USER MOD reduce.3.24.130724 H: found=0, std=0, add=1658, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1653 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: B 97 THR OG1 : rot 180:sc= -0.336 USER MOD Set 1.2: B 100 MET CE :methyl -144:sc=-0.000661 (180deg=-0.21) USER MOD Set 2.1: B 56 HIS : no HE2:sc= -1.77! C(o=3.2!,f=-7.4!) USER MOD Set 2.2: B 85 THR OG1 : rot -43:sc= 1.61 USER MOD Set 2.3: B 88 SER OG : rot -126:sc= 3.4 USER MOD Set 3.1: B 21 THR OG1 : rot 120:sc= -0.0184 USER MOD Set 3.2: B 36 ASN : amide:sc= -0.512! X(o=-0.53!,f=-0.97) USER MOD Set 4.1: B 10 HIS : no HD1:sc= 0.439 K(o=1.5,f=-4.2!) USER MOD Set 4.2: B 20 THR OG1 : rot -86:sc= 1.09 USER MOD Set 5.1: A 49 THR OG1 : rot -114:sc= 1.43 USER MOD Set 5.2: A 78 THR OG1 : rot 180:sc= 0.678 USER MOD Set 5.3: A 104 HEC O2D : rot 8:sc= 1.88 USER MOD Set 6.1: A 63 ASN : amide:sc= -0.978 K(o=-0.13,f=-8.7!) USER MOD Set 6.2: A 74 TYR OH : rot 118:sc= 0.847 USER MOD Set 7.1: A 52 ASN : amide:sc= -0.557 K(o=-1.6,f=-5.6!) USER MOD Set 7.2: A 104 HEC O2A : rot 27:sc= -1.06 USER MOD Set 8.1: A 46 TYR OH : rot 29:sc= 1.18 USER MOD Set 8.2: A 79 LYS NZ :NH3+ 131:sc= 1.15 (180deg=0.783) USER MOD Set 9.1: A 19 THR OG1 : rot -119:sc= 1.79 USER MOD Set 9.2: A 31 ASN : amide:sc= 1.65 K(o=3.4,f=-1.2!) USER MOD Set10.1: A -4 THR OG1 : rot -15:sc= -2.17 USER MOD Set10.2: A 62 ASN : amide:sc= -3.33! C(o=-5.5!,f=-10!) USER MOD Single : A 2 SER OG : rot 170:sc= 0.536 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.432 (180deg=-1.09) USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.351 USER MOD Single : A -1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 THR N :NH3+ -153:sc= 0.0367 (180deg=-0.414) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -80:sc= 0.903 USER MOD Single : A 16 GLN :FLIP amide:sc= -2.57! C(o=-3.7!,f=-2.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 1.96 K(o=2,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.863 (180deg=0.802) USER MOD Single : A 33 HIS : no HE2:sc= 1.11 K(o=1.1,f=-6.3!) USER MOD Single : A 39 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-0.74) USER MOD Single : A 40 SER OG : rot 116:sc= 0.738 USER MOD Single : A 42 GLN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -26:sc= 1.04 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0.798 (180deg=0.782) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.121 F(o=-0.73,f=-0.12) USER MOD Single : A 64 MET CE :methyl 152:sc= -0.25 (180deg=-1.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0.69 USER MOD Single : A 67 TYR OH : rot -131:sc= 1.05 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0696 K(o=-0.07,f=-2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.906 (180deg=-0.917) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0.553! (180deg=0.553!) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= -0.0624 (180deg=-0.21) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.857 K(o=-0.86,f=-1.9!) USER MOD Single : A 96 THR OG1 : rot 92:sc= 1.51 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -3.79! (180deg=-5.43!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 107:sc= 0.272 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 ASN : amide:sc= 0.526 K(o=0.53,f=-5.7!) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0.475 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 37 ASN : amide:sc=-0.00269 X(o=-0.0027,f=-0.11) USER MOD Single : B 49 THR OG1 : rot -13:sc= 0.496 USER MOD Single : B 53 SER OG : rot -134:sc= 0 USER MOD Single : B 54 THR OG1 : rot -69:sc= 1.8 USER MOD Single : B 61 GLN : amide:sc= 0.29 K(o=0.29,f=-0.71) USER MOD Single : B 62 HIS : no HD1:sc= 0.0706 K(o=0.071,f=-0.72) USER MOD Single : B 66 LYS NZ :NH3+ 143:sc= -0.217 (180deg=-1.35!) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0658 USER MOD Single : B 75 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 77 MET CE :methyl -113:sc= -1.54 (180deg=-3.37) USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 GLN : amide:sc= 0.593 K(o=0.59,f=-0.049) USER MOD Single : B 95 SER OG : rot 153:sc= -3.56! USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 ASN : amide:sc=-0.00912 X(o=-0.0091,f=-0.0091) USER MOD Single : B 103 MET CE :methyl -179:sc= 0 (180deg=-0.00134) USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -4 -18.536 14.327 -5.257 1.00 0.00 N ATOM 2 CA THR A -4 -17.237 13.881 -5.918 1.00 0.00 C ATOM 3 C THR A -4 -17.708 12.888 -7.000 1.00 0.00 C ATOM 4 O THR A -4 -18.635 13.219 -7.774 1.00 0.00 O ATOM 5 CB THR A -4 -16.278 13.379 -4.842 1.00 0.00 C ATOM 6 OG1 THR A -4 -16.768 12.267 -4.098 1.00 0.00 O ATOM 7 CG2 THR A -4 -15.901 14.443 -3.814 1.00 0.00 C ATOM 0 H1 THR A -4 -18.414 15.280 -4.859 1.00 0.00 H new ATOM 0 H2 THR A -4 -19.298 14.343 -5.965 1.00 0.00 H new ATOM 0 H3 THR A -4 -18.784 13.663 -4.496 1.00 0.00 H new ATOM 0 HA THR A -4 -16.640 14.648 -6.411 1.00 0.00 H new ATOM 0 HB THR A -4 -15.409 13.085 -5.430 1.00 0.00 H new ATOM 0 HG1 THR A -4 -17.732 12.174 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A -4 -15.217 14.015 -3.081 1.00 0.00 H new ATOM 0 HG22 THR A -4 -15.416 15.279 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A -4 -16.800 14.796 -3.309 1.00 0.00 H new ATOM 17 N GLU A -3 -17.158 11.707 -6.917 1.00 0.00 N ATOM 18 CA GLU A -3 -17.509 10.522 -7.738 1.00 0.00 C ATOM 19 C GLU A -3 -17.182 9.338 -6.803 1.00 0.00 C ATOM 20 O GLU A -3 -16.812 8.219 -7.221 1.00 0.00 O ATOM 21 CB GLU A -3 -16.684 10.446 -8.992 1.00 0.00 C ATOM 22 CG GLU A -3 -16.765 11.672 -9.928 1.00 0.00 C ATOM 23 CD GLU A -3 -16.059 11.508 -11.243 1.00 0.00 C ATOM 24 OE1 GLU A -3 -16.109 10.263 -11.669 1.00 0.00 O ATOM 25 OE2 GLU A -3 -15.539 12.483 -11.744 1.00 0.00 O ATOM 0 H GLU A -3 -16.413 11.509 -6.249 1.00 0.00 H new ATOM 0 HA GLU A -3 -18.545 10.542 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A -3 -15.642 10.297 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A -3 -16.992 9.564 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A -3 -17.814 11.896 -10.120 1.00 0.00 H new ATOM 0 HG3 GLU A -3 -16.345 12.535 -9.411 1.00 0.00 H new ATOM 32 N PHE A -2 -17.282 9.670 -5.529 1.00 0.00 N ATOM 33 CA PHE A -2 -16.978 8.925 -4.325 1.00 0.00 C ATOM 34 C PHE A -2 -18.054 9.279 -3.283 1.00 0.00 C ATOM 35 O PHE A -2 -18.184 10.528 -3.083 1.00 0.00 O ATOM 36 CB PHE A -2 -15.610 9.417 -3.711 1.00 0.00 C ATOM 37 CG PHE A -2 -15.512 8.960 -2.304 1.00 0.00 C ATOM 38 CD1 PHE A -2 -15.286 7.598 -2.034 1.00 0.00 C ATOM 39 CD2 PHE A -2 -15.740 9.812 -1.246 1.00 0.00 C ATOM 40 CE1 PHE A -2 -15.251 7.118 -0.730 1.00 0.00 C ATOM 41 CE2 PHE A -2 -15.769 9.360 0.076 1.00 0.00 C ATOM 42 CZ PHE A -2 -15.518 7.976 0.322 1.00 0.00 C ATOM 0 H PHE A -2 -17.627 10.598 -5.285 1.00 0.00 H new ATOM 0 HA PHE A -2 -16.936 7.862 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A -2 -14.775 9.024 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A -2 -15.547 10.504 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE A -2 -15.137 6.913 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A -2 -15.901 10.861 -1.444 1.00 0.00 H new ATOM 0 HE1 PHE A -2 -15.017 6.081 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A -2 -15.976 10.039 0.890 1.00 0.00 H new ATOM 0 HZ PHE A -2 -15.537 7.597 1.333 1.00 0.00 H new ATOM 52 N LYS A -1 -18.642 8.298 -2.627 1.00 0.00 N ATOM 53 CA LYS A -1 -19.652 8.556 -1.596 1.00 0.00 C ATOM 54 C LYS A -1 -19.317 7.646 -0.415 1.00 0.00 C ATOM 55 O LYS A -1 -18.774 6.554 -0.631 1.00 0.00 O ATOM 56 CB LYS A -1 -21.079 8.275 -1.976 1.00 0.00 C ATOM 57 CG LYS A -1 -21.747 9.412 -2.775 1.00 0.00 C ATOM 58 CD LYS A -1 -23.281 9.219 -2.889 1.00 0.00 C ATOM 59 CE LYS A -1 -23.670 7.989 -3.679 1.00 0.00 C ATOM 60 NZ LYS A -1 -23.421 8.179 -5.140 1.00 0.00 N ATOM 0 H LYS A -1 -18.443 7.310 -2.783 1.00 0.00 H new ATOM 0 HA LYS A -1 -19.606 9.626 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A -1 -21.114 7.360 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A -1 -21.657 8.092 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A -1 -21.537 10.366 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A -1 -21.312 9.457 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A -1 -23.707 9.150 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A -1 -23.717 10.099 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A -1 -23.103 7.130 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A -1 -24.724 7.767 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A -1 -23.698 7.318 -5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A -1 -23.981 8.984 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A -1 -22.410 8.367 -5.298 1.00 0.00 H new ATOM 74 N ALA A 0 -19.711 8.127 0.755 1.00 0.00 N ATOM 75 CA ALA A 0 -19.429 7.438 2.020 1.00 0.00 C ATOM 76 C ALA A 0 -20.132 6.074 2.068 1.00 0.00 C ATOM 77 O ALA A 0 -21.280 5.969 1.582 1.00 0.00 O ATOM 78 CB ALA A 0 -19.793 8.211 3.265 1.00 0.00 C ATOM 0 H ALA A 0 -20.231 8.998 0.862 1.00 0.00 H new ATOM 0 HA ALA A 0 -18.345 7.325 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 0 -19.547 7.618 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 0 -19.234 9.146 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 0 -20.861 8.427 3.260 1.00 0.00 H new ATOM 84 N GLY A 1 -19.471 5.185 2.812 1.00 0.00 N ATOM 85 CA GLY A 1 -19.933 3.846 3.009 1.00 0.00 C ATOM 86 C GLY A 1 -19.852 3.598 4.485 1.00 0.00 C ATOM 87 O GLY A 1 -20.063 4.457 5.389 1.00 0.00 O ATOM 0 H GLY A 1 -18.595 5.394 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.955 3.728 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.317 3.135 2.459 1.00 0.00 H new ATOM 91 N SER A 2 -19.551 2.372 4.798 1.00 0.00 N ATOM 92 CA SER A 2 -19.474 1.832 6.131 1.00 0.00 C ATOM 93 C SER A 2 -17.986 1.860 6.542 1.00 0.00 C ATOM 94 O SER A 2 -17.172 1.048 6.072 1.00 0.00 O ATOM 95 CB SER A 2 -20.005 0.392 6.176 1.00 0.00 C ATOM 96 OG SER A 2 -19.810 -0.040 7.465 1.00 0.00 O ATOM 0 H SER A 2 -19.338 1.674 4.085 1.00 0.00 H new ATOM 0 HA SER A 2 -20.086 2.422 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.061 0.356 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.474 -0.243 5.467 1.00 0.00 H new ATOM 0 HG SER A 2 -20.274 -0.893 7.598 1.00 0.00 H new ATOM 102 N ALA A 3 -17.771 2.681 7.573 1.00 0.00 N ATOM 103 CA ALA A 3 -16.425 2.725 8.187 1.00 0.00 C ATOM 104 C ALA A 3 -16.164 1.393 8.878 1.00 0.00 C ATOM 105 O ALA A 3 -14.988 0.982 9.020 1.00 0.00 O ATOM 106 CB ALA A 3 -16.244 3.829 9.199 1.00 0.00 C ATOM 0 H ALA A 3 -18.467 3.299 7.990 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.721 2.921 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.232 3.792 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.408 4.794 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.961 3.701 10.010 1.00 0.00 H new ATOM 112 N LYS A 4 -17.128 0.759 9.451 1.00 0.00 N ATOM 113 CA LYS A 4 -16.858 -0.491 10.162 1.00 0.00 C ATOM 114 C LYS A 4 -16.469 -1.497 9.061 1.00 0.00 C ATOM 115 O LYS A 4 -15.642 -2.337 9.301 1.00 0.00 O ATOM 116 CB LYS A 4 -17.973 -1.158 10.933 1.00 0.00 C ATOM 117 CG LYS A 4 -18.474 -0.136 11.982 1.00 0.00 C ATOM 118 CD LYS A 4 -19.669 -0.669 12.720 1.00 0.00 C ATOM 119 CE LYS A 4 -19.981 0.478 13.706 1.00 0.00 C ATOM 120 NZ LYS A 4 -21.091 0.016 14.585 1.00 0.00 N ATOM 0 H LYS A 4 -18.103 1.060 9.455 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.121 -0.227 10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.782 -1.452 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.616 -2.066 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.675 0.087 12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.734 0.800 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.505 -0.869 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.445 -1.602 13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.100 0.726 14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.268 1.381 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.330 0.765 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.925 -0.203 14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.794 -0.837 15.100 1.00 0.00 H new ATOM 134 N LYS A 5 -17.277 -1.530 8.011 1.00 0.00 N ATOM 135 CA LYS A 5 -16.966 -2.513 6.931 1.00 0.00 C ATOM 136 C LYS A 5 -15.566 -2.276 6.385 1.00 0.00 C ATOM 137 O LYS A 5 -14.768 -3.207 6.079 1.00 0.00 O ATOM 138 CB LYS A 5 -17.956 -2.257 5.816 1.00 0.00 C ATOM 139 CG LYS A 5 -18.103 -3.253 4.706 1.00 0.00 C ATOM 140 CD LYS A 5 -19.434 -3.997 4.730 1.00 0.00 C ATOM 141 CE LYS A 5 -19.330 -5.311 3.942 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.989 -5.952 4.003 1.00 0.00 N ATOM 0 H LYS A 5 -18.099 -0.944 7.867 1.00 0.00 H new ATOM 0 HA LYS A 5 -17.026 -3.531 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.937 -2.134 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.694 -1.301 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -18.000 -2.738 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.290 -3.976 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -19.722 -4.206 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -20.216 -3.370 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.073 -6.011 4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.581 -5.117 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.059 -6.936 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.327 -5.430 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.642 -5.939 4.983 1.00 0.00 H new ATOM 156 N GLY A 6 -15.255 -1.031 6.259 1.00 0.00 N ATOM 157 CA GLY A 6 -13.935 -0.433 5.768 1.00 0.00 C ATOM 158 C GLY A 6 -12.854 -0.838 6.716 1.00 0.00 C ATOM 159 O GLY A 6 -11.774 -1.228 6.124 1.00 0.00 O ATOM 0 H GLY A 6 -15.926 -0.301 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.709 -0.786 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -14.007 0.653 5.716 1.00 0.00 H new ATOM 163 N ALA A 7 -13.045 -0.912 7.988 1.00 0.00 N ATOM 164 CA ALA A 7 -12.039 -1.341 8.986 1.00 0.00 C ATOM 165 C ALA A 7 -11.678 -2.779 8.700 1.00 0.00 C ATOM 166 O ALA A 7 -10.449 -2.991 8.827 1.00 0.00 O ATOM 167 CB ALA A 7 -12.420 -1.198 10.455 1.00 0.00 C ATOM 0 H ALA A 7 -13.940 -0.670 8.414 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.203 -0.652 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.598 -1.547 11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.626 -0.151 10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -13.309 -1.794 10.660 1.00 0.00 H new ATOM 173 N THR A 8 -12.612 -3.618 8.432 1.00 0.00 N ATOM 174 CA THR A 8 -12.330 -5.067 8.219 1.00 0.00 C ATOM 175 C THR A 8 -11.730 -5.315 6.842 1.00 0.00 C ATOM 176 O THR A 8 -10.984 -6.295 6.698 1.00 0.00 O ATOM 177 CB THR A 8 -13.490 -6.020 8.578 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.489 -5.808 7.578 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.168 -5.818 9.940 1.00 0.00 C ATOM 0 H THR A 8 -13.596 -3.364 8.346 1.00 0.00 H new ATOM 0 HA THR A 8 -11.571 -5.333 8.954 1.00 0.00 H new ATOM 0 HB THR A 8 -13.057 -7.019 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.405 -4.900 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.964 -6.553 10.063 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.433 -5.943 10.735 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.590 -4.814 9.991 1.00 0.00 H new ATOM 187 N LEU A 9 -12.048 -4.406 5.953 1.00 0.00 N ATOM 188 CA LEU A 9 -11.414 -4.465 4.636 1.00 0.00 C ATOM 189 C LEU A 9 -9.950 -4.160 4.887 1.00 0.00 C ATOM 190 O LEU A 9 -9.034 -4.842 4.351 1.00 0.00 O ATOM 191 CB LEU A 9 -11.933 -3.475 3.593 1.00 0.00 C ATOM 192 CG LEU A 9 -12.061 -4.056 2.172 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.136 -5.106 2.166 1.00 0.00 C ATOM 194 CD2 LEU A 9 -12.347 -3.043 1.079 1.00 0.00 C ATOM 0 H LEU A 9 -12.711 -3.644 6.095 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.627 -5.447 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.909 -3.109 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.264 -2.615 3.562 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.081 -4.469 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.233 -5.522 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.873 -5.900 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.084 -4.658 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.418 -3.554 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.288 -2.535 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.540 -2.311 1.041 1.00 0.00 H new ATOM 206 N PHE A 10 -9.667 -3.147 5.610 1.00 0.00 N ATOM 207 CA PHE A 10 -8.244 -2.736 5.928 1.00 0.00 C ATOM 208 C PHE A 10 -7.470 -3.868 6.483 1.00 0.00 C ATOM 209 O PHE A 10 -6.407 -4.347 6.080 1.00 0.00 O ATOM 210 CB PHE A 10 -8.151 -1.483 6.733 1.00 0.00 C ATOM 211 CG PHE A 10 -6.688 -1.022 6.866 1.00 0.00 C ATOM 212 CD1 PHE A 10 -5.849 -1.499 7.847 1.00 0.00 C ATOM 213 CD2 PHE A 10 -6.193 -0.187 5.889 1.00 0.00 C ATOM 214 CE1 PHE A 10 -4.573 -0.964 7.979 1.00 0.00 C ATOM 215 CE2 PHE A 10 -4.863 0.296 5.929 1.00 0.00 C ATOM 216 CZ PHE A 10 -4.068 -0.112 6.985 1.00 0.00 C ATOM 0 H PHE A 10 -10.374 -2.541 6.026 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.769 -2.472 4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.742 -0.698 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.575 -1.650 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.180 -2.284 8.510 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.836 0.107 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.972 -1.203 8.844 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.484 0.958 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.045 0.230 7.045 1.00 0.00 H new ATOM 226 N LYS A 11 -8.078 -4.499 7.531 1.00 0.00 N ATOM 227 CA LYS A 11 -7.469 -5.630 8.241 1.00 0.00 C ATOM 228 C LYS A 11 -7.191 -6.750 7.317 1.00 0.00 C ATOM 229 O LYS A 11 -6.063 -7.265 7.244 1.00 0.00 O ATOM 230 CB LYS A 11 -8.254 -6.069 9.422 1.00 0.00 C ATOM 231 CG LYS A 11 -8.131 -5.078 10.593 1.00 0.00 C ATOM 232 CD LYS A 11 -8.997 -5.609 11.776 1.00 0.00 C ATOM 233 CE LYS A 11 -10.008 -4.574 12.226 1.00 0.00 C ATOM 234 NZ LYS A 11 -10.525 -4.821 13.572 1.00 0.00 N ATOM 0 H LYS A 11 -8.993 -4.230 7.892 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.517 -5.274 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.303 -6.173 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.910 -7.053 9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.090 -4.979 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.469 -4.087 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.515 -6.518 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.350 -5.876 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.546 -3.587 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.840 -4.558 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.211 -4.080 13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.993 -5.749 13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.739 -4.809 14.253 1.00 0.00 H new ATOM 248 N THR A 12 -8.108 -7.201 6.524 1.00 0.00 N ATOM 249 CA THR A 12 -7.840 -8.319 5.607 1.00 0.00 C ATOM 250 C THR A 12 -7.033 -7.994 4.393 1.00 0.00 C ATOM 251 O THR A 12 -6.547 -8.942 3.768 1.00 0.00 O ATOM 252 CB THR A 12 -9.199 -9.002 5.266 1.00 0.00 C ATOM 253 OG1 THR A 12 -10.089 -8.048 4.661 1.00 0.00 O ATOM 254 CG2 THR A 12 -9.928 -9.669 6.415 1.00 0.00 C ATOM 0 H THR A 12 -9.056 -6.829 6.475 1.00 0.00 H new ATOM 0 HA THR A 12 -7.181 -9.011 6.131 1.00 0.00 H new ATOM 0 HB THR A 12 -8.921 -9.809 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.503 -7.498 5.359 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.858 -10.107 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.300 -10.452 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.152 -8.928 7.183 1.00 0.00 H new ATOM 262 N ARG A 13 -6.993 -6.785 3.882 1.00 0.00 N ATOM 263 CA ARG A 13 -6.320 -6.445 2.618 1.00 0.00 C ATOM 264 C ARG A 13 -5.157 -5.499 2.668 1.00 0.00 C ATOM 265 O ARG A 13 -4.287 -5.541 1.757 1.00 0.00 O ATOM 266 CB ARG A 13 -7.311 -5.791 1.590 1.00 0.00 C ATOM 267 CG ARG A 13 -8.613 -6.609 1.505 1.00 0.00 C ATOM 268 CD ARG A 13 -8.377 -7.622 0.412 1.00 0.00 C ATOM 269 NE ARG A 13 -8.834 -7.033 -0.850 1.00 0.00 N ATOM 270 CZ ARG A 13 -8.596 -7.613 -2.019 1.00 0.00 C ATOM 271 NH1 ARG A 13 -7.725 -8.616 -2.151 1.00 0.00 N ATOM 272 NH2 ARG A 13 -9.177 -7.088 -3.091 1.00 0.00 N ATOM 0 H ARG A 13 -7.433 -5.982 4.332 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.943 -7.427 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.536 -4.768 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.843 -5.738 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.833 -7.098 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.464 -5.970 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.320 -7.880 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.919 -8.544 0.622 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.349 -6.153 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.217 -8.961 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.568 -9.038 -3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.779 -6.270 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.021 -7.502 -4.010 1.00 0.00 H new ATOM 286 N CYS A 14 -5.050 -4.680 3.665 1.00 0.00 N ATOM 287 CA CYS A 14 -3.962 -3.716 3.789 1.00 0.00 C ATOM 288 C CYS A 14 -2.987 -3.843 4.989 1.00 0.00 C ATOM 289 O CYS A 14 -1.886 -3.345 4.872 1.00 0.00 O ATOM 290 CB CYS A 14 -4.430 -2.302 3.787 1.00 0.00 C ATOM 291 SG CYS A 14 -5.896 -1.904 2.767 1.00 0.00 S ATOM 0 H CYS A 14 -5.717 -4.648 4.436 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.400 -3.985 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.648 -2.018 4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.605 -1.674 3.451 1.00 0.00 H new ATOM 296 N LEU A 15 -3.431 -4.348 6.094 1.00 0.00 N ATOM 297 CA LEU A 15 -2.753 -4.474 7.382 1.00 0.00 C ATOM 298 C LEU A 15 -1.420 -5.311 7.236 1.00 0.00 C ATOM 299 O LEU A 15 -0.496 -4.961 7.987 1.00 0.00 O ATOM 300 CB LEU A 15 -3.669 -5.044 8.441 1.00 0.00 C ATOM 301 CG LEU A 15 -3.045 -5.175 9.815 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.008 -3.804 10.362 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.829 -6.148 10.630 1.00 0.00 C ATOM 0 H LEU A 15 -4.376 -4.728 6.141 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.477 -3.474 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.552 -4.410 8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.009 -6.027 8.116 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.032 -5.578 9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.567 -3.822 11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.408 -3.169 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.022 -3.408 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.379 -6.241 11.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.855 -5.795 10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.827 -7.120 10.137 1.00 0.00 H new ATOM 315 N GLN A 16 -1.438 -6.154 6.283 1.00 0.00 N ATOM 316 CA GLN A 16 -0.201 -6.978 6.044 1.00 0.00 C ATOM 317 C GLN A 16 0.959 -6.035 5.773 1.00 0.00 C ATOM 318 O GLN A 16 2.076 -6.486 6.241 1.00 0.00 O ATOM 319 CB GLN A 16 -0.413 -7.958 4.930 1.00 0.00 C ATOM 320 CG GLN A 16 0.839 -8.682 4.434 1.00 0.00 C ATOM 321 CD GLN A 16 0.562 -9.154 2.997 1.00 0.00 C ATOM 322 OE1 GLN A 16 1.600 -9.698 2.415 1.00 0.00 O flip ATOM 323 NE2 GLN A 16 -0.580 -9.062 2.479 1.00 0.00 N flip ATOM 0 H GLN A 16 -2.223 -6.328 5.655 1.00 0.00 H new ATOM 0 HA GLN A 16 0.030 -7.573 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.135 -8.705 5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.863 -7.431 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.702 -8.016 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.072 -9.530 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.341 -8.623 2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.745 -9.426 1.541 1.00 0.00 H new ATOM 332 N CYS A 17 0.711 -4.878 5.200 1.00 0.00 N ATOM 333 CA CYS A 17 1.793 -4.018 4.817 1.00 0.00 C ATOM 334 C CYS A 17 1.925 -2.661 5.413 1.00 0.00 C ATOM 335 O CYS A 17 2.836 -1.849 5.228 1.00 0.00 O ATOM 336 CB CYS A 17 1.729 -3.883 3.267 1.00 0.00 C ATOM 337 SG CYS A 17 2.129 -5.488 2.464 1.00 0.00 S ATOM 0 H CYS A 17 -0.221 -4.520 4.994 1.00 0.00 H new ATOM 0 HA CYS A 17 2.673 -4.515 5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.734 -3.557 2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.430 -3.118 2.933 1.00 0.00 H new ATOM 342 N HIS A 18 0.767 -2.214 6.020 1.00 0.00 N ATOM 343 CA HIS A 18 0.592 -0.837 6.521 1.00 0.00 C ATOM 344 C HIS A 18 -0.117 -0.725 7.863 1.00 0.00 C ATOM 345 O HIS A 18 -0.932 -1.539 8.274 1.00 0.00 O ATOM 346 CB HIS A 18 -0.313 -0.034 5.574 1.00 0.00 C ATOM 347 CG HIS A 18 0.079 0.225 4.144 1.00 0.00 C ATOM 348 ND1 HIS A 18 0.890 1.238 3.777 1.00 0.00 N ATOM 349 CD2 HIS A 18 -0.319 -0.404 2.981 1.00 0.00 C ATOM 350 CE1 HIS A 18 1.034 1.217 2.536 1.00 0.00 C ATOM 351 NE2 HIS A 18 0.277 0.241 1.951 1.00 0.00 N ATOM 0 H HIS A 18 -0.050 -2.807 6.164 1.00 0.00 H new ATOM 0 HA HIS A 18 1.615 -0.469 6.602 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.277 -0.541 5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.475 0.938 6.039 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.317 1.913 4.411 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.983 -1.253 2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.679 1.890 1.991 1.00 0.00 H new ATOM 359 N THR A 19 0.272 0.339 8.511 1.00 0.00 N ATOM 360 CA THR A 19 -0.376 0.811 9.784 1.00 0.00 C ATOM 361 C THR A 19 -1.074 2.159 9.469 1.00 0.00 C ATOM 362 O THR A 19 -0.750 2.788 8.487 1.00 0.00 O ATOM 363 CB THR A 19 0.639 0.920 10.942 1.00 0.00 C ATOM 364 OG1 THR A 19 1.565 1.895 10.581 1.00 0.00 O ATOM 365 CG2 THR A 19 1.302 -0.438 11.139 1.00 0.00 C ATOM 0 H THR A 19 1.044 0.929 8.202 1.00 0.00 H new ATOM 0 HA THR A 19 -1.114 0.087 10.130 1.00 0.00 H new ATOM 0 HB THR A 19 0.166 1.200 11.883 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.459 1.496 10.534 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.022 -0.376 11.955 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.543 -1.182 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.816 -0.728 10.223 1.00 0.00 H new ATOM 373 N VAL A 20 -2.081 2.488 10.282 1.00 0.00 N ATOM 374 CA VAL A 20 -2.768 3.764 10.070 1.00 0.00 C ATOM 375 C VAL A 20 -2.667 4.776 11.204 1.00 0.00 C ATOM 376 O VAL A 20 -2.921 5.984 11.023 1.00 0.00 O ATOM 377 CB VAL A 20 -4.255 3.518 9.724 1.00 0.00 C ATOM 378 CG1 VAL A 20 -4.639 2.759 8.538 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.931 2.785 10.862 1.00 0.00 C ATOM 0 H VAL A 20 -2.426 1.921 11.056 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.235 4.222 9.237 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.561 4.545 9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.726 2.702 8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.253 3.255 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.226 1.752 8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.978 2.614 10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.435 1.828 11.023 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.867 3.385 11.770 1.00 0.00 H new ATOM 389 N GLU A 21 -2.285 4.289 12.314 1.00 0.00 N ATOM 390 CA GLU A 21 -2.233 5.099 13.534 1.00 0.00 C ATOM 391 C GLU A 21 -1.112 6.112 13.560 1.00 0.00 C ATOM 392 O GLU A 21 -0.026 5.947 13.094 1.00 0.00 O ATOM 393 CB GLU A 21 -2.080 4.188 14.754 1.00 0.00 C ATOM 394 CG GLU A 21 -0.879 3.228 14.562 1.00 0.00 C ATOM 395 CD GLU A 21 -1.251 1.874 13.986 1.00 0.00 C ATOM 396 OE1 GLU A 21 -2.339 1.718 13.433 1.00 0.00 O ATOM 397 OE2 GLU A 21 -0.294 0.993 14.256 1.00 0.00 O ATOM 0 H GLU A 21 -1.992 3.320 12.439 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.171 5.655 13.555 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.933 4.791 15.650 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.994 3.613 14.904 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.151 3.702 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.390 3.079 15.525 1.00 0.00 H new ATOM 404 N LYS A 22 -1.390 7.205 14.252 1.00 0.00 N ATOM 405 CA LYS A 22 -0.344 8.254 14.450 1.00 0.00 C ATOM 406 C LYS A 22 0.725 7.627 15.300 1.00 0.00 C ATOM 407 O LYS A 22 0.422 7.076 16.332 1.00 0.00 O ATOM 408 CB LYS A 22 -1.005 9.339 15.262 1.00 0.00 C ATOM 409 CG LYS A 22 -0.196 10.282 16.110 1.00 0.00 C ATOM 410 CD LYS A 22 -0.137 11.552 15.323 1.00 0.00 C ATOM 411 CE LYS A 22 0.807 12.577 15.992 1.00 0.00 C ATOM 412 NZ LYS A 22 1.352 13.424 14.914 1.00 0.00 N ATOM 0 H LYS A 22 -2.293 7.407 14.682 1.00 0.00 H new ATOM 0 HA LYS A 22 0.066 8.638 13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.580 9.950 14.567 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.720 8.850 15.924 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.664 10.441 17.081 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.802 9.887 16.298 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.209 11.341 14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.137 11.977 15.236 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.267 13.180 16.722 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.609 12.070 16.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.996 14.132 15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.873 12.831 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.572 13.907 14.424 1.00 0.00 H new ATOM 426 N GLY A 23 1.992 7.671 14.866 1.00 0.00 N ATOM 427 CA GLY A 23 3.010 6.993 15.715 1.00 0.00 C ATOM 428 C GLY A 23 3.162 5.519 15.451 1.00 0.00 C ATOM 429 O GLY A 23 3.838 4.793 16.229 1.00 0.00 O ATOM 0 H GLY A 23 2.328 8.121 14.015 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.974 7.478 15.561 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.745 7.136 16.762 1.00 0.00 H new ATOM 433 N GLY A 24 2.486 5.042 14.406 1.00 0.00 N ATOM 434 CA GLY A 24 2.528 3.684 13.883 1.00 0.00 C ATOM 435 C GLY A 24 3.834 3.660 13.003 1.00 0.00 C ATOM 436 O GLY A 24 4.213 4.663 12.382 1.00 0.00 O ATOM 0 H GLY A 24 1.854 5.636 13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.573 2.948 14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.642 3.456 13.290 1.00 0.00 H new ATOM 440 N PRO A 25 4.403 2.480 13.002 1.00 0.00 N ATOM 441 CA PRO A 25 5.584 2.312 12.181 1.00 0.00 C ATOM 442 C PRO A 25 5.342 1.996 10.751 1.00 0.00 C ATOM 443 O PRO A 25 4.355 1.445 10.251 1.00 0.00 O ATOM 444 CB PRO A 25 6.289 1.091 12.876 1.00 0.00 C ATOM 445 CG PRO A 25 5.154 0.222 13.278 1.00 0.00 C ATOM 446 CD PRO A 25 4.071 1.257 13.732 1.00 0.00 C ATOM 0 HA PRO A 25 6.149 3.243 12.132 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.967 0.577 12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.880 1.405 13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.803 -0.394 12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.430 -0.456 14.086 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.066 0.911 13.490 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.103 1.417 14.810 1.00 0.00 H new ATOM 454 N HIS A 26 6.411 2.239 9.934 1.00 0.00 N ATOM 455 CA HIS A 26 6.494 1.763 8.560 1.00 0.00 C ATOM 456 C HIS A 26 6.648 0.265 8.668 1.00 0.00 C ATOM 457 O HIS A 26 7.438 -0.184 9.580 1.00 0.00 O ATOM 458 CB HIS A 26 7.593 2.410 7.749 1.00 0.00 C ATOM 459 CG HIS A 26 7.564 3.906 7.650 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.334 4.563 7.411 1.00 0.00 N ATOM 461 CD2 HIS A 26 8.545 4.866 7.710 1.00 0.00 C ATOM 462 CE1 HIS A 26 6.596 5.812 7.392 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.975 6.094 7.520 1.00 0.00 N ATOM 0 H HIS A 26 7.228 2.773 10.231 1.00 0.00 H new ATOM 0 HA HIS A 26 5.597 2.039 8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.551 2.116 8.178 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.557 2.001 6.739 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.595 4.681 7.880 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.840 6.576 7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.437 7.002 7.480 1.00 0.00 H new ATOM 471 N LYS A 27 6.073 -0.403 7.680 1.00 0.00 N ATOM 472 CA LYS A 27 6.351 -1.879 7.566 1.00 0.00 C ATOM 473 C LYS A 27 6.901 -2.098 6.193 1.00 0.00 C ATOM 474 O LYS A 27 7.785 -1.333 5.707 1.00 0.00 O ATOM 475 CB LYS A 27 5.116 -2.619 8.038 1.00 0.00 C ATOM 476 CG LYS A 27 4.754 -2.277 9.476 1.00 0.00 C ATOM 477 CD LYS A 27 3.730 -3.252 10.042 1.00 0.00 C ATOM 478 CE LYS A 27 2.566 -3.541 9.156 1.00 0.00 C ATOM 479 NZ LYS A 27 1.451 -4.078 9.968 1.00 0.00 N ATOM 0 H LYS A 27 5.449 -0.008 6.976 1.00 0.00 H new ATOM 0 HA LYS A 27 7.121 -2.299 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.277 -2.375 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.283 -3.693 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.653 -2.294 10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.356 -1.263 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.234 -4.191 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.357 -2.854 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.252 -2.632 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.850 -4.260 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.705 -4.437 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.800 -4.852 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.064 -3.322 10.568 1.00 0.00 H new ATOM 493 N CYS A 28 6.280 -3.066 5.451 1.00 0.00 N ATOM 494 CA CYS A 28 6.533 -3.216 4.022 1.00 0.00 C ATOM 495 C CYS A 28 6.222 -1.926 3.310 1.00 0.00 C ATOM 496 O CYS A 28 6.940 -1.388 2.426 1.00 0.00 O ATOM 497 CB CYS A 28 5.645 -4.369 3.546 1.00 0.00 C ATOM 498 SG CYS A 28 6.194 -5.040 1.934 1.00 0.00 S ATOM 0 H CYS A 28 5.612 -3.736 5.833 1.00 0.00 H new ATOM 0 HA CYS A 28 7.578 -3.441 3.809 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.654 -5.164 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.615 -4.022 3.462 1.00 0.00 H new ATOM 503 N GLY A 29 4.985 -1.448 3.675 1.00 0.00 N ATOM 504 CA GLY A 29 4.523 -0.143 3.258 1.00 0.00 C ATOM 505 C GLY A 29 4.601 0.894 4.371 1.00 0.00 C ATOM 506 O GLY A 29 4.758 0.614 5.547 1.00 0.00 O ATOM 0 H GLY A 29 4.321 -1.966 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.119 0.195 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.492 -0.221 2.912 1.00 0.00 H new ATOM 510 N PRO A 30 4.495 2.198 3.949 1.00 0.00 N ATOM 511 CA PRO A 30 4.595 3.267 4.898 1.00 0.00 C ATOM 512 C PRO A 30 3.354 3.434 5.796 1.00 0.00 C ATOM 513 O PRO A 30 2.327 3.018 5.355 1.00 0.00 O ATOM 514 CB PRO A 30 4.733 4.521 4.099 1.00 0.00 C ATOM 515 CG PRO A 30 4.188 4.205 2.760 1.00 0.00 C ATOM 516 CD PRO A 30 4.350 2.691 2.581 1.00 0.00 C ATOM 0 HA PRO A 30 5.435 3.050 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.185 5.342 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.776 4.831 4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.140 4.496 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.725 4.749 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.485 2.251 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.222 2.450 1.973 1.00 0.00 H new ATOM 524 N ASN A 31 3.618 3.935 6.937 1.00 0.00 N ATOM 525 CA ASN A 31 2.498 4.291 7.852 1.00 0.00 C ATOM 526 C ASN A 31 1.674 5.302 7.025 1.00 0.00 C ATOM 527 O ASN A 31 2.222 6.159 6.326 1.00 0.00 O ATOM 528 CB ASN A 31 2.965 4.820 9.186 1.00 0.00 C ATOM 529 CG ASN A 31 1.808 5.539 9.957 1.00 0.00 C ATOM 530 OD1 ASN A 31 1.715 6.794 9.834 1.00 0.00 O ATOM 531 ND2 ASN A 31 1.123 4.666 10.676 1.00 0.00 N ATOM 0 H ASN A 31 4.555 4.121 7.295 1.00 0.00 H new ATOM 0 HA ASN A 31 1.903 3.428 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.350 3.998 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.789 5.517 9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.358 4.984 11.271 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.359 3.675 10.635 1.00 0.00 H new ATOM 538 N LEU A 32 0.327 5.154 7.078 1.00 0.00 N ATOM 539 CA LEU A 32 -0.504 6.091 6.360 1.00 0.00 C ATOM 540 C LEU A 32 -1.175 7.227 7.165 1.00 0.00 C ATOM 541 O LEU A 32 -2.015 7.957 6.569 1.00 0.00 O ATOM 542 CB LEU A 32 -1.599 5.280 5.631 1.00 0.00 C ATOM 543 CG LEU A 32 -1.245 4.195 4.633 1.00 0.00 C ATOM 544 CD1 LEU A 32 -2.382 3.241 4.400 1.00 0.00 C ATOM 545 CD2 LEU A 32 -0.684 4.673 3.331 1.00 0.00 C ATOM 0 H LEU A 32 -0.168 4.424 7.591 1.00 0.00 H new ATOM 0 HA LEU A 32 0.182 6.622 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.215 4.815 6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.231 5.998 5.108 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.428 3.664 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.079 2.483 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.651 2.759 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.242 3.787 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.466 3.817 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.410 5.319 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.234 5.232 3.514 1.00 0.00 H new ATOM 557 N HIS A 33 -0.854 7.395 8.418 1.00 0.00 N ATOM 558 CA HIS A 33 -1.474 8.549 9.130 1.00 0.00 C ATOM 559 C HIS A 33 -1.187 9.801 8.368 1.00 0.00 C ATOM 560 O HIS A 33 -0.022 10.032 7.879 1.00 0.00 O ATOM 561 CB HIS A 33 -0.996 8.687 10.500 1.00 0.00 C ATOM 562 CG HIS A 33 -2.090 9.235 11.423 1.00 0.00 C ATOM 563 ND1 HIS A 33 -3.098 8.431 11.875 1.00 0.00 N ATOM 564 CD2 HIS A 33 -2.228 10.526 11.920 1.00 0.00 C ATOM 565 CE1 HIS A 33 -3.826 9.222 12.645 1.00 0.00 C ATOM 566 NE2 HIS A 33 -3.359 10.501 12.644 1.00 0.00 N ATOM 0 H HIS A 33 -0.218 6.812 8.962 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.547 8.367 9.185 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.659 7.718 10.868 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.134 9.353 10.520 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.254 7.445 11.666 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.569 11.366 11.759 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.688 8.893 13.207 1.00 0.00 H new ATOM 574 N GLY A 34 -2.237 10.667 8.280 1.00 0.00 N ATOM 575 CA GLY A 34 -2.175 11.924 7.588 1.00 0.00 C ATOM 576 C GLY A 34 -2.036 11.900 6.117 1.00 0.00 C ATOM 577 O GLY A 34 -1.730 12.932 5.572 1.00 0.00 O ATOM 0 H GLY A 34 -3.146 10.481 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.079 12.483 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.335 12.487 7.994 1.00 0.00 H new ATOM 581 N ILE A 35 -2.325 10.803 5.448 1.00 0.00 N ATOM 582 CA ILE A 35 -2.191 10.637 4.010 1.00 0.00 C ATOM 583 C ILE A 35 -3.045 11.585 3.197 1.00 0.00 C ATOM 584 O ILE A 35 -2.701 12.091 2.120 1.00 0.00 O ATOM 585 CB ILE A 35 -2.322 9.194 3.550 1.00 0.00 C ATOM 586 CG1 ILE A 35 -1.835 9.072 2.127 1.00 0.00 C ATOM 587 CG2 ILE A 35 -3.680 8.585 3.698 1.00 0.00 C ATOM 588 CD1 ILE A 35 -0.348 8.723 1.918 1.00 0.00 C ATOM 0 H ILE A 35 -2.676 9.964 5.910 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.161 10.926 3.803 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.696 8.615 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.434 8.309 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.035 10.016 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.658 7.556 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.972 8.598 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.401 9.157 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.134 8.667 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.274 9.494 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.131 7.761 2.383 1.00 0.00 H new ATOM 600 N PHE A 36 -4.217 11.817 3.727 1.00 0.00 N ATOM 601 CA PHE A 36 -5.165 12.744 3.022 1.00 0.00 C ATOM 602 C PHE A 36 -4.647 14.156 2.978 1.00 0.00 C ATOM 603 O PHE A 36 -4.268 14.689 4.020 1.00 0.00 O ATOM 604 CB PHE A 36 -6.548 12.552 3.646 1.00 0.00 C ATOM 605 CG PHE A 36 -7.062 11.222 3.229 1.00 0.00 C ATOM 606 CD1 PHE A 36 -7.351 11.003 1.902 1.00 0.00 C ATOM 607 CD2 PHE A 36 -7.109 10.214 4.174 1.00 0.00 C ATOM 608 CE1 PHE A 36 -7.873 9.787 1.496 1.00 0.00 C ATOM 609 CE2 PHE A 36 -7.612 8.949 3.778 1.00 0.00 C ATOM 610 CZ PHE A 36 -7.998 8.762 2.447 1.00 0.00 C ATOM 0 H PHE A 36 -4.559 11.416 4.600 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.254 12.500 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.487 12.613 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.226 13.341 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.170 11.781 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.772 10.385 5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.177 9.630 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.696 8.143 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.401 7.807 2.144 1.00 0.00 H new ATOM 620 N GLY A 37 -4.597 14.695 1.798 1.00 0.00 N ATOM 621 CA GLY A 37 -4.057 16.051 1.567 1.00 0.00 C ATOM 622 C GLY A 37 -2.540 16.159 1.336 1.00 0.00 C ATOM 623 O GLY A 37 -2.030 17.234 1.011 1.00 0.00 O ATOM 0 H GLY A 37 -4.923 14.228 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.564 16.477 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.316 16.671 2.425 1.00 0.00 H new ATOM 627 N ARG A 38 -1.827 15.096 1.580 1.00 0.00 N ATOM 628 CA ARG A 38 -0.328 15.046 1.411 1.00 0.00 C ATOM 629 C ARG A 38 -0.100 14.489 0.051 1.00 0.00 C ATOM 630 O ARG A 38 -1.036 13.879 -0.558 1.00 0.00 O ATOM 631 CB ARG A 38 0.306 14.350 2.594 1.00 0.00 C ATOM 632 CG ARG A 38 1.645 13.682 2.525 1.00 0.00 C ATOM 633 CD ARG A 38 2.142 13.136 3.820 1.00 0.00 C ATOM 634 NE ARG A 38 1.889 11.713 3.956 1.00 0.00 N ATOM 635 CZ ARG A 38 1.656 11.095 5.098 1.00 0.00 C ATOM 636 NH1 ARG A 38 1.744 11.781 6.257 1.00 0.00 N ATOM 637 NH2 ARG A 38 1.386 9.796 5.155 1.00 0.00 N ATOM 0 H ARG A 38 -2.231 14.217 1.904 1.00 0.00 H new ATOM 0 HA ARG A 38 0.178 16.011 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.370 15.091 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.403 13.590 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.592 12.869 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.373 14.399 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.213 13.321 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.663 13.667 4.643 1.00 0.00 H new ATOM 0 HE ARG A 38 1.892 11.149 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.989 12.771 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.565 11.309 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.354 9.244 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.211 9.351 6.056 1.00 0.00 H new ATOM 651 N HIS A 39 1.072 14.772 -0.507 1.00 0.00 N ATOM 652 CA HIS A 39 1.398 14.237 -1.840 1.00 0.00 C ATOM 653 C HIS A 39 2.097 12.889 -1.566 1.00 0.00 C ATOM 654 O HIS A 39 2.551 12.600 -0.425 1.00 0.00 O ATOM 655 CB HIS A 39 2.304 15.183 -2.637 1.00 0.00 C ATOM 656 CG HIS A 39 1.660 16.478 -3.057 1.00 0.00 C ATOM 657 ND1 HIS A 39 1.597 17.583 -2.221 1.00 0.00 N ATOM 658 CD2 HIS A 39 1.114 16.842 -4.275 1.00 0.00 C ATOM 659 CE1 HIS A 39 1.003 18.512 -2.929 1.00 0.00 C ATOM 660 NE2 HIS A 39 0.717 18.151 -4.161 1.00 0.00 N ATOM 0 H HIS A 39 1.797 15.349 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 39 0.504 14.121 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.184 15.411 -2.036 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.653 14.662 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.018 16.215 -5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.768 19.490 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.287 18.727 -4.885 1.00 0.00 H new ATOM 668 N SER A 40 2.113 12.107 -2.621 1.00 0.00 N ATOM 669 CA SER A 40 2.756 10.783 -2.606 1.00 0.00 C ATOM 670 C SER A 40 4.301 10.930 -2.404 1.00 0.00 C ATOM 671 O SER A 40 4.892 11.930 -2.769 1.00 0.00 O ATOM 672 CB SER A 40 2.466 10.006 -3.834 1.00 0.00 C ATOM 673 OG SER A 40 2.896 10.717 -4.995 1.00 0.00 O ATOM 0 H SER A 40 1.688 12.354 -3.515 1.00 0.00 H new ATOM 0 HA SER A 40 2.337 10.228 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.969 9.040 -3.786 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.397 9.806 -3.899 1.00 0.00 H new ATOM 0 HG SER A 40 3.614 10.217 -5.437 1.00 0.00 H new ATOM 679 N GLY A 41 4.843 9.938 -1.710 1.00 0.00 N ATOM 680 CA GLY A 41 6.305 9.927 -1.453 1.00 0.00 C ATOM 681 C GLY A 41 6.843 10.822 -0.381 1.00 0.00 C ATOM 682 O GLY A 41 8.061 11.135 -0.399 1.00 0.00 O ATOM 0 H GLY A 41 4.327 9.149 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.592 8.904 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.808 10.184 -2.385 1.00 0.00 H new ATOM 686 N GLN A 42 6.113 11.227 0.627 1.00 0.00 N ATOM 687 CA GLN A 42 6.558 12.230 1.608 1.00 0.00 C ATOM 688 C GLN A 42 6.623 11.853 3.074 1.00 0.00 C ATOM 689 O GLN A 42 6.903 12.678 4.015 1.00 0.00 O ATOM 690 CB GLN A 42 5.797 13.554 1.505 1.00 0.00 C ATOM 691 CG GLN A 42 5.741 14.228 0.168 1.00 0.00 C ATOM 692 CD GLN A 42 6.824 14.983 -0.483 1.00 0.00 C ATOM 693 OE1 GLN A 42 6.867 15.049 -1.753 1.00 0.00 O ATOM 694 NE2 GLN A 42 7.650 15.656 0.298 1.00 0.00 N ATOM 0 H GLN A 42 5.173 10.873 0.807 1.00 0.00 H new ATOM 0 HA GLN A 42 7.596 12.320 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.773 13.378 1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.243 14.252 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.465 13.447 -0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.899 14.918 0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.577 15.571 1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.361 16.261 -0.113 1.00 0.00 H new ATOM 703 N ALA A 43 6.223 10.613 3.366 1.00 0.00 N ATOM 704 CA ALA A 43 6.392 10.077 4.732 1.00 0.00 C ATOM 705 C ALA A 43 7.947 9.949 4.972 1.00 0.00 C ATOM 706 O ALA A 43 8.784 9.365 4.229 1.00 0.00 O ATOM 707 CB ALA A 43 5.820 8.688 4.833 1.00 0.00 C ATOM 0 H ALA A 43 5.791 9.972 2.701 1.00 0.00 H new ATOM 0 HA ALA A 43 5.893 10.728 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.955 8.312 5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.757 8.714 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.334 8.031 4.131 1.00 0.00 H new ATOM 713 N GLU A 44 8.404 10.497 6.123 1.00 0.00 N ATOM 714 CA GLU A 44 9.868 10.405 6.322 1.00 0.00 C ATOM 715 C GLU A 44 10.267 9.049 6.879 1.00 0.00 C ATOM 716 O GLU A 44 9.510 8.386 7.589 1.00 0.00 O ATOM 717 CB GLU A 44 10.596 11.486 7.072 1.00 0.00 C ATOM 718 CG GLU A 44 10.127 12.185 8.300 1.00 0.00 C ATOM 719 CD GLU A 44 11.238 13.117 8.794 1.00 0.00 C ATOM 720 OE1 GLU A 44 12.419 12.796 8.718 1.00 0.00 O ATOM 721 OE2 GLU A 44 10.706 14.255 9.177 1.00 0.00 O ATOM 0 H GLU A 44 7.856 10.956 6.851 1.00 0.00 H new ATOM 0 HA GLU A 44 10.207 10.561 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.564 11.059 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.781 12.273 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.223 12.756 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.872 11.460 9.073 1.00 0.00 H new ATOM 728 N GLY A 45 11.492 8.590 6.411 1.00 0.00 N ATOM 729 CA GLY A 45 12.037 7.353 6.852 1.00 0.00 C ATOM 730 C GLY A 45 11.610 6.145 6.057 1.00 0.00 C ATOM 731 O GLY A 45 11.864 5.035 6.542 1.00 0.00 O ATOM 0 H GLY A 45 12.071 9.092 5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.124 7.422 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.755 7.201 7.894 1.00 0.00 H new ATOM 735 N TYR A 46 10.934 6.392 4.955 1.00 0.00 N ATOM 736 CA TYR A 46 10.499 5.338 4.070 1.00 0.00 C ATOM 737 C TYR A 46 11.142 5.502 2.699 1.00 0.00 C ATOM 738 O TYR A 46 11.229 6.513 2.067 1.00 0.00 O ATOM 739 CB TYR A 46 8.959 5.356 3.907 1.00 0.00 C ATOM 740 CG TYR A 46 8.508 4.103 3.180 1.00 0.00 C ATOM 741 CD1 TYR A 46 8.377 2.898 3.878 1.00 0.00 C ATOM 742 CD2 TYR A 46 8.304 4.150 1.790 1.00 0.00 C ATOM 743 CE1 TYR A 46 8.084 1.723 3.222 1.00 0.00 C ATOM 744 CE2 TYR A 46 7.964 2.979 1.140 1.00 0.00 C ATOM 745 CZ TYR A 46 7.852 1.758 1.830 1.00 0.00 C ATOM 746 OH TYR A 46 7.578 0.646 1.104 1.00 0.00 O ATOM 0 H TYR A 46 10.672 7.329 4.650 1.00 0.00 H new ATOM 0 HA TYR A 46 10.802 4.387 4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.481 5.413 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.653 6.242 3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.508 2.889 4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.410 5.076 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.033 0.790 3.764 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.780 3.002 0.076 1.00 0.00 H new ATOM 0 HH TYR A 46 7.128 -0.013 1.673 1.00 0.00 H new ATOM 756 N SER A 47 11.583 4.302 2.211 1.00 0.00 N ATOM 757 CA SER A 47 12.162 4.216 0.900 1.00 0.00 C ATOM 758 C SER A 47 11.211 3.910 -0.224 1.00 0.00 C ATOM 759 O SER A 47 10.863 2.813 -0.714 1.00 0.00 O ATOM 760 CB SER A 47 13.400 3.181 1.014 1.00 0.00 C ATOM 761 OG SER A 47 13.711 3.030 -0.315 1.00 0.00 O ATOM 0 H SER A 47 11.536 3.419 2.719 1.00 0.00 H new ATOM 0 HA SER A 47 12.504 5.207 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.230 3.587 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.114 2.240 1.484 1.00 0.00 H new ATOM 0 HG SER A 47 14.467 2.413 -0.406 1.00 0.00 H new ATOM 767 N TYR A 48 10.583 4.993 -0.732 1.00 0.00 N ATOM 768 CA TYR A 48 9.630 4.870 -1.862 1.00 0.00 C ATOM 769 C TYR A 48 10.354 4.524 -3.173 1.00 0.00 C ATOM 770 O TYR A 48 11.523 4.915 -3.267 1.00 0.00 O ATOM 771 CB TYR A 48 8.989 6.233 -2.118 1.00 0.00 C ATOM 772 CG TYR A 48 8.052 6.574 -0.957 1.00 0.00 C ATOM 773 CD1 TYR A 48 6.710 6.145 -1.075 1.00 0.00 C ATOM 774 CD2 TYR A 48 8.374 7.525 -0.053 1.00 0.00 C ATOM 775 CE1 TYR A 48 5.805 6.571 -0.098 1.00 0.00 C ATOM 776 CE2 TYR A 48 7.527 7.906 0.997 1.00 0.00 C ATOM 777 CZ TYR A 48 6.201 7.415 0.914 1.00 0.00 C ATOM 778 OH TYR A 48 5.318 7.885 1.851 1.00 0.00 O ATOM 0 H TYR A 48 10.713 5.944 -0.388 1.00 0.00 H new ATOM 0 HA TYR A 48 8.912 4.094 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.759 6.998 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 48 8.434 6.217 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.395 5.511 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.332 8.016 -0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.780 6.233 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.862 8.530 1.812 1.00 0.00 H new ATOM 0 HH TYR A 48 4.415 7.899 1.471 1.00 0.00 H new ATOM 788 N THR A 49 9.685 4.035 -4.170 1.00 0.00 N ATOM 789 CA THR A 49 10.129 3.874 -5.491 1.00 0.00 C ATOM 790 C THR A 49 10.174 5.305 -6.161 1.00 0.00 C ATOM 791 O THR A 49 9.580 6.217 -5.659 1.00 0.00 O ATOM 792 CB THR A 49 9.227 3.012 -6.395 1.00 0.00 C ATOM 793 OG1 THR A 49 7.957 3.646 -6.530 1.00 0.00 O ATOM 794 CG2 THR A 49 9.143 1.564 -5.956 1.00 0.00 C ATOM 0 H THR A 49 8.725 3.712 -4.052 1.00 0.00 H new ATOM 0 HA THR A 49 11.091 3.367 -5.415 1.00 0.00 H new ATOM 0 HB THR A 49 9.683 2.951 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.269 3.094 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.492 1.015 -6.636 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.139 1.121 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.738 1.513 -4.946 1.00 0.00 H new ATOM 802 N ASP A 50 11.014 5.346 -7.223 1.00 0.00 N ATOM 803 CA ASP A 50 11.196 6.532 -8.021 1.00 0.00 C ATOM 804 C ASP A 50 9.764 6.950 -8.547 1.00 0.00 C ATOM 805 O ASP A 50 9.621 8.155 -8.486 1.00 0.00 O ATOM 806 CB ASP A 50 12.128 6.349 -9.224 1.00 0.00 C ATOM 807 CG ASP A 50 13.598 6.549 -8.984 1.00 0.00 C ATOM 808 OD1 ASP A 50 14.051 6.962 -7.829 1.00 0.00 O ATOM 809 OD2 ASP A 50 14.497 6.361 -9.867 1.00 0.00 O ATOM 0 H ASP A 50 11.572 4.549 -7.531 1.00 0.00 H new ATOM 0 HA ASP A 50 11.668 7.288 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.982 5.342 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.815 7.043 -10.004 1.00 0.00 H new ATOM 814 N ALA A 51 9.055 5.974 -9.019 1.00 0.00 N ATOM 815 CA ALA A 51 7.711 6.021 -9.602 1.00 0.00 C ATOM 816 C ALA A 51 6.655 6.702 -8.754 1.00 0.00 C ATOM 817 O ALA A 51 5.869 7.595 -9.193 1.00 0.00 O ATOM 818 CB ALA A 51 7.217 4.614 -9.938 1.00 0.00 C ATOM 0 H ALA A 51 9.421 5.022 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 51 7.836 6.631 -10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.218 4.673 -10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.895 4.152 -10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.185 4.013 -9.029 1.00 0.00 H new ATOM 824 N ASN A 52 6.622 6.309 -7.483 1.00 0.00 N ATOM 825 CA ASN A 52 5.628 6.958 -6.578 1.00 0.00 C ATOM 826 C ASN A 52 5.914 8.415 -6.348 1.00 0.00 C ATOM 827 O ASN A 52 5.037 9.340 -6.424 1.00 0.00 O ATOM 828 CB ASN A 52 5.532 6.158 -5.289 1.00 0.00 C ATOM 829 CG ASN A 52 4.803 6.893 -4.163 1.00 0.00 C ATOM 830 OD1 ASN A 52 5.271 7.922 -3.591 1.00 0.00 O ATOM 831 ND2 ASN A 52 3.720 6.311 -3.781 1.00 0.00 N ATOM 0 H ASN A 52 7.218 5.597 -7.061 1.00 0.00 H new ATOM 0 HA ASN A 52 4.652 6.947 -7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.016 5.219 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.537 5.904 -4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.198 6.677 -2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.384 5.484 -4.275 1.00 0.00 H new ATOM 838 N ILE A 53 7.125 8.721 -6.041 1.00 0.00 N ATOM 839 CA ILE A 53 7.536 10.095 -5.774 1.00 0.00 C ATOM 840 C ILE A 53 7.287 11.131 -6.875 1.00 0.00 C ATOM 841 O ILE A 53 7.038 12.293 -6.528 1.00 0.00 O ATOM 842 CB ILE A 53 9.085 9.997 -5.571 1.00 0.00 C ATOM 843 CG1 ILE A 53 9.419 9.248 -4.288 1.00 0.00 C ATOM 844 CG2 ILE A 53 9.740 11.331 -5.569 1.00 0.00 C ATOM 845 CD1 ILE A 53 10.807 9.389 -3.623 1.00 0.00 C ATOM 0 H ILE A 53 7.878 8.038 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 53 6.942 10.453 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 53 9.477 9.439 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.678 9.541 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.267 8.187 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.814 11.209 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.556 11.828 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.332 11.936 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.843 8.776 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.579 9.058 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.980 10.432 -3.359 1.00 0.00 H new ATOM 857 N LYS A 54 7.542 10.766 -8.091 1.00 0.00 N ATOM 858 CA LYS A 54 7.524 11.584 -9.302 1.00 0.00 C ATOM 859 C LYS A 54 6.106 11.679 -9.874 1.00 0.00 C ATOM 860 O LYS A 54 5.872 12.538 -10.691 1.00 0.00 O ATOM 861 CB LYS A 54 8.384 10.932 -10.414 1.00 0.00 C ATOM 862 CG LYS A 54 9.840 10.679 -10.103 1.00 0.00 C ATOM 863 CD LYS A 54 10.932 11.532 -10.760 1.00 0.00 C ATOM 864 CE LYS A 54 12.024 10.593 -11.259 1.00 0.00 C ATOM 865 NZ LYS A 54 13.058 11.231 -12.117 1.00 0.00 N ATOM 0 H LYS A 54 7.794 9.800 -8.300 1.00 0.00 H new ATOM 0 HA LYS A 54 7.907 12.565 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.925 9.980 -10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.333 11.569 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.961 10.776 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.048 9.639 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.519 12.110 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.340 12.246 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.516 10.142 -10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.557 9.783 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.756 10.517 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.606 11.637 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.535 11.985 -11.583 1.00 0.00 H new ATOM 879 N LYS A 55 5.302 10.797 -9.381 1.00 0.00 N ATOM 880 CA LYS A 55 3.889 10.731 -9.744 1.00 0.00 C ATOM 881 C LYS A 55 3.194 11.915 -9.029 1.00 0.00 C ATOM 882 O LYS A 55 2.277 12.550 -9.573 1.00 0.00 O ATOM 883 CB LYS A 55 3.332 9.331 -9.515 1.00 0.00 C ATOM 884 CG LYS A 55 1.832 9.326 -9.374 1.00 0.00 C ATOM 885 CD LYS A 55 1.147 9.369 -10.721 1.00 0.00 C ATOM 886 CE LYS A 55 -0.342 9.548 -10.566 1.00 0.00 C ATOM 887 NZ LYS A 55 -0.980 8.923 -11.754 1.00 0.00 N ATOM 0 H LYS A 55 5.590 10.087 -8.708 1.00 0.00 H new ATOM 0 HA LYS A 55 3.700 10.865 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.618 8.688 -10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.780 8.907 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.520 8.432 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.519 10.183 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.555 10.187 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.351 8.447 -11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.693 9.078 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.599 10.605 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.005 9.098 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.579 9.335 -12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.804 7.898 -11.744 1.00 0.00 H new ATOM 901 N ASN A 56 3.712 12.342 -7.913 1.00 0.00 N ATOM 902 CA ASN A 56 3.332 13.442 -7.081 1.00 0.00 C ATOM 903 C ASN A 56 1.815 13.531 -6.953 1.00 0.00 C ATOM 904 O ASN A 56 1.415 14.663 -7.062 1.00 0.00 O ATOM 905 CB ASN A 56 3.945 14.817 -7.471 1.00 0.00 C ATOM 906 CG ASN A 56 4.043 15.945 -6.455 1.00 0.00 C ATOM 907 OD1 ASN A 56 4.215 15.689 -5.163 1.00 0.00 O flip ATOM 908 ND2 ASN A 56 4.012 17.194 -6.789 1.00 0.00 N flip ATOM 0 H ASN A 56 4.518 11.859 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 56 3.768 13.216 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.955 14.625 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.369 15.196 -8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.883 17.458 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.117 17.915 -6.076 1.00 0.00 H new ATOM 915 N VAL A 57 1.151 12.407 -6.700 1.00 0.00 N ATOM 916 CA VAL A 57 -0.290 12.488 -6.430 1.00 0.00 C ATOM 917 C VAL A 57 -0.693 13.204 -5.139 1.00 0.00 C ATOM 918 O VAL A 57 -0.108 13.064 -4.030 1.00 0.00 O ATOM 919 CB VAL A 57 -0.834 11.042 -6.345 1.00 0.00 C ATOM 920 CG1 VAL A 57 -2.349 11.051 -6.401 1.00 0.00 C ATOM 921 CG2 VAL A 57 -0.179 10.222 -7.427 1.00 0.00 C ATOM 0 H VAL A 57 1.557 11.472 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.707 13.082 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.583 10.576 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.721 10.028 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.741 11.630 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.676 11.501 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.550 9.198 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.413 10.651 -8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.901 10.223 -7.281 1.00 0.00 H new ATOM 931 N LEU A 58 -1.752 14.064 -5.263 1.00 0.00 N ATOM 932 CA LEU A 58 -2.287 14.686 -4.063 1.00 0.00 C ATOM 933 C LEU A 58 -3.420 13.685 -3.681 1.00 0.00 C ATOM 934 O LEU A 58 -4.420 13.429 -4.387 1.00 0.00 O ATOM 935 CB LEU A 58 -2.682 16.108 -4.182 1.00 0.00 C ATOM 936 CG LEU A 58 -3.013 17.040 -3.030 1.00 0.00 C ATOM 937 CD1 LEU A 58 -4.384 17.008 -2.430 1.00 0.00 C ATOM 938 CD2 LEU A 58 -2.059 17.016 -1.844 1.00 0.00 C ATOM 0 H LEU A 58 -2.212 14.316 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.543 14.816 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.875 16.593 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.559 16.117 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.913 17.951 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.444 17.736 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.122 17.253 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.586 16.012 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.401 17.723 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.033 16.013 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.059 17.295 -2.176 1.00 0.00 H new ATOM 950 N TRP A 59 -3.261 13.131 -2.499 1.00 0.00 N ATOM 951 CA TRP A 59 -4.169 12.110 -2.026 1.00 0.00 C ATOM 952 C TRP A 59 -5.457 12.706 -1.427 1.00 0.00 C ATOM 953 O TRP A 59 -5.429 13.324 -0.394 1.00 0.00 O ATOM 954 CB TRP A 59 -3.489 11.192 -1.031 1.00 0.00 C ATOM 955 CG TRP A 59 -2.354 10.308 -1.508 1.00 0.00 C ATOM 956 CD1 TRP A 59 -1.042 10.358 -1.134 1.00 0.00 C ATOM 957 CD2 TRP A 59 -2.461 9.323 -2.498 1.00 0.00 C ATOM 958 NE1 TRP A 59 -0.335 9.406 -1.820 1.00 0.00 N ATOM 959 CE2 TRP A 59 -1.140 8.736 -2.644 1.00 0.00 C ATOM 960 CE3 TRP A 59 -3.509 8.862 -3.324 1.00 0.00 C ATOM 961 CZ2 TRP A 59 -0.895 7.713 -3.566 1.00 0.00 C ATOM 962 CZ3 TRP A 59 -3.247 7.849 -4.207 1.00 0.00 C ATOM 963 CH2 TRP A 59 -1.934 7.269 -4.316 1.00 0.00 C ATOM 0 H TRP A 59 -2.512 13.370 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.460 11.521 -2.895 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.106 11.811 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.254 10.544 -0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.626 11.042 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.665 9.234 -1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.495 9.298 -3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.092 7.289 -3.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.043 7.477 -4.835 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.772 6.460 -5.013 1.00 0.00 H new ATOM 974 N ASP A 60 -6.493 12.414 -2.138 1.00 0.00 N ATOM 975 CA ASP A 60 -7.895 12.903 -1.767 1.00 0.00 C ATOM 976 C ASP A 60 -8.713 11.625 -1.824 1.00 0.00 C ATOM 977 O ASP A 60 -8.184 10.674 -2.471 1.00 0.00 O ATOM 978 CB ASP A 60 -8.360 14.025 -2.693 1.00 0.00 C ATOM 979 CG ASP A 60 -8.640 13.487 -4.014 1.00 0.00 C ATOM 980 OD1 ASP A 60 -9.185 12.441 -4.204 1.00 0.00 O ATOM 981 OD2 ASP A 60 -8.246 14.164 -5.023 1.00 0.00 O ATOM 0 H ASP A 60 -6.458 11.846 -2.985 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.976 13.374 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.253 14.498 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.593 14.796 -2.759 1.00 0.00 H new ATOM 986 N GLU A 61 -9.839 11.569 -1.167 1.00 0.00 N ATOM 987 CA GLU A 61 -10.713 10.340 -1.211 1.00 0.00 C ATOM 988 C GLU A 61 -10.960 9.881 -2.589 1.00 0.00 C ATOM 989 O GLU A 61 -11.153 8.676 -3.016 1.00 0.00 O ATOM 990 CB GLU A 61 -12.043 10.679 -0.479 1.00 0.00 C ATOM 991 CG GLU A 61 -12.622 12.083 -0.751 1.00 0.00 C ATOM 992 CD GLU A 61 -14.075 12.461 -0.737 1.00 0.00 C ATOM 993 OE1 GLU A 61 -14.463 12.509 0.521 1.00 0.00 O ATOM 994 OE2 GLU A 61 -14.817 12.729 -1.692 1.00 0.00 O ATOM 0 H GLU A 61 -10.204 12.328 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.205 9.514 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.790 9.938 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.882 10.575 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.140 12.744 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.255 12.366 -1.738 1.00 0.00 H new ATOM 1001 N ASN A 62 -10.858 10.777 -3.568 1.00 0.00 N ATOM 1002 CA ASN A 62 -11.155 10.498 -4.976 1.00 0.00 C ATOM 1003 C ASN A 62 -10.069 9.804 -5.850 1.00 0.00 C ATOM 1004 O ASN A 62 -10.284 8.990 -6.752 1.00 0.00 O ATOM 1005 CB ASN A 62 -11.650 11.781 -5.631 1.00 0.00 C ATOM 1006 CG ASN A 62 -12.948 12.463 -5.229 1.00 0.00 C ATOM 1007 OD1 ASN A 62 -13.741 12.085 -4.344 1.00 0.00 O ATOM 1008 ND2 ASN A 62 -13.203 13.614 -5.864 1.00 0.00 N ATOM 0 H ASN A 62 -10.560 11.739 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.917 9.720 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.859 12.520 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.725 11.575 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.030 14.159 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.570 13.946 -6.592 1.00 0.00 H new ATOM 1015 N ASN A 63 -8.835 10.231 -5.722 1.00 0.00 N ATOM 1016 CA ASN A 63 -7.568 9.797 -6.323 1.00 0.00 C ATOM 1017 C ASN A 63 -7.246 8.360 -5.847 1.00 0.00 C ATOM 1018 O ASN A 63 -6.878 7.404 -6.487 1.00 0.00 O ATOM 1019 CB ASN A 63 -6.489 10.725 -5.672 1.00 0.00 C ATOM 1020 CG ASN A 63 -5.683 11.354 -6.745 1.00 0.00 C ATOM 1021 OD1 ASN A 63 -4.816 10.702 -7.445 1.00 0.00 O ATOM 1022 ND2 ASN A 63 -5.894 12.642 -6.987 1.00 0.00 N ATOM 0 H ASN A 63 -8.658 11.016 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.601 9.835 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.969 11.491 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.846 10.147 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.372 13.115 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.579 13.159 -6.435 1.00 0.00 H new ATOM 1029 N MET A 64 -7.494 8.363 -4.527 1.00 0.00 N ATOM 1030 CA MET A 64 -7.375 7.127 -3.705 1.00 0.00 C ATOM 1031 C MET A 64 -8.237 6.038 -4.251 1.00 0.00 C ATOM 1032 O MET A 64 -7.805 4.894 -4.323 1.00 0.00 O ATOM 1033 CB MET A 64 -7.619 7.382 -2.226 1.00 0.00 C ATOM 1034 CG MET A 64 -7.340 6.024 -1.552 1.00 0.00 C ATOM 1035 SD MET A 64 -5.648 5.813 -1.144 1.00 0.00 S ATOM 1036 CE MET A 64 -5.331 7.172 -0.011 1.00 0.00 C ATOM 0 H MET A 64 -7.775 9.192 -4.003 1.00 0.00 H new ATOM 0 HA MET A 64 -6.341 6.788 -3.774 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.958 8.159 -1.842 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.641 7.714 -2.043 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.942 5.941 -0.647 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.653 5.220 -2.218 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.530 6.895 0.674 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.036 8.056 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.235 7.390 0.557 1.00 0.00 H new ATOM 1046 N SER A 65 -9.435 6.372 -4.702 1.00 0.00 N ATOM 1047 CA SER A 65 -10.344 5.349 -5.272 1.00 0.00 C ATOM 1048 C SER A 65 -9.820 4.747 -6.567 1.00 0.00 C ATOM 1049 O SER A 65 -9.882 3.534 -6.779 1.00 0.00 O ATOM 1050 CB SER A 65 -11.807 5.869 -5.492 1.00 0.00 C ATOM 1051 OG SER A 65 -12.717 4.928 -5.879 1.00 0.00 O ATOM 0 H SER A 65 -9.810 7.320 -4.693 1.00 0.00 H new ATOM 0 HA SER A 65 -10.375 4.567 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.155 6.324 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.784 6.657 -6.245 1.00 0.00 H new ATOM 0 HG SER A 65 -13.596 5.348 -5.988 1.00 0.00 H new ATOM 1057 N GLU A 66 -9.269 5.645 -7.407 1.00 0.00 N ATOM 1058 CA GLU A 66 -8.788 5.247 -8.709 1.00 0.00 C ATOM 1059 C GLU A 66 -7.473 4.403 -8.490 1.00 0.00 C ATOM 1060 O GLU A 66 -7.280 3.427 -9.117 1.00 0.00 O ATOM 1061 CB GLU A 66 -8.449 6.365 -9.661 1.00 0.00 C ATOM 1062 CG GLU A 66 -9.302 6.948 -10.805 1.00 0.00 C ATOM 1063 CD GLU A 66 -9.986 8.221 -10.389 1.00 0.00 C ATOM 1064 OE1 GLU A 66 -10.170 8.446 -9.158 1.00 0.00 O ATOM 1065 OE2 GLU A 66 -10.500 9.004 -11.322 1.00 0.00 O ATOM 0 H GLU A 66 -9.155 6.636 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.610 4.700 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.216 7.217 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.517 6.058 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.669 7.140 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.049 6.216 -11.113 1.00 0.00 H new ATOM 1072 N TYR A 67 -6.701 4.907 -7.546 1.00 0.00 N ATOM 1073 CA TYR A 67 -5.459 4.180 -7.155 1.00 0.00 C ATOM 1074 C TYR A 67 -5.787 2.750 -6.750 1.00 0.00 C ATOM 1075 O TYR A 67 -5.284 1.679 -7.261 1.00 0.00 O ATOM 1076 CB TYR A 67 -4.685 4.987 -6.114 1.00 0.00 C ATOM 1077 CG TYR A 67 -3.394 4.345 -5.599 1.00 0.00 C ATOM 1078 CD1 TYR A 67 -2.367 3.960 -6.483 1.00 0.00 C ATOM 1079 CD2 TYR A 67 -3.270 4.081 -4.237 1.00 0.00 C ATOM 1080 CE1 TYR A 67 -1.189 3.403 -5.970 1.00 0.00 C ATOM 1081 CE2 TYR A 67 -2.131 3.393 -3.754 1.00 0.00 C ATOM 1082 CZ TYR A 67 -1.106 3.115 -4.642 1.00 0.00 C ATOM 1083 OH TYR A 67 0.113 2.585 -4.171 1.00 0.00 O ATOM 0 H TYR A 67 -6.880 5.776 -7.042 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.786 4.085 -8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.439 5.958 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.341 5.172 -5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.487 4.093 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.041 4.400 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.352 3.203 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.063 3.093 -2.719 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.065 1.792 -3.624 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.682 2.577 -5.764 1.00 0.00 N ATOM 1094 CA LEU A 68 -7.085 1.297 -5.237 1.00 0.00 C ATOM 1095 C LEU A 68 -7.712 0.367 -6.222 1.00 0.00 C ATOM 1096 O LEU A 68 -7.653 -0.894 -6.139 1.00 0.00 O ATOM 1097 CB LEU A 68 -7.936 1.390 -3.912 1.00 0.00 C ATOM 1098 CG LEU A 68 -7.151 2.005 -2.777 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -8.013 2.132 -1.535 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -5.881 1.305 -2.416 1.00 0.00 C ATOM 0 H LEU A 68 -7.150 3.360 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.129 0.842 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.831 1.984 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.269 0.393 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.857 2.983 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.428 2.577 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.873 2.766 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.358 1.144 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.398 1.829 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.103 0.281 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.214 1.293 -3.278 1.00 0.00 H new ATOM 1112 N THR A 69 -8.183 0.931 -7.356 1.00 0.00 N ATOM 1113 CA THR A 69 -8.718 0.062 -8.387 1.00 0.00 C ATOM 1114 C THR A 69 -7.680 -0.841 -9.009 1.00 0.00 C ATOM 1115 O THR A 69 -7.948 -1.940 -9.422 1.00 0.00 O ATOM 1116 CB THR A 69 -9.431 0.883 -9.529 1.00 0.00 C ATOM 1117 OG1 THR A 69 -10.303 1.644 -8.801 1.00 0.00 O ATOM 1118 CG2 THR A 69 -10.069 -0.125 -10.472 1.00 0.00 C ATOM 0 H THR A 69 -8.199 1.930 -7.561 1.00 0.00 H new ATOM 0 HA THR A 69 -9.446 -0.567 -7.874 1.00 0.00 H new ATOM 0 HB THR A 69 -8.820 1.516 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.820 2.217 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.575 0.403 -11.280 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.297 -0.772 -10.889 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.792 -0.729 -9.924 1.00 0.00 H new ATOM 1126 N ASN A 70 -6.493 -0.256 -9.156 1.00 0.00 N ATOM 1127 CA ASN A 70 -5.353 -0.862 -9.840 1.00 0.00 C ATOM 1128 C ASN A 70 -4.159 0.057 -9.690 1.00 0.00 C ATOM 1129 O ASN A 70 -3.908 0.939 -10.561 1.00 0.00 O ATOM 1130 CB ASN A 70 -5.737 -1.050 -11.307 1.00 0.00 C ATOM 1131 CG ASN A 70 -4.862 -2.146 -11.865 1.00 0.00 C ATOM 1132 OD1 ASN A 70 -3.626 -2.109 -11.719 1.00 0.00 O ATOM 1133 ND2 ASN A 70 -5.529 -3.163 -12.425 1.00 0.00 N ATOM 0 H ASN A 70 -6.293 0.676 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.091 -1.831 -9.416 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.790 -1.316 -11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.594 -0.124 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.022 -3.979 -12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.545 -3.121 -12.510 1.00 0.00 H new ATOM 1140 N PRO A 71 -3.466 -0.175 -8.567 1.00 0.00 N ATOM 1141 CA PRO A 71 -2.302 0.572 -8.156 1.00 0.00 C ATOM 1142 C PRO A 71 -1.225 0.758 -9.241 1.00 0.00 C ATOM 1143 O PRO A 71 -0.855 1.897 -9.465 1.00 0.00 O ATOM 1144 CB PRO A 71 -1.860 -0.184 -6.885 1.00 0.00 C ATOM 1145 CG PRO A 71 -3.158 -0.677 -6.259 1.00 0.00 C ATOM 1146 CD PRO A 71 -3.869 -1.158 -7.538 1.00 0.00 C ATOM 0 HA PRO A 71 -2.514 1.623 -7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.197 -1.014 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.315 0.470 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.000 -1.478 -5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.705 0.113 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.561 -2.168 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.951 -1.179 -7.409 1.00 0.00 H new ATOM 1154 N LYS A 72 -0.854 -0.350 -9.864 1.00 0.00 N ATOM 1155 CA LYS A 72 0.182 -0.347 -10.918 1.00 0.00 C ATOM 1156 C LYS A 72 -0.186 0.304 -12.225 1.00 0.00 C ATOM 1157 O LYS A 72 0.623 0.819 -12.952 1.00 0.00 O ATOM 1158 CB LYS A 72 0.578 -1.805 -11.225 1.00 0.00 C ATOM 1159 CG LYS A 72 1.475 -2.192 -10.048 1.00 0.00 C ATOM 1160 CD LYS A 72 2.085 -3.597 -10.215 1.00 0.00 C ATOM 1161 CE LYS A 72 2.938 -3.839 -8.954 1.00 0.00 C ATOM 1162 NZ LYS A 72 3.990 -4.842 -9.183 1.00 0.00 N ATOM 0 H LYS A 72 -1.248 -1.270 -9.667 1.00 0.00 H new ATOM 0 HA LYS A 72 0.989 0.257 -10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.297 -2.452 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.107 -1.885 -12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.276 -1.460 -9.949 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.895 -2.157 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.305 -4.353 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.695 -3.653 -11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.394 -2.900 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.294 -4.169 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.540 -4.974 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.554 -5.745 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.621 -4.516 -9.943 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.521 0.354 -12.460 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.072 1.020 -13.667 1.00 0.00 C ATOM 1178 C LYS A 73 -1.963 2.485 -13.325 1.00 0.00 C ATOM 1179 O LYS A 73 -1.495 3.183 -14.254 1.00 0.00 O ATOM 1180 CB LYS A 73 -3.441 0.526 -14.061 1.00 0.00 C ATOM 1181 CG LYS A 73 -4.046 0.962 -15.387 1.00 0.00 C ATOM 1182 CD LYS A 73 -3.246 0.815 -16.648 1.00 0.00 C ATOM 1183 CE LYS A 73 -3.939 1.368 -17.905 1.00 0.00 C ATOM 1184 NZ LYS A 73 -3.078 1.899 -18.977 1.00 0.00 N ATOM 0 H LYS A 73 -2.225 -0.051 -11.842 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.526 0.791 -14.582 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.407 -0.563 -14.061 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.134 0.823 -13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.973 0.405 -15.522 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.317 2.014 -15.293 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.291 1.324 -16.520 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.026 -0.241 -16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.552 0.573 -18.329 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.617 2.162 -17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.670 2.238 -19.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.509 2.687 -18.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.446 1.147 -19.319 1.00 0.00 H new ATOM 1198 N TYR A 74 -2.260 2.899 -12.124 1.00 0.00 N ATOM 1199 CA TYR A 74 -2.204 4.299 -11.664 1.00 0.00 C ATOM 1200 C TYR A 74 -0.803 4.871 -11.477 1.00 0.00 C ATOM 1201 O TYR A 74 -0.511 6.013 -11.839 1.00 0.00 O ATOM 1202 CB TYR A 74 -3.053 4.363 -10.339 1.00 0.00 C ATOM 1203 CG TYR A 74 -3.405 5.805 -10.060 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -4.448 6.452 -10.792 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -2.690 6.577 -9.146 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -4.641 7.803 -10.723 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -2.969 7.920 -8.999 1.00 0.00 C ATOM 1208 CZ TYR A 74 -3.944 8.530 -9.780 1.00 0.00 C ATOM 1209 OH TYR A 74 -4.192 9.841 -9.600 1.00 0.00 O ATOM 0 H TYR A 74 -2.563 2.258 -11.391 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.614 4.939 -12.446 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.959 3.766 -10.441 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.487 3.944 -9.507 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.100 5.858 -11.415 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.913 6.121 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.328 8.294 -11.396 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.425 8.503 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.523 9.989 -8.690 1.00 0.00 H new ATOM 1219 N ILE A 75 0.095 4.085 -10.840 1.00 0.00 N ATOM 1220 CA ILE A 75 1.548 4.430 -10.634 1.00 0.00 C ATOM 1221 C ILE A 75 2.406 3.319 -11.160 1.00 0.00 C ATOM 1222 O ILE A 75 2.850 2.304 -10.533 1.00 0.00 O ATOM 1223 CB ILE A 75 1.972 4.774 -9.240 1.00 0.00 C ATOM 1224 CG1 ILE A 75 0.834 5.569 -8.545 1.00 0.00 C ATOM 1225 CG2 ILE A 75 3.259 5.551 -9.297 1.00 0.00 C ATOM 1226 CD1 ILE A 75 1.209 6.245 -7.208 1.00 0.00 C ATOM 0 H ILE A 75 -0.157 3.179 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 75 1.684 5.358 -11.190 1.00 0.00 H new ATOM 0 HB ILE A 75 2.153 3.874 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.480 6.337 -9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.001 4.892 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.575 5.806 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.029 4.946 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.107 6.465 -9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.341 6.772 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.531 5.486 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.020 6.955 -7.374 1.00 0.00 H new ATOM 1238 N PRO A 76 2.654 3.386 -12.474 1.00 0.00 N ATOM 1239 CA PRO A 76 3.358 2.313 -13.137 1.00 0.00 C ATOM 1240 C PRO A 76 4.826 2.368 -12.506 1.00 0.00 C ATOM 1241 O PRO A 76 5.465 3.409 -12.499 1.00 0.00 O ATOM 1242 CB PRO A 76 3.280 2.612 -14.594 1.00 0.00 C ATOM 1243 CG PRO A 76 2.298 3.775 -14.701 1.00 0.00 C ATOM 1244 CD PRO A 76 2.274 4.525 -13.381 1.00 0.00 C ATOM 0 HA PRO A 76 2.967 1.304 -13.008 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.257 2.881 -14.995 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.931 1.747 -15.157 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.594 4.444 -15.509 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.301 3.405 -14.942 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.987 5.348 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.294 4.943 -13.149 1.00 0.00 H new ATOM 1252 N GLY A 77 5.169 1.165 -12.077 1.00 0.00 N ATOM 1253 CA GLY A 77 6.482 1.006 -11.413 1.00 0.00 C ATOM 1254 C GLY A 77 6.435 0.974 -9.912 1.00 0.00 C ATOM 1255 O GLY A 77 7.455 0.924 -9.193 1.00 0.00 O ATOM 0 H GLY A 77 4.605 0.320 -12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.942 0.083 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.131 1.825 -11.724 1.00 0.00 H new ATOM 1259 N THR A 78 5.232 1.121 -9.281 1.00 0.00 N ATOM 1260 CA THR A 78 5.123 1.161 -7.815 1.00 0.00 C ATOM 1261 C THR A 78 5.490 -0.182 -7.337 1.00 0.00 C ATOM 1262 O THR A 78 5.204 -1.114 -8.107 1.00 0.00 O ATOM 1263 CB THR A 78 3.693 1.650 -7.381 1.00 0.00 C ATOM 1264 OG1 THR A 78 3.750 1.628 -5.969 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.674 0.773 -8.014 1.00 0.00 C ATOM 0 H THR A 78 4.342 1.212 -9.770 1.00 0.00 H new ATOM 0 HA THR A 78 5.798 1.885 -7.359 1.00 0.00 H new ATOM 0 HB THR A 78 3.405 2.650 -7.705 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.891 1.924 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.677 1.102 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.769 0.828 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.827 -0.256 -7.688 1.00 0.00 H new ATOM 1273 N LYS A 79 6.101 -0.365 -6.197 1.00 0.00 N ATOM 1274 CA LYS A 79 6.388 -1.639 -5.673 1.00 0.00 C ATOM 1275 C LYS A 79 5.361 -2.182 -4.748 1.00 0.00 C ATOM 1276 O LYS A 79 5.518 -3.216 -4.116 1.00 0.00 O ATOM 1277 CB LYS A 79 7.681 -1.673 -4.827 1.00 0.00 C ATOM 1278 CG LYS A 79 7.708 -0.790 -3.640 1.00 0.00 C ATOM 1279 CD LYS A 79 9.116 -0.772 -3.004 1.00 0.00 C ATOM 1280 CE LYS A 79 9.264 0.347 -2.045 1.00 0.00 C ATOM 1281 NZ LYS A 79 10.380 0.287 -1.068 1.00 0.00 N ATOM 0 H LYS A 79 6.415 0.402 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 79 6.455 -2.231 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.847 -2.698 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.519 -1.407 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.420 0.221 -3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.977 -1.134 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.297 -1.717 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.869 -0.684 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.373 1.267 -2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.333 0.430 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.895 1.191 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.999 0.111 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.029 -0.483 -1.329 1.00 0.00 H new ATOM 1295 N MET A 80 4.236 -1.413 -4.710 1.00 0.00 N ATOM 1296 CA MET A 80 3.040 -1.932 -3.928 1.00 0.00 C ATOM 1297 C MET A 80 2.415 -3.074 -4.697 1.00 0.00 C ATOM 1298 O MET A 80 1.831 -2.758 -5.751 1.00 0.00 O ATOM 1299 CB MET A 80 1.980 -0.837 -3.669 1.00 0.00 C ATOM 1300 CG MET A 80 0.583 -1.275 -3.164 1.00 0.00 C ATOM 1301 SD MET A 80 -0.286 -0.061 -2.334 1.00 0.00 S ATOM 1302 CE MET A 80 -1.958 -0.660 -2.603 1.00 0.00 C ATOM 0 H MET A 80 4.117 -0.507 -5.163 1.00 0.00 H new ATOM 0 HA MET A 80 3.396 -2.267 -2.954 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.393 -0.139 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.840 -0.283 -4.597 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.009 -1.609 -4.016 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.703 -2.134 -2.503 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.667 0.006 -2.111 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.167 -0.686 -3.672 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.056 -1.664 -2.189 1.00 0.00 H new ATOM 1312 N ALA A 81 2.654 -4.266 -4.161 1.00 0.00 N ATOM 1313 CA ALA A 81 2.133 -5.493 -4.731 1.00 0.00 C ATOM 1314 C ALA A 81 0.708 -5.858 -4.271 1.00 0.00 C ATOM 1315 O ALA A 81 0.420 -6.800 -3.488 1.00 0.00 O ATOM 1316 CB ALA A 81 3.009 -6.748 -4.522 1.00 0.00 C ATOM 0 H ALA A 81 3.214 -4.404 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 81 2.131 -5.233 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.528 -7.609 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.987 -6.589 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.131 -6.933 -3.455 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.251 -5.100 -4.823 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.668 -5.263 -4.513 1.00 0.00 C ATOM 1324 C PHE A 82 -2.405 -5.157 -5.839 1.00 0.00 C ATOM 1325 O PHE A 82 -2.218 -4.180 -6.575 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.126 -4.225 -3.450 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.640 -4.230 -3.202 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -4.222 -5.250 -2.512 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -4.417 -3.190 -3.735 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -5.596 -5.250 -2.229 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -5.777 -3.144 -3.459 1.00 0.00 C ATOM 1332 CZ PHE A 82 -6.342 -4.187 -2.713 1.00 0.00 C ATOM 0 H PHE A 82 -0.060 -4.358 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.886 -6.229 -4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.611 -4.428 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.822 -3.229 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.613 -6.076 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.961 -2.432 -4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.053 -6.045 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.385 -2.324 -3.811 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.402 -4.161 -2.507 1.00 0.00 H new ATOM 1342 N GLY A 83 -3.188 -6.159 -6.178 1.00 0.00 N ATOM 1343 CA GLY A 83 -3.906 -6.203 -7.404 1.00 0.00 C ATOM 1344 C GLY A 83 -4.942 -5.121 -7.555 1.00 0.00 C ATOM 1345 O GLY A 83 -5.063 -4.674 -8.707 1.00 0.00 O ATOM 0 H GLY A 83 -3.337 -6.976 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.198 -6.129 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.396 -7.173 -7.490 1.00 0.00 H new ATOM 1349 N GLY A 84 -5.685 -4.856 -6.487 1.00 0.00 N ATOM 1350 CA GLY A 84 -6.759 -3.824 -6.657 1.00 0.00 C ATOM 1351 C GLY A 84 -8.095 -4.288 -6.032 1.00 0.00 C ATOM 1352 O GLY A 84 -8.331 -5.491 -5.874 1.00 0.00 O ATOM 0 H GLY A 84 -5.598 -5.283 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.444 -2.890 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.904 -3.620 -7.718 1.00 0.00 H new ATOM 1356 N LEU A 85 -8.940 -3.330 -5.842 1.00 0.00 N ATOM 1357 CA LEU A 85 -10.295 -3.468 -5.268 1.00 0.00 C ATOM 1358 C LEU A 85 -11.239 -2.963 -6.395 1.00 0.00 C ATOM 1359 O LEU A 85 -11.352 -1.769 -6.570 1.00 0.00 O ATOM 1360 CB LEU A 85 -10.350 -2.636 -3.989 1.00 0.00 C ATOM 1361 CG LEU A 85 -10.102 -3.257 -2.634 1.00 0.00 C ATOM 1362 CD1 LEU A 85 -10.005 -2.208 -1.567 1.00 0.00 C ATOM 1363 CD2 LEU A 85 -11.260 -4.147 -2.243 1.00 0.00 C ATOM 0 H LEU A 85 -8.720 -2.365 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.582 -4.479 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.627 -1.828 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.338 -2.177 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.171 -3.818 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.826 -2.685 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.181 -1.532 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.937 -1.644 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.067 -4.587 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.175 -3.556 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.375 -4.940 -2.981 1.00 0.00 H new ATOM 1375 N LYS A 86 -11.748 -3.925 -7.114 1.00 0.00 N ATOM 1376 CA LYS A 86 -12.584 -3.611 -8.280 1.00 0.00 C ATOM 1377 C LYS A 86 -13.936 -3.090 -7.976 1.00 0.00 C ATOM 1378 O LYS A 86 -14.344 -2.329 -8.873 1.00 0.00 O ATOM 1379 CB LYS A 86 -12.764 -4.822 -9.211 1.00 0.00 C ATOM 1380 CG LYS A 86 -11.448 -5.529 -9.460 1.00 0.00 C ATOM 1381 CD LYS A 86 -10.311 -4.508 -9.651 1.00 0.00 C ATOM 1382 CE LYS A 86 -8.891 -4.995 -9.821 1.00 0.00 C ATOM 1383 NZ LYS A 86 -8.090 -4.000 -10.623 1.00 0.00 N ATOM 0 H LYS A 86 -11.613 -4.920 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.018 -2.814 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.476 -5.520 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.187 -4.493 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.217 -6.185 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.530 -6.160 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.556 -3.907 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.325 -3.839 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.430 -5.141 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.889 -5.963 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.116 -4.347 -10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.523 -3.881 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.078 -3.085 -10.129 1.00 0.00 H new ATOM 1397 N LYS A 87 -14.547 -3.408 -6.894 1.00 0.00 N ATOM 1398 CA LYS A 87 -15.912 -2.910 -6.613 1.00 0.00 C ATOM 1399 C LYS A 87 -15.822 -1.583 -5.941 1.00 0.00 C ATOM 1400 O LYS A 87 -15.113 -1.367 -4.958 1.00 0.00 O ATOM 1401 CB LYS A 87 -16.566 -3.932 -5.665 1.00 0.00 C ATOM 1402 CG LYS A 87 -16.780 -5.238 -6.459 1.00 0.00 C ATOM 1403 CD LYS A 87 -17.356 -6.356 -5.615 1.00 0.00 C ATOM 1404 CE LYS A 87 -17.689 -7.611 -6.387 1.00 0.00 C ATOM 1405 NZ LYS A 87 -16.829 -7.794 -7.574 1.00 0.00 N ATOM 0 H LYS A 87 -14.154 -4.008 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.494 -2.796 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.930 -4.111 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.516 -3.552 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.448 -5.042 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.828 -5.561 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.643 -6.606 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.260 -5.996 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.584 -8.475 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.732 -7.574 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.943 -8.761 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.103 -7.112 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.835 -7.638 -7.310 1.00 0.00 H new ATOM 1419 N GLU A 88 -16.546 -0.645 -6.563 1.00 0.00 N ATOM 1420 CA GLU A 88 -16.660 0.674 -6.014 1.00 0.00 C ATOM 1421 C GLU A 88 -17.203 0.630 -4.554 1.00 0.00 C ATOM 1422 O GLU A 88 -16.828 1.437 -3.727 1.00 0.00 O ATOM 1423 CB GLU A 88 -17.556 1.594 -6.837 1.00 0.00 C ATOM 1424 CG GLU A 88 -17.750 3.045 -6.472 1.00 0.00 C ATOM 1425 CD GLU A 88 -18.839 3.613 -7.383 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -19.270 3.088 -8.355 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -19.372 4.725 -6.891 1.00 0.00 O ATOM 0 H GLU A 88 -17.050 -0.791 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.649 1.082 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -17.177 1.573 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -18.546 1.138 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -18.039 3.141 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.819 3.599 -6.598 1.00 0.00 H new ATOM 1434 N LYS A 89 -18.099 -0.260 -4.275 1.00 0.00 N ATOM 1435 CA LYS A 89 -18.690 -0.277 -2.930 1.00 0.00 C ATOM 1436 C LYS A 89 -17.654 -0.605 -1.850 1.00 0.00 C ATOM 1437 O LYS A 89 -17.702 -0.040 -0.781 1.00 0.00 O ATOM 1438 CB LYS A 89 -19.896 -1.116 -2.732 1.00 0.00 C ATOM 1439 CG LYS A 89 -19.774 -2.576 -3.117 1.00 0.00 C ATOM 1440 CD LYS A 89 -20.512 -3.432 -2.102 1.00 0.00 C ATOM 1441 CE LYS A 89 -21.437 -4.393 -2.829 1.00 0.00 C ATOM 1442 NZ LYS A 89 -22.294 -5.065 -1.854 1.00 0.00 N ATOM 0 H LYS A 89 -18.444 -0.972 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 89 -19.044 0.749 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.180 -1.063 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -20.714 -0.679 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.188 -2.736 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.724 -2.866 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.800 -3.987 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -21.086 -2.799 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.045 -3.853 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.854 -5.127 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.930 -5.724 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.704 -5.592 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.859 -4.357 -1.342 1.00 0.00 H new ATOM 1456 N ASP A 90 -16.779 -1.481 -2.215 1.00 0.00 N ATOM 1457 CA ASP A 90 -15.596 -1.900 -1.336 1.00 0.00 C ATOM 1458 C ASP A 90 -14.641 -0.764 -1.084 1.00 0.00 C ATOM 1459 O ASP A 90 -14.215 -0.469 0.024 1.00 0.00 O ATOM 1460 CB ASP A 90 -14.909 -3.021 -2.121 1.00 0.00 C ATOM 1461 CG ASP A 90 -15.662 -4.288 -1.975 1.00 0.00 C ATOM 1462 OD1 ASP A 90 -16.575 -4.336 -1.045 1.00 0.00 O ATOM 1463 OD2 ASP A 90 -15.394 -5.221 -2.710 1.00 0.00 O ATOM 0 H ASP A 90 -16.810 -1.959 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 90 -15.930 -2.218 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.843 -2.749 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.889 -3.153 -1.761 1.00 0.00 H new ATOM 1468 N ARG A 91 -14.264 -0.110 -2.205 1.00 0.00 N ATOM 1469 CA ARG A 91 -13.464 1.093 -2.129 1.00 0.00 C ATOM 1470 C ARG A 91 -14.153 2.182 -1.274 1.00 0.00 C ATOM 1471 O ARG A 91 -13.399 2.770 -0.462 1.00 0.00 O ATOM 1472 CB ARG A 91 -13.170 1.585 -3.542 1.00 0.00 C ATOM 1473 CG ARG A 91 -12.425 0.613 -4.419 1.00 0.00 C ATOM 1474 CD ARG A 91 -11.742 1.256 -5.575 1.00 0.00 C ATOM 1475 NE ARG A 91 -12.641 2.055 -6.447 1.00 0.00 N ATOM 1476 CZ ARG A 91 -13.320 1.566 -7.462 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -13.328 0.297 -7.801 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -14.090 2.352 -8.167 1.00 0.00 N ATOM 0 H ARG A 91 -14.506 -0.404 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.522 0.865 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.114 1.836 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.591 2.506 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.684 0.087 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.123 -0.137 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.949 1.903 -5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.264 0.482 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.738 3.050 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.784 -0.378 -7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.878 -0.014 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.163 3.341 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.618 1.976 -8.955 1.00 0.00 H new ATOM 1492 N ASN A 92 -15.462 2.391 -1.454 1.00 0.00 N ATOM 1493 CA ASN A 92 -16.136 3.450 -0.667 1.00 0.00 C ATOM 1494 C ASN A 92 -16.063 3.125 0.801 1.00 0.00 C ATOM 1495 O ASN A 92 -15.722 4.085 1.526 1.00 0.00 O ATOM 1496 CB ASN A 92 -17.574 3.700 -1.138 1.00 0.00 C ATOM 1497 CG ASN A 92 -17.592 4.302 -2.528 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -16.569 4.848 -2.987 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -18.726 4.076 -3.204 1.00 0.00 N ATOM 0 H ASN A 92 -16.058 1.875 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.606 4.388 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -18.129 2.762 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -18.078 4.370 -0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.802 4.359 -4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -19.513 3.621 -2.742 1.00 0.00 H new ATOM 1506 N ASP A 93 -16.375 1.880 1.162 1.00 0.00 N ATOM 1507 CA ASP A 93 -16.225 1.438 2.485 1.00 0.00 C ATOM 1508 C ASP A 93 -14.759 1.701 3.006 1.00 0.00 C ATOM 1509 O ASP A 93 -14.591 2.332 4.044 1.00 0.00 O ATOM 1510 CB ASP A 93 -16.627 -0.011 2.667 1.00 0.00 C ATOM 1511 CG ASP A 93 -18.141 -0.231 2.535 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -18.908 0.760 2.629 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -18.502 -1.390 2.187 1.00 0.00 O ATOM 0 H ASP A 93 -16.737 1.174 0.520 1.00 0.00 H new ATOM 0 HA ASP A 93 -16.913 2.025 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.110 -0.622 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.299 -0.353 3.649 1.00 0.00 H new ATOM 1518 N LEU A 94 -13.790 1.207 2.310 1.00 0.00 N ATOM 1519 CA LEU A 94 -12.394 1.332 2.793 1.00 0.00 C ATOM 1520 C LEU A 94 -11.975 2.748 2.932 1.00 0.00 C ATOM 1521 O LEU A 94 -11.433 3.143 3.974 1.00 0.00 O ATOM 1522 CB LEU A 94 -11.467 0.525 1.895 1.00 0.00 C ATOM 1523 CG LEU A 94 -10.011 0.666 2.387 1.00 0.00 C ATOM 1524 CD1 LEU A 94 -9.936 -0.060 3.655 1.00 0.00 C ATOM 1525 CD2 LEU A 94 -9.019 0.146 1.389 1.00 0.00 C ATOM 0 H LEU A 94 -13.901 0.718 1.422 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.333 0.916 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.763 -0.524 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.548 0.874 0.865 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.751 1.716 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.923 0.006 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.634 0.379 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.194 -1.106 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.010 0.268 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.211 -0.911 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.115 0.703 0.457 1.00 0.00 H new ATOM 1537 N ILE A 95 -12.202 3.593 1.979 1.00 0.00 N ATOM 1538 CA ILE A 95 -11.827 5.005 2.022 1.00 0.00 C ATOM 1539 C ILE A 95 -12.545 5.747 3.160 1.00 0.00 C ATOM 1540 O ILE A 95 -12.050 6.693 3.818 1.00 0.00 O ATOM 1541 CB ILE A 95 -12.064 5.657 0.685 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -11.111 4.965 -0.288 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -11.713 7.156 0.751 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -11.293 5.324 -1.741 1.00 0.00 C ATOM 0 H ILE A 95 -12.669 3.329 1.111 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.760 5.066 2.236 1.00 0.00 H new ATOM 0 HB ILE A 95 -13.107 5.567 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.088 5.203 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.230 3.887 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.889 7.614 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.337 7.643 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.664 7.272 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.568 4.778 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.302 5.058 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.142 6.395 -1.873 1.00 0.00 H new ATOM 1556 N THR A 96 -13.790 5.294 3.397 1.00 0.00 N ATOM 1557 CA THR A 96 -14.593 5.863 4.499 1.00 0.00 C ATOM 1558 C THR A 96 -13.812 5.658 5.820 1.00 0.00 C ATOM 1559 O THR A 96 -13.793 6.537 6.690 1.00 0.00 O ATOM 1560 CB THR A 96 -16.093 5.425 4.511 1.00 0.00 C ATOM 1561 OG1 THR A 96 -16.511 5.872 3.242 1.00 0.00 O ATOM 1562 CG2 THR A 96 -16.755 5.998 5.732 1.00 0.00 C ATOM 0 H THR A 96 -14.252 4.560 2.861 1.00 0.00 H new ATOM 0 HA THR A 96 -14.711 6.935 4.344 1.00 0.00 H new ATOM 0 HB THR A 96 -16.334 4.367 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.406 5.148 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 96 -17.803 5.699 5.752 1.00 0.00 H new ATOM 0 HG22 THR A 96 -16.255 5.626 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 96 -16.688 7.086 5.705 1.00 0.00 H new ATOM 1570 N TYR A 97 -13.282 4.474 6.039 1.00 0.00 N ATOM 1571 CA TYR A 97 -12.484 4.020 7.161 1.00 0.00 C ATOM 1572 C TYR A 97 -11.117 4.715 7.161 1.00 0.00 C ATOM 1573 O TYR A 97 -10.717 5.332 8.204 1.00 0.00 O ATOM 1574 CB TYR A 97 -12.199 2.467 7.067 1.00 0.00 C ATOM 1575 CG TYR A 97 -11.256 2.083 8.163 1.00 0.00 C ATOM 1576 CD1 TYR A 97 -11.594 2.138 9.518 1.00 0.00 C ATOM 1577 CD2 TYR A 97 -9.922 1.834 7.829 1.00 0.00 C ATOM 1578 CE1 TYR A 97 -10.656 1.800 10.495 1.00 0.00 C ATOM 1579 CE2 TYR A 97 -8.970 1.584 8.765 1.00 0.00 C ATOM 1580 CZ TYR A 97 -9.317 1.557 10.119 1.00 0.00 C ATOM 1581 OH TYR A 97 -8.325 1.284 11.014 1.00 0.00 O ATOM 0 H TYR A 97 -13.414 3.723 5.361 1.00 0.00 H new ATOM 0 HA TYR A 97 -13.049 4.253 8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -13.130 1.906 7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -11.770 2.220 6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.587 2.444 9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.637 1.841 6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.952 1.725 11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.948 1.407 8.464 1.00 0.00 H new ATOM 0 HH TYR A 97 -7.549 0.918 10.541 1.00 0.00 H new ATOM 1591 N LEU A 98 -10.547 4.813 5.967 1.00 0.00 N ATOM 1592 CA LEU A 98 -9.249 5.570 5.954 1.00 0.00 C ATOM 1593 C LEU A 98 -9.419 7.050 6.283 1.00 0.00 C ATOM 1594 O LEU A 98 -8.569 7.544 7.104 1.00 0.00 O ATOM 1595 CB LEU A 98 -8.475 5.333 4.682 1.00 0.00 C ATOM 1596 CG LEU A 98 -7.927 3.935 4.375 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -7.385 3.927 2.957 1.00 0.00 C ATOM 1598 CD2 LEU A 98 -6.836 3.499 5.304 1.00 0.00 C ATOM 0 H LEU A 98 -10.888 4.439 5.082 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.644 5.165 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.119 5.620 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.630 6.021 4.682 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.753 3.236 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.991 2.938 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.186 4.172 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.588 4.665 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.498 2.501 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.001 4.196 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.214 3.482 6.326 1.00 0.00 H new ATOM 1610 N LYS A 99 -10.402 7.695 5.677 1.00 0.00 N ATOM 1611 CA LYS A 99 -10.711 9.113 5.964 1.00 0.00 C ATOM 1612 C LYS A 99 -10.723 9.393 7.448 1.00 0.00 C ATOM 1613 O LYS A 99 -10.270 10.393 8.002 1.00 0.00 O ATOM 1614 CB LYS A 99 -12.137 9.478 5.448 1.00 0.00 C ATOM 1615 CG LYS A 99 -12.772 10.767 6.011 1.00 0.00 C ATOM 1616 CD LYS A 99 -14.235 11.126 5.800 1.00 0.00 C ATOM 1617 CE LYS A 99 -15.162 9.945 5.595 1.00 0.00 C ATOM 1618 NZ LYS A 99 -15.454 9.314 6.919 1.00 0.00 N ATOM 0 H LYS A 99 -11.010 7.269 4.978 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.937 9.698 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.093 9.567 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.803 8.645 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.610 10.748 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.188 11.598 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.582 11.695 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.311 11.783 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.088 10.272 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.702 9.218 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.261 8.293 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.851 9.744 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.454 9.465 7.163 1.00 0.00 H new ATOM 1632 N LYS A 100 -11.373 8.490 8.160 1.00 0.00 N ATOM 1633 CA LYS A 100 -11.487 8.549 9.611 1.00 0.00 C ATOM 1634 C LYS A 100 -10.280 8.176 10.442 1.00 0.00 C ATOM 1635 O LYS A 100 -10.077 8.912 11.427 1.00 0.00 O ATOM 1636 CB LYS A 100 -12.670 7.668 10.075 1.00 0.00 C ATOM 1637 CG LYS A 100 -13.898 8.125 9.272 1.00 0.00 C ATOM 1638 CD LYS A 100 -14.329 9.483 9.922 1.00 0.00 C ATOM 1639 CE LYS A 100 -15.302 9.196 11.068 1.00 0.00 C ATOM 1640 NZ LYS A 100 -15.669 10.439 11.790 1.00 0.00 N ATOM 0 H LYS A 100 -11.843 7.685 7.745 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.626 9.615 9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.461 6.613 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -12.842 7.782 11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.654 8.253 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.701 7.390 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.455 10.017 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.801 10.124 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.202 8.723 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.849 8.489 11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.329 10.211 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.812 10.876 12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.123 11.103 11.130 1.00 0.00 H new ATOM 1654 N ALA A 101 -9.634 7.077 10.091 1.00 0.00 N ATOM 1655 CA ALA A 101 -8.534 6.577 10.939 1.00 0.00 C ATOM 1656 C ALA A 101 -7.217 7.243 10.695 1.00 0.00 C ATOM 1657 O ALA A 101 -6.385 7.262 11.626 1.00 0.00 O ATOM 1658 CB ALA A 101 -8.264 5.082 10.766 1.00 0.00 C ATOM 0 H ALA A 101 -9.832 6.522 9.258 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.901 6.805 11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.444 4.782 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.160 4.518 11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.996 4.878 9.729 1.00 0.00 H new ATOM 1664 N THR A 102 -7.119 7.804 9.557 1.00 0.00 N ATOM 1665 CA THR A 102 -5.842 8.562 9.223 1.00 0.00 C ATOM 1666 C THR A 102 -5.799 10.021 9.602 1.00 0.00 C ATOM 1667 O THR A 102 -4.851 10.759 9.385 1.00 0.00 O ATOM 1668 CB THR A 102 -5.594 8.524 7.720 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.382 9.219 7.418 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.757 9.196 6.996 1.00 0.00 C ATOM 0 H THR A 102 -7.833 7.794 8.829 1.00 0.00 H new ATOM 0 HA THR A 102 -5.091 8.046 9.821 1.00 0.00 H new ATOM 0 HB THR A 102 -5.510 7.488 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.686 8.573 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.580 9.169 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.682 8.667 7.225 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.840 10.232 7.324 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.799 10.533 10.267 1.00 0.00 N ATOM 1679 CA GLU A 103 -6.771 11.961 10.639 1.00 0.00 C ATOM 1680 C GLU A 103 -6.096 12.119 12.002 1.00 0.00 C ATOM 1681 O GLU A 103 -5.570 13.250 12.188 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.206 12.405 10.815 1.00 0.00 C ATOM 1683 CG GLU A 103 -8.561 13.892 10.867 1.00 0.00 C ATOM 1684 CD GLU A 103 -7.969 14.563 9.662 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.095 13.799 8.597 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -7.332 15.589 9.637 1.00 0.00 O ATOM 1687 OXT GLU A 103 -6.542 11.288 12.828 1.00 0.00 O ATOM 0 H GLU A 103 -7.629 10.019 10.565 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.241 12.535 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.780 11.966 9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.570 11.955 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.643 14.023 10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.173 14.343 11.781 1.00 0.00 H new TER 1694 GLU A 103 ATOM 1695 N LYS B 6 15.921 -37.088 3.381 1.00 0.00 N ATOM 1696 CA LYS B 6 15.465 -35.945 4.188 1.00 0.00 C ATOM 1697 C LYS B 6 16.639 -35.295 4.905 1.00 0.00 C ATOM 1698 O LYS B 6 17.683 -35.937 5.112 1.00 0.00 O ATOM 1699 CB LYS B 6 14.393 -36.393 5.175 1.00 0.00 C ATOM 1700 CG LYS B 6 14.464 -37.869 5.547 1.00 0.00 C ATOM 1701 CD LYS B 6 13.595 -38.198 6.752 1.00 0.00 C ATOM 1702 CE LYS B 6 13.817 -39.619 7.231 1.00 0.00 C ATOM 1703 NZ LYS B 6 13.768 -39.725 8.723 1.00 0.00 N ATOM 0 HA LYS B 6 15.026 -35.198 3.526 1.00 0.00 H new ATOM 0 HB2 LYS B 6 14.479 -35.796 6.083 1.00 0.00 H new ATOM 0 HB3 LYS B 6 13.412 -36.184 4.748 1.00 0.00 H new ATOM 0 HG2 LYS B 6 14.147 -38.472 4.696 1.00 0.00 H new ATOM 0 HG3 LYS B 6 15.498 -38.139 5.762 1.00 0.00 H new ATOM 0 HD2 LYS B 6 13.816 -37.502 7.561 1.00 0.00 H new ATOM 0 HD3 LYS B 6 12.545 -38.061 6.492 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.058 -40.270 6.797 1.00 0.00 H new ATOM 0 HE3 LYS B 6 14.784 -39.974 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 13.925 -40.713 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 14.509 -39.124 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 12.837 -39.411 9.063 1.00 0.00 H new ATOM 1717 N ILE B 7 16.546 -33.997 5.178 1.00 0.00 N ATOM 1718 CA ILE B 7 17.628 -33.277 5.837 1.00 0.00 C ATOM 1719 C ILE B 7 17.107 -32.465 7.031 1.00 0.00 C ATOM 1720 O ILE B 7 15.964 -32.020 7.048 1.00 0.00 O ATOM 1721 CB ILE B 7 18.374 -32.315 4.911 1.00 0.00 C ATOM 1722 CG1 ILE B 7 17.442 -31.195 4.438 1.00 0.00 C ATOM 1723 CG2 ILE B 7 19.065 -32.991 3.755 1.00 0.00 C ATOM 1724 CD1 ILE B 7 18.177 -29.925 4.076 1.00 0.00 C ATOM 0 H ILE B 7 15.733 -33.424 4.953 1.00 0.00 H new ATOM 0 HA ILE B 7 18.322 -34.052 6.164 1.00 0.00 H new ATOM 0 HB ILE B 7 19.178 -31.878 5.504 1.00 0.00 H new ATOM 0 HG12 ILE B 7 16.879 -31.541 3.572 1.00 0.00 H new ATOM 0 HG13 ILE B 7 16.718 -30.977 5.223 1.00 0.00 H new ATOM 0 HG21 ILE B 7 19.571 -32.242 3.145 1.00 0.00 H new ATOM 0 HG22 ILE B 7 19.796 -33.704 4.135 1.00 0.00 H new ATOM 0 HG23 ILE B 7 18.328 -33.516 3.147 1.00 0.00 H new ATOM 0 HD11 ILE B 7 17.461 -29.171 3.749 1.00 0.00 H new ATOM 0 HD12 ILE B 7 18.719 -29.557 4.947 1.00 0.00 H new ATOM 0 HD13 ILE B 7 18.882 -30.130 3.270 1.00 0.00 H new ATOM 1736 N THR B 8 18.004 -32.222 7.984 1.00 0.00 N ATOM 1737 CA THR B 8 17.682 -31.448 9.167 1.00 0.00 C ATOM 1738 C THR B 8 17.902 -29.951 8.919 1.00 0.00 C ATOM 1739 O THR B 8 18.888 -29.549 8.299 1.00 0.00 O ATOM 1740 CB THR B 8 18.517 -31.860 10.389 1.00 0.00 C ATOM 1741 OG1 THR B 8 18.464 -33.282 10.575 1.00 0.00 O ATOM 1742 CG2 THR B 8 17.982 -31.194 11.655 1.00 0.00 C ATOM 0 H THR B 8 18.967 -32.556 7.953 1.00 0.00 H new ATOM 0 HA THR B 8 16.632 -31.649 9.378 1.00 0.00 H new ATOM 0 HB THR B 8 19.544 -31.544 10.209 1.00 0.00 H new ATOM 0 HG1 THR B 8 19.002 -33.530 11.356 1.00 0.00 H new ATOM 0 HG21 THR B 8 18.587 -31.498 12.509 1.00 0.00 H new ATOM 0 HG22 THR B 8 18.030 -30.111 11.544 1.00 0.00 H new ATOM 0 HG23 THR B 8 16.947 -31.497 11.816 1.00 0.00 H new ATOM 1750 N VAL B 9 16.933 -29.151 9.352 1.00 0.00 N ATOM 1751 CA VAL B 9 17.071 -27.684 9.249 1.00 0.00 C ATOM 1752 C VAL B 9 16.752 -27.076 10.623 1.00 0.00 C ATOM 1753 O VAL B 9 15.751 -27.455 11.232 1.00 0.00 O ATOM 1754 CB VAL B 9 16.120 -27.084 8.213 1.00 0.00 C ATOM 1755 CG1 VAL B 9 16.227 -25.551 8.234 1.00 0.00 C ATOM 1756 CG2 VAL B 9 16.407 -27.582 6.808 1.00 0.00 C ATOM 0 H VAL B 9 16.060 -29.473 9.769 1.00 0.00 H new ATOM 0 HA VAL B 9 18.089 -27.458 8.933 1.00 0.00 H new ATOM 0 HB VAL B 9 15.112 -27.401 8.481 1.00 0.00 H new ATOM 0 HG11 VAL B 9 15.547 -25.129 7.494 1.00 0.00 H new ATOM 0 HG12 VAL B 9 15.961 -25.181 9.224 1.00 0.00 H new ATOM 0 HG13 VAL B 9 17.249 -25.254 7.999 1.00 0.00 H new ATOM 0 HG21 VAL B 9 15.705 -27.126 6.110 1.00 0.00 H new ATOM 0 HG22 VAL B 9 17.425 -27.312 6.527 1.00 0.00 H new ATOM 0 HG23 VAL B 9 16.298 -28.666 6.777 1.00 0.00 H new ATOM 1766 N HIS B 10 17.599 -26.165 11.080 1.00 0.00 N ATOM 1767 CA HIS B 10 17.352 -25.492 12.367 1.00 0.00 C ATOM 1768 C HIS B 10 16.910 -24.041 12.102 1.00 0.00 C ATOM 1769 O HIS B 10 17.537 -23.371 11.291 1.00 0.00 O ATOM 1770 CB HIS B 10 18.660 -25.439 13.165 1.00 0.00 C ATOM 1771 CG HIS B 10 19.326 -26.762 13.355 1.00 0.00 C ATOM 1772 ND1 HIS B 10 18.861 -27.717 14.234 1.00 0.00 N ATOM 1773 CD2 HIS B 10 20.464 -27.267 12.807 1.00 0.00 C ATOM 1774 CE1 HIS B 10 19.670 -28.770 14.194 1.00 0.00 C ATOM 1775 NE2 HIS B 10 20.643 -28.520 13.352 1.00 0.00 N ATOM 0 H HIS B 10 18.449 -25.873 10.598 1.00 0.00 H new ATOM 0 HA HIS B 10 16.584 -26.036 12.917 1.00 0.00 H new ATOM 0 HB2 HIS B 10 19.353 -24.768 12.658 1.00 0.00 H new ATOM 0 HB3 HIS B 10 18.456 -25.006 14.144 1.00 0.00 H new ATOM 0 HD2 HIS B 10 21.103 -26.780 12.085 1.00 0.00 H new ATOM 0 HE1 HIS B 10 19.547 -29.681 14.761 1.00 0.00 H new ATOM 0 HE2 HIS B 10 21.412 -29.154 13.134 1.00 0.00 H new ATOM 1783 N PHE B 11 15.877 -23.598 12.785 1.00 0.00 N ATOM 1784 CA PHE B 11 15.386 -22.236 12.648 1.00 0.00 C ATOM 1785 C PHE B 11 15.547 -21.517 14.001 1.00 0.00 C ATOM 1786 O PHE B 11 15.041 -22.020 15.007 1.00 0.00 O ATOM 1787 CB PHE B 11 13.898 -22.201 12.296 1.00 0.00 C ATOM 1788 CG PHE B 11 13.493 -22.732 10.974 1.00 0.00 C ATOM 1789 CD1 PHE B 11 13.503 -24.099 10.710 1.00 0.00 C ATOM 1790 CD2 PHE B 11 13.035 -21.885 9.970 1.00 0.00 C ATOM 1791 CE1 PHE B 11 13.103 -24.590 9.497 1.00 0.00 C ATOM 1792 CE2 PHE B 11 12.628 -22.376 8.750 1.00 0.00 C ATOM 1793 CZ PHE B 11 12.645 -23.735 8.509 1.00 0.00 C ATOM 0 H PHE B 11 15.352 -24.166 13.450 1.00 0.00 H new ATOM 0 HA PHE B 11 15.955 -21.757 11.852 1.00 0.00 H new ATOM 0 HB2 PHE B 11 13.359 -22.759 13.062 1.00 0.00 H new ATOM 0 HB3 PHE B 11 13.562 -21.166 12.359 1.00 0.00 H new ATOM 0 HD1 PHE B 11 13.833 -24.785 11.477 1.00 0.00 H new ATOM 0 HD2 PHE B 11 12.998 -20.821 10.151 1.00 0.00 H new ATOM 0 HE1 PHE B 11 13.145 -25.653 9.309 1.00 0.00 H new ATOM 0 HE2 PHE B 11 12.295 -21.696 7.980 1.00 0.00 H new ATOM 0 HZ PHE B 11 12.305 -24.127 7.562 1.00 0.00 H new ATOM 1803 N ILE B 12 16.289 -20.423 14.006 1.00 0.00 N ATOM 1804 CA ILE B 12 16.339 -19.574 15.192 1.00 0.00 C ATOM 1805 C ILE B 12 15.187 -18.557 15.084 1.00 0.00 C ATOM 1806 O ILE B 12 15.213 -17.674 14.243 1.00 0.00 O ATOM 1807 CB ILE B 12 17.653 -18.838 15.392 1.00 0.00 C ATOM 1808 CG1 ILE B 12 18.835 -19.809 15.427 1.00 0.00 C ATOM 1809 CG2 ILE B 12 17.620 -18.046 16.722 1.00 0.00 C ATOM 1810 CD1 ILE B 12 20.184 -19.131 15.420 1.00 0.00 C ATOM 0 H ILE B 12 16.856 -20.103 13.221 1.00 0.00 H new ATOM 0 HA ILE B 12 16.243 -20.225 16.061 1.00 0.00 H new ATOM 0 HB ILE B 12 17.780 -18.157 14.551 1.00 0.00 H new ATOM 0 HG12 ILE B 12 18.756 -20.430 16.319 1.00 0.00 H new ATOM 0 HG13 ILE B 12 18.770 -20.476 14.567 1.00 0.00 H new ATOM 0 HG21 ILE B 12 18.566 -17.522 16.857 1.00 0.00 H new ATOM 0 HG22 ILE B 12 16.805 -17.323 16.695 1.00 0.00 H new ATOM 0 HG23 ILE B 12 17.466 -18.735 17.552 1.00 0.00 H new ATOM 0 HD11 ILE B 12 20.970 -19.885 15.446 1.00 0.00 H new ATOM 0 HD12 ILE B 12 20.286 -18.532 14.515 1.00 0.00 H new ATOM 0 HD13 ILE B 12 20.271 -18.485 16.294 1.00 0.00 H new ATOM 1822 N ASN B 13 14.148 -18.807 15.873 1.00 0.00 N ATOM 1823 CA ASN B 13 12.941 -17.950 15.781 1.00 0.00 C ATOM 1824 C ASN B 13 13.229 -16.601 16.382 1.00 0.00 C ATOM 1825 O ASN B 13 14.276 -16.434 17.036 1.00 0.00 O ATOM 1826 CB ASN B 13 11.789 -18.671 16.469 1.00 0.00 C ATOM 1827 CG ASN B 13 10.432 -18.136 16.092 1.00 0.00 C ATOM 1828 OD1 ASN B 13 10.327 -17.177 15.316 1.00 0.00 O ATOM 1829 ND2 ASN B 13 9.384 -18.734 16.653 1.00 0.00 N ATOM 0 H ASN B 13 14.101 -19.559 16.560 1.00 0.00 H new ATOM 0 HA ASN B 13 12.658 -17.774 14.743 1.00 0.00 H new ATOM 0 HB2 ASN B 13 11.834 -19.731 16.220 1.00 0.00 H new ATOM 0 HB3 ASN B 13 11.915 -18.591 17.549 1.00 0.00 H new ATOM 0 HD21 ASN B 13 8.440 -18.405 16.450 1.00 0.00 H new ATOM 0 HD22 ASN B 13 9.525 -19.521 17.286 1.00 0.00 H new ATOM 1836 N ARG B 14 12.360 -15.614 16.213 1.00 0.00 N ATOM 1837 CA ARG B 14 12.624 -14.274 16.736 1.00 0.00 C ATOM 1838 C ARG B 14 12.657 -14.234 18.256 1.00 0.00 C ATOM 1839 O ARG B 14 13.329 -13.362 18.839 1.00 0.00 O ATOM 1840 CB ARG B 14 11.703 -13.222 16.188 1.00 0.00 C ATOM 1841 CG ARG B 14 10.617 -13.639 15.241 1.00 0.00 C ATOM 1842 CD ARG B 14 9.690 -12.458 14.905 1.00 0.00 C ATOM 1843 NE ARG B 14 9.540 -12.311 13.467 1.00 0.00 N ATOM 1844 CZ ARG B 14 8.729 -13.018 12.689 1.00 0.00 C ATOM 1845 NH1 ARG B 14 7.934 -13.949 13.190 1.00 0.00 N ATOM 1846 NH2 ARG B 14 8.689 -12.763 11.386 1.00 0.00 N ATOM 0 H ARG B 14 11.471 -15.711 15.722 1.00 0.00 H new ATOM 0 HA ARG B 14 13.624 -14.029 16.377 1.00 0.00 H new ATOM 0 HB2 ARG B 14 11.230 -12.723 17.034 1.00 0.00 H new ATOM 0 HB3 ARG B 14 12.316 -12.477 15.681 1.00 0.00 H new ATOM 0 HG2 ARG B 14 11.060 -14.030 14.325 1.00 0.00 H new ATOM 0 HG3 ARG B 14 10.035 -14.447 15.684 1.00 0.00 H new ATOM 0 HD2 ARG B 14 8.713 -12.615 15.363 1.00 0.00 H new ATOM 0 HD3 ARG B 14 10.096 -11.539 15.328 1.00 0.00 H new ATOM 0 HE ARG B 14 10.111 -11.598 13.013 1.00 0.00 H new ATOM 0 HH11 ARG B 14 7.936 -14.136 14.193 1.00 0.00 H new ATOM 0 HH12 ARG B 14 7.319 -14.480 12.574 1.00 0.00 H new ATOM 0 HH21 ARG B 14 9.278 -12.030 10.992 1.00 0.00 H new ATOM 0 HH22 ARG B 14 8.069 -13.301 10.780 1.00 0.00 H new ATOM 1860 N ASP B 15 11.980 -15.168 18.910 1.00 0.00 N ATOM 1861 CA ASP B 15 11.989 -15.280 20.358 1.00 0.00 C ATOM 1862 C ASP B 15 13.298 -15.848 20.881 1.00 0.00 C ATOM 1863 O ASP B 15 13.595 -15.745 22.077 1.00 0.00 O ATOM 1864 CB ASP B 15 10.803 -16.091 20.865 1.00 0.00 C ATOM 1865 CG ASP B 15 10.598 -17.416 20.179 1.00 0.00 C ATOM 1866 OD1 ASP B 15 11.472 -17.850 19.395 1.00 0.00 O ATOM 1867 OD2 ASP B 15 9.534 -18.059 20.406 1.00 0.00 O ATOM 0 H ASP B 15 11.406 -15.872 18.446 1.00 0.00 H new ATOM 0 HA ASP B 15 11.895 -14.267 20.749 1.00 0.00 H new ATOM 0 HB2 ASP B 15 10.933 -16.268 21.933 1.00 0.00 H new ATOM 0 HB3 ASP B 15 9.898 -15.495 20.749 1.00 0.00 H new ATOM 1872 N GLY B 16 14.111 -16.435 20.005 1.00 0.00 N ATOM 1873 CA GLY B 16 15.405 -16.966 20.405 1.00 0.00 C ATOM 1874 C GLY B 16 15.384 -18.485 20.499 1.00 0.00 C ATOM 1875 O GLY B 16 16.434 -19.107 20.648 1.00 0.00 O ATOM 0 H GLY B 16 13.894 -16.553 19.015 1.00 0.00 H new ATOM 0 HA2 GLY B 16 16.164 -16.656 19.686 1.00 0.00 H new ATOM 0 HA3 GLY B 16 15.689 -16.545 21.370 1.00 0.00 H new ATOM 1879 N GLU B 17 14.192 -19.075 20.405 1.00 0.00 N ATOM 1880 CA GLU B 17 14.082 -20.535 20.478 1.00 0.00 C ATOM 1881 C GLU B 17 14.527 -21.166 19.157 1.00 0.00 C ATOM 1882 O GLU B 17 14.222 -20.645 18.080 1.00 0.00 O ATOM 1883 CB GLU B 17 12.667 -20.975 20.808 1.00 0.00 C ATOM 1884 CG GLU B 17 11.956 -20.172 21.874 1.00 0.00 C ATOM 1885 CD GLU B 17 12.510 -20.415 23.262 1.00 0.00 C ATOM 1886 OE1 GLU B 17 13.626 -19.924 23.553 1.00 0.00 O ATOM 1887 OE2 GLU B 17 11.839 -21.097 24.064 1.00 0.00 O ATOM 0 H GLU B 17 13.308 -18.581 20.281 1.00 0.00 H new ATOM 0 HA GLU B 17 14.736 -20.874 21.281 1.00 0.00 H new ATOM 0 HB2 GLU B 17 12.073 -20.936 19.895 1.00 0.00 H new ATOM 0 HB3 GLU B 17 12.696 -22.017 21.125 1.00 0.00 H new ATOM 0 HG2 GLU B 17 12.036 -19.111 21.637 1.00 0.00 H new ATOM 0 HG3 GLU B 17 10.895 -20.422 21.863 1.00 0.00 H new ATOM 1894 N THR B 18 15.243 -22.287 19.250 1.00 0.00 N ATOM 1895 CA THR B 18 15.671 -23.001 18.071 1.00 0.00 C ATOM 1896 C THR B 18 14.683 -24.105 17.715 1.00 0.00 C ATOM 1897 O THR B 18 14.329 -24.943 18.545 1.00 0.00 O ATOM 1898 CB THR B 18 17.085 -23.575 18.185 1.00 0.00 C ATOM 1899 OG1 THR B 18 18.030 -22.487 18.192 1.00 0.00 O ATOM 1900 CG2 THR B 18 17.400 -24.471 16.991 1.00 0.00 C ATOM 0 H THR B 18 15.533 -22.710 20.132 1.00 0.00 H new ATOM 0 HA THR B 18 15.697 -22.263 17.269 1.00 0.00 H new ATOM 0 HB THR B 18 17.152 -24.159 19.103 1.00 0.00 H new ATOM 0 HG1 THR B 18 18.940 -22.844 18.267 1.00 0.00 H new ATOM 0 HG21 THR B 18 18.410 -24.869 17.091 1.00 0.00 H new ATOM 0 HG22 THR B 18 16.687 -25.295 16.956 1.00 0.00 H new ATOM 0 HG23 THR B 18 17.329 -23.890 16.071 1.00 0.00 H new ATOM 1908 N LEU B 19 14.143 -24.011 16.510 1.00 0.00 N ATOM 1909 CA LEU B 19 13.190 -24.999 16.012 1.00 0.00 C ATOM 1910 C LEU B 19 13.953 -25.973 15.107 1.00 0.00 C ATOM 1911 O LEU B 19 14.503 -25.537 14.101 1.00 0.00 O ATOM 1912 CB LEU B 19 12.101 -24.309 15.201 1.00 0.00 C ATOM 1913 CG LEU B 19 10.955 -23.614 15.856 1.00 0.00 C ATOM 1914 CD1 LEU B 19 11.102 -23.406 17.350 1.00 0.00 C ATOM 1915 CD2 LEU B 19 10.613 -22.288 15.166 1.00 0.00 C ATOM 0 H LEU B 19 14.348 -23.258 15.853 1.00 0.00 H new ATOM 0 HA LEU B 19 12.726 -25.526 16.846 1.00 0.00 H new ATOM 0 HB2 LEU B 19 12.597 -23.572 14.569 1.00 0.00 H new ATOM 0 HB3 LEU B 19 11.676 -25.063 14.538 1.00 0.00 H new ATOM 0 HG LEU B 19 10.124 -24.308 15.731 1.00 0.00 H new ATOM 0 HD11 LEU B 19 10.220 -22.894 17.735 1.00 0.00 H new ATOM 0 HD12 LEU B 19 11.204 -24.372 17.844 1.00 0.00 H new ATOM 0 HD13 LEU B 19 11.988 -22.802 17.548 1.00 0.00 H new ATOM 0 HD21 LEU B 19 9.773 -21.818 15.677 1.00 0.00 H new ATOM 0 HD22 LEU B 19 11.477 -21.625 15.203 1.00 0.00 H new ATOM 0 HD23 LEU B 19 10.345 -22.477 14.126 1.00 0.00 H new ATOM 1927 N THR B 20 14.036 -27.225 15.532 1.00 0.00 N ATOM 1928 CA THR B 20 14.758 -28.215 14.708 1.00 0.00 C ATOM 1929 C THR B 20 13.737 -29.099 14.009 1.00 0.00 C ATOM 1930 O THR B 20 12.791 -29.566 14.656 1.00 0.00 O ATOM 1931 CB THR B 20 15.727 -29.040 15.549 1.00 0.00 C ATOM 1932 OG1 THR B 20 16.673 -28.152 16.186 1.00 0.00 O ATOM 1933 CG2 THR B 20 16.493 -30.038 14.690 1.00 0.00 C ATOM 0 H THR B 20 13.636 -27.580 16.401 1.00 0.00 H new ATOM 0 HA THR B 20 15.361 -27.697 13.962 1.00 0.00 H new ATOM 0 HB THR B 20 15.151 -29.591 16.293 1.00 0.00 H new ATOM 0 HG1 THR B 20 17.420 -27.978 15.576 1.00 0.00 H new ATOM 0 HG21 THR B 20 17.175 -30.611 15.318 1.00 0.00 H new ATOM 0 HG22 THR B 20 15.790 -30.716 14.206 1.00 0.00 H new ATOM 0 HG23 THR B 20 17.062 -29.502 13.930 1.00 0.00 H new ATOM 1941 N THR B 21 13.826 -29.194 12.687 1.00 0.00 N ATOM 1942 CA THR B 21 12.858 -29.988 11.936 1.00 0.00 C ATOM 1943 C THR B 21 13.485 -30.589 10.691 1.00 0.00 C ATOM 1944 O THR B 21 14.646 -30.330 10.359 1.00 0.00 O ATOM 1945 CB THR B 21 11.608 -29.174 11.557 1.00 0.00 C ATOM 1946 OG1 THR B 21 10.566 -30.053 11.123 1.00 0.00 O ATOM 1947 CG2 THR B 21 11.913 -28.190 10.438 1.00 0.00 C ATOM 0 H THR B 21 14.544 -28.741 12.121 1.00 0.00 H new ATOM 0 HA THR B 21 12.543 -30.797 12.595 1.00 0.00 H new ATOM 0 HB THR B 21 11.291 -28.621 12.441 1.00 0.00 H new ATOM 0 HG1 THR B 21 9.786 -29.949 11.707 1.00 0.00 H new ATOM 0 HG21 THR B 21 11.012 -27.629 10.191 1.00 0.00 H new ATOM 0 HG22 THR B 21 12.692 -27.500 10.762 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.254 -28.735 9.557 1.00 0.00 H new ATOM 1955 N LYS B 22 12.727 -31.439 10.017 1.00 0.00 N ATOM 1956 CA LYS B 22 13.216 -32.113 8.821 1.00 0.00 C ATOM 1957 C LYS B 22 12.348 -31.786 7.618 1.00 0.00 C ATOM 1958 O LYS B 22 11.137 -31.589 7.757 1.00 0.00 O ATOM 1959 CB LYS B 22 13.255 -33.632 9.071 1.00 0.00 C ATOM 1960 CG LYS B 22 14.326 -34.037 10.088 1.00 0.00 C ATOM 1961 CD LYS B 22 14.786 -35.462 9.856 1.00 0.00 C ATOM 1962 CE LYS B 22 15.023 -36.190 11.175 1.00 0.00 C ATOM 1963 NZ LYS B 22 16.035 -37.282 10.997 1.00 0.00 N ATOM 0 H LYS B 22 11.770 -31.680 10.276 1.00 0.00 H new ATOM 0 HA LYS B 22 14.224 -31.760 8.603 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.279 -33.963 9.426 1.00 0.00 H new ATOM 0 HB3 LYS B 22 13.442 -34.146 8.128 1.00 0.00 H new ATOM 0 HG2 LYS B 22 15.177 -33.360 10.014 1.00 0.00 H new ATOM 0 HG3 LYS B 22 13.928 -33.940 11.098 1.00 0.00 H new ATOM 0 HD2 LYS B 22 14.037 -35.997 9.272 1.00 0.00 H new ATOM 0 HD3 LYS B 22 15.705 -35.459 9.270 1.00 0.00 H new ATOM 0 HE2 LYS B 22 15.370 -35.484 11.930 1.00 0.00 H new ATOM 0 HE3 LYS B 22 14.085 -36.611 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 16.185 -37.768 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 15.689 -37.964 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 16.934 -36.873 10.671 1.00 0.00 H new ATOM 1977 N GLY B 23 12.958 -31.682 6.456 1.00 0.00 N ATOM 1978 CA GLY B 23 12.270 -31.485 5.201 1.00 0.00 C ATOM 1979 C GLY B 23 12.912 -32.389 4.135 1.00 0.00 C ATOM 1980 O GLY B 23 14.018 -32.880 4.350 1.00 0.00 O ATOM 0 H GLY B 23 13.972 -31.734 6.358 1.00 0.00 H new ATOM 0 HA2 GLY B 23 11.212 -31.723 5.310 1.00 0.00 H new ATOM 0 HA3 GLY B 23 12.332 -30.440 4.897 1.00 0.00 H new ATOM 1984 N LYS B 24 12.239 -32.568 3.008 1.00 0.00 N ATOM 1985 CA LYS B 24 12.789 -33.396 1.938 1.00 0.00 C ATOM 1986 C LYS B 24 13.455 -32.535 0.876 1.00 0.00 C ATOM 1987 O LYS B 24 12.965 -31.448 0.561 1.00 0.00 O ATOM 1988 CB LYS B 24 11.713 -34.271 1.300 1.00 0.00 C ATOM 1989 CG LYS B 24 10.285 -33.950 1.690 1.00 0.00 C ATOM 1990 CD LYS B 24 9.354 -33.998 0.485 1.00 0.00 C ATOM 1991 CE LYS B 24 9.194 -35.410 -0.049 1.00 0.00 C ATOM 1992 NZ LYS B 24 8.241 -35.457 -1.200 1.00 0.00 N ATOM 0 H LYS B 24 11.326 -32.160 2.809 1.00 0.00 H new ATOM 0 HA LYS B 24 13.539 -34.049 2.385 1.00 0.00 H new ATOM 0 HB2 LYS B 24 11.801 -34.190 0.217 1.00 0.00 H new ATOM 0 HB3 LYS B 24 11.916 -35.310 1.559 1.00 0.00 H new ATOM 0 HG2 LYS B 24 9.944 -34.660 2.443 1.00 0.00 H new ATOM 0 HG3 LYS B 24 10.244 -32.960 2.144 1.00 0.00 H new ATOM 0 HD2 LYS B 24 8.377 -33.602 0.764 1.00 0.00 H new ATOM 0 HD3 LYS B 24 9.745 -33.354 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS B 24 10.165 -35.793 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.836 -36.063 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.155 -36.436 -1.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 7.308 -35.114 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 8.595 -34.853 -1.969 1.00 0.00 H new ATOM 2006 N ILE B 25 14.558 -33.030 0.307 1.00 0.00 N ATOM 2007 CA ILE B 25 15.216 -32.235 -0.752 1.00 0.00 C ATOM 2008 C ILE B 25 14.178 -31.895 -1.810 1.00 0.00 C ATOM 2009 O ILE B 25 13.252 -32.676 -2.068 1.00 0.00 O ATOM 2010 CB ILE B 25 16.485 -32.838 -1.278 1.00 0.00 C ATOM 2011 CG1 ILE B 25 16.551 -32.993 -2.784 1.00 0.00 C ATOM 2012 CG2 ILE B 25 16.831 -34.151 -0.586 1.00 0.00 C ATOM 2013 CD1 ILE B 25 17.268 -31.881 -3.513 1.00 0.00 C ATOM 0 H ILE B 25 14.998 -33.921 0.537 1.00 0.00 H new ATOM 0 HA ILE B 25 15.583 -31.303 -0.322 1.00 0.00 H new ATOM 0 HB ILE B 25 17.244 -32.097 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE B 25 17.046 -33.936 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE B 25 15.535 -33.064 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE B 25 17.757 -34.548 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE B 25 16.958 -33.977 0.482 1.00 0.00 H new ATOM 0 HG23 ILE B 25 16.026 -34.869 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE B 25 17.261 -32.084 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE B 25 16.763 -30.935 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE B 25 18.298 -31.821 -3.162 1.00 0.00 H new ATOM 2025 N GLY B 26 14.183 -30.639 -2.247 1.00 0.00 N ATOM 2026 CA GLY B 26 13.244 -30.144 -3.223 1.00 0.00 C ATOM 2027 C GLY B 26 12.128 -29.324 -2.578 1.00 0.00 C ATOM 2028 O GLY B 26 11.483 -28.542 -3.270 1.00 0.00 O ATOM 0 H GLY B 26 14.849 -29.937 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY B 26 13.770 -29.529 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY B 26 12.810 -30.983 -3.767 1.00 0.00 H new ATOM 2032 N ASP B 27 11.875 -29.536 -1.304 1.00 0.00 N ATOM 2033 CA ASP B 27 10.867 -28.792 -0.557 1.00 0.00 C ATOM 2034 C ASP B 27 11.324 -27.336 -0.372 1.00 0.00 C ATOM 2035 O ASP B 27 12.504 -27.088 -0.159 1.00 0.00 O ATOM 2036 CB ASP B 27 10.717 -29.413 0.839 1.00 0.00 C ATOM 2037 CG ASP B 27 9.562 -30.352 1.008 1.00 0.00 C ATOM 2038 OD1 ASP B 27 8.940 -30.787 0.017 1.00 0.00 O ATOM 2039 OD2 ASP B 27 9.250 -30.684 2.190 1.00 0.00 O ATOM 0 H ASP B 27 12.365 -30.236 -0.746 1.00 0.00 H new ATOM 0 HA ASP B 27 9.925 -28.826 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.636 -29.948 1.080 1.00 0.00 H new ATOM 0 HB3 ASP B 27 10.617 -28.608 1.567 1.00 0.00 H new ATOM 2044 N SER B 28 10.385 -26.394 -0.444 1.00 0.00 N ATOM 2045 CA SER B 28 10.786 -24.991 -0.154 1.00 0.00 C ATOM 2046 C SER B 28 10.901 -24.833 1.345 1.00 0.00 C ATOM 2047 O SER B 28 10.392 -25.675 2.117 1.00 0.00 O ATOM 2048 CB SER B 28 9.790 -24.002 -0.762 1.00 0.00 C ATOM 2049 OG SER B 28 8.739 -23.730 0.144 1.00 0.00 O ATOM 0 H SER B 28 9.404 -26.543 -0.682 1.00 0.00 H new ATOM 0 HA SER B 28 11.751 -24.772 -0.610 1.00 0.00 H new ATOM 0 HB2 SER B 28 10.302 -23.075 -1.021 1.00 0.00 H new ATOM 0 HB3 SER B 28 9.383 -24.411 -1.687 1.00 0.00 H new ATOM 0 HG SER B 28 8.113 -23.095 -0.262 1.00 0.00 H new ATOM 2055 N LEU B 29 11.523 -23.752 1.805 1.00 0.00 N ATOM 2056 CA LEU B 29 11.605 -23.506 3.249 1.00 0.00 C ATOM 2057 C LEU B 29 10.253 -23.143 3.828 1.00 0.00 C ATOM 2058 O LEU B 29 9.970 -23.435 4.991 1.00 0.00 O ATOM 2059 CB LEU B 29 12.678 -22.450 3.523 1.00 0.00 C ATOM 2060 CG LEU B 29 14.104 -23.100 3.601 1.00 0.00 C ATOM 2061 CD1 LEU B 29 15.157 -22.039 3.449 1.00 0.00 C ATOM 2062 CD2 LEU B 29 14.214 -23.837 4.928 1.00 0.00 C ATOM 0 H LEU B 29 11.969 -23.046 1.220 1.00 0.00 H new ATOM 0 HA LEU B 29 11.902 -24.423 3.758 1.00 0.00 H new ATOM 0 HB2 LEU B 29 12.661 -21.697 2.735 1.00 0.00 H new ATOM 0 HB3 LEU B 29 12.457 -21.937 4.459 1.00 0.00 H new ATOM 0 HG LEU B 29 14.256 -23.814 2.792 1.00 0.00 H new ATOM 0 HD11 LEU B 29 16.145 -22.496 3.504 1.00 0.00 H new ATOM 0 HD12 LEU B 29 15.039 -21.545 2.485 1.00 0.00 H new ATOM 0 HD13 LEU B 29 15.052 -21.305 4.248 1.00 0.00 H new ATOM 0 HD21 LEU B 29 15.198 -24.299 5.007 1.00 0.00 H new ATOM 0 HD22 LEU B 29 14.077 -23.132 5.748 1.00 0.00 H new ATOM 0 HD23 LEU B 29 13.446 -24.609 4.980 1.00 0.00 H new ATOM 2074 N LEU B 30 9.356 -22.624 2.999 1.00 0.00 N ATOM 2075 CA LEU B 30 7.978 -22.346 3.467 1.00 0.00 C ATOM 2076 C LEU B 30 7.242 -23.668 3.666 1.00 0.00 C ATOM 2077 O LEU B 30 6.578 -23.873 4.691 1.00 0.00 O ATOM 2078 CB LEU B 30 7.252 -21.457 2.468 1.00 0.00 C ATOM 2079 CG LEU B 30 5.733 -21.313 2.679 1.00 0.00 C ATOM 2080 CD1 LEU B 30 5.443 -20.711 4.057 1.00 0.00 C ATOM 2081 CD2 LEU B 30 5.107 -20.468 1.590 1.00 0.00 C ATOM 0 H LEU B 30 9.537 -22.388 2.023 1.00 0.00 H new ATOM 0 HA LEU B 30 8.011 -21.815 4.418 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.700 -20.464 2.501 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.425 -21.851 1.467 1.00 0.00 H new ATOM 0 HG LEU B 30 5.289 -22.307 2.629 1.00 0.00 H new ATOM 0 HD11 LEU B 30 4.366 -20.615 4.193 1.00 0.00 H new ATOM 0 HD12 LEU B 30 5.850 -21.362 4.831 1.00 0.00 H new ATOM 0 HD13 LEU B 30 5.907 -19.727 4.129 1.00 0.00 H new ATOM 0 HD21 LEU B 30 4.035 -20.384 1.766 1.00 0.00 H new ATOM 0 HD22 LEU B 30 5.555 -19.474 1.598 1.00 0.00 H new ATOM 0 HD23 LEU B 30 5.280 -20.936 0.621 1.00 0.00 H new ATOM 2093 N ASP B 31 7.429 -24.582 2.716 1.00 0.00 N ATOM 2094 CA ASP B 31 6.896 -25.938 2.842 1.00 0.00 C ATOM 2095 C ASP B 31 7.340 -26.560 4.166 1.00 0.00 C ATOM 2096 O ASP B 31 6.525 -27.074 4.933 1.00 0.00 O ATOM 2097 CB ASP B 31 7.345 -26.832 1.701 1.00 0.00 C ATOM 2098 CG ASP B 31 6.865 -26.414 0.331 1.00 0.00 C ATOM 2099 OD1 ASP B 31 5.805 -25.776 0.227 1.00 0.00 O ATOM 2100 OD2 ASP B 31 7.564 -26.735 -0.666 1.00 0.00 O ATOM 0 H ASP B 31 7.944 -24.410 1.853 1.00 0.00 H new ATOM 0 HA ASP B 31 5.809 -25.859 2.810 1.00 0.00 H new ATOM 0 HB2 ASP B 31 8.434 -26.864 1.693 1.00 0.00 H new ATOM 0 HB3 ASP B 31 6.997 -27.846 1.897 1.00 0.00 H new ATOM 2105 N VAL B 32 8.632 -26.420 4.476 1.00 0.00 N ATOM 2106 CA VAL B 32 9.166 -26.917 5.729 1.00 0.00 C ATOM 2107 C VAL B 32 8.437 -26.322 6.923 1.00 0.00 C ATOM 2108 O VAL B 32 8.140 -27.027 7.906 1.00 0.00 O ATOM 2109 CB VAL B 32 10.677 -26.649 5.869 1.00 0.00 C ATOM 2110 CG1 VAL B 32 11.198 -27.201 7.190 1.00 0.00 C ATOM 2111 CG2 VAL B 32 11.439 -27.266 4.701 1.00 0.00 C ATOM 0 H VAL B 32 9.319 -25.967 3.873 1.00 0.00 H new ATOM 0 HA VAL B 32 9.008 -27.995 5.715 1.00 0.00 H new ATOM 0 HB VAL B 32 10.836 -25.571 5.857 1.00 0.00 H new ATOM 0 HG11 VAL B 32 12.267 -27.002 7.271 1.00 0.00 H new ATOM 0 HG12 VAL B 32 10.676 -26.720 8.017 1.00 0.00 H new ATOM 0 HG13 VAL B 32 11.025 -28.276 7.229 1.00 0.00 H new ATOM 0 HG21 VAL B 32 12.505 -27.067 4.816 1.00 0.00 H new ATOM 0 HG22 VAL B 32 11.271 -28.343 4.685 1.00 0.00 H new ATOM 0 HG23 VAL B 32 11.087 -26.830 3.766 1.00 0.00 H new ATOM 2121 N VAL B 33 8.213 -25.006 6.894 1.00 0.00 N ATOM 2122 CA VAL B 33 7.549 -24.363 8.025 1.00 0.00 C ATOM 2123 C VAL B 33 6.092 -24.790 8.100 1.00 0.00 C ATOM 2124 O VAL B 33 5.589 -25.106 9.192 1.00 0.00 O ATOM 2125 CB VAL B 33 7.678 -22.832 7.971 1.00 0.00 C ATOM 2126 CG1 VAL B 33 6.767 -22.159 8.974 1.00 0.00 C ATOM 2127 CG2 VAL B 33 9.145 -22.445 8.271 1.00 0.00 C ATOM 0 H VAL B 33 8.472 -24.385 6.128 1.00 0.00 H new ATOM 0 HA VAL B 33 8.052 -24.692 8.935 1.00 0.00 H new ATOM 0 HB VAL B 33 7.385 -22.497 6.976 1.00 0.00 H new ATOM 0 HG11 VAL B 33 6.886 -21.078 8.906 1.00 0.00 H new ATOM 0 HG12 VAL B 33 5.732 -22.424 8.760 1.00 0.00 H new ATOM 0 HG13 VAL B 33 7.026 -22.490 9.980 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.250 -21.361 8.236 1.00 0.00 H new ATOM 0 HG22 VAL B 33 9.421 -22.804 9.263 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.800 -22.897 7.526 1.00 0.00 H new ATOM 2137 N VAL B 34 5.417 -24.820 6.963 1.00 0.00 N ATOM 2138 CA VAL B 34 3.971 -25.102 6.946 1.00 0.00 C ATOM 2139 C VAL B 34 3.651 -26.523 7.318 1.00 0.00 C ATOM 2140 O VAL B 34 2.863 -26.770 8.259 1.00 0.00 O ATOM 2141 CB VAL B 34 3.371 -24.676 5.604 1.00 0.00 C ATOM 2142 CG1 VAL B 34 2.031 -25.315 5.324 1.00 0.00 C ATOM 2143 CG2 VAL B 34 3.252 -23.142 5.563 1.00 0.00 C ATOM 0 H VAL B 34 5.830 -24.656 6.045 1.00 0.00 H new ATOM 0 HA VAL B 34 3.497 -24.503 7.724 1.00 0.00 H new ATOM 0 HB VAL B 34 4.045 -25.024 4.821 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.659 -24.972 4.358 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.141 -26.399 5.306 1.00 0.00 H new ATOM 0 HG13 VAL B 34 1.324 -25.035 6.105 1.00 0.00 H new ATOM 0 HG21 VAL B 34 2.825 -22.836 4.608 1.00 0.00 H new ATOM 0 HG22 VAL B 34 2.606 -22.805 6.374 1.00 0.00 H new ATOM 0 HG23 VAL B 34 4.240 -22.697 5.678 1.00 0.00 H new ATOM 2153 N GLN B 35 4.311 -27.509 6.713 1.00 0.00 N ATOM 2154 CA GLN B 35 4.033 -28.903 6.996 1.00 0.00 C ATOM 2155 C GLN B 35 4.300 -29.298 8.432 1.00 0.00 C ATOM 2156 O GLN B 35 3.526 -30.056 9.033 1.00 0.00 O ATOM 2157 CB GLN B 35 4.800 -29.821 6.045 1.00 0.00 C ATOM 2158 CG GLN B 35 4.011 -30.100 4.755 1.00 0.00 C ATOM 2159 CD GLN B 35 4.902 -29.963 3.539 1.00 0.00 C ATOM 2160 OE1 GLN B 35 5.967 -30.588 3.488 1.00 0.00 O ATOM 2161 NE2 GLN B 35 4.500 -29.141 2.586 1.00 0.00 N ATOM 0 H GLN B 35 5.045 -27.360 6.021 1.00 0.00 H new ATOM 0 HA GLN B 35 2.962 -29.026 6.834 1.00 0.00 H new ATOM 0 HB2 GLN B 35 5.757 -29.364 5.793 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.019 -30.763 6.548 1.00 0.00 H new ATOM 0 HG2 GLN B 35 3.590 -31.105 4.791 1.00 0.00 H new ATOM 0 HG3 GLN B 35 3.174 -29.406 4.678 1.00 0.00 H new ATOM 0 HE21 GLN B 35 3.611 -28.649 2.678 1.00 0.00 H new ATOM 0 HE22 GLN B 35 5.078 -28.998 1.758 1.00 0.00 H new ATOM 2170 N ASN B 36 5.382 -28.794 9.012 1.00 0.00 N ATOM 2171 CA ASN B 36 5.783 -29.151 10.358 1.00 0.00 C ATOM 2172 C ASN B 36 5.186 -28.264 11.416 1.00 0.00 C ATOM 2173 O ASN B 36 5.613 -28.311 12.581 1.00 0.00 O ATOM 2174 CB ASN B 36 7.318 -29.158 10.464 1.00 0.00 C ATOM 2175 CG ASN B 36 7.954 -29.943 9.341 1.00 0.00 C ATOM 2176 OD1 ASN B 36 7.641 -31.122 9.140 1.00 0.00 O ATOM 2177 ND2 ASN B 36 8.841 -29.317 8.595 1.00 0.00 N ATOM 0 H ASN B 36 6.004 -28.125 8.558 1.00 0.00 H new ATOM 0 HA ASN B 36 5.393 -30.151 10.546 1.00 0.00 H new ATOM 0 HB2 ASN B 36 7.688 -28.133 10.446 1.00 0.00 H new ATOM 0 HB3 ASN B 36 7.614 -29.587 11.421 1.00 0.00 H new ATOM 0 HD21 ASN B 36 9.294 -29.806 7.823 1.00 0.00 H new ATOM 0 HD22 ASN B 36 9.075 -28.344 8.790 1.00 0.00 H new ATOM 2184 N ASN B 37 4.246 -27.393 11.053 1.00 0.00 N ATOM 2185 CA ASN B 37 3.583 -26.501 11.957 1.00 0.00 C ATOM 2186 C ASN B 37 4.538 -25.736 12.858 1.00 0.00 C ATOM 2187 O ASN B 37 4.270 -25.589 14.056 1.00 0.00 O ATOM 2188 CB ASN B 37 2.581 -27.269 12.854 1.00 0.00 C ATOM 2189 CG ASN B 37 1.264 -27.517 12.145 1.00 0.00 C ATOM 2190 OD1 ASN B 37 0.641 -26.594 11.627 1.00 0.00 O ATOM 2191 ND2 ASN B 37 0.853 -28.779 12.119 1.00 0.00 N ATOM 0 H ASN B 37 3.927 -27.298 10.089 1.00 0.00 H new ATOM 0 HA ASN B 37 3.063 -25.782 11.324 1.00 0.00 H new ATOM 0 HB2 ASN B 37 3.018 -28.222 13.153 1.00 0.00 H new ATOM 0 HB3 ASN B 37 2.401 -26.701 13.767 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -0.021 -29.021 11.652 1.00 0.00 H new ATOM 0 HD22 ASN B 37 1.411 -29.506 12.566 1.00 0.00 H new ATOM 2198 N LEU B 38 5.611 -25.202 12.285 1.00 0.00 N ATOM 2199 CA LEU B 38 6.562 -24.413 13.074 1.00 0.00 C ATOM 2200 C LEU B 38 5.907 -23.149 13.589 1.00 0.00 C ATOM 2201 O LEU B 38 5.149 -22.487 12.870 1.00 0.00 O ATOM 2202 CB LEU B 38 7.803 -24.122 12.222 1.00 0.00 C ATOM 2203 CG LEU B 38 9.000 -25.036 12.453 1.00 0.00 C ATOM 2204 CD1 LEU B 38 8.579 -26.499 12.529 1.00 0.00 C ATOM 2205 CD2 LEU B 38 10.076 -24.838 11.401 1.00 0.00 C ATOM 0 H LEU B 38 5.845 -25.295 11.297 1.00 0.00 H new ATOM 0 HA LEU B 38 6.878 -24.979 13.950 1.00 0.00 H new ATOM 0 HB2 LEU B 38 7.521 -24.184 11.171 1.00 0.00 H new ATOM 0 HB3 LEU B 38 8.114 -23.094 12.408 1.00 0.00 H new ATOM 0 HG LEU B 38 9.428 -24.758 13.416 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.458 -27.122 12.694 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.878 -26.634 13.353 1.00 0.00 H new ATOM 0 HD13 LEU B 38 8.099 -26.789 11.594 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.911 -25.509 11.604 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.666 -25.057 10.415 1.00 0.00 H new ATOM 0 HD23 LEU B 38 10.425 -23.806 11.428 1.00 0.00 H new ATOM 2217 N ASP B 39 6.212 -22.771 14.816 1.00 0.00 N ATOM 2218 CA ASP B 39 5.585 -21.615 15.477 1.00 0.00 C ATOM 2219 C ASP B 39 6.274 -20.321 15.138 1.00 0.00 C ATOM 2220 O ASP B 39 6.970 -19.696 15.953 1.00 0.00 O ATOM 2221 CB ASP B 39 5.571 -21.892 16.982 1.00 0.00 C ATOM 2222 CG ASP B 39 5.324 -20.707 17.863 1.00 0.00 C ATOM 2223 OD1 ASP B 39 4.361 -19.945 17.613 1.00 0.00 O ATOM 2224 OD2 ASP B 39 6.125 -20.488 18.814 1.00 0.00 O ATOM 0 H ASP B 39 6.902 -23.251 15.394 1.00 0.00 H new ATOM 0 HA ASP B 39 4.564 -21.491 15.116 1.00 0.00 H new ATOM 0 HB2 ASP B 39 4.804 -22.639 17.187 1.00 0.00 H new ATOM 0 HB3 ASP B 39 6.528 -22.333 17.259 1.00 0.00 H new ATOM 2229 N ILE B 40 6.187 -19.907 13.853 1.00 0.00 N ATOM 2230 CA ILE B 40 6.835 -18.649 13.451 1.00 0.00 C ATOM 2231 C ILE B 40 5.748 -17.661 13.041 1.00 0.00 C ATOM 2232 O ILE B 40 5.099 -17.815 12.013 1.00 0.00 O ATOM 2233 CB ILE B 40 7.890 -18.823 12.372 1.00 0.00 C ATOM 2234 CG1 ILE B 40 8.970 -19.829 12.793 1.00 0.00 C ATOM 2235 CG2 ILE B 40 8.554 -17.481 12.048 1.00 0.00 C ATOM 2236 CD1 ILE B 40 9.665 -20.510 11.618 1.00 0.00 C ATOM 0 H ILE B 40 5.696 -20.404 13.110 1.00 0.00 H new ATOM 0 HA ILE B 40 7.390 -18.260 14.305 1.00 0.00 H new ATOM 0 HB ILE B 40 7.383 -19.207 11.487 1.00 0.00 H new ATOM 0 HG12 ILE B 40 9.717 -19.315 13.397 1.00 0.00 H new ATOM 0 HG13 ILE B 40 8.517 -20.591 13.427 1.00 0.00 H new ATOM 0 HG21 ILE B 40 9.307 -17.625 11.273 1.00 0.00 H new ATOM 0 HG22 ILE B 40 7.800 -16.778 11.695 1.00 0.00 H new ATOM 0 HG23 ILE B 40 9.028 -17.084 12.945 1.00 0.00 H new ATOM 0 HD11 ILE B 40 10.415 -21.207 11.993 1.00 0.00 H new ATOM 0 HD12 ILE B 40 8.929 -21.053 11.025 1.00 0.00 H new ATOM 0 HD13 ILE B 40 10.148 -19.757 10.995 1.00 0.00 H new ATOM 2248 N ASP B 41 5.506 -16.694 13.925 1.00 0.00 N ATOM 2249 CA ASP B 41 4.405 -15.753 13.720 1.00 0.00 C ATOM 2250 C ASP B 41 4.438 -15.156 12.318 1.00 0.00 C ATOM 2251 O ASP B 41 5.466 -14.678 11.832 1.00 0.00 O ATOM 2252 CB ASP B 41 4.432 -14.649 14.763 1.00 0.00 C ATOM 2253 CG ASP B 41 4.268 -15.164 16.183 1.00 0.00 C ATOM 2254 OD1 ASP B 41 3.686 -16.248 16.367 1.00 0.00 O ATOM 2255 OD2 ASP B 41 4.774 -14.482 17.099 1.00 0.00 O ATOM 0 H ASP B 41 6.047 -16.542 14.776 1.00 0.00 H new ATOM 0 HA ASP B 41 3.475 -16.311 13.829 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.375 -14.108 14.686 1.00 0.00 H new ATOM 0 HB3 ASP B 41 3.637 -13.935 14.548 1.00 0.00 H new ATOM 2260 N GLY B 42 3.314 -15.256 11.629 1.00 0.00 N ATOM 2261 CA GLY B 42 3.047 -14.702 10.357 1.00 0.00 C ATOM 2262 C GLY B 42 3.730 -15.322 9.175 1.00 0.00 C ATOM 2263 O GLY B 42 3.552 -14.848 8.037 1.00 0.00 O ATOM 0 H GLY B 42 2.514 -15.773 11.994 1.00 0.00 H new ATOM 0 HA2 GLY B 42 1.971 -14.751 10.188 1.00 0.00 H new ATOM 0 HA3 GLY B 42 3.317 -13.646 10.386 1.00 0.00 H new ATOM 2267 N PHE B 43 4.539 -16.356 9.377 1.00 0.00 N ATOM 2268 CA PHE B 43 5.385 -16.857 8.278 1.00 0.00 C ATOM 2269 C PHE B 43 4.576 -17.443 7.160 1.00 0.00 C ATOM 2270 O PHE B 43 3.729 -18.340 7.382 1.00 0.00 O ATOM 2271 CB PHE B 43 6.404 -17.842 8.861 1.00 0.00 C ATOM 2272 CG PHE B 43 7.557 -18.152 7.957 1.00 0.00 C ATOM 2273 CD1 PHE B 43 7.434 -19.053 6.927 1.00 0.00 C ATOM 2274 CD2 PHE B 43 8.801 -17.568 8.186 1.00 0.00 C ATOM 2275 CE1 PHE B 43 8.507 -19.375 6.116 1.00 0.00 C ATOM 2276 CE2 PHE B 43 9.883 -17.882 7.390 1.00 0.00 C ATOM 2277 CZ PHE B 43 9.740 -18.777 6.347 1.00 0.00 C ATOM 0 H PHE B 43 4.633 -16.857 10.260 1.00 0.00 H new ATOM 0 HA PHE B 43 5.922 -16.025 7.822 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.791 -17.434 9.795 1.00 0.00 H new ATOM 0 HB3 PHE B 43 5.891 -18.772 9.107 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.477 -19.521 6.747 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.919 -16.862 8.995 1.00 0.00 H new ATOM 0 HE1 PHE B 43 8.388 -20.085 5.311 1.00 0.00 H new ATOM 0 HE2 PHE B 43 10.844 -17.427 7.582 1.00 0.00 H new ATOM 0 HZ PHE B 43 10.583 -19.011 5.714 1.00 0.00 H new ATOM 2287 N GLY B 44 4.783 -16.973 5.928 1.00 0.00 N ATOM 2288 CA GLY B 44 4.115 -17.565 4.766 1.00 0.00 C ATOM 2289 C GLY B 44 2.771 -16.916 4.469 1.00 0.00 C ATOM 2290 O GLY B 44 1.911 -17.529 3.808 1.00 0.00 O ATOM 0 H GLY B 44 5.402 -16.192 5.710 1.00 0.00 H new ATOM 0 HA2 GLY B 44 4.761 -17.470 3.893 1.00 0.00 H new ATOM 0 HA3 GLY B 44 3.969 -18.631 4.940 1.00 0.00 H new ATOM 2294 N ALA B 45 2.614 -15.659 4.823 1.00 0.00 N ATOM 2295 CA ALA B 45 1.365 -14.930 4.646 1.00 0.00 C ATOM 2296 C ALA B 45 0.740 -15.057 3.289 1.00 0.00 C ATOM 2297 O ALA B 45 -0.483 -15.333 3.193 1.00 0.00 O ATOM 2298 CB ALA B 45 1.590 -13.461 5.026 1.00 0.00 C ATOM 0 H ALA B 45 3.356 -15.103 5.248 1.00 0.00 H new ATOM 0 HA ALA B 45 0.636 -15.393 5.311 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.661 -12.905 4.897 1.00 0.00 H new ATOM 0 HB2 ALA B 45 1.909 -13.399 6.067 1.00 0.00 H new ATOM 0 HB3 ALA B 45 2.360 -13.033 4.385 1.00 0.00 H new ATOM 2304 N CYS B 46 1.457 -14.813 2.202 1.00 0.00 N ATOM 2305 CA CYS B 46 0.946 -14.927 0.847 1.00 0.00 C ATOM 2306 C CYS B 46 1.003 -16.339 0.297 1.00 0.00 C ATOM 2307 O CYS B 46 0.716 -16.570 -0.890 1.00 0.00 O ATOM 2308 CB CYS B 46 1.615 -13.946 -0.106 1.00 0.00 C ATOM 2309 SG CYS B 46 3.243 -14.374 -0.762 1.00 0.00 S ATOM 0 H CYS B 46 2.434 -14.523 2.240 1.00 0.00 H new ATOM 0 HA CYS B 46 -0.109 -14.662 0.918 1.00 0.00 H new ATOM 0 HB2 CYS B 46 0.944 -13.792 -0.952 1.00 0.00 H new ATOM 0 HB3 CYS B 46 1.704 -12.989 0.408 1.00 0.00 H new ATOM 2314 N GLU B 47 1.389 -17.310 1.118 1.00 0.00 N ATOM 2315 CA GLU B 47 1.482 -18.697 0.682 1.00 0.00 C ATOM 2316 C GLU B 47 2.366 -18.827 -0.547 1.00 0.00 C ATOM 2317 O GLU B 47 2.030 -19.500 -1.520 1.00 0.00 O ATOM 2318 CB GLU B 47 0.074 -19.250 0.399 1.00 0.00 C ATOM 2319 CG GLU B 47 -0.772 -19.396 1.659 1.00 0.00 C ATOM 2320 CD GLU B 47 -2.246 -19.573 1.353 1.00 0.00 C ATOM 2321 OE1 GLU B 47 -2.909 -18.561 1.033 1.00 0.00 O ATOM 2322 OE2 GLU B 47 -2.743 -20.716 1.430 1.00 0.00 O ATOM 0 H GLU B 47 1.644 -17.160 2.094 1.00 0.00 H new ATOM 0 HA GLU B 47 1.939 -19.281 1.481 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -0.437 -18.588 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU B 47 0.162 -20.221 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -0.418 -20.253 2.233 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -0.638 -18.515 2.286 1.00 0.00 H new ATOM 2329 N GLY B 48 3.515 -18.144 -0.533 1.00 0.00 N ATOM 2330 CA GLY B 48 4.513 -18.198 -1.529 1.00 0.00 C ATOM 2331 C GLY B 48 4.216 -17.676 -2.900 1.00 0.00 C ATOM 2332 O GLY B 48 4.636 -18.303 -3.901 1.00 0.00 O ATOM 0 H GLY B 48 3.758 -17.512 0.230 1.00 0.00 H new ATOM 0 HA2 GLY B 48 5.379 -17.654 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY B 48 4.813 -19.241 -1.635 1.00 0.00 H new ATOM 2336 N THR B 49 3.650 -16.484 -3.041 1.00 0.00 N ATOM 2337 CA THR B 49 3.382 -15.895 -4.349 1.00 0.00 C ATOM 2338 C THR B 49 4.126 -14.588 -4.541 1.00 0.00 C ATOM 2339 O THR B 49 3.772 -13.762 -5.391 1.00 0.00 O ATOM 2340 CB THR B 49 1.866 -15.636 -4.551 1.00 0.00 C ATOM 2341 OG1 THR B 49 1.426 -14.710 -3.554 1.00 0.00 O ATOM 2342 CG2 THR B 49 1.073 -16.921 -4.458 1.00 0.00 C ATOM 0 H THR B 49 3.364 -15.899 -2.256 1.00 0.00 H new ATOM 0 HA THR B 49 3.732 -16.617 -5.087 1.00 0.00 H new ATOM 0 HB THR B 49 1.703 -15.223 -5.546 1.00 0.00 H new ATOM 0 HG1 THR B 49 2.113 -14.625 -2.860 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.014 -16.707 -4.604 1.00 0.00 H new ATOM 0 HG22 THR B 49 1.412 -17.614 -5.228 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.220 -17.369 -3.475 1.00 0.00 H new ATOM 2350 N LEU B 50 5.125 -14.332 -3.687 1.00 0.00 N ATOM 2351 CA LEU B 50 5.903 -13.114 -3.762 1.00 0.00 C ATOM 2352 C LEU B 50 5.065 -11.861 -3.614 1.00 0.00 C ATOM 2353 O LEU B 50 5.299 -10.847 -4.280 1.00 0.00 O ATOM 2354 CB LEU B 50 6.740 -13.082 -5.043 1.00 0.00 C ATOM 2355 CG LEU B 50 7.831 -14.170 -5.130 1.00 0.00 C ATOM 2356 CD1 LEU B 50 8.652 -14.003 -6.392 1.00 0.00 C ATOM 2357 CD2 LEU B 50 8.739 -14.081 -3.896 1.00 0.00 C ATOM 0 H LEU B 50 5.406 -14.963 -2.936 1.00 0.00 H new ATOM 0 HA LEU B 50 6.579 -13.122 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU B 50 6.073 -13.187 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.214 -12.104 -5.126 1.00 0.00 H new ATOM 0 HG LEU B 50 7.353 -15.149 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU B 50 9.416 -14.780 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU B 50 8.002 -14.085 -7.263 1.00 0.00 H new ATOM 0 HD13 LEU B 50 9.130 -13.024 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.510 -14.849 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU B 50 9.208 -13.098 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU B 50 8.145 -14.233 -2.995 1.00 0.00 H new ATOM 2369 N ALA B 51 4.171 -11.866 -2.628 1.00 0.00 N ATOM 2370 CA ALA B 51 3.349 -10.687 -2.334 1.00 0.00 C ATOM 2371 C ALA B 51 3.483 -10.314 -0.865 1.00 0.00 C ATOM 2372 O ALA B 51 2.640 -9.620 -0.304 1.00 0.00 O ATOM 2373 CB ALA B 51 1.886 -10.985 -2.665 1.00 0.00 C ATOM 0 H ALA B 51 3.995 -12.666 -2.021 1.00 0.00 H new ATOM 0 HA ALA B 51 3.691 -9.850 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.277 -10.108 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.796 -11.234 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.541 -11.826 -2.063 1.00 0.00 H new ATOM 2379 N CYS B 52 4.526 -10.858 -0.215 1.00 0.00 N ATOM 2380 CA CYS B 52 4.704 -10.561 1.223 1.00 0.00 C ATOM 2381 C CYS B 52 6.173 -10.689 1.601 1.00 0.00 C ATOM 2382 O CYS B 52 6.979 -11.018 0.734 1.00 0.00 O ATOM 2383 CB CYS B 52 3.818 -11.473 2.051 1.00 0.00 C ATOM 2384 SG CYS B 52 4.472 -13.107 2.461 1.00 0.00 S ATOM 0 H CYS B 52 5.226 -11.473 -0.630 1.00 0.00 H new ATOM 0 HA CYS B 52 4.402 -9.534 1.430 1.00 0.00 H new ATOM 0 HB2 CYS B 52 3.582 -10.960 2.983 1.00 0.00 H new ATOM 0 HB3 CYS B 52 2.879 -11.609 1.515 1.00 0.00 H new ATOM 2389 N SER B 53 6.535 -10.273 2.827 1.00 0.00 N ATOM 2390 CA SER B 53 7.967 -10.428 3.195 1.00 0.00 C ATOM 2391 C SER B 53 8.115 -11.327 4.408 1.00 0.00 C ATOM 2392 O SER B 53 9.204 -11.401 4.995 1.00 0.00 O ATOM 2393 CB SER B 53 8.584 -9.058 3.449 1.00 0.00 C ATOM 2394 OG SER B 53 7.936 -8.363 4.492 1.00 0.00 O ATOM 0 H SER B 53 5.923 -9.861 3.531 1.00 0.00 H new ATOM 0 HA SER B 53 8.497 -10.901 2.368 1.00 0.00 H new ATOM 0 HB2 SER B 53 9.639 -9.177 3.696 1.00 0.00 H new ATOM 0 HB3 SER B 53 8.535 -8.465 2.536 1.00 0.00 H new ATOM 0 HG SER B 53 7.768 -7.438 4.214 1.00 0.00 H new ATOM 2400 N THR B 54 7.057 -12.026 4.799 1.00 0.00 N ATOM 2401 CA THR B 54 7.022 -12.775 6.027 1.00 0.00 C ATOM 2402 C THR B 54 7.841 -14.049 6.019 1.00 0.00 C ATOM 2403 O THR B 54 8.035 -14.644 7.087 1.00 0.00 O ATOM 2404 CB THR B 54 5.565 -13.161 6.434 1.00 0.00 C ATOM 2405 OG1 THR B 54 5.070 -14.129 5.489 1.00 0.00 O ATOM 2406 CG2 THR B 54 4.677 -11.921 6.367 1.00 0.00 C ATOM 0 H THR B 54 6.194 -12.083 4.259 1.00 0.00 H new ATOM 0 HA THR B 54 7.466 -12.090 6.749 1.00 0.00 H new ATOM 0 HB THR B 54 5.557 -13.569 7.445 1.00 0.00 H new ATOM 0 HG1 THR B 54 4.930 -13.697 4.621 1.00 0.00 H new ATOM 0 HG21 THR B 54 3.659 -12.187 6.651 1.00 0.00 H new ATOM 0 HG22 THR B 54 5.058 -11.163 7.051 1.00 0.00 H new ATOM 0 HG23 THR B 54 4.679 -11.526 5.351 1.00 0.00 H new ATOM 2414 N CYS B 55 8.260 -14.537 4.860 1.00 0.00 N ATOM 2415 CA CYS B 55 9.032 -15.752 4.766 1.00 0.00 C ATOM 2416 C CYS B 55 10.528 -15.450 4.633 1.00 0.00 C ATOM 2417 O CYS B 55 11.333 -16.338 4.383 1.00 0.00 O ATOM 2418 CB CYS B 55 8.593 -16.560 3.510 1.00 0.00 C ATOM 2419 SG CYS B 55 9.006 -15.709 1.989 1.00 0.00 S ATOM 0 H CYS B 55 8.070 -14.095 3.961 1.00 0.00 H new ATOM 0 HA CYS B 55 8.857 -16.324 5.677 1.00 0.00 H new ATOM 0 HB2 CYS B 55 9.075 -17.538 3.521 1.00 0.00 H new ATOM 0 HB3 CYS B 55 7.518 -16.734 3.548 1.00 0.00 H new ATOM 2424 N HIS B 56 10.885 -14.215 4.940 1.00 0.00 N ATOM 2425 CA HIS B 56 12.288 -13.791 4.936 1.00 0.00 C ATOM 2426 C HIS B 56 13.100 -14.635 5.926 1.00 0.00 C ATOM 2427 O HIS B 56 12.744 -14.762 7.089 1.00 0.00 O ATOM 2428 CB HIS B 56 12.340 -12.304 5.278 1.00 0.00 C ATOM 2429 CG HIS B 56 13.674 -11.703 5.553 1.00 0.00 C ATOM 2430 ND1 HIS B 56 13.812 -10.597 6.369 1.00 0.00 N ATOM 2431 CD2 HIS B 56 14.918 -12.004 5.131 1.00 0.00 C ATOM 2432 CE1 HIS B 56 15.092 -10.264 6.458 1.00 0.00 C ATOM 2433 NE2 HIS B 56 15.798 -11.094 5.716 1.00 0.00 N ATOM 0 H HIS B 56 10.225 -13.481 5.197 1.00 0.00 H new ATOM 0 HA HIS B 56 12.732 -13.943 3.952 1.00 0.00 H new ATOM 0 HB2 HIS B 56 11.888 -11.754 4.452 1.00 0.00 H new ATOM 0 HB3 HIS B 56 11.711 -12.139 6.153 1.00 0.00 H new ATOM 0 HD1 HIS B 56 13.045 -10.110 6.833 1.00 0.00 H new ATOM 0 HD2 HIS B 56 15.186 -12.807 4.460 1.00 0.00 H new ATOM 0 HE1 HIS B 56 15.491 -9.448 7.042 1.00 0.00 H new ATOM 2441 N LEU B 57 14.223 -15.167 5.451 1.00 0.00 N ATOM 2442 CA LEU B 57 15.149 -15.915 6.306 1.00 0.00 C ATOM 2443 C LEU B 57 16.576 -15.402 6.053 1.00 0.00 C ATOM 2444 O LEU B 57 16.881 -14.940 4.958 1.00 0.00 O ATOM 2445 CB LEU B 57 15.096 -17.408 6.045 1.00 0.00 C ATOM 2446 CG LEU B 57 13.803 -18.137 6.447 1.00 0.00 C ATOM 2447 CD1 LEU B 57 13.697 -19.478 5.754 1.00 0.00 C ATOM 2448 CD2 LEU B 57 13.716 -18.267 7.959 1.00 0.00 C ATOM 0 H LEU B 57 14.517 -15.095 4.477 1.00 0.00 H new ATOM 0 HA LEU B 57 14.854 -15.757 7.343 1.00 0.00 H new ATOM 0 HB2 LEU B 57 15.262 -17.573 4.980 1.00 0.00 H new ATOM 0 HB3 LEU B 57 15.927 -17.875 6.573 1.00 0.00 H new ATOM 0 HG LEU B 57 12.951 -17.542 6.118 1.00 0.00 H new ATOM 0 HD11 LEU B 57 12.774 -19.972 6.056 1.00 0.00 H new ATOM 0 HD12 LEU B 57 13.693 -19.330 4.674 1.00 0.00 H new ATOM 0 HD13 LEU B 57 14.548 -20.099 6.032 1.00 0.00 H new ATOM 0 HD21 LEU B 57 12.795 -18.785 8.227 1.00 0.00 H new ATOM 0 HD22 LEU B 57 14.572 -18.834 8.325 1.00 0.00 H new ATOM 0 HD23 LEU B 57 13.719 -17.275 8.410 1.00 0.00 H new ATOM 2460 N ILE B 58 17.408 -15.517 7.055 1.00 0.00 N ATOM 2461 CA ILE B 58 18.806 -15.116 7.003 1.00 0.00 C ATOM 2462 C ILE B 58 19.668 -16.399 7.048 1.00 0.00 C ATOM 2463 O ILE B 58 19.476 -17.226 7.948 1.00 0.00 O ATOM 2464 CB ILE B 58 19.152 -14.258 8.252 1.00 0.00 C ATOM 2465 CG1 ILE B 58 18.359 -12.948 8.206 1.00 0.00 C ATOM 2466 CG2 ILE B 58 20.657 -13.993 8.263 1.00 0.00 C ATOM 2467 CD1 ILE B 58 18.238 -12.285 9.575 1.00 0.00 C ATOM 0 H ILE B 58 17.133 -15.902 7.959 1.00 0.00 H new ATOM 0 HA ILE B 58 18.994 -14.539 6.098 1.00 0.00 H new ATOM 0 HB ILE B 58 18.881 -14.785 9.167 1.00 0.00 H new ATOM 0 HG12 ILE B 58 18.844 -12.259 7.515 1.00 0.00 H new ATOM 0 HG13 ILE B 58 17.362 -13.145 7.813 1.00 0.00 H new ATOM 0 HG21 ILE B 58 20.914 -13.391 9.135 1.00 0.00 H new ATOM 0 HG22 ILE B 58 21.193 -14.941 8.305 1.00 0.00 H new ATOM 0 HG23 ILE B 58 20.939 -13.457 7.357 1.00 0.00 H new ATOM 0 HD11 ILE B 58 17.667 -11.361 9.483 1.00 0.00 H new ATOM 0 HD12 ILE B 58 17.728 -12.960 10.262 1.00 0.00 H new ATOM 0 HD13 ILE B 58 19.233 -12.060 9.959 1.00 0.00 H new ATOM 2479 N PHE B 59 20.450 -16.600 6.002 1.00 0.00 N ATOM 2480 CA PHE B 59 21.169 -17.852 5.797 1.00 0.00 C ATOM 2481 C PHE B 59 22.627 -17.760 6.233 1.00 0.00 C ATOM 2482 O PHE B 59 23.185 -16.667 6.317 1.00 0.00 O ATOM 2483 CB PHE B 59 21.168 -18.121 4.239 1.00 0.00 C ATOM 2484 CG PHE B 59 19.775 -18.528 3.796 1.00 0.00 C ATOM 2485 CD1 PHE B 59 18.810 -17.576 3.547 1.00 0.00 C ATOM 2486 CD2 PHE B 59 19.437 -19.871 3.728 1.00 0.00 C ATOM 2487 CE1 PHE B 59 17.521 -17.945 3.218 1.00 0.00 C ATOM 2488 CE2 PHE B 59 18.144 -20.247 3.393 1.00 0.00 C ATOM 2489 CZ PHE B 59 17.196 -19.287 3.125 1.00 0.00 C ATOM 0 H PHE B 59 20.606 -15.905 5.272 1.00 0.00 H new ATOM 0 HA PHE B 59 20.685 -18.635 6.381 1.00 0.00 H new ATOM 0 HB2 PHE B 59 21.484 -17.225 3.704 1.00 0.00 H new ATOM 0 HB3 PHE B 59 21.883 -18.907 3.994 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.065 -16.529 3.610 1.00 0.00 H new ATOM 0 HD2 PHE B 59 20.181 -20.626 3.936 1.00 0.00 H new ATOM 0 HE1 PHE B 59 16.770 -17.191 3.034 1.00 0.00 H new ATOM 0 HE2 PHE B 59 17.882 -21.294 3.343 1.00 0.00 H new ATOM 0 HZ PHE B 59 16.196 -19.581 2.841 1.00 0.00 H new ATOM 2499 N GLU B 60 23.238 -18.926 6.479 1.00 0.00 N ATOM 2500 CA GLU B 60 24.703 -18.963 6.672 1.00 0.00 C ATOM 2501 C GLU B 60 25.378 -18.538 5.366 1.00 0.00 C ATOM 2502 O GLU B 60 24.909 -18.916 4.285 1.00 0.00 O ATOM 2503 CB GLU B 60 25.157 -20.365 7.038 1.00 0.00 C ATOM 2504 CG GLU B 60 24.622 -20.889 8.372 1.00 0.00 C ATOM 2505 CD GLU B 60 25.033 -22.340 8.592 1.00 0.00 C ATOM 2506 OE1 GLU B 60 26.268 -22.620 8.563 1.00 0.00 O ATOM 2507 OE2 GLU B 60 24.152 -23.180 8.796 1.00 0.00 O ATOM 0 H GLU B 60 22.767 -19.828 6.548 1.00 0.00 H new ATOM 0 HA GLU B 60 24.977 -18.287 7.482 1.00 0.00 H new ATOM 0 HB2 GLU B 60 24.850 -21.049 6.247 1.00 0.00 H new ATOM 0 HB3 GLU B 60 26.246 -20.382 7.069 1.00 0.00 H new ATOM 0 HG2 GLU B 60 25.000 -20.272 9.187 1.00 0.00 H new ATOM 0 HG3 GLU B 60 23.535 -20.808 8.389 1.00 0.00 H new ATOM 2514 N GLN B 61 26.517 -17.859 5.457 1.00 0.00 N ATOM 2515 CA GLN B 61 27.168 -17.354 4.239 1.00 0.00 C ATOM 2516 C GLN B 61 27.498 -18.444 3.237 1.00 0.00 C ATOM 2517 O GLN B 61 27.187 -18.285 2.033 1.00 0.00 O ATOM 2518 CB GLN B 61 28.407 -16.533 4.573 1.00 0.00 C ATOM 2519 CG GLN B 61 29.226 -16.129 3.352 1.00 0.00 C ATOM 2520 CD GLN B 61 28.512 -15.142 2.452 1.00 0.00 C ATOM 2521 OE1 GLN B 61 27.697 -14.328 2.892 1.00 0.00 O ATOM 2522 NE2 GLN B 61 28.824 -15.190 1.159 1.00 0.00 N ATOM 0 H GLN B 61 27.001 -17.647 6.329 1.00 0.00 H new ATOM 0 HA GLN B 61 26.437 -16.704 3.758 1.00 0.00 H new ATOM 0 HB2 GLN B 61 28.102 -15.634 5.108 1.00 0.00 H new ATOM 0 HB3 GLN B 61 29.040 -17.107 5.250 1.00 0.00 H new ATOM 0 HG2 GLN B 61 30.168 -15.692 3.683 1.00 0.00 H new ATOM 0 HG3 GLN B 61 29.473 -17.022 2.777 1.00 0.00 H new ATOM 0 HE21 GLN B 61 29.502 -15.874 0.823 1.00 0.00 H new ATOM 0 HE22 GLN B 61 28.385 -14.543 0.504 1.00 0.00 H new ATOM 2531 N HIS B 62 28.014 -19.573 3.666 1.00 0.00 N ATOM 2532 CA HIS B 62 28.440 -20.620 2.719 1.00 0.00 C ATOM 2533 C HIS B 62 27.259 -21.243 2.007 1.00 0.00 C ATOM 2534 O HIS B 62 27.368 -21.769 0.887 1.00 0.00 O ATOM 2535 CB HIS B 62 29.307 -21.639 3.454 1.00 0.00 C ATOM 2536 CG HIS B 62 28.526 -22.557 4.341 1.00 0.00 C ATOM 2537 ND1 HIS B 62 28.046 -23.764 3.893 1.00 0.00 N ATOM 2538 CD2 HIS B 62 28.130 -22.448 5.626 1.00 0.00 C ATOM 2539 CE1 HIS B 62 27.399 -24.375 4.879 1.00 0.00 C ATOM 2540 NE2 HIS B 62 27.424 -23.572 5.942 1.00 0.00 N ATOM 0 H HIS B 62 28.155 -19.804 4.650 1.00 0.00 H new ATOM 0 HA HIS B 62 29.046 -20.174 1.930 1.00 0.00 H new ATOM 0 HB2 HIS B 62 29.855 -22.233 2.723 1.00 0.00 H new ATOM 0 HB3 HIS B 62 30.047 -21.109 4.054 1.00 0.00 H new ATOM 0 HD2 HIS B 62 28.335 -21.619 6.287 1.00 0.00 H new ATOM 0 HE1 HIS B 62 26.935 -25.349 4.828 1.00 0.00 H new ATOM 0 HE2 HIS B 62 26.987 -23.766 6.843 1.00 0.00 H new ATOM 2548 N ILE B 63 26.099 -21.255 2.661 1.00 0.00 N ATOM 2549 CA ILE B 63 24.851 -21.683 2.046 1.00 0.00 C ATOM 2550 C ILE B 63 24.345 -20.601 1.098 1.00 0.00 C ATOM 2551 O ILE B 63 24.108 -20.861 -0.089 1.00 0.00 O ATOM 2552 CB ILE B 63 23.779 -21.977 3.111 1.00 0.00 C ATOM 2553 CG1 ILE B 63 24.147 -23.168 3.980 1.00 0.00 C ATOM 2554 CG2 ILE B 63 22.420 -22.207 2.449 1.00 0.00 C ATOM 2555 CD1 ILE B 63 24.375 -24.465 3.222 1.00 0.00 C ATOM 0 H ILE B 63 26.001 -20.967 3.635 1.00 0.00 H new ATOM 0 HA ILE B 63 25.044 -22.600 1.490 1.00 0.00 H new ATOM 0 HB ILE B 63 23.721 -21.104 3.761 1.00 0.00 H new ATOM 0 HG12 ILE B 63 25.051 -22.926 4.539 1.00 0.00 H new ATOM 0 HG13 ILE B 63 23.354 -23.325 4.711 1.00 0.00 H new ATOM 0 HG21 ILE B 63 21.673 -22.414 3.215 1.00 0.00 H new ATOM 0 HG22 ILE B 63 22.131 -21.316 1.891 1.00 0.00 H new ATOM 0 HG23 ILE B 63 22.486 -23.056 1.768 1.00 0.00 H new ATOM 0 HD11 ILE B 63 24.632 -25.257 3.925 1.00 0.00 H new ATOM 0 HD12 ILE B 63 23.466 -24.737 2.685 1.00 0.00 H new ATOM 0 HD13 ILE B 63 25.190 -24.332 2.511 1.00 0.00 H new ATOM 2567 N PHE B 64 24.252 -19.362 1.583 1.00 0.00 N ATOM 2568 CA PHE B 64 23.768 -18.242 0.800 1.00 0.00 C ATOM 2569 C PHE B 64 24.428 -18.114 -0.559 1.00 0.00 C ATOM 2570 O PHE B 64 23.780 -17.722 -1.543 1.00 0.00 O ATOM 2571 CB PHE B 64 23.909 -16.925 1.569 1.00 0.00 C ATOM 2572 CG PHE B 64 23.431 -15.701 0.868 1.00 0.00 C ATOM 2573 CD1 PHE B 64 22.079 -15.390 0.802 1.00 0.00 C ATOM 2574 CD2 PHE B 64 24.336 -14.828 0.260 1.00 0.00 C ATOM 2575 CE1 PHE B 64 21.638 -14.250 0.158 1.00 0.00 C ATOM 2576 CE2 PHE B 64 23.895 -13.710 -0.424 1.00 0.00 C ATOM 2577 CZ PHE B 64 22.550 -13.412 -0.459 1.00 0.00 C ATOM 0 H PHE B 64 24.514 -19.114 2.537 1.00 0.00 H new ATOM 0 HA PHE B 64 22.714 -18.452 0.621 1.00 0.00 H new ATOM 0 HB2 PHE B 64 23.364 -17.017 2.509 1.00 0.00 H new ATOM 0 HB3 PHE B 64 24.960 -16.787 1.822 1.00 0.00 H new ATOM 0 HD1 PHE B 64 21.360 -16.051 1.262 1.00 0.00 H new ATOM 0 HD2 PHE B 64 25.395 -15.029 0.325 1.00 0.00 H new ATOM 0 HE1 PHE B 64 20.584 -14.014 0.136 1.00 0.00 H new ATOM 0 HE2 PHE B 64 24.604 -13.071 -0.930 1.00 0.00 H new ATOM 0 HZ PHE B 64 22.207 -12.524 -0.969 1.00 0.00 H new ATOM 2587 N GLU B 65 25.751 -18.250 -0.615 1.00 0.00 N ATOM 2588 CA GLU B 65 26.487 -17.999 -1.839 1.00 0.00 C ATOM 2589 C GLU B 65 26.244 -19.022 -2.922 1.00 0.00 C ATOM 2590 O GLU B 65 26.611 -18.772 -4.077 1.00 0.00 O ATOM 2591 CB GLU B 65 27.970 -17.791 -1.579 1.00 0.00 C ATOM 2592 CG GLU B 65 28.704 -18.952 -0.951 1.00 0.00 C ATOM 2593 CD GLU B 65 30.096 -18.573 -0.471 1.00 0.00 C ATOM 2594 OE1 GLU B 65 30.384 -17.366 -0.365 1.00 0.00 O ATOM 2595 OE2 GLU B 65 30.894 -19.500 -0.193 1.00 0.00 O ATOM 0 H GLU B 65 26.330 -18.533 0.176 1.00 0.00 H new ATOM 0 HA GLU B 65 26.085 -17.064 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU B 65 28.454 -17.551 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU B 65 28.086 -16.921 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU B 65 28.124 -19.331 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU B 65 28.782 -19.763 -1.676 1.00 0.00 H new ATOM 2602 N LYS B 66 25.603 -20.148 -2.619 1.00 0.00 N ATOM 2603 CA LYS B 66 25.351 -21.170 -3.642 1.00 0.00 C ATOM 2604 C LYS B 66 23.865 -21.341 -3.914 1.00 0.00 C ATOM 2605 O LYS B 66 23.433 -22.341 -4.504 1.00 0.00 O ATOM 2606 CB LYS B 66 25.975 -22.503 -3.232 1.00 0.00 C ATOM 2607 CG LYS B 66 27.444 -22.406 -2.850 1.00 0.00 C ATOM 2608 CD LYS B 66 28.312 -22.044 -4.044 1.00 0.00 C ATOM 2609 CE LYS B 66 29.422 -23.078 -4.238 1.00 0.00 C ATOM 2610 NZ LYS B 66 28.848 -24.465 -4.278 1.00 0.00 N ATOM 0 H LYS B 66 25.252 -20.378 -1.689 1.00 0.00 H new ATOM 0 HA LYS B 66 25.818 -20.831 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS B 66 25.417 -22.910 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS B 66 25.870 -23.210 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS B 66 27.568 -21.656 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS B 66 27.776 -23.357 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS B 66 27.698 -21.989 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS B 66 28.750 -21.057 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS B 66 29.959 -22.874 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS B 66 30.145 -23.001 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 29.372 -25.038 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 28.928 -24.901 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 27.846 -24.418 -4.554 1.00 0.00 H new ATOM 2624 N LEU B 67 23.068 -20.397 -3.424 1.00 0.00 N ATOM 2625 CA LEU B 67 21.622 -20.450 -3.678 1.00 0.00 C ATOM 2626 C LEU B 67 21.340 -20.062 -5.124 1.00 0.00 C ATOM 2627 O LEU B 67 22.171 -19.415 -5.778 1.00 0.00 O ATOM 2628 CB LEU B 67 20.893 -19.500 -2.713 1.00 0.00 C ATOM 2629 CG LEU B 67 21.004 -19.891 -1.220 1.00 0.00 C ATOM 2630 CD1 LEU B 67 20.283 -18.870 -0.357 1.00 0.00 C ATOM 2631 CD2 LEU B 67 20.403 -21.278 -0.999 1.00 0.00 C ATOM 0 H LEU B 67 23.381 -19.605 -2.863 1.00 0.00 H new ATOM 0 HA LEU B 67 21.259 -21.464 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU B 67 21.293 -18.494 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU B 67 19.839 -19.462 -2.988 1.00 0.00 H new ATOM 0 HG LEU B 67 22.057 -19.910 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU B 67 20.368 -19.155 0.692 1.00 0.00 H new ATOM 0 HD12 LEU B 67 20.732 -17.888 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU B 67 19.231 -18.833 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU B 67 20.485 -21.546 0.054 1.00 0.00 H new ATOM 0 HD22 LEU B 67 19.353 -21.270 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU B 67 20.942 -22.008 -1.602 1.00 0.00 H new ATOM 2643 N GLU B 68 20.197 -20.482 -5.636 1.00 0.00 N ATOM 2644 CA GLU B 68 19.799 -20.135 -7.007 1.00 0.00 C ATOM 2645 C GLU B 68 19.743 -18.623 -7.172 1.00 0.00 C ATOM 2646 O GLU B 68 19.315 -17.901 -6.258 1.00 0.00 O ATOM 2647 CB GLU B 68 18.368 -20.709 -7.218 1.00 0.00 C ATOM 2648 CG GLU B 68 17.465 -20.219 -6.075 1.00 0.00 C ATOM 2649 CD GLU B 68 17.199 -21.293 -5.047 1.00 0.00 C ATOM 2650 OE1 GLU B 68 18.085 -21.660 -4.249 1.00 0.00 O ATOM 2651 OE2 GLU B 68 16.021 -21.752 -5.046 1.00 0.00 O ATOM 0 H GLU B 68 19.524 -21.061 -5.134 1.00 0.00 H new ATOM 0 HA GLU B 68 20.513 -20.539 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU B 68 17.969 -20.385 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU B 68 18.397 -21.798 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU B 68 17.932 -19.363 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU B 68 16.517 -19.873 -6.488 1.00 0.00 H new ATOM 2658 N ALA B 69 20.165 -18.130 -8.323 1.00 0.00 N ATOM 2659 CA ALA B 69 20.188 -16.704 -8.608 1.00 0.00 C ATOM 2660 C ALA B 69 18.850 -16.060 -8.242 1.00 0.00 C ATOM 2661 O ALA B 69 17.801 -16.542 -8.684 1.00 0.00 O ATOM 2662 CB ALA B 69 20.454 -16.474 -10.101 1.00 0.00 C ATOM 0 H ALA B 69 20.503 -18.710 -9.091 1.00 0.00 H new ATOM 0 HA ALA B 69 20.981 -16.251 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA B 69 20.470 -15.404 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA B 69 21.416 -16.910 -10.371 1.00 0.00 H new ATOM 0 HB3 ALA B 69 19.665 -16.945 -10.688 1.00 0.00 H new ATOM 2668 N ILE B 70 18.901 -14.908 -7.582 1.00 0.00 N ATOM 2669 CA ILE B 70 17.659 -14.249 -7.170 1.00 0.00 C ATOM 2670 C ILE B 70 16.960 -13.630 -8.381 1.00 0.00 C ATOM 2671 O ILE B 70 17.614 -13.007 -9.219 1.00 0.00 O ATOM 2672 CB ILE B 70 17.893 -13.192 -6.094 1.00 0.00 C ATOM 2673 CG1 ILE B 70 16.560 -12.598 -5.614 1.00 0.00 C ATOM 2674 CG2 ILE B 70 18.814 -12.084 -6.571 1.00 0.00 C ATOM 2675 CD1 ILE B 70 16.652 -12.003 -4.211 1.00 0.00 C ATOM 0 H ILE B 70 19.759 -14.420 -7.325 1.00 0.00 H new ATOM 0 HA ILE B 70 17.016 -15.014 -6.735 1.00 0.00 H new ATOM 0 HB ILE B 70 18.382 -13.693 -5.259 1.00 0.00 H new ATOM 0 HG12 ILE B 70 16.239 -11.825 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE B 70 15.796 -13.375 -5.625 1.00 0.00 H new ATOM 0 HG21 ILE B 70 18.951 -11.355 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE B 70 19.780 -12.507 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE B 70 18.373 -11.593 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE B 70 15.682 -11.598 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE B 70 16.945 -12.780 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE B 70 17.395 -11.206 -4.202 1.00 0.00 H new ATOM 2687 N THR B 71 15.648 -13.775 -8.439 1.00 0.00 N ATOM 2688 CA THR B 71 14.877 -13.161 -9.532 1.00 0.00 C ATOM 2689 C THR B 71 14.487 -11.734 -9.144 1.00 0.00 C ATOM 2690 O THR B 71 14.388 -11.395 -7.967 1.00 0.00 O ATOM 2691 CB THR B 71 13.595 -13.938 -9.839 1.00 0.00 C ATOM 2692 OG1 THR B 71 12.768 -13.946 -8.655 1.00 0.00 O ATOM 2693 CG2 THR B 71 13.866 -15.353 -10.279 1.00 0.00 C ATOM 0 H THR B 71 15.093 -14.299 -7.762 1.00 0.00 H new ATOM 0 HA THR B 71 15.511 -13.170 -10.419 1.00 0.00 H new ATOM 0 HB THR B 71 13.089 -13.441 -10.667 1.00 0.00 H new ATOM 0 HG1 THR B 71 11.941 -14.439 -8.837 1.00 0.00 H new ATOM 0 HG21 THR B 71 12.922 -15.858 -10.483 1.00 0.00 H new ATOM 0 HG22 THR B 71 14.475 -15.343 -11.183 1.00 0.00 H new ATOM 0 HG23 THR B 71 14.398 -15.884 -9.489 1.00 0.00 H new ATOM 2701 N ASP B 72 14.131 -10.943 -10.162 1.00 0.00 N ATOM 2702 CA ASP B 72 13.715 -9.560 -9.910 1.00 0.00 C ATOM 2703 C ASP B 72 12.456 -9.537 -9.052 1.00 0.00 C ATOM 2704 O ASP B 72 12.263 -8.619 -8.238 1.00 0.00 O ATOM 2705 CB ASP B 72 13.461 -8.851 -11.246 1.00 0.00 C ATOM 2706 CG ASP B 72 14.733 -8.353 -11.905 1.00 0.00 C ATOM 2707 OD1 ASP B 72 15.815 -8.387 -11.281 1.00 0.00 O ATOM 2708 OD2 ASP B 72 14.640 -7.885 -13.066 1.00 0.00 O ATOM 0 H ASP B 72 14.122 -11.226 -11.142 1.00 0.00 H new ATOM 0 HA ASP B 72 14.507 -9.039 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP B 72 12.952 -9.536 -11.924 1.00 0.00 H new ATOM 0 HB3 ASP B 72 12.790 -8.008 -11.082 1.00 0.00 H new ATOM 2713 N GLU B 73 11.556 -10.492 -9.275 1.00 0.00 N ATOM 2714 CA GLU B 73 10.312 -10.528 -8.521 1.00 0.00 C ATOM 2715 C GLU B 73 10.585 -10.715 -7.034 1.00 0.00 C ATOM 2716 O GLU B 73 10.058 -9.973 -6.193 1.00 0.00 O ATOM 2717 CB GLU B 73 9.349 -11.602 -9.030 1.00 0.00 C ATOM 2718 CG GLU B 73 7.968 -11.487 -8.417 1.00 0.00 C ATOM 2719 CD GLU B 73 6.901 -12.347 -9.029 1.00 0.00 C ATOM 2720 OE1 GLU B 73 7.207 -13.363 -9.695 1.00 0.00 O ATOM 2721 OE2 GLU B 73 5.700 -12.020 -8.821 1.00 0.00 O ATOM 0 H GLU B 73 11.664 -11.239 -9.961 1.00 0.00 H new ATOM 0 HA GLU B 73 9.825 -9.565 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU B 73 9.268 -11.527 -10.114 1.00 0.00 H new ATOM 0 HB3 GLU B 73 9.760 -12.587 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU B 73 8.041 -11.733 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU B 73 7.649 -10.447 -8.482 1.00 0.00 H new ATOM 2728 N GLU B 74 11.481 -11.663 -6.715 1.00 0.00 N ATOM 2729 CA GLU B 74 11.826 -11.869 -5.305 1.00 0.00 C ATOM 2730 C GLU B 74 12.473 -10.623 -4.723 1.00 0.00 C ATOM 2731 O GLU B 74 12.074 -10.140 -3.667 1.00 0.00 O ATOM 2732 CB GLU B 74 12.741 -13.079 -5.119 1.00 0.00 C ATOM 2733 CG GLU B 74 13.103 -13.295 -3.653 1.00 0.00 C ATOM 2734 CD GLU B 74 14.049 -14.431 -3.403 1.00 0.00 C ATOM 2735 OE1 GLU B 74 14.248 -15.309 -4.261 1.00 0.00 O ATOM 2736 OE2 GLU B 74 14.640 -14.475 -2.291 1.00 0.00 O ATOM 0 H GLU B 74 11.958 -12.271 -7.380 1.00 0.00 H new ATOM 0 HA GLU B 74 10.899 -12.067 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU B 74 12.248 -13.970 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU B 74 13.652 -12.939 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU B 74 13.546 -12.379 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU B 74 12.187 -13.472 -3.089 1.00 0.00 H new ATOM 2743 N ASN B 75 13.420 -10.039 -5.447 1.00 0.00 N ATOM 2744 CA ASN B 75 14.123 -8.854 -5.013 1.00 0.00 C ATOM 2745 C ASN B 75 13.225 -7.689 -4.674 1.00 0.00 C ATOM 2746 O ASN B 75 13.464 -6.988 -3.674 1.00 0.00 O ATOM 2747 CB ASN B 75 15.174 -8.453 -6.058 1.00 0.00 C ATOM 2748 CG ASN B 75 16.312 -7.660 -5.464 1.00 0.00 C ATOM 2749 OD1 ASN B 75 16.917 -8.056 -4.466 1.00 0.00 O ATOM 2750 ND2 ASN B 75 16.617 -6.518 -6.079 1.00 0.00 N ATOM 0 H ASN B 75 13.719 -10.383 -6.359 1.00 0.00 H new ATOM 0 HA ASN B 75 14.615 -9.117 -4.076 1.00 0.00 H new ATOM 0 HB2 ASN B 75 15.571 -9.351 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN B 75 14.696 -7.864 -6.841 1.00 0.00 H new ATOM 0 HD21 ASN B 75 17.376 -5.936 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN B 75 16.091 -6.226 -6.903 1.00 0.00 H new ATOM 2757 N ASP B 76 12.157 -7.466 -5.437 1.00 0.00 N ATOM 2758 CA ASP B 76 11.243 -6.362 -5.192 1.00 0.00 C ATOM 2759 C ASP B 76 10.510 -6.538 -3.860 1.00 0.00 C ATOM 2760 O ASP B 76 10.219 -5.572 -3.166 1.00 0.00 O ATOM 2761 CB ASP B 76 10.183 -6.266 -6.298 1.00 0.00 C ATOM 2762 CG ASP B 76 10.690 -5.733 -7.606 1.00 0.00 C ATOM 2763 OD1 ASP B 76 11.798 -5.152 -7.656 1.00 0.00 O ATOM 2764 OD2 ASP B 76 9.976 -5.908 -8.627 1.00 0.00 O ATOM 0 H ASP B 76 11.905 -8.045 -6.238 1.00 0.00 H new ATOM 0 HA ASP B 76 11.847 -5.455 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP B 76 9.760 -7.257 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP B 76 9.371 -5.627 -5.950 1.00 0.00 H new ATOM 2769 N MET B 77 10.151 -7.787 -3.565 1.00 0.00 N ATOM 2770 CA MET B 77 9.458 -8.098 -2.311 1.00 0.00 C ATOM 2771 C MET B 77 10.461 -8.082 -1.157 1.00 0.00 C ATOM 2772 O MET B 77 10.217 -7.539 -0.103 1.00 0.00 O ATOM 2773 CB MET B 77 8.810 -9.469 -2.408 1.00 0.00 C ATOM 2774 CG MET B 77 7.469 -9.667 -1.831 1.00 0.00 C ATOM 2775 SD MET B 77 6.356 -8.274 -1.822 1.00 0.00 S ATOM 2776 CE MET B 77 6.755 -7.484 -0.288 1.00 0.00 C ATOM 0 H MET B 77 10.325 -8.592 -4.167 1.00 0.00 H new ATOM 0 HA MET B 77 8.686 -7.350 -2.130 1.00 0.00 H new ATOM 0 HB2 MET B 77 8.756 -9.734 -3.464 1.00 0.00 H new ATOM 0 HB3 MET B 77 9.481 -10.185 -1.934 1.00 0.00 H new ATOM 0 HG2 MET B 77 6.986 -10.478 -2.376 1.00 0.00 H new ATOM 0 HG3 MET B 77 7.593 -10.004 -0.802 1.00 0.00 H new ATOM 0 HE1 MET B 77 5.908 -7.564 0.394 1.00 0.00 H new ATOM 0 HE2 MET B 77 7.625 -7.969 0.155 1.00 0.00 H new ATOM 0 HE3 MET B 77 6.978 -6.432 -0.468 1.00 0.00 H new ATOM 2786 N LEU B 78 11.649 -8.632 -1.447 1.00 0.00 N ATOM 2787 CA LEU B 78 12.693 -8.717 -0.416 1.00 0.00 C ATOM 2788 C LEU B 78 13.142 -7.346 0.036 1.00 0.00 C ATOM 2789 O LEU B 78 13.341 -7.101 1.236 1.00 0.00 O ATOM 2790 CB LEU B 78 13.860 -9.554 -0.922 1.00 0.00 C ATOM 2791 CG LEU B 78 14.994 -9.828 0.077 1.00 0.00 C ATOM 2792 CD1 LEU B 78 14.477 -10.739 1.187 1.00 0.00 C ATOM 2793 CD2 LEU B 78 16.175 -10.464 -0.645 1.00 0.00 C ATOM 0 H LEU B 78 11.906 -9.014 -2.357 1.00 0.00 H new ATOM 0 HA LEU B 78 12.272 -9.211 0.460 1.00 0.00 H new ATOM 0 HB2 LEU B 78 13.469 -10.512 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.286 -9.054 -1.792 1.00 0.00 H new ATOM 0 HG LEU B 78 15.332 -8.892 0.522 1.00 0.00 H new ATOM 0 HD11 LEU B 78 15.279 -10.936 1.899 1.00 0.00 H new ATOM 0 HD12 LEU B 78 13.648 -10.252 1.700 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.135 -11.680 0.756 1.00 0.00 H new ATOM 0 HD21 LEU B 78 16.977 -10.656 0.068 1.00 0.00 H new ATOM 0 HD22 LEU B 78 15.861 -11.403 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU B 78 16.534 -9.788 -1.421 1.00 0.00 H new ATOM 2805 N ASP B 79 13.158 -6.388 -0.884 1.00 0.00 N ATOM 2806 CA ASP B 79 13.504 -5.008 -0.618 1.00 0.00 C ATOM 2807 C ASP B 79 12.711 -4.398 0.528 1.00 0.00 C ATOM 2808 O ASP B 79 13.192 -3.487 1.203 1.00 0.00 O ATOM 2809 CB ASP B 79 13.298 -4.166 -1.885 1.00 0.00 C ATOM 2810 CG ASP B 79 14.402 -4.300 -2.904 1.00 0.00 C ATOM 2811 OD1 ASP B 79 15.405 -5.003 -2.650 1.00 0.00 O ATOM 2812 OD2 ASP B 79 14.266 -3.692 -3.999 1.00 0.00 O ATOM 0 H ASP B 79 12.923 -6.561 -1.861 1.00 0.00 H new ATOM 0 HA ASP B 79 14.552 -5.003 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP B 79 12.354 -4.453 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP B 79 13.207 -3.118 -1.600 1.00 0.00 H new ATOM 2817 N CYS B 80 11.464 -4.844 0.716 1.00 0.00 N ATOM 2818 CA CYS B 80 10.588 -4.338 1.730 1.00 0.00 C ATOM 2819 C CYS B 80 10.667 -5.066 3.067 1.00 0.00 C ATOM 2820 O CYS B 80 9.979 -4.665 4.015 1.00 0.00 O ATOM 2821 CB CYS B 80 9.151 -4.383 1.158 1.00 0.00 C ATOM 2822 SG CYS B 80 8.137 -5.650 1.993 1.00 0.00 S ATOM 0 H CYS B 80 11.046 -5.580 0.147 1.00 0.00 H new ATOM 0 HA CYS B 80 10.902 -3.321 1.967 1.00 0.00 H new ATOM 0 HB2 CYS B 80 8.682 -3.406 1.273 1.00 0.00 H new ATOM 0 HB3 CYS B 80 9.190 -4.593 0.089 1.00 0.00 H new ATOM 2827 N ALA B 81 11.445 -6.132 3.174 1.00 0.00 N ATOM 2828 CA ALA B 81 11.495 -6.902 4.417 1.00 0.00 C ATOM 2829 C ALA B 81 12.137 -6.112 5.551 1.00 0.00 C ATOM 2830 O ALA B 81 13.040 -5.305 5.330 1.00 0.00 O ATOM 2831 CB ALA B 81 12.284 -8.192 4.210 1.00 0.00 C ATOM 0 H ALA B 81 12.045 -6.484 2.428 1.00 0.00 H new ATOM 0 HA ALA B 81 10.465 -7.129 4.692 1.00 0.00 H new ATOM 0 HB1 ALA B 81 12.313 -8.755 5.143 1.00 0.00 H new ATOM 0 HB2 ALA B 81 11.803 -8.793 3.439 1.00 0.00 H new ATOM 0 HB3 ALA B 81 13.301 -7.951 3.900 1.00 0.00 H new ATOM 2837 N TYR B 82 11.731 -6.419 6.770 1.00 0.00 N ATOM 2838 CA TYR B 82 12.367 -5.888 7.969 1.00 0.00 C ATOM 2839 C TYR B 82 13.647 -6.680 8.252 1.00 0.00 C ATOM 2840 O TYR B 82 13.662 -7.895 8.043 1.00 0.00 O ATOM 2841 CB TYR B 82 11.396 -6.081 9.166 1.00 0.00 C ATOM 2842 CG TYR B 82 12.034 -5.780 10.500 1.00 0.00 C ATOM 2843 CD1 TYR B 82 12.081 -4.476 10.988 1.00 0.00 C ATOM 2844 CD2 TYR B 82 12.622 -6.786 11.263 1.00 0.00 C ATOM 2845 CE1 TYR B 82 12.681 -4.192 12.202 1.00 0.00 C ATOM 2846 CE2 TYR B 82 13.227 -6.508 12.476 1.00 0.00 C ATOM 2847 CZ TYR B 82 13.239 -5.210 12.944 1.00 0.00 C ATOM 2848 OH TYR B 82 13.832 -4.919 14.155 1.00 0.00 O ATOM 0 H TYR B 82 10.949 -7.045 6.960 1.00 0.00 H new ATOM 0 HA TYR B 82 12.604 -4.833 7.830 1.00 0.00 H new ATOM 0 HB2 TYR B 82 10.529 -5.435 9.031 1.00 0.00 H new ATOM 0 HB3 TYR B 82 11.031 -7.108 9.168 1.00 0.00 H new ATOM 0 HD1 TYR B 82 11.643 -3.675 10.411 1.00 0.00 H new ATOM 0 HD2 TYR B 82 12.605 -7.803 10.901 1.00 0.00 H new ATOM 0 HE1 TYR B 82 12.712 -3.176 12.567 1.00 0.00 H new ATOM 0 HE2 TYR B 82 13.685 -7.299 13.051 1.00 0.00 H new ATOM 0 HH TYR B 82 14.177 -5.744 14.557 1.00 0.00 H new ATOM 2858 N GLY B 83 14.664 -6.044 8.796 1.00 0.00 N ATOM 2859 CA GLY B 83 15.869 -6.722 9.240 1.00 0.00 C ATOM 2860 C GLY B 83 16.652 -7.395 8.135 1.00 0.00 C ATOM 2861 O GLY B 83 17.268 -8.462 8.367 1.00 0.00 O ATOM 0 H GLY B 83 14.680 -5.035 8.944 1.00 0.00 H new ATOM 0 HA2 GLY B 83 16.515 -5.999 9.738 1.00 0.00 H new ATOM 0 HA3 GLY B 83 15.597 -7.471 9.983 1.00 0.00 H new ATOM 2865 N LEU B 84 16.719 -6.816 6.963 1.00 0.00 N ATOM 2866 CA LEU B 84 17.464 -7.300 5.834 1.00 0.00 C ATOM 2867 C LEU B 84 18.961 -7.403 6.134 1.00 0.00 C ATOM 2868 O LEU B 84 19.531 -6.562 6.840 1.00 0.00 O ATOM 2869 CB LEU B 84 17.293 -6.356 4.635 1.00 0.00 C ATOM 2870 CG LEU B 84 16.171 -6.617 3.660 1.00 0.00 C ATOM 2871 CD1 LEU B 84 16.175 -5.538 2.557 1.00 0.00 C ATOM 2872 CD2 LEU B 84 16.310 -7.992 2.999 1.00 0.00 C ATOM 0 H LEU B 84 16.227 -5.946 6.762 1.00 0.00 H new ATOM 0 HA LEU B 84 17.073 -8.292 5.608 1.00 0.00 H new ATOM 0 HB2 LEU B 84 17.163 -5.347 5.025 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.227 -6.363 4.073 1.00 0.00 H new ATOM 0 HG LEU B 84 15.236 -6.589 4.219 1.00 0.00 H new ATOM 0 HD11 LEU B 84 15.363 -5.731 1.856 1.00 0.00 H new ATOM 0 HD12 LEU B 84 16.038 -4.555 3.009 1.00 0.00 H new ATOM 0 HD13 LEU B 84 17.127 -5.564 2.026 1.00 0.00 H new ATOM 0 HD21 LEU B 84 15.485 -8.146 2.303 1.00 0.00 H new ATOM 0 HD22 LEU B 84 17.255 -8.042 2.458 1.00 0.00 H new ATOM 0 HD23 LEU B 84 16.289 -8.768 3.765 1.00 0.00 H new ATOM 2884 N THR B 85 19.583 -8.469 5.681 1.00 0.00 N ATOM 2885 CA THR B 85 21.016 -8.665 5.830 1.00 0.00 C ATOM 2886 C THR B 85 21.594 -8.976 4.433 1.00 0.00 C ATOM 2887 O THR B 85 20.832 -9.146 3.490 1.00 0.00 O ATOM 2888 CB THR B 85 21.358 -9.895 6.717 1.00 0.00 C ATOM 2889 OG1 THR B 85 20.939 -11.073 6.015 1.00 0.00 O ATOM 2890 CG2 THR B 85 20.662 -9.826 8.057 1.00 0.00 C ATOM 0 H THR B 85 19.110 -9.231 5.195 1.00 0.00 H new ATOM 0 HA THR B 85 21.426 -7.765 6.288 1.00 0.00 H new ATOM 0 HB THR B 85 22.431 -9.912 6.909 1.00 0.00 H new ATOM 0 HG1 THR B 85 20.059 -10.918 5.612 1.00 0.00 H new ATOM 0 HG21 THR B 85 20.925 -10.702 8.649 1.00 0.00 H new ATOM 0 HG22 THR B 85 20.975 -8.925 8.584 1.00 0.00 H new ATOM 0 HG23 THR B 85 19.583 -9.801 7.906 1.00 0.00 H new ATOM 2898 N ASP B 86 22.902 -9.137 4.375 1.00 0.00 N ATOM 2899 CA ASP B 86 23.575 -9.523 3.143 1.00 0.00 C ATOM 2900 C ASP B 86 23.374 -11.009 2.833 1.00 0.00 C ATOM 2901 O ASP B 86 23.817 -11.487 1.787 1.00 0.00 O ATOM 2902 CB ASP B 86 25.086 -9.257 3.268 1.00 0.00 C ATOM 2903 CG ASP B 86 25.431 -7.788 3.196 1.00 0.00 C ATOM 2904 OD1 ASP B 86 24.531 -6.968 2.906 1.00 0.00 O ATOM 2905 OD2 ASP B 86 26.619 -7.459 3.416 1.00 0.00 O ATOM 0 H ASP B 86 23.526 -9.006 5.171 1.00 0.00 H new ATOM 0 HA ASP B 86 23.143 -8.930 2.336 1.00 0.00 H new ATOM 0 HB2 ASP B 86 25.445 -9.664 4.214 1.00 0.00 H new ATOM 0 HB3 ASP B 86 25.610 -9.788 2.473 1.00 0.00 H new ATOM 2910 N ARG B 87 22.731 -11.732 3.737 1.00 0.00 N ATOM 2911 CA ARG B 87 22.488 -13.168 3.519 1.00 0.00 C ATOM 2912 C ARG B 87 20.997 -13.483 3.558 1.00 0.00 C ATOM 2913 O ARG B 87 20.610 -14.600 3.909 1.00 0.00 O ATOM 2914 CB ARG B 87 23.230 -13.970 4.601 1.00 0.00 C ATOM 2915 CG ARG B 87 24.756 -13.891 4.459 1.00 0.00 C ATOM 2916 CD ARG B 87 25.430 -14.224 5.797 1.00 0.00 C ATOM 2917 NE ARG B 87 25.154 -13.179 6.785 1.00 0.00 N ATOM 2918 CZ ARG B 87 24.496 -13.399 7.916 1.00 0.00 C ATOM 2919 NH1 ARG B 87 24.045 -14.610 8.209 1.00 0.00 N ATOM 2920 NH2 ARG B 87 24.280 -12.403 8.766 1.00 0.00 N ATOM 0 H ARG B 87 22.369 -11.365 4.617 1.00 0.00 H new ATOM 0 HA ARG B 87 22.860 -13.446 2.533 1.00 0.00 H new ATOM 0 HB2 ARG B 87 22.942 -13.598 5.584 1.00 0.00 H new ATOM 0 HB3 ARG B 87 22.919 -15.013 4.551 1.00 0.00 H new ATOM 0 HG2 ARG B 87 25.094 -14.586 3.690 1.00 0.00 H new ATOM 0 HG3 ARG B 87 25.047 -12.892 4.135 1.00 0.00 H new ATOM 0 HD2 ARG B 87 25.068 -15.184 6.164 1.00 0.00 H new ATOM 0 HD3 ARG B 87 26.506 -14.322 5.654 1.00 0.00 H new ATOM 0 HE ARG B 87 25.485 -12.233 6.594 1.00 0.00 H new ATOM 0 HH11 ARG B 87 24.203 -15.383 7.563 1.00 0.00 H new ATOM 0 HH12 ARG B 87 23.540 -14.769 9.081 1.00 0.00 H new ATOM 0 HH21 ARG B 87 24.620 -11.466 8.550 1.00 0.00 H new ATOM 0 HH22 ARG B 87 23.774 -12.575 9.635 1.00 0.00 H new ATOM 2934 N SER B 88 20.167 -12.532 3.148 1.00 0.00 N ATOM 2935 CA SER B 88 18.723 -12.655 3.224 1.00 0.00 C ATOM 2936 C SER B 88 18.090 -13.148 1.931 1.00 0.00 C ATOM 2937 O SER B 88 18.458 -12.680 0.839 1.00 0.00 O ATOM 2938 CB SER B 88 18.116 -11.261 3.539 1.00 0.00 C ATOM 2939 OG SER B 88 18.425 -10.859 4.873 1.00 0.00 O ATOM 0 H SER B 88 20.483 -11.647 2.751 1.00 0.00 H new ATOM 0 HA SER B 88 18.514 -13.388 4.003 1.00 0.00 H new ATOM 0 HB2 SER B 88 18.502 -10.524 2.835 1.00 0.00 H new ATOM 0 HB3 SER B 88 17.035 -11.293 3.406 1.00 0.00 H new ATOM 0 HG SER B 88 17.598 -10.627 5.345 1.00 0.00 H new ATOM 2945 N ARG B 89 17.105 -14.031 2.021 1.00 0.00 N ATOM 2946 CA ARG B 89 16.313 -14.465 0.882 1.00 0.00 C ATOM 2947 C ARG B 89 14.865 -14.692 1.363 1.00 0.00 C ATOM 2948 O ARG B 89 14.628 -14.848 2.567 1.00 0.00 O ATOM 2949 CB ARG B 89 16.786 -15.769 0.242 1.00 0.00 C ATOM 2950 CG ARG B 89 18.103 -15.771 -0.479 1.00 0.00 C ATOM 2951 CD ARG B 89 18.146 -14.810 -1.647 1.00 0.00 C ATOM 2952 NE ARG B 89 17.282 -15.289 -2.747 1.00 0.00 N ATOM 2953 CZ ARG B 89 17.707 -16.166 -3.667 1.00 0.00 C ATOM 2954 NH1 ARG B 89 18.954 -16.600 -3.648 1.00 0.00 N ATOM 2955 NH2 ARG B 89 16.878 -16.541 -4.637 1.00 0.00 N ATOM 0 H ARG B 89 16.831 -14.471 2.900 1.00 0.00 H new ATOM 0 HA ARG B 89 16.407 -13.683 0.129 1.00 0.00 H new ATOM 0 HB2 ARG B 89 16.835 -16.525 1.025 1.00 0.00 H new ATOM 0 HB3 ARG B 89 16.020 -16.090 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG B 89 18.895 -15.513 0.224 1.00 0.00 H new ATOM 0 HG3 ARG B 89 18.311 -16.779 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.819 -13.822 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG B 89 19.171 -14.706 -2.002 1.00 0.00 H new ATOM 0 HE ARG B 89 16.326 -14.939 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG B 89 19.599 -16.268 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG B 89 19.272 -17.267 -4.350 1.00 0.00 H new ATOM 0 HH21 ARG B 89 15.932 -16.162 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG B 89 17.188 -17.208 -5.344 1.00 0.00 H new ATOM 2969 N LEU B 90 13.927 -14.723 0.419 1.00 0.00 N ATOM 2970 CA LEU B 90 12.562 -15.126 0.777 1.00 0.00 C ATOM 2971 C LEU B 90 12.489 -16.646 0.774 1.00 0.00 C ATOM 2972 O LEU B 90 12.715 -17.299 -0.260 1.00 0.00 O ATOM 2973 CB LEU B 90 11.530 -14.499 -0.136 1.00 0.00 C ATOM 2974 CG LEU B 90 11.501 -12.967 -0.184 1.00 0.00 C ATOM 2975 CD1 LEU B 90 10.414 -12.492 -1.145 1.00 0.00 C ATOM 2976 CD2 LEU B 90 11.268 -12.374 1.204 1.00 0.00 C ATOM 0 H LEU B 90 14.072 -14.485 -0.562 1.00 0.00 H new ATOM 0 HA LEU B 90 12.326 -14.761 1.777 1.00 0.00 H new ATOM 0 HB2 LEU B 90 11.699 -14.869 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU B 90 10.545 -14.850 0.171 1.00 0.00 H new ATOM 0 HG LEU B 90 12.472 -12.623 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU B 90 10.402 -11.402 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU B 90 10.618 -12.877 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU B 90 9.444 -12.857 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU B 90 11.253 -11.286 1.137 1.00 0.00 H new ATOM 0 HD22 LEU B 90 10.314 -12.727 1.595 1.00 0.00 H new ATOM 0 HD23 LEU B 90 12.071 -12.685 1.872 1.00 0.00 H new ATOM 2988 N GLY B 91 12.210 -17.233 1.937 1.00 0.00 N ATOM 2989 CA GLY B 91 12.240 -18.666 2.087 1.00 0.00 C ATOM 2990 C GLY B 91 11.359 -19.441 1.162 1.00 0.00 C ATOM 2991 O GLY B 91 11.628 -20.634 0.888 1.00 0.00 O ATOM 0 H GLY B 91 11.961 -16.725 2.786 1.00 0.00 H new ATOM 0 HA2 GLY B 91 13.267 -19.004 1.947 1.00 0.00 H new ATOM 0 HA3 GLY B 91 11.961 -18.910 3.112 1.00 0.00 H new ATOM 2995 N CYS B 92 10.202 -18.890 0.730 1.00 0.00 N ATOM 2996 CA CYS B 92 9.318 -19.648 -0.144 1.00 0.00 C ATOM 2997 C CYS B 92 9.940 -19.897 -1.509 1.00 0.00 C ATOM 2998 O CYS B 92 9.438 -20.766 -2.249 1.00 0.00 O ATOM 2999 CB CYS B 92 7.948 -18.992 -0.300 1.00 0.00 C ATOM 3000 SG CYS B 92 7.962 -17.397 -1.098 1.00 0.00 S ATOM 0 H CYS B 92 9.878 -17.953 0.970 1.00 0.00 H new ATOM 0 HA CYS B 92 9.172 -20.611 0.345 1.00 0.00 H new ATOM 0 HB2 CYS B 92 7.304 -19.661 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS B 92 7.499 -18.883 0.687 1.00 0.00 H new ATOM 3005 N GLN B 93 11.028 -19.229 -1.835 1.00 0.00 N ATOM 3006 CA GLN B 93 11.725 -19.404 -3.086 1.00 0.00 C ATOM 3007 C GLN B 93 12.922 -20.342 -2.966 1.00 0.00 C ATOM 3008 O GLN B 93 13.580 -20.593 -3.974 1.00 0.00 O ATOM 3009 CB GLN B 93 12.198 -18.063 -3.654 1.00 0.00 C ATOM 3010 CG GLN B 93 11.088 -17.033 -3.855 1.00 0.00 C ATOM 3011 CD GLN B 93 10.039 -17.529 -4.845 1.00 0.00 C ATOM 3012 OE1 GLN B 93 10.347 -17.741 -6.018 1.00 0.00 O ATOM 3013 NE2 GLN B 93 8.839 -17.783 -4.356 1.00 0.00 N ATOM 0 H GLN B 93 11.458 -18.536 -1.223 1.00 0.00 H new ATOM 0 HA GLN B 93 11.003 -19.856 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN B 93 12.948 -17.644 -2.984 1.00 0.00 H new ATOM 0 HB3 GLN B 93 12.689 -18.241 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.613 -16.816 -2.898 1.00 0.00 H new ATOM 0 HG3 GLN B 93 11.518 -16.099 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN B 93 8.636 -17.588 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.115 -18.174 -4.959 1.00 0.00 H new ATOM 3022 N ILE B 94 13.285 -20.732 -1.747 1.00 0.00 N ATOM 3023 CA ILE B 94 14.505 -21.532 -1.564 1.00 0.00 C ATOM 3024 C ILE B 94 14.131 -22.978 -1.255 1.00 0.00 C ATOM 3025 O ILE B 94 13.430 -23.220 -0.284 1.00 0.00 O ATOM 3026 CB ILE B 94 15.365 -20.989 -0.412 1.00 0.00 C ATOM 3027 CG1 ILE B 94 15.746 -19.546 -0.584 1.00 0.00 C ATOM 3028 CG2 ILE B 94 16.605 -21.883 -0.218 1.00 0.00 C ATOM 3029 CD1 ILE B 94 16.259 -19.070 -1.887 1.00 0.00 C ATOM 0 H ILE B 94 12.773 -20.518 -0.891 1.00 0.00 H new ATOM 0 HA ILE B 94 15.080 -21.475 -2.488 1.00 0.00 H new ATOM 0 HB ILE B 94 14.755 -21.022 0.491 1.00 0.00 H new ATOM 0 HG12 ILE B 94 14.868 -18.947 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE B 94 16.503 -19.318 0.166 1.00 0.00 H new ATOM 0 HG21 ILE B 94 17.211 -21.493 0.600 1.00 0.00 H new ATOM 0 HG22 ILE B 94 16.288 -22.899 0.018 1.00 0.00 H new ATOM 0 HG23 ILE B 94 17.195 -21.891 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE B 94 16.481 -18.005 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE B 94 17.168 -19.616 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE B 94 15.507 -19.238 -2.658 1.00 0.00 H new ATOM 3041 N SER B 95 14.578 -23.899 -2.106 1.00 0.00 N ATOM 3042 CA SER B 95 14.272 -25.312 -1.911 1.00 0.00 C ATOM 3043 C SER B 95 15.491 -26.082 -1.398 1.00 0.00 C ATOM 3044 O SER B 95 16.628 -25.744 -1.715 1.00 0.00 O ATOM 3045 CB SER B 95 13.832 -25.934 -3.233 1.00 0.00 C ATOM 3046 OG SER B 95 13.511 -27.311 -3.030 1.00 0.00 O ATOM 0 H SER B 95 15.147 -23.695 -2.928 1.00 0.00 H new ATOM 0 HA SER B 95 13.474 -25.376 -1.172 1.00 0.00 H new ATOM 0 HB2 SER B 95 12.966 -25.402 -3.626 1.00 0.00 H new ATOM 0 HB3 SER B 95 14.627 -25.840 -3.973 1.00 0.00 H new ATOM 0 HG SER B 95 12.854 -27.596 -3.699 1.00 0.00 H new ATOM 3052 N LEU B 96 15.228 -27.084 -0.578 1.00 0.00 N ATOM 3053 CA LEU B 96 16.245 -27.831 0.115 1.00 0.00 C ATOM 3054 C LEU B 96 17.185 -28.579 -0.802 1.00 0.00 C ATOM 3055 O LEU B 96 16.785 -29.177 -1.808 1.00 0.00 O ATOM 3056 CB LEU B 96 15.609 -28.784 1.142 1.00 0.00 C ATOM 3057 CG LEU B 96 14.848 -28.111 2.280 1.00 0.00 C ATOM 3058 CD1 LEU B 96 14.384 -29.103 3.322 1.00 0.00 C ATOM 3059 CD2 LEU B 96 15.703 -27.023 2.944 1.00 0.00 C ATOM 0 H LEU B 96 14.280 -27.402 -0.376 1.00 0.00 H new ATOM 0 HA LEU B 96 16.860 -27.096 0.634 1.00 0.00 H new ATOM 0 HB2 LEU B 96 14.926 -29.452 0.617 1.00 0.00 H new ATOM 0 HB3 LEU B 96 16.396 -29.405 1.571 1.00 0.00 H new ATOM 0 HG LEU B 96 13.964 -27.653 1.836 1.00 0.00 H new ATOM 0 HD11 LEU B 96 13.847 -28.577 4.112 1.00 0.00 H new ATOM 0 HD12 LEU B 96 13.722 -29.835 2.859 1.00 0.00 H new ATOM 0 HD13 LEU B 96 15.248 -29.614 3.748 1.00 0.00 H new ATOM 0 HD21 LEU B 96 15.138 -26.559 3.752 1.00 0.00 H new ATOM 0 HD22 LEU B 96 16.612 -27.470 3.347 1.00 0.00 H new ATOM 0 HD23 LEU B 96 15.968 -26.267 2.205 1.00 0.00 H new ATOM 3071 N THR B 97 18.480 -28.498 -0.499 1.00 0.00 N ATOM 3072 CA THR B 97 19.495 -29.240 -1.254 1.00 0.00 C ATOM 3073 C THR B 97 20.338 -30.049 -0.265 1.00 0.00 C ATOM 3074 O THR B 97 20.304 -29.787 0.942 1.00 0.00 O ATOM 3075 CB THR B 97 20.396 -28.350 -2.093 1.00 0.00 C ATOM 3076 OG1 THR B 97 21.203 -27.513 -1.242 1.00 0.00 O ATOM 3077 CG2 THR B 97 19.656 -27.497 -3.091 1.00 0.00 C ATOM 0 H THR B 97 18.853 -27.929 0.261 1.00 0.00 H new ATOM 0 HA THR B 97 18.974 -29.890 -1.956 1.00 0.00 H new ATOM 0 HB THR B 97 21.027 -29.025 -2.671 1.00 0.00 H new ATOM 0 HG1 THR B 97 21.780 -26.945 -1.794 1.00 0.00 H new ATOM 0 HG21 THR B 97 20.368 -26.891 -3.651 1.00 0.00 H new ATOM 0 HG22 THR B 97 19.105 -28.138 -3.780 1.00 0.00 H new ATOM 0 HG23 THR B 97 18.958 -26.845 -2.566 1.00 0.00 H new ATOM 3085 N LYS B 98 21.137 -30.979 -0.779 1.00 0.00 N ATOM 3086 CA LYS B 98 22.016 -31.788 0.046 1.00 0.00 C ATOM 3087 C LYS B 98 22.885 -30.934 0.959 1.00 0.00 C ATOM 3088 O LYS B 98 23.048 -31.232 2.145 1.00 0.00 O ATOM 3089 CB LYS B 98 22.941 -32.653 -0.835 1.00 0.00 C ATOM 3090 CG LYS B 98 22.487 -34.088 -1.012 1.00 0.00 C ATOM 3091 CD LYS B 98 23.545 -34.905 -1.758 1.00 0.00 C ATOM 3092 CE LYS B 98 22.934 -36.148 -2.383 1.00 0.00 C ATOM 3093 NZ LYS B 98 23.142 -37.357 -1.532 1.00 0.00 N ATOM 0 H LYS B 98 21.191 -31.190 -1.776 1.00 0.00 H new ATOM 0 HA LYS B 98 21.374 -32.421 0.659 1.00 0.00 H new ATOM 0 HB2 LYS B 98 23.023 -32.188 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS B 98 23.940 -32.653 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS B 98 22.296 -34.536 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS B 98 21.547 -34.111 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS B 98 24.003 -34.291 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS B 98 24.339 -35.193 -1.069 1.00 0.00 H new ATOM 0 HE2 LYS B 98 21.866 -35.991 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS B 98 23.375 -36.315 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 22.711 -38.184 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 24.161 -37.522 -1.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 22.699 -37.208 -0.603 1.00 0.00 H new ATOM 3107 N ALA B 99 23.473 -29.874 0.401 1.00 0.00 N ATOM 3108 CA ALA B 99 24.387 -29.025 1.127 1.00 0.00 C ATOM 3109 C ALA B 99 23.773 -28.333 2.321 1.00 0.00 C ATOM 3110 O ALA B 99 24.507 -27.892 3.215 1.00 0.00 O ATOM 3111 CB ALA B 99 25.067 -28.020 0.202 1.00 0.00 C ATOM 0 H ALA B 99 23.322 -29.590 -0.567 1.00 0.00 H new ATOM 0 HA ALA B 99 25.143 -29.698 1.533 1.00 0.00 H new ATOM 0 HB1 ALA B 99 25.749 -27.396 0.780 1.00 0.00 H new ATOM 0 HB2 ALA B 99 25.627 -28.553 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA B 99 24.312 -27.391 -0.270 1.00 0.00 H new ATOM 3117 N MET B 100 22.447 -28.295 2.426 1.00 0.00 N ATOM 3118 CA MET B 100 21.757 -27.665 3.522 1.00 0.00 C ATOM 3119 C MET B 100 21.492 -28.549 4.711 1.00 0.00 C ATOM 3120 O MET B 100 20.892 -28.114 5.706 1.00 0.00 O ATOM 3121 CB MET B 100 20.396 -27.094 3.038 1.00 0.00 C ATOM 3122 CG MET B 100 20.580 -26.195 1.826 1.00 0.00 C ATOM 3123 SD MET B 100 18.981 -25.495 1.319 1.00 0.00 S ATOM 3124 CE MET B 100 19.524 -24.453 -0.033 1.00 0.00 C ATOM 0 H MET B 100 21.822 -28.711 1.735 1.00 0.00 H new ATOM 0 HA MET B 100 22.439 -26.884 3.858 1.00 0.00 H new ATOM 0 HB2 MET B 100 19.722 -27.914 2.788 1.00 0.00 H new ATOM 0 HB3 MET B 100 19.927 -26.531 3.845 1.00 0.00 H new ATOM 0 HG2 MET B 100 21.279 -25.392 2.062 1.00 0.00 H new ATOM 0 HG3 MET B 100 21.014 -26.764 1.004 1.00 0.00 H new ATOM 0 HE1 MET B 100 18.928 -23.540 -0.051 1.00 0.00 H new ATOM 0 HE2 MET B 100 20.575 -24.198 0.104 1.00 0.00 H new ATOM 0 HE3 MET B 100 19.400 -24.986 -0.976 1.00 0.00 H new ATOM 3134 N ASP B 101 21.896 -29.828 4.633 1.00 0.00 N ATOM 3135 CA ASP B 101 21.704 -30.688 5.807 1.00 0.00 C ATOM 3136 C ASP B 101 22.358 -30.025 7.015 1.00 0.00 C ATOM 3137 O ASP B 101 23.540 -29.656 6.963 1.00 0.00 O ATOM 3138 CB ASP B 101 22.268 -32.078 5.576 1.00 0.00 C ATOM 3139 CG ASP B 101 21.555 -33.142 6.387 1.00 0.00 C ATOM 3140 OD1 ASP B 101 20.649 -32.795 7.176 1.00 0.00 O ATOM 3141 OD2 ASP B 101 21.884 -34.333 6.220 1.00 0.00 O ATOM 0 H ASP B 101 22.331 -30.267 3.822 1.00 0.00 H new ATOM 0 HA ASP B 101 20.636 -30.808 5.990 1.00 0.00 H new ATOM 0 HB2 ASP B 101 22.194 -32.324 4.517 1.00 0.00 H new ATOM 0 HB3 ASP B 101 23.328 -32.082 5.831 1.00 0.00 H new ATOM 3146 N ASN B 102 21.644 -29.931 8.115 1.00 0.00 N ATOM 3147 CA ASN B 102 22.086 -29.382 9.353 1.00 0.00 C ATOM 3148 C ASN B 102 22.299 -27.877 9.351 1.00 0.00 C ATOM 3149 O ASN B 102 22.834 -27.344 10.347 1.00 0.00 O ATOM 3150 CB ASN B 102 23.391 -30.060 9.853 1.00 0.00 C ATOM 3151 CG ASN B 102 23.260 -31.581 9.853 1.00 0.00 C ATOM 3152 OD1 ASN B 102 22.330 -32.131 10.423 1.00 0.00 O ATOM 3153 ND2 ASN B 102 24.183 -32.221 9.141 1.00 0.00 N ATOM 0 H ASN B 102 20.680 -30.260 8.159 1.00 0.00 H new ATOM 0 HA ASN B 102 21.258 -29.590 10.031 1.00 0.00 H new ATOM 0 HB2 ASN B 102 24.224 -29.764 9.216 1.00 0.00 H new ATOM 0 HB3 ASN B 102 23.621 -29.713 10.860 1.00 0.00 H new ATOM 0 HD21 ASN B 102 24.140 -33.236 9.045 1.00 0.00 H new ATOM 0 HD22 ASN B 102 24.934 -31.697 8.691 1.00 0.00 H new ATOM 3160 N MET B 103 21.922 -27.179 8.295 1.00 0.00 N ATOM 3161 CA MET B 103 22.108 -25.721 8.274 1.00 0.00 C ATOM 3162 C MET B 103 21.236 -25.043 9.328 1.00 0.00 C ATOM 3163 O MET B 103 20.234 -25.569 9.779 1.00 0.00 O ATOM 3164 CB MET B 103 21.817 -25.147 6.905 1.00 0.00 C ATOM 3165 CG MET B 103 20.322 -24.899 6.624 1.00 0.00 C ATOM 3166 SD MET B 103 20.129 -24.088 5.024 1.00 0.00 S ATOM 3167 CE MET B 103 18.344 -24.219 4.797 1.00 0.00 C ATOM 0 H MET B 103 21.496 -27.575 7.457 1.00 0.00 H new ATOM 0 HA MET B 103 23.154 -25.523 8.509 1.00 0.00 H new ATOM 0 HB2 MET B 103 22.356 -24.206 6.797 1.00 0.00 H new ATOM 0 HB3 MET B 103 22.209 -25.827 6.148 1.00 0.00 H new ATOM 0 HG2 MET B 103 19.779 -25.844 6.631 1.00 0.00 H new ATOM 0 HG3 MET B 103 19.892 -24.279 7.411 1.00 0.00 H new ATOM 0 HE1 MET B 103 18.066 -23.777 3.840 1.00 0.00 H new ATOM 0 HE2 MET B 103 18.052 -25.269 4.811 1.00 0.00 H new ATOM 0 HE3 MET B 103 17.835 -23.690 5.603 1.00 0.00 H new ATOM 3177 N THR B 104 21.575 -23.777 9.612 1.00 0.00 N ATOM 3178 CA THR B 104 20.734 -22.964 10.495 1.00 0.00 C ATOM 3179 C THR B 104 20.301 -21.702 9.749 1.00 0.00 C ATOM 3180 O THR B 104 21.113 -21.048 9.132 1.00 0.00 O ATOM 3181 CB THR B 104 21.507 -22.570 11.768 1.00 0.00 C ATOM 3182 OG1 THR B 104 21.820 -23.772 12.496 1.00 0.00 O ATOM 3183 CG2 THR B 104 20.703 -21.634 12.641 1.00 0.00 C ATOM 0 H THR B 104 22.405 -23.305 9.252 1.00 0.00 H new ATOM 0 HA THR B 104 19.859 -23.545 10.787 1.00 0.00 H new ATOM 0 HB THR B 104 22.418 -22.044 11.481 1.00 0.00 H new ATOM 0 HG1 THR B 104 22.314 -23.542 13.310 1.00 0.00 H new ATOM 0 HG21 THR B 104 21.281 -21.378 13.529 1.00 0.00 H new ATOM 0 HG22 THR B 104 20.472 -20.726 12.084 1.00 0.00 H new ATOM 0 HG23 THR B 104 19.775 -22.122 12.940 1.00 0.00 H new ATOM 3191 N VAL B 105 19.009 -21.363 9.849 1.00 0.00 N ATOM 3192 CA VAL B 105 18.499 -20.122 9.314 1.00 0.00 C ATOM 3193 C VAL B 105 17.947 -19.276 10.477 1.00 0.00 C ATOM 3194 O VAL B 105 17.544 -19.844 11.480 1.00 0.00 O ATOM 3195 CB VAL B 105 17.413 -20.263 8.255 1.00 0.00 C ATOM 3196 CG1 VAL B 105 17.937 -20.917 6.982 1.00 0.00 C ATOM 3197 CG2 VAL B 105 16.183 -21.009 8.767 1.00 0.00 C ATOM 0 H VAL B 105 18.304 -21.945 10.301 1.00 0.00 H new ATOM 0 HA VAL B 105 19.342 -19.650 8.809 1.00 0.00 H new ATOM 0 HB VAL B 105 17.103 -19.246 8.014 1.00 0.00 H new ATOM 0 HG11 VAL B 105 17.129 -20.997 6.255 1.00 0.00 H new ATOM 0 HG12 VAL B 105 18.741 -20.310 6.565 1.00 0.00 H new ATOM 0 HG13 VAL B 105 18.317 -21.912 7.214 1.00 0.00 H new ATOM 0 HG21 VAL B 105 15.442 -21.080 7.970 1.00 0.00 H new ATOM 0 HG22 VAL B 105 16.471 -22.011 9.084 1.00 0.00 H new ATOM 0 HG23 VAL B 105 15.756 -20.470 9.612 1.00 0.00 H new ATOM 3207 N ARG B 106 17.950 -17.955 10.299 1.00 0.00 N ATOM 3208 CA ARG B 106 17.451 -17.067 11.332 1.00 0.00 C ATOM 3209 C ARG B 106 16.230 -16.295 10.863 1.00 0.00 C ATOM 3210 O ARG B 106 16.201 -15.747 9.756 1.00 0.00 O ATOM 3211 CB ARG B 106 18.545 -16.072 11.789 1.00 0.00 C ATOM 3212 CG ARG B 106 18.006 -15.094 12.865 1.00 0.00 C ATOM 3213 CD ARG B 106 19.082 -14.138 13.293 1.00 0.00 C ATOM 3214 NE ARG B 106 20.227 -14.766 13.926 1.00 0.00 N ATOM 3215 CZ ARG B 106 20.263 -15.171 15.196 1.00 0.00 C ATOM 3216 NH1 ARG B 106 19.203 -15.052 15.981 1.00 0.00 N ATOM 3217 NH2 ARG B 106 21.375 -15.709 15.692 1.00 0.00 N ATOM 0 H ARG B 106 18.289 -17.487 9.458 1.00 0.00 H new ATOM 0 HA ARG B 106 17.164 -17.694 12.176 1.00 0.00 H new ATOM 0 HB2 ARG B 106 19.396 -16.623 12.189 1.00 0.00 H new ATOM 0 HB3 ARG B 106 18.907 -15.507 10.930 1.00 0.00 H new ATOM 0 HG2 ARG B 106 17.156 -14.540 12.468 1.00 0.00 H new ATOM 0 HG3 ARG B 106 17.646 -15.655 13.727 1.00 0.00 H new ATOM 0 HD2 ARG B 106 19.425 -13.582 12.420 1.00 0.00 H new ATOM 0 HD3 ARG B 106 18.653 -13.413 13.985 1.00 0.00 H new ATOM 0 HE ARG B 106 21.063 -14.908 13.359 1.00 0.00 H new ATOM 0 HH11 ARG B 106 18.342 -14.645 15.616 1.00 0.00 H new ATOM 0 HH12 ARG B 106 19.248 -15.367 16.950 1.00 0.00 H new ATOM 0 HH21 ARG B 106 22.200 -15.811 15.101 1.00 0.00 H new ATOM 0 HH22 ARG B 106 21.402 -16.019 16.663 1.00 0.00 H new ATOM 3231 N VAL B 107 15.209 -16.266 11.721 1.00 0.00 N ATOM 3232 CA VAL B 107 14.022 -15.477 11.493 1.00 0.00 C ATOM 3233 C VAL B 107 14.228 -14.109 12.180 1.00 0.00 C ATOM 3234 O VAL B 107 14.430 -13.982 13.335 1.00 0.00 O ATOM 3235 CB VAL B 107 12.748 -16.111 12.035 1.00 0.00 C ATOM 3236 CG1 VAL B 107 11.532 -15.254 11.691 1.00 0.00 C ATOM 3237 CG2 VAL B 107 12.553 -17.542 11.551 1.00 0.00 C ATOM 0 H VAL B 107 15.193 -16.795 12.593 1.00 0.00 H new ATOM 0 HA VAL B 107 13.888 -15.390 10.415 1.00 0.00 H new ATOM 0 HB VAL B 107 12.854 -16.157 13.119 1.00 0.00 H new ATOM 0 HG11 VAL B 107 10.632 -15.724 12.087 1.00 0.00 H new ATOM 0 HG12 VAL B 107 11.648 -14.264 12.132 1.00 0.00 H new ATOM 0 HG13 VAL B 107 11.447 -15.161 10.608 1.00 0.00 H new ATOM 0 HG21 VAL B 107 11.630 -17.945 11.968 1.00 0.00 H new ATOM 0 HG22 VAL B 107 12.495 -17.553 10.463 1.00 0.00 H new ATOM 0 HG23 VAL B 107 13.395 -18.154 11.876 1.00 0.00 H new ATOM 3247 N PRO B 108 14.266 -13.080 11.269 1.00 0.00 N ATOM 3248 CA PRO B 108 14.497 -11.733 11.783 1.00 0.00 C ATOM 3249 C PRO B 108 13.293 -11.129 12.455 1.00 0.00 C ATOM 3250 O PRO B 108 12.134 -11.554 12.217 1.00 0.00 O ATOM 3251 CB PRO B 108 14.923 -10.970 10.528 1.00 0.00 C ATOM 3252 CG PRO B 108 14.061 -11.565 9.471 1.00 0.00 C ATOM 3253 CD PRO B 108 14.026 -13.047 9.769 1.00 0.00 C ATOM 3254 OXT PRO B 108 13.480 -10.250 13.340 1.00 0.00 O ATOM 0 HA PRO B 108 15.241 -11.709 12.579 1.00 0.00 H new ATOM 0 HB2 PRO B 108 14.755 -9.898 10.630 1.00 0.00 H new ATOM 0 HB3 PRO B 108 15.982 -11.108 10.311 1.00 0.00 H new ATOM 0 HG2 PRO B 108 13.059 -11.136 9.493 1.00 0.00 H new ATOM 0 HG3 PRO B 108 14.468 -11.373 8.478 1.00 0.00 H new ATOM 0 HD2 PRO B 108 13.069 -13.494 9.500 1.00 0.00 H new ATOM 0 HD3 PRO B 108 14.796 -13.590 9.222 1.00 0.00 H new TER 3262 PRO B 108 HETATM 3263 FE HEC A 104 0.000 0.000 0.000 1.00 0.00 FE HETATM 3264 CHA HEC A 104 2.094 2.528 -0.877 1.00 0.00 C HETATM 3265 CHB HEC A 104 -2.464 2.278 0.522 1.00 0.00 C HETATM 3266 CHC HEC A 104 -2.165 -2.532 0.349 1.00 0.00 C HETATM 3267 CHD HEC A 104 2.555 -2.114 0.085 1.00 0.00 C HETATM 3268 NA HEC A 104 -0.111 1.961 -0.150 1.00 0.00 N HETATM 3269 C1A HEC A 104 0.802 2.877 -0.508 1.00 0.00 C HETATM 3270 C2A HEC A 104 0.198 4.205 -0.773 1.00 0.00 C HETATM 3271 C3A HEC A 104 -1.062 4.103 -0.348 1.00 0.00 C HETATM 3272 C4A HEC A 104 -1.334 2.781 0.011 1.00 0.00 C HETATM 3273 CMA HEC A 104 -2.137 5.255 -0.382 1.00 0.00 C HETATM 3274 CAA HEC A 104 1.028 5.384 -1.191 1.00 0.00 C HETATM 3275 CBA HEC A 104 1.565 6.111 0.084 1.00 0.00 C HETATM 3276 CGA HEC A 104 2.237 7.463 -0.095 1.00 0.00 C HETATM 3277 O1A HEC A 104 2.655 7.954 0.961 1.00 0.00 O HETATM 3278 O2A HEC A 104 2.342 7.976 -1.229 1.00 0.00 O HETATM 3279 NB HEC A 104 -1.964 -0.121 0.378 1.00 0.00 N HETATM 3280 C1B HEC A 104 -2.761 0.946 0.775 1.00 0.00 C HETATM 3281 C2B HEC A 104 -4.075 0.370 1.046 1.00 0.00 C HETATM 3282 C3B HEC A 104 -4.044 -0.982 0.942 1.00 0.00 C HETATM 3283 C4B HEC A 104 -2.677 -1.241 0.573 1.00 0.00 C HETATM 3284 CMB HEC A 104 -5.268 1.261 1.552 1.00 0.00 C HETATM 3285 CAB HEC A 104 -5.087 -2.036 1.202 1.00 0.00 C HETATM 3286 CBB HEC A 104 -6.021 -2.306 0.011 1.00 0.00 C HETATM 3287 NC HEC A 104 0.210 -1.969 0.181 1.00 0.00 N HETATM 3288 C1C HEC A 104 -0.756 -2.921 0.310 1.00 0.00 C HETATM 3289 C2C HEC A 104 -0.339 -4.252 0.512 1.00 0.00 C HETATM 3290 C3C HEC A 104 1.000 -4.142 0.390 1.00 0.00 C HETATM 3291 C4C HEC A 104 1.352 -2.730 0.274 1.00 0.00 C HETATM 3292 CMC HEC A 104 -1.162 -5.490 0.698 1.00 0.00 C HETATM 3293 CAC HEC A 104 2.141 -5.167 0.685 1.00 0.00 C HETATM 3294 CBC HEC A 104 1.944 -6.486 -0.095 1.00 0.00 C HETATM 3295 ND HEC A 104 1.970 0.160 -0.324 1.00 0.00 N HETATM 3296 C1D HEC A 104 2.912 -0.858 -0.241 1.00 0.00 C HETATM 3297 C2D HEC A 104 4.172 -0.362 -0.549 1.00 0.00 C HETATM 3298 C3D HEC A 104 4.044 0.938 -0.855 1.00 0.00 C HETATM 3299 C4D HEC A 104 2.621 1.260 -0.786 1.00 0.00 C HETATM 3300 CMD HEC A 104 5.522 -1.211 -0.627 1.00 0.00 C HETATM 3301 CAD HEC A 104 5.177 1.850 -1.392 1.00 0.00 C HETATM 3302 CBD HEC A 104 5.091 2.071 -2.884 1.00 0.00 C HETATM 3303 CGD HEC A 104 6.317 2.606 -3.601 1.00 0.00 C HETATM 3304 O1D HEC A 104 7.153 3.245 -2.906 1.00 0.00 O HETATM 3305 O2D HEC A 104 6.279 2.497 -4.847 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.718 -1.672 0.341 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.420 -1.987 -1.385 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.351 -0.554 -0.890 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.793 -5.379 1.580 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.790 -5.645 -0.180 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -0.503 -6.349 0.829 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -4.998 1.726 2.500 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -5.481 2.036 0.816 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -6.153 0.640 1.691 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.786 6.098 0.213 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -2.292 5.578 -1.412 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -3.077 4.887 0.029 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.823 1.121 -3.346 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 4.268 2.761 -3.072 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 0.995 -6.940 0.191 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 1.939 -6.279 -1.165 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 2.759 -7.172 0.138 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -6.551 -1.390 -0.251 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.433 -2.642 -0.843 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.742 -3.078 0.282 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.729 6.242 0.771 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 2.277 5.446 0.572 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 5.134 2.813 -0.883 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 6.142 1.404 -1.150 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 1.860 5.056 -1.815 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 0.431 6.070 -1.791 1.00 0.00 H new HETATM 0 HHD HEC A 104 3.406 -2.780 0.228 1.00 0.00 H new HETATM 0 HHC HEC A 104 -2.895 -3.325 0.188 1.00 0.00 H new HETATM 0 HHB HEC A 104 -3.243 2.999 0.769 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.738 3.316 -1.267 1.00 0.00 H new HETATM 0 H2D HEC A 104 5.387 2.199 -5.122 1.00 0.00 H new HETATM 0 H2A HEC A 104 1.618 7.650 -1.804 1.00 0.00 H new HETATM 3338 FE1 FES B 109 5.027 -14.472 0.730 1.00 0.00 FE HETATM 3339 FE2 FES B 109 7.243 -15.911 0.521 1.00 0.00 FE HETATM 3340 S1 FES B 109 6.766 -14.081 -0.554 1.00 0.00 S HETATM 3341 S2 FES B 109 5.414 -16.491 1.530 1.00 0.00 S