USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 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 Set 1.1: B 55 LYS NZ :NH3+ -126:sc= 1.01 (180deg=-0.106) USER MOD Set 1.2: Y 105 HIS : no HE2:sc= -1.47 K(o=-1.3,f=-18!) USER MOD Set 1.3: Y 109 MET CE :methyl 145:sc= -0.502 (180deg=-0.034) USER MOD Set 1.4: Y 112 THR OG1 : rot -130:sc= -0.366 USER MOD Set 2.1: A 55 LYS NZ :NH3+ -124:sc= 1.26 (180deg=-0.11) USER MOD Set 2.2: X 105 HIS : no HE2:sc= -2.02! C(o=-1.6!,f=-14!) USER MOD Set 2.3: X 109 MET CE :methyl 145:sc= -0.471 (180deg=-0.024) USER MOD Set 2.4: X 112 THR OG1 : rot -130:sc= -0.364 USER MOD Set 3.1: A 78 SER OG : rot 57:sc= 0.304 USER MOD Set 3.2: B 78 SER OG : rot 173:sc= -0.732 USER MOD Set 4.1: B 57 MET CE :methyl -131:sc= -2.08 (180deg=-6.02!) USER MOD Set 4.2: B 68 CYS SG : rot 180:sc= 0.236 USER MOD Set 5.1: B 17 TYR OH : rot -12:sc= 0.843 USER MOD Set 5.2: B 38 ASN :FLIP amide:sc= 0 F(o=-0.27,f=0.84) USER MOD Set 6.1: B 33 LYS NZ :NH3+ 155:sc= -3.67! (180deg=-3.36!) USER MOD Set 6.2: B 37 ASN :FLIP amide:sc= -2.19 F(o=-7.7!,f=-5.9) USER MOD Set 7.1: A 81 THR OG1 : rot 73:sc= 0.738 USER MOD Set 7.2: B 7 MET CE :methyl 170:sc= -0.322 (180deg=-0.486) USER MOD Set 7.3: B 74 MET CE :methyl 138:sc= -2.28 (180deg=-8.33!) USER MOD Set 8.1: A 57 MET CE :methyl -133:sc= -1.63 (180deg=-5.04!) USER MOD Set 8.2: A 68 CYS SG : rot 180:sc= 0.174 USER MOD Set 9.1: A 33 LYS NZ :NH3+ 157:sc= -3.77! (180deg=-3.16!) USER MOD Set 9.2: A 37 ASN :FLIP amide:sc= -2.19 F(o=-7.4!,f=-6) USER MOD Set10.1: A 17 TYR OH : rot -20:sc= 0.942 USER MOD Set10.2: A 38 ASN :FLIP amide:sc= 0 F(o=-0.18,f=0.94) USER MOD Set11.1: A 7 MET CE :methyl 169:sc= -0.316 (180deg=-0.442) USER MOD Set11.2: A 74 MET CE :methyl 138:sc= -1.98 (180deg=-8.08!) USER MOD Set11.3: B 81 THR OG1 : rot 71:sc= 0.618 USER MOD Set12.1: A 5 LYS NZ :NH3+ 168:sc= -0.101 (180deg=-0.0019) USER MOD Set12.2: B 5 LYS NZ :NH3+ 172:sc= -0.0951 (180deg=-0.000536) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -173:sc= 0.103 (180deg=0.093) USER MOD Single : A 1 SER OG : rot -48:sc= 0.124 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 16 GLN : amide:sc= -9.81! C(o=-9.8!,f=-9.5!) USER MOD Single : A 18 SER OG : rot -52:sc= -0.0135 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.33) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 1.14 (180deg=-1.1!) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.00686) USER MOD Single : A 30 SER OG : rot 170:sc= -0.349 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.05 K(o=-2,f=-7.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.1!) USER MOD Single : A 79 MET CE :methyl 162:sc= -0.574 (180deg=-1.8!) USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.634 USER MOD Single : A 84 CYS SG : rot -27:sc= 0.0318 USER MOD Single : A 85 HIS :FLIP no HD1:sc= -3.59 F(o=-4.5!,f=-3.6) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -172:sc= 0.102 (180deg=0.0907) USER MOD Single : B 1 SER OG : rot -44:sc= 0.135 USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0005) USER MOD Single : B 16 GLN :FLIP amide:sc= -9.07! C(o=-9.8!,f=-9.1!) USER MOD Single : B 18 SER OG : rot -52:sc= -0.0547 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.4) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -141:sc= 1.08 (180deg=-1.22!) USER MOD Single : B 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00279) USER MOD Single : B 30 SER OG : rot 170:sc= -0.34 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.22) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -2.1 K(o=-2.1,f=-7.2!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.0027 K(o=-0.0027,f=-1.6!) USER MOD Single : B 79 MET CE :methyl 159:sc= -0.674 (180deg=-1.83!) USER MOD Single : B 82 THR OG1 : rot -160:sc= -0.614 USER MOD Single : B 84 CYS SG : rot -28:sc= 0.0395 USER MOD Single : B 85 HIS :FLIP no HD1:sc= -4.47! C(o=-5.5!,f=-4.5!) USER MOD Single : X 106 LYS NZ :NH3+ -167:sc= -1.98 (180deg=-2.52!) USER MOD Single : X 107 LYS NZ :NH3+ -161:sc= -0.0676 (180deg=-0.542) USER MOD Single : X 111 LYS NZ :NH3+ 172:sc= -5.83! (180deg=-6.04!) USER MOD Single : Y 106 LYS NZ :NH3+ -163:sc= -1.88 (180deg=-2.53!) USER MOD Single : Y 107 LYS NZ :NH3+ -141:sc= -0.0507 (180deg=-0.567) USER MOD Single : Y 111 LYS NZ :NH3+ 173:sc= -5.87! (180deg=-5.99!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.734 -2.270 -12.233 1.00 0.00 N ATOM 2 CA MET A 0 1.127 -2.884 -13.448 1.00 0.00 C ATOM 3 C MET A 0 -0.188 -2.166 -13.770 1.00 0.00 C ATOM 4 O MET A 0 -1.254 -2.601 -13.383 1.00 0.00 O ATOM 5 CB MET A 0 0.858 -4.372 -13.185 1.00 0.00 C ATOM 6 CG MET A 0 0.232 -5.030 -14.422 1.00 0.00 C ATOM 7 SD MET A 0 1.391 -4.945 -15.812 1.00 0.00 S ATOM 8 CE MET A 0 0.921 -6.504 -16.604 1.00 0.00 C ATOM 0 H1 MET A 0 2.681 -2.671 -12.078 1.00 0.00 H new ATOM 0 H2 MET A 0 1.811 -1.241 -12.365 1.00 0.00 H new ATOM 0 H3 MET A 0 1.134 -2.469 -11.407 1.00 0.00 H new ATOM 0 HA MET A 0 1.809 -2.787 -14.293 1.00 0.00 H new ATOM 0 HB2 MET A 0 1.790 -4.877 -12.929 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.191 -4.482 -12.330 1.00 0.00 H new ATOM 0 HG2 MET A 0 -0.017 -6.069 -14.206 1.00 0.00 H new ATOM 0 HG3 MET A 0 -0.699 -4.527 -14.681 1.00 0.00 H new ATOM 0 HE1 MET A 0 1.524 -6.653 -17.500 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.089 -7.329 -15.912 1.00 0.00 H new ATOM 0 HE3 MET A 0 -0.133 -6.469 -16.878 1.00 0.00 H new ATOM 20 N SER A 1 -0.120 -1.071 -14.478 1.00 0.00 N ATOM 21 CA SER A 1 -1.370 -0.324 -14.832 1.00 0.00 C ATOM 22 C SER A 1 -2.123 0.090 -13.568 1.00 0.00 C ATOM 23 O SER A 1 -3.281 0.453 -13.614 1.00 0.00 O ATOM 24 CB SER A 1 -2.271 -1.209 -15.697 1.00 0.00 C ATOM 25 OG SER A 1 -3.245 -0.398 -16.340 1.00 0.00 O ATOM 0 H SER A 1 0.745 -0.659 -14.828 1.00 0.00 H new ATOM 0 HA SER A 1 -1.095 0.573 -15.387 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.675 -1.740 -16.439 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.759 -1.964 -15.081 1.00 0.00 H new ATOM 0 HG SER A 1 -3.659 0.199 -15.682 1.00 0.00 H new ATOM 31 N GLU A 2 -1.471 0.062 -12.446 1.00 0.00 N ATOM 32 CA GLU A 2 -2.136 0.478 -11.181 1.00 0.00 C ATOM 33 C GLU A 2 -2.225 1.995 -11.157 1.00 0.00 C ATOM 34 O GLU A 2 -2.676 2.586 -10.203 1.00 0.00 O ATOM 35 CB GLU A 2 -1.315 -0.016 -9.998 1.00 0.00 C ATOM 36 CG GLU A 2 -1.440 -1.531 -9.942 1.00 0.00 C ATOM 37 CD GLU A 2 -0.482 -2.094 -8.891 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.663 -2.339 -9.233 1.00 0.00 O ATOM 39 OE2 GLU A 2 -0.910 -2.274 -7.763 1.00 0.00 O ATOM 0 H GLU A 2 -0.500 -0.233 -12.347 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.138 0.052 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.271 0.277 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.674 0.431 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.465 -1.811 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.215 -1.960 -10.919 1.00 0.00 H new ATOM 46 N LEU A 3 -1.770 2.621 -12.203 1.00 0.00 N ATOM 47 CA LEU A 3 -1.779 4.107 -12.269 1.00 0.00 C ATOM 48 C LEU A 3 -3.103 4.661 -11.747 1.00 0.00 C ATOM 49 O LEU A 3 -3.156 5.755 -11.233 1.00 0.00 O ATOM 50 CB LEU A 3 -1.572 4.550 -13.721 1.00 0.00 C ATOM 51 CG LEU A 3 -1.463 6.080 -13.800 1.00 0.00 C ATOM 52 CD1 LEU A 3 -0.216 6.560 -13.033 1.00 0.00 C ATOM 53 CD2 LEU A 3 -1.364 6.500 -15.275 1.00 0.00 C ATOM 0 H LEU A 3 -1.386 2.159 -13.028 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.973 4.493 -11.645 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.668 4.093 -14.123 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.404 4.205 -14.336 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.346 6.532 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.147 7.646 -13.094 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.294 6.260 -11.988 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.676 6.114 -13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.286 7.585 -15.340 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.481 6.045 -15.724 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.254 6.168 -15.809 1.00 0.00 H new ATOM 65 N GLU A 4 -4.169 3.931 -11.865 1.00 0.00 N ATOM 66 CA GLU A 4 -5.469 4.457 -11.347 1.00 0.00 C ATOM 67 C GLU A 4 -5.397 4.516 -9.827 1.00 0.00 C ATOM 68 O GLU A 4 -5.869 5.441 -9.197 1.00 0.00 O ATOM 69 CB GLU A 4 -6.616 3.533 -11.775 1.00 0.00 C ATOM 70 CG GLU A 4 -7.955 4.086 -11.264 1.00 0.00 C ATOM 71 CD GLU A 4 -8.147 3.743 -9.781 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.492 2.828 -9.310 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.948 4.405 -9.142 1.00 0.00 O ATOM 0 H GLU A 4 -4.205 3.005 -12.290 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.653 5.452 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.639 3.448 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.453 2.530 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.984 5.167 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.775 3.669 -11.849 1.00 0.00 H new ATOM 80 N LYS A 5 -4.806 3.523 -9.245 1.00 0.00 N ATOM 81 CA LYS A 5 -4.678 3.471 -7.769 1.00 0.00 C ATOM 82 C LYS A 5 -3.689 4.538 -7.286 1.00 0.00 C ATOM 83 O LYS A 5 -3.871 5.132 -6.247 1.00 0.00 O ATOM 84 CB LYS A 5 -4.204 2.058 -7.376 1.00 0.00 C ATOM 85 CG LYS A 5 -3.612 2.042 -5.946 1.00 0.00 C ATOM 86 CD LYS A 5 -2.077 2.236 -6.001 1.00 0.00 C ATOM 87 CE LYS A 5 -1.369 0.881 -6.109 1.00 0.00 C ATOM 88 NZ LYS A 5 -1.262 0.271 -4.754 1.00 0.00 N ATOM 0 H LYS A 5 -4.397 2.729 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.639 3.677 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.041 1.362 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.453 1.713 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.065 2.833 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.849 1.097 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.814 2.860 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.738 2.760 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.924 0.220 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.377 1.010 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.972 -0.724 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.555 0.789 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.185 0.321 -4.277 1.00 0.00 H new ATOM 102 N ALA A 6 -2.624 4.752 -8.008 1.00 0.00 N ATOM 103 CA ALA A 6 -1.605 5.744 -7.569 1.00 0.00 C ATOM 104 C ALA A 6 -2.156 7.164 -7.635 1.00 0.00 C ATOM 105 O ALA A 6 -1.894 7.974 -6.772 1.00 0.00 O ATOM 106 CB ALA A 6 -0.367 5.630 -8.465 1.00 0.00 C ATOM 0 H ALA A 6 -2.416 4.279 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.338 5.530 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.381 6.356 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.047 4.624 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.647 5.829 -9.499 1.00 0.00 H new ATOM 112 N MET A 7 -2.902 7.484 -8.644 1.00 0.00 N ATOM 113 CA MET A 7 -3.449 8.862 -8.743 1.00 0.00 C ATOM 114 C MET A 7 -4.438 9.106 -7.610 1.00 0.00 C ATOM 115 O MET A 7 -4.484 10.168 -7.023 1.00 0.00 O ATOM 116 CB MET A 7 -4.152 9.043 -10.090 1.00 0.00 C ATOM 117 CG MET A 7 -3.113 9.060 -11.212 1.00 0.00 C ATOM 118 SD MET A 7 -3.907 9.555 -12.761 1.00 0.00 S ATOM 119 CE MET A 7 -2.394 9.873 -13.701 1.00 0.00 C ATOM 0 H MET A 7 -3.159 6.855 -9.405 1.00 0.00 H new ATOM 0 HA MET A 7 -2.631 9.579 -8.666 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.864 8.234 -10.252 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.721 9.973 -10.093 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.308 9.752 -10.966 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.663 8.073 -11.321 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.641 10.006 -14.754 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.914 10.776 -13.324 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.714 9.028 -13.592 1.00 0.00 H new ATOM 129 N VAL A 8 -5.230 8.127 -7.306 1.00 0.00 N ATOM 130 CA VAL A 8 -6.231 8.280 -6.217 1.00 0.00 C ATOM 131 C VAL A 8 -5.511 8.450 -4.876 1.00 0.00 C ATOM 132 O VAL A 8 -5.940 9.193 -4.020 1.00 0.00 O ATOM 133 CB VAL A 8 -7.128 7.037 -6.173 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.002 7.073 -4.914 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.023 7.014 -7.415 1.00 0.00 C ATOM 0 H VAL A 8 -5.230 7.217 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.844 9.161 -6.406 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.506 6.142 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.638 6.188 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.365 7.090 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.625 7.967 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.662 6.131 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.643 7.910 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.402 6.984 -8.310 1.00 0.00 H new ATOM 145 N ALA A 9 -4.442 7.732 -4.682 1.00 0.00 N ATOM 146 CA ALA A 9 -3.701 7.803 -3.385 1.00 0.00 C ATOM 147 C ALA A 9 -3.039 9.167 -3.183 1.00 0.00 C ATOM 148 O ALA A 9 -3.026 9.693 -2.089 1.00 0.00 O ATOM 149 CB ALA A 9 -2.624 6.725 -3.366 1.00 0.00 C ATOM 0 H ALA A 9 -4.043 7.093 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.419 7.650 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.080 6.771 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.089 5.744 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.932 6.887 -4.192 1.00 0.00 H new ATOM 155 N LEU A 10 -2.480 9.745 -4.206 1.00 0.00 N ATOM 156 CA LEU A 10 -1.820 11.068 -4.013 1.00 0.00 C ATOM 157 C LEU A 10 -2.866 12.050 -3.516 1.00 0.00 C ATOM 158 O LEU A 10 -2.620 12.870 -2.654 1.00 0.00 O ATOM 159 CB LEU A 10 -1.257 11.574 -5.347 1.00 0.00 C ATOM 160 CG LEU A 10 -0.040 10.724 -5.790 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.160 10.797 -7.332 1.00 0.00 C ATOM 162 CD2 LEU A 10 1.236 11.237 -5.087 1.00 0.00 C ATOM 0 H LEU A 10 -2.450 9.369 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.004 10.973 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.032 11.534 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.960 12.618 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.229 9.687 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.021 10.192 -7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.731 10.419 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.331 11.832 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.090 10.637 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.406 12.279 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.113 11.157 -4.007 1.00 0.00 H new ATOM 174 N ILE A 11 -4.036 11.961 -4.063 1.00 0.00 N ATOM 175 CA ILE A 11 -5.132 12.865 -3.653 1.00 0.00 C ATOM 176 C ILE A 11 -5.538 12.591 -2.197 1.00 0.00 C ATOM 177 O ILE A 11 -5.827 13.505 -1.456 1.00 0.00 O ATOM 178 CB ILE A 11 -6.321 12.660 -4.599 1.00 0.00 C ATOM 179 CG1 ILE A 11 -5.956 13.219 -5.985 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.549 13.393 -4.052 1.00 0.00 C ATOM 181 CD1 ILE A 11 -6.970 12.763 -7.043 1.00 0.00 C ATOM 0 H ILE A 11 -4.284 11.289 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.797 13.901 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.551 11.597 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.929 14.308 -5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.957 12.885 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.392 13.245 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.799 12.999 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.331 14.458 -3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.691 13.171 -8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.977 11.674 -7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.964 13.120 -6.772 1.00 0.00 H new ATOM 193 N ASP A 12 -5.592 11.349 -1.780 1.00 0.00 N ATOM 194 CA ASP A 12 -6.011 11.061 -0.372 1.00 0.00 C ATOM 195 C ASP A 12 -5.060 11.724 0.635 1.00 0.00 C ATOM 196 O ASP A 12 -5.492 12.352 1.580 1.00 0.00 O ATOM 197 CB ASP A 12 -6.021 9.549 -0.132 1.00 0.00 C ATOM 198 CG ASP A 12 -7.178 8.913 -0.907 1.00 0.00 C ATOM 199 OD1 ASP A 12 -8.097 9.633 -1.258 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.124 7.715 -1.134 1.00 0.00 O ATOM 0 H ASP A 12 -5.367 10.531 -2.346 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.012 11.468 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.074 9.114 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.125 9.340 0.933 1.00 0.00 H new ATOM 205 N VAL A 13 -3.776 11.587 0.449 1.00 0.00 N ATOM 206 CA VAL A 13 -2.808 12.205 1.412 1.00 0.00 C ATOM 207 C VAL A 13 -2.978 13.736 1.396 1.00 0.00 C ATOM 208 O VAL A 13 -2.940 14.391 2.427 1.00 0.00 O ATOM 209 CB VAL A 13 -1.365 11.760 1.024 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.376 12.930 1.056 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.864 10.684 2.002 1.00 0.00 C ATOM 0 H VAL A 13 -3.352 11.076 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.999 11.870 2.432 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.416 11.368 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.617 12.575 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.697 13.697 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.343 13.352 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.145 10.380 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.854 11.089 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.527 9.820 1.963 1.00 0.00 H new ATOM 221 N PHE A 14 -3.179 14.306 0.243 1.00 0.00 N ATOM 222 CA PHE A 14 -3.359 15.781 0.164 1.00 0.00 C ATOM 223 C PHE A 14 -4.569 16.180 1.003 1.00 0.00 C ATOM 224 O PHE A 14 -4.574 17.212 1.622 1.00 0.00 O ATOM 225 CB PHE A 14 -3.578 16.195 -1.303 1.00 0.00 C ATOM 226 CG PHE A 14 -4.110 17.616 -1.386 1.00 0.00 C ATOM 227 CD1 PHE A 14 -5.472 17.860 -1.172 1.00 0.00 C ATOM 228 CD2 PHE A 14 -3.250 18.684 -1.676 1.00 0.00 C ATOM 229 CE1 PHE A 14 -5.972 19.165 -1.248 1.00 0.00 C ATOM 230 CE2 PHE A 14 -3.751 19.987 -1.752 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.112 20.228 -1.538 1.00 0.00 C ATOM 0 H PHE A 14 -3.227 13.814 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.470 16.284 0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.639 16.120 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.280 15.510 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.138 17.040 -0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.199 18.500 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.023 19.351 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.086 20.808 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.498 21.235 -1.597 1.00 0.00 H new ATOM 241 N HIS A 15 -5.598 15.385 1.008 1.00 0.00 N ATOM 242 CA HIS A 15 -6.813 15.739 1.794 1.00 0.00 C ATOM 243 C HIS A 15 -6.530 15.703 3.302 1.00 0.00 C ATOM 244 O HIS A 15 -7.107 16.464 4.056 1.00 0.00 O ATOM 245 CB HIS A 15 -7.945 14.764 1.456 1.00 0.00 C ATOM 246 CG HIS A 15 -9.212 15.218 2.127 1.00 0.00 C ATOM 247 ND1 HIS A 15 -9.889 16.365 1.733 1.00 0.00 N ATOM 248 CD2 HIS A 15 -9.941 14.691 3.165 1.00 0.00 C ATOM 249 CE1 HIS A 15 -10.972 16.489 2.523 1.00 0.00 C ATOM 250 NE2 HIS A 15 -11.048 15.495 3.409 1.00 0.00 N ATOM 0 H HIS A 15 -5.652 14.502 0.501 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.108 16.754 1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.089 14.717 0.377 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.685 13.759 1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.692 13.791 3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.689 17.293 2.449 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.768 15.354 4.118 1.00 0.00 H new ATOM 259 N GLN A 16 -5.672 14.828 3.768 1.00 0.00 N ATOM 260 CA GLN A 16 -5.412 14.776 5.237 1.00 0.00 C ATOM 261 C GLN A 16 -4.868 16.124 5.737 1.00 0.00 C ATOM 262 O GLN A 16 -5.214 16.575 6.811 1.00 0.00 O ATOM 263 CB GLN A 16 -4.372 13.681 5.531 1.00 0.00 C ATOM 264 CG GLN A 16 -5.037 12.302 5.563 1.00 0.00 C ATOM 265 CD GLN A 16 -5.562 11.938 4.176 1.00 0.00 C ATOM 266 OE1 GLN A 16 -4.994 11.101 3.502 1.00 0.00 O ATOM 267 NE2 GLN A 16 -6.631 12.530 3.720 1.00 0.00 N ATOM 0 H GLN A 16 -5.149 14.158 3.204 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.349 14.557 5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.593 13.698 4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.887 13.879 6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.320 11.552 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.856 12.302 6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.106 13.232 4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.992 12.291 2.796 1.00 0.00 H new ATOM 276 N TYR A 17 -3.999 16.755 4.991 1.00 0.00 N ATOM 277 CA TYR A 17 -3.409 18.059 5.456 1.00 0.00 C ATOM 278 C TYR A 17 -4.166 19.264 4.901 1.00 0.00 C ATOM 279 O TYR A 17 -4.105 20.345 5.452 1.00 0.00 O ATOM 280 CB TYR A 17 -1.950 18.116 5.019 1.00 0.00 C ATOM 281 CG TYR A 17 -1.202 17.087 5.817 1.00 0.00 C ATOM 282 CD1 TYR A 17 -1.319 15.740 5.478 1.00 0.00 C ATOM 283 CD2 TYR A 17 -0.433 17.472 6.917 1.00 0.00 C ATOM 284 CE1 TYR A 17 -0.661 14.773 6.231 1.00 0.00 C ATOM 285 CE2 TYR A 17 0.223 16.505 7.679 1.00 0.00 C ATOM 286 CZ TYR A 17 0.112 15.152 7.337 1.00 0.00 C ATOM 287 OH TYR A 17 0.759 14.193 8.090 1.00 0.00 O ATOM 0 H TYR A 17 -3.669 16.430 4.082 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.488 18.105 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.861 17.913 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.536 19.110 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.921 15.447 4.630 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.346 18.517 7.177 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.746 13.730 5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.816 16.800 8.532 1.00 0.00 H new ATOM 0 HH TYR A 17 0.344 13.319 7.934 1.00 0.00 H new ATOM 297 N SER A 18 -4.863 19.107 3.824 1.00 0.00 N ATOM 298 CA SER A 18 -5.597 20.268 3.258 1.00 0.00 C ATOM 299 C SER A 18 -6.593 20.768 4.304 1.00 0.00 C ATOM 300 O SER A 18 -6.775 21.955 4.488 1.00 0.00 O ATOM 301 CB SER A 18 -6.341 19.836 1.993 1.00 0.00 C ATOM 302 OG SER A 18 -7.481 19.067 2.357 1.00 0.00 O ATOM 0 H SER A 18 -4.960 18.232 3.309 1.00 0.00 H new ATOM 0 HA SER A 18 -4.900 21.065 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.647 20.712 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.682 19.250 1.352 1.00 0.00 H new ATOM 0 HG SER A 18 -7.209 18.344 2.960 1.00 0.00 H new ATOM 308 N GLY A 19 -7.230 19.865 4.998 1.00 0.00 N ATOM 309 CA GLY A 19 -8.210 20.273 6.050 1.00 0.00 C ATOM 310 C GLY A 19 -7.484 20.537 7.376 1.00 0.00 C ATOM 311 O GLY A 19 -8.101 20.617 8.420 1.00 0.00 O ATOM 0 H GLY A 19 -7.115 18.858 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.742 21.170 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.957 19.490 6.185 1.00 0.00 H new ATOM 315 N ARG A 20 -6.181 20.643 7.358 1.00 0.00 N ATOM 316 CA ARG A 20 -5.438 20.867 8.636 1.00 0.00 C ATOM 317 C ARG A 20 -5.889 22.171 9.306 1.00 0.00 C ATOM 318 O ARG A 20 -6.163 22.200 10.490 1.00 0.00 O ATOM 319 CB ARG A 20 -3.931 20.921 8.348 1.00 0.00 C ATOM 320 CG ARG A 20 -3.147 21.266 9.626 1.00 0.00 C ATOM 321 CD ARG A 20 -3.518 20.301 10.754 1.00 0.00 C ATOM 322 NE ARG A 20 -2.466 20.346 11.809 1.00 0.00 N ATOM 323 CZ ARG A 20 -2.692 19.829 12.987 1.00 0.00 C ATOM 324 NH1 ARG A 20 -3.844 19.275 13.252 1.00 0.00 N ATOM 325 NH2 ARG A 20 -1.763 19.872 13.904 1.00 0.00 N ATOM 0 H ARG A 20 -5.602 20.585 6.521 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.652 20.042 9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.595 19.960 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.729 21.666 7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.076 21.212 9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.364 22.290 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.485 20.573 11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.614 19.288 10.364 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.566 20.782 11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.572 19.245 12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.016 18.872 14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.864 20.308 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.936 19.469 14.825 1.00 0.00 H new ATOM 339 N GLU A 21 -5.964 23.249 8.564 1.00 0.00 N ATOM 340 CA GLU A 21 -6.393 24.561 9.160 1.00 0.00 C ATOM 341 C GLU A 21 -7.785 24.929 8.651 1.00 0.00 C ATOM 342 O GLU A 21 -8.507 25.671 9.286 1.00 0.00 O ATOM 343 CB GLU A 21 -5.421 25.664 8.734 1.00 0.00 C ATOM 344 CG GLU A 21 -4.044 25.411 9.345 1.00 0.00 C ATOM 345 CD GLU A 21 -4.109 25.617 10.859 1.00 0.00 C ATOM 346 OE1 GLU A 21 -4.856 26.482 11.288 1.00 0.00 O ATOM 347 OE2 GLU A 21 -3.409 24.910 11.564 1.00 0.00 O ATOM 0 H GLU A 21 -5.747 23.281 7.568 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.403 24.465 10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.346 25.694 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.797 26.636 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.716 24.396 9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.311 26.088 8.907 1.00 0.00 H new ATOM 354 N GLY A 22 -8.169 24.417 7.509 1.00 0.00 N ATOM 355 CA GLY A 22 -9.520 24.737 6.951 1.00 0.00 C ATOM 356 C GLY A 22 -9.404 25.049 5.458 1.00 0.00 C ATOM 357 O GLY A 22 -10.385 25.034 4.740 1.00 0.00 O ATOM 0 H GLY A 22 -7.604 23.789 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.195 23.895 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.948 25.590 7.478 1.00 0.00 H new ATOM 361 N ASP A 23 -8.222 25.326 4.972 1.00 0.00 N ATOM 362 CA ASP A 23 -8.083 25.626 3.521 1.00 0.00 C ATOM 363 C ASP A 23 -8.039 24.303 2.762 1.00 0.00 C ATOM 364 O ASP A 23 -6.999 23.853 2.327 1.00 0.00 O ATOM 365 CB ASP A 23 -6.793 26.408 3.275 1.00 0.00 C ATOM 366 CG ASP A 23 -6.915 27.801 3.894 1.00 0.00 C ATOM 367 OD1 ASP A 23 -8.033 28.221 4.142 1.00 0.00 O ATOM 368 OD2 ASP A 23 -5.888 28.422 4.114 1.00 0.00 O ATOM 0 H ASP A 23 -7.357 25.357 5.512 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.925 26.228 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.945 25.878 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.603 26.489 2.205 1.00 0.00 H new ATOM 373 N LYS A 24 -9.165 23.668 2.616 1.00 0.00 N ATOM 374 CA LYS A 24 -9.198 22.366 1.904 1.00 0.00 C ATOM 375 C LYS A 24 -8.787 22.567 0.443 1.00 0.00 C ATOM 376 O LYS A 24 -8.088 21.759 -0.135 1.00 0.00 O ATOM 377 CB LYS A 24 -10.616 21.796 1.966 1.00 0.00 C ATOM 378 CG LYS A 24 -10.935 21.408 3.413 1.00 0.00 C ATOM 379 CD LYS A 24 -12.307 20.726 3.486 1.00 0.00 C ATOM 380 CE LYS A 24 -13.425 21.742 3.222 1.00 0.00 C ATOM 381 NZ LYS A 24 -14.718 21.180 3.704 1.00 0.00 N ATOM 0 H LYS A 24 -10.067 23.997 2.961 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.504 21.672 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.334 22.533 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.701 20.926 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.166 20.737 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.927 22.296 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.359 19.920 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.443 20.273 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.209 22.680 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.486 21.966 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.481 21.864 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.923 20.295 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.654 20.988 4.724 1.00 0.00 H new ATOM 395 N HIS A 25 -9.234 23.633 -0.160 1.00 0.00 N ATOM 396 CA HIS A 25 -8.894 23.890 -1.589 1.00 0.00 C ATOM 397 C HIS A 25 -7.493 24.503 -1.728 1.00 0.00 C ATOM 398 O HIS A 25 -6.936 24.519 -2.808 1.00 0.00 O ATOM 399 CB HIS A 25 -9.929 24.840 -2.191 1.00 0.00 C ATOM 400 CG HIS A 25 -9.566 25.130 -3.621 1.00 0.00 C ATOM 401 ND1 HIS A 25 -9.320 24.121 -4.542 1.00 0.00 N ATOM 402 CD2 HIS A 25 -9.400 26.310 -4.303 1.00 0.00 C ATOM 403 CE1 HIS A 25 -9.022 24.708 -5.716 1.00 0.00 C ATOM 404 NE2 HIS A 25 -9.056 26.038 -5.622 1.00 0.00 N ATOM 0 H HIS A 25 -9.823 24.341 0.277 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.902 22.938 -2.121 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.922 24.394 -2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.966 25.767 -1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.518 27.297 -3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.785 24.169 -6.621 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -8.869 26.714 -6.363 1.00 0.00 H new ATOM 413 N LYS A 26 -6.920 25.025 -0.665 1.00 0.00 N ATOM 414 CA LYS A 26 -5.555 25.651 -0.776 1.00 0.00 C ATOM 415 C LYS A 26 -4.649 25.198 0.377 1.00 0.00 C ATOM 416 O LYS A 26 -5.093 24.908 1.467 1.00 0.00 O ATOM 417 CB LYS A 26 -5.684 27.178 -0.731 1.00 0.00 C ATOM 418 CG LYS A 26 -6.378 27.685 -1.997 1.00 0.00 C ATOM 419 CD LYS A 26 -6.495 29.211 -1.931 1.00 0.00 C ATOM 420 CE LYS A 26 -7.187 29.734 -3.191 1.00 0.00 C ATOM 421 NZ LYS A 26 -7.535 31.172 -3.006 1.00 0.00 N ATOM 0 H LYS A 26 -7.333 25.046 0.268 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.112 25.336 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.253 27.477 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.697 27.632 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.811 27.390 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.367 27.236 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.061 29.503 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.505 29.657 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.532 29.615 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.088 29.154 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.006 31.528 -3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.175 31.272 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.668 31.720 -2.834 1.00 0.00 H new ATOM 435 N LEU A 27 -3.367 25.155 0.124 1.00 0.00 N ATOM 436 CA LEU A 27 -2.370 24.745 1.165 1.00 0.00 C ATOM 437 C LEU A 27 -1.492 25.956 1.497 1.00 0.00 C ATOM 438 O LEU A 27 -0.964 26.602 0.617 1.00 0.00 O ATOM 439 CB LEU A 27 -1.484 23.613 0.596 1.00 0.00 C ATOM 440 CG LEU A 27 -2.068 22.226 0.927 1.00 0.00 C ATOM 441 CD1 LEU A 27 -1.930 21.915 2.431 1.00 0.00 C ATOM 442 CD2 LEU A 27 -3.546 22.165 0.512 1.00 0.00 C ATOM 0 H LEU A 27 -2.958 25.392 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.880 24.393 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.397 23.725 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.478 23.694 1.007 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.507 21.477 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.350 20.931 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.876 21.927 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.467 22.668 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.950 21.181 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.107 22.928 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.631 22.343 -0.560 1.00 0.00 H new ATOM 454 N LYS A 28 -1.321 26.264 2.757 1.00 0.00 N ATOM 455 CA LYS A 28 -0.466 27.423 3.134 1.00 0.00 C ATOM 456 C LYS A 28 0.926 26.905 3.491 1.00 0.00 C ATOM 457 O LYS A 28 1.077 25.788 3.944 1.00 0.00 O ATOM 458 CB LYS A 28 -1.074 28.129 4.350 1.00 0.00 C ATOM 459 CG LYS A 28 -2.469 28.658 3.990 1.00 0.00 C ATOM 460 CD LYS A 28 -2.958 29.653 5.054 1.00 0.00 C ATOM 461 CE LYS A 28 -3.314 28.922 6.354 1.00 0.00 C ATOM 462 NZ LYS A 28 -4.353 27.887 6.084 1.00 0.00 N ATOM 0 H LYS A 28 -1.738 25.761 3.540 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.402 28.127 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.141 27.437 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.432 28.951 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.440 29.144 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.170 27.827 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.184 30.395 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.830 30.191 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.423 28.455 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.680 29.634 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.899 27.709 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.992 28.223 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.894 27.006 5.777 1.00 0.00 H new ATOM 476 N LYS A 29 1.949 27.702 3.303 1.00 0.00 N ATOM 477 CA LYS A 29 3.322 27.241 3.650 1.00 0.00 C ATOM 478 C LYS A 29 3.277 26.638 5.045 1.00 0.00 C ATOM 479 O LYS A 29 4.097 25.826 5.425 1.00 0.00 O ATOM 480 CB LYS A 29 4.295 28.430 3.624 1.00 0.00 C ATOM 481 CG LYS A 29 4.016 29.401 4.782 1.00 0.00 C ATOM 482 CD LYS A 29 4.963 30.602 4.669 1.00 0.00 C ATOM 483 CE LYS A 29 4.803 31.507 5.896 1.00 0.00 C ATOM 484 NZ LYS A 29 5.570 30.935 7.038 1.00 0.00 N ATOM 0 H LYS A 29 1.890 28.648 2.926 1.00 0.00 H new ATOM 0 HA LYS A 29 3.666 26.499 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.320 28.066 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.204 28.957 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.979 29.736 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.160 28.897 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.994 30.258 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.746 31.164 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.162 32.511 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.749 31.597 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.069 31.135 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.660 29.906 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.517 31.364 7.070 1.00 0.00 H new ATOM 498 N SER A 30 2.298 27.035 5.802 1.00 0.00 N ATOM 499 CA SER A 30 2.155 26.492 7.181 1.00 0.00 C ATOM 500 C SER A 30 1.562 25.087 7.089 1.00 0.00 C ATOM 501 O SER A 30 2.082 24.142 7.646 1.00 0.00 O ATOM 502 CB SER A 30 1.232 27.393 8.002 1.00 0.00 C ATOM 503 OG SER A 30 -0.048 27.440 7.388 1.00 0.00 O ATOM 0 H SER A 30 1.588 27.714 5.527 1.00 0.00 H new ATOM 0 HA SER A 30 3.129 26.455 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.146 27.013 9.020 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.652 28.397 8.071 1.00 0.00 H new ATOM 0 HG SER A 30 -0.684 27.880 7.990 1.00 0.00 H new ATOM 509 N GLU A 31 0.491 24.941 6.358 1.00 0.00 N ATOM 510 CA GLU A 31 -0.123 23.598 6.193 1.00 0.00 C ATOM 511 C GLU A 31 0.908 22.701 5.515 1.00 0.00 C ATOM 512 O GLU A 31 1.022 21.527 5.801 1.00 0.00 O ATOM 513 CB GLU A 31 -1.372 23.713 5.319 1.00 0.00 C ATOM 514 CG GLU A 31 -2.462 24.455 6.096 1.00 0.00 C ATOM 515 CD GLU A 31 -3.694 24.633 5.209 1.00 0.00 C ATOM 516 OE1 GLU A 31 -3.831 23.885 4.259 1.00 0.00 O ATOM 517 OE2 GLU A 31 -4.485 25.513 5.501 1.00 0.00 O ATOM 0 H GLU A 31 0.015 25.698 5.867 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.413 23.181 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.138 24.246 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.723 22.722 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.726 23.897 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.092 25.427 6.422 1.00 0.00 H new ATOM 524 N LEU A 32 1.663 23.270 4.617 1.00 0.00 N ATOM 525 CA LEU A 32 2.711 22.501 3.895 1.00 0.00 C ATOM 526 C LEU A 32 3.715 21.946 4.904 1.00 0.00 C ATOM 527 O LEU A 32 4.209 20.858 4.755 1.00 0.00 O ATOM 528 CB LEU A 32 3.425 23.418 2.896 1.00 0.00 C ATOM 529 CG LEU A 32 4.515 22.642 2.140 1.00 0.00 C ATOM 530 CD1 LEU A 32 3.894 21.461 1.374 1.00 0.00 C ATOM 531 CD2 LEU A 32 5.201 23.589 1.149 1.00 0.00 C ATOM 0 H LEU A 32 1.596 24.252 4.350 1.00 0.00 H new ATOM 0 HA LEU A 32 2.252 21.675 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.704 23.827 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.870 24.263 3.422 1.00 0.00 H new ATOM 0 HG LEU A 32 5.242 22.254 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.677 20.920 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.402 20.789 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.163 21.836 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.977 23.048 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.465 23.972 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.650 24.421 1.692 1.00 0.00 H new ATOM 543 N LYS A 33 4.026 22.693 5.922 1.00 0.00 N ATOM 544 CA LYS A 33 5.009 22.205 6.943 1.00 0.00 C ATOM 545 C LYS A 33 4.483 20.914 7.577 1.00 0.00 C ATOM 546 O LYS A 33 5.232 19.994 7.841 1.00 0.00 O ATOM 547 CB LYS A 33 5.157 23.282 8.037 1.00 0.00 C ATOM 548 CG LYS A 33 6.109 22.838 9.171 1.00 0.00 C ATOM 549 CD LYS A 33 7.564 22.855 8.686 1.00 0.00 C ATOM 550 CE LYS A 33 8.531 22.658 9.867 1.00 0.00 C ATOM 551 NZ LYS A 33 8.706 21.204 10.132 1.00 0.00 N ATOM 0 H LYS A 33 3.645 23.623 6.098 1.00 0.00 H new ATOM 0 HA LYS A 33 5.973 22.012 6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.533 24.202 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.177 23.508 8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.997 23.501 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.843 21.836 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.716 22.067 7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.776 23.802 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.494 23.115 9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.142 23.156 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.606 21.047 10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.921 20.862 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.713 20.685 9.231 1.00 0.00 H new ATOM 565 N GLU A 34 3.210 20.842 7.843 1.00 0.00 N ATOM 566 CA GLU A 34 2.654 19.619 8.479 1.00 0.00 C ATOM 567 C GLU A 34 2.677 18.443 7.494 1.00 0.00 C ATOM 568 O GLU A 34 2.979 17.333 7.858 1.00 0.00 O ATOM 569 CB GLU A 34 1.224 19.898 8.962 1.00 0.00 C ATOM 570 CG GLU A 34 1.256 20.807 10.199 1.00 0.00 C ATOM 571 CD GLU A 34 1.606 22.236 9.787 1.00 0.00 C ATOM 572 OE1 GLU A 34 0.779 22.867 9.153 1.00 0.00 O ATOM 573 OE2 GLU A 34 2.692 22.679 10.121 1.00 0.00 O ATOM 0 H GLU A 34 2.531 21.578 7.647 1.00 0.00 H new ATOM 0 HA GLU A 34 3.270 19.349 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.649 20.372 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.723 18.960 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.287 20.790 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.990 20.436 10.915 1.00 0.00 H new ATOM 580 N LEU A 35 2.368 18.670 6.253 1.00 0.00 N ATOM 581 CA LEU A 35 2.400 17.547 5.267 1.00 0.00 C ATOM 582 C LEU A 35 3.826 16.997 5.196 1.00 0.00 C ATOM 583 O LEU A 35 4.055 15.805 5.245 1.00 0.00 O ATOM 584 CB LEU A 35 1.962 18.084 3.891 1.00 0.00 C ATOM 585 CG LEU A 35 2.122 17.021 2.775 1.00 0.00 C ATOM 586 CD1 LEU A 35 3.605 16.833 2.372 1.00 0.00 C ATOM 587 CD2 LEU A 35 1.532 15.682 3.237 1.00 0.00 C ATOM 0 H LEU A 35 2.095 19.577 5.874 1.00 0.00 H new ATOM 0 HA LEU A 35 1.724 16.747 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.921 18.403 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.554 18.965 3.640 1.00 0.00 H new ATOM 0 HG LEU A 35 1.580 17.376 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.676 16.080 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.005 17.778 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.179 16.508 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.649 14.941 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.054 15.344 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.473 15.809 3.462 1.00 0.00 H new ATOM 599 N ILE A 36 4.780 17.871 5.046 1.00 0.00 N ATOM 600 CA ILE A 36 6.202 17.443 4.923 1.00 0.00 C ATOM 601 C ILE A 36 6.800 16.997 6.263 1.00 0.00 C ATOM 602 O ILE A 36 7.535 16.044 6.320 1.00 0.00 O ATOM 603 CB ILE A 36 7.039 18.614 4.384 1.00 0.00 C ATOM 604 CG1 ILE A 36 6.425 19.139 3.085 1.00 0.00 C ATOM 605 CG2 ILE A 36 8.468 18.142 4.096 1.00 0.00 C ATOM 606 CD1 ILE A 36 7.274 20.290 2.541 1.00 0.00 C ATOM 0 H ILE A 36 4.633 18.879 5.003 1.00 0.00 H new ATOM 0 HA ILE A 36 6.224 16.591 4.243 1.00 0.00 H new ATOM 0 HB ILE A 36 7.054 19.406 5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.367 18.337 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.406 19.480 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.057 18.976 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.920 17.769 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.445 17.344 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.834 20.661 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.309 21.095 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.285 19.935 2.344 1.00 0.00 H new ATOM 618 N ASN A 37 6.574 17.721 7.317 1.00 0.00 N ATOM 619 CA ASN A 37 7.233 17.360 8.614 1.00 0.00 C ATOM 620 C ASN A 37 6.551 16.201 9.354 1.00 0.00 C ATOM 621 O ASN A 37 7.183 15.490 10.111 1.00 0.00 O ATOM 622 CB ASN A 37 7.213 18.595 9.512 1.00 0.00 C ATOM 623 CG ASN A 37 8.088 18.351 10.741 1.00 0.00 C ATOM 624 OD1 ASN A 37 9.378 18.522 10.649 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 7.594 18.001 11.795 1.00 0.00 N flip ATOM 0 H ASN A 37 5.969 18.541 7.346 1.00 0.00 H new ATOM 0 HA ASN A 37 8.245 17.028 8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.576 19.463 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.191 18.817 9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.585 17.868 11.866 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.188 17.841 12.608 1.00 0.00 H new ATOM 632 N ASN A 38 5.275 16.042 9.196 1.00 0.00 N ATOM 633 CA ASN A 38 4.533 14.967 9.951 1.00 0.00 C ATOM 634 C ASN A 38 4.237 13.731 9.104 1.00 0.00 C ATOM 635 O ASN A 38 4.267 12.621 9.597 1.00 0.00 O ATOM 636 CB ASN A 38 3.211 15.541 10.456 1.00 0.00 C ATOM 637 CG ASN A 38 2.481 14.492 11.298 1.00 0.00 C ATOM 638 OD1 ASN A 38 3.174 13.643 12.007 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 1.267 14.444 11.311 1.00 0.00 N flip ATOM 0 H ASN A 38 4.696 16.607 8.575 1.00 0.00 H new ATOM 0 HA ASN A 38 5.176 14.651 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.396 16.435 11.052 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.589 15.842 9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.724 15.107 10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.790 13.741 11.876 1.00 0.00 H new ATOM 646 N GLU A 39 3.904 13.893 7.858 1.00 0.00 N ATOM 647 CA GLU A 39 3.558 12.692 7.043 1.00 0.00 C ATOM 648 C GLU A 39 4.838 11.990 6.592 1.00 0.00 C ATOM 649 O GLU A 39 4.810 10.870 6.122 1.00 0.00 O ATOM 650 CB GLU A 39 2.725 13.122 5.822 1.00 0.00 C ATOM 651 CG GLU A 39 1.984 11.910 5.240 1.00 0.00 C ATOM 652 CD GLU A 39 0.708 11.635 6.052 1.00 0.00 C ATOM 653 OE1 GLU A 39 0.713 11.898 7.242 1.00 0.00 O ATOM 654 OE2 GLU A 39 -0.257 11.173 5.466 1.00 0.00 O ATOM 0 H GLU A 39 3.855 14.788 7.371 1.00 0.00 H new ATOM 0 HA GLU A 39 2.971 11.998 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.009 13.891 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.374 13.560 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.728 12.096 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.632 11.034 5.258 1.00 0.00 H new ATOM 661 N LEU A 40 5.966 12.633 6.742 1.00 0.00 N ATOM 662 CA LEU A 40 7.260 12.002 6.335 1.00 0.00 C ATOM 663 C LEU A 40 7.966 11.467 7.582 1.00 0.00 C ATOM 664 O LEU A 40 9.119 11.762 7.813 1.00 0.00 O ATOM 665 CB LEU A 40 8.170 13.051 5.696 1.00 0.00 C ATOM 666 CG LEU A 40 7.650 13.482 4.311 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.787 12.328 3.291 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.180 13.913 4.387 1.00 0.00 C ATOM 0 H LEU A 40 6.049 13.572 7.131 1.00 0.00 H new ATOM 0 HA LEU A 40 7.057 11.199 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.237 13.922 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.178 12.648 5.598 1.00 0.00 H new ATOM 0 HG LEU A 40 8.254 14.328 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.414 12.654 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.836 12.045 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.208 11.470 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.837 14.212 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.575 13.080 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.082 14.753 5.074 1.00 0.00 H new ATOM 680 N SER A 41 7.285 10.703 8.398 1.00 0.00 N ATOM 681 CA SER A 41 7.925 10.174 9.644 1.00 0.00 C ATOM 682 C SER A 41 9.363 9.719 9.355 1.00 0.00 C ATOM 683 O SER A 41 10.299 10.188 9.972 1.00 0.00 O ATOM 684 CB SER A 41 7.106 8.992 10.168 1.00 0.00 C ATOM 685 OG SER A 41 5.926 9.482 10.793 1.00 0.00 O ATOM 0 H SER A 41 6.315 10.422 8.257 1.00 0.00 H new ATOM 0 HA SER A 41 7.954 10.965 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.847 8.322 9.348 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.695 8.413 10.879 1.00 0.00 H new ATOM 0 HG SER A 41 5.397 8.729 11.129 1.00 0.00 H new ATOM 691 N HIS A 42 9.555 8.827 8.415 1.00 0.00 N ATOM 692 CA HIS A 42 10.946 8.369 8.086 1.00 0.00 C ATOM 693 C HIS A 42 11.082 8.145 6.576 1.00 0.00 C ATOM 694 O HIS A 42 12.123 7.745 6.093 1.00 0.00 O ATOM 695 CB HIS A 42 11.244 7.060 8.824 1.00 0.00 C ATOM 696 CG HIS A 42 10.380 5.958 8.275 1.00 0.00 C ATOM 697 ND1 HIS A 42 9.061 5.783 8.669 1.00 0.00 N ATOM 698 CD2 HIS A 42 10.634 4.963 7.363 1.00 0.00 C ATOM 699 CE1 HIS A 42 8.576 4.719 8.002 1.00 0.00 C ATOM 700 NE2 HIS A 42 9.495 4.186 7.196 1.00 0.00 N ATOM 0 H HIS A 42 8.814 8.396 7.862 1.00 0.00 H new ATOM 0 HA HIS A 42 11.655 9.135 8.399 1.00 0.00 H new ATOM 0 HB2 HIS A 42 12.296 6.800 8.711 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.058 7.183 9.891 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.574 4.809 6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.569 4.344 8.107 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.385 3.377 6.585 1.00 0.00 H new ATOM 709 N PHE A 43 10.043 8.389 5.826 1.00 0.00 N ATOM 710 CA PHE A 43 10.125 8.177 4.355 1.00 0.00 C ATOM 711 C PHE A 43 11.041 9.238 3.728 1.00 0.00 C ATOM 712 O PHE A 43 11.796 8.955 2.818 1.00 0.00 O ATOM 713 CB PHE A 43 8.713 8.242 3.753 1.00 0.00 C ATOM 714 CG PHE A 43 8.763 8.234 2.232 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.551 7.296 1.539 1.00 0.00 C ATOM 716 CD2 PHE A 43 8.006 9.167 1.510 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.577 7.301 0.140 1.00 0.00 C ATOM 718 CE2 PHE A 43 8.035 9.168 0.112 1.00 0.00 C ATOM 719 CZ PHE A 43 8.821 8.236 -0.573 1.00 0.00 C ATOM 0 H PHE A 43 9.143 8.725 6.168 1.00 0.00 H new ATOM 0 HA PHE A 43 10.548 7.195 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.125 7.394 4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.209 9.144 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.136 6.572 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.398 9.888 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.183 6.581 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.450 9.889 -0.439 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.844 8.239 -1.653 1.00 0.00 H new ATOM 729 N LEU A 44 10.990 10.455 4.214 1.00 0.00 N ATOM 730 CA LEU A 44 11.864 11.538 3.660 1.00 0.00 C ATOM 731 C LEU A 44 12.401 12.350 4.831 1.00 0.00 C ATOM 732 O LEU A 44 11.800 12.394 5.887 1.00 0.00 O ATOM 733 CB LEU A 44 11.038 12.451 2.746 1.00 0.00 C ATOM 734 CG LEU A 44 11.959 13.381 1.936 1.00 0.00 C ATOM 735 CD1 LEU A 44 12.773 12.578 0.898 1.00 0.00 C ATOM 736 CD2 LEU A 44 11.095 14.428 1.219 1.00 0.00 C ATOM 0 H LEU A 44 10.377 10.747 4.975 1.00 0.00 H new ATOM 0 HA LEU A 44 12.682 11.107 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.435 11.847 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.347 13.045 3.344 1.00 0.00 H new ATOM 0 HG LEU A 44 12.660 13.870 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.417 13.256 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.386 11.837 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.092 12.074 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.735 15.094 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.396 13.926 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.540 15.008 1.956 1.00 0.00 H new ATOM 748 N GLU A 45 13.518 12.994 4.672 1.00 0.00 N ATOM 749 CA GLU A 45 14.052 13.787 5.805 1.00 0.00 C ATOM 750 C GLU A 45 13.042 14.879 6.153 1.00 0.00 C ATOM 751 O GLU A 45 12.778 15.771 5.371 1.00 0.00 O ATOM 752 CB GLU A 45 15.384 14.432 5.404 1.00 0.00 C ATOM 753 CG GLU A 45 15.946 15.248 6.579 1.00 0.00 C ATOM 754 CD GLU A 45 16.362 14.304 7.704 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.441 13.113 7.453 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.602 14.789 8.797 1.00 0.00 O ATOM 0 H GLU A 45 14.077 13.006 3.819 1.00 0.00 H new ATOM 0 HA GLU A 45 14.217 13.139 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.097 13.662 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.239 15.078 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.802 15.837 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.195 15.951 6.939 1.00 0.00 H new ATOM 763 N GLU A 46 12.487 14.822 7.329 1.00 0.00 N ATOM 764 CA GLU A 46 11.506 15.862 7.742 1.00 0.00 C ATOM 765 C GLU A 46 12.175 17.230 7.746 1.00 0.00 C ATOM 766 O GLU A 46 13.382 17.353 7.694 1.00 0.00 O ATOM 767 CB GLU A 46 10.973 15.557 9.149 1.00 0.00 C ATOM 768 CG GLU A 46 9.891 14.491 9.057 1.00 0.00 C ATOM 769 CD GLU A 46 9.441 14.087 10.462 1.00 0.00 C ATOM 770 OE1 GLU A 46 10.026 14.578 11.414 1.00 0.00 O ATOM 771 OE2 GLU A 46 8.520 13.293 10.563 1.00 0.00 O ATOM 0 H GLU A 46 12.670 14.098 8.024 1.00 0.00 H new ATOM 0 HA GLU A 46 10.677 15.861 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.784 15.214 9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.570 16.463 9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.042 14.870 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.270 13.620 8.522 1.00 0.00 H new ATOM 778 N ILE A 47 11.386 18.260 7.803 1.00 0.00 N ATOM 779 CA ILE A 47 11.938 19.635 7.814 1.00 0.00 C ATOM 780 C ILE A 47 12.245 20.025 9.259 1.00 0.00 C ATOM 781 O ILE A 47 11.493 19.719 10.163 1.00 0.00 O ATOM 782 CB ILE A 47 10.899 20.601 7.237 1.00 0.00 C ATOM 783 CG1 ILE A 47 10.482 20.151 5.816 1.00 0.00 C ATOM 784 CG2 ILE A 47 11.479 22.024 7.213 1.00 0.00 C ATOM 785 CD1 ILE A 47 11.472 20.653 4.757 1.00 0.00 C ATOM 0 H ILE A 47 10.368 18.206 7.843 1.00 0.00 H new ATOM 0 HA ILE A 47 12.847 19.680 7.214 1.00 0.00 H new ATOM 0 HB ILE A 47 10.010 20.596 7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.427 19.063 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.484 20.528 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.739 22.711 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.735 22.330 8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.375 22.041 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.150 20.319 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.506 21.742 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.464 20.254 4.969 1.00 0.00 H new ATOM 797 N LYS A 48 13.353 20.678 9.486 1.00 0.00 N ATOM 798 CA LYS A 48 13.733 21.073 10.878 1.00 0.00 C ATOM 799 C LYS A 48 13.545 22.580 11.057 1.00 0.00 C ATOM 800 O LYS A 48 13.394 23.063 12.162 1.00 0.00 O ATOM 801 CB LYS A 48 15.206 20.705 11.106 1.00 0.00 C ATOM 802 CG LYS A 48 15.499 19.306 10.533 1.00 0.00 C ATOM 803 CD LYS A 48 14.691 18.236 11.274 1.00 0.00 C ATOM 804 CE LYS A 48 14.966 16.878 10.636 1.00 0.00 C ATOM 805 NZ LYS A 48 14.430 15.799 11.513 1.00 0.00 N ATOM 0 H LYS A 48 14.017 20.958 8.764 1.00 0.00 H new ATOM 0 HA LYS A 48 13.102 20.551 11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.851 21.443 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.433 20.724 12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.253 19.284 9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.564 19.089 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.966 18.219 12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.627 18.467 11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.501 16.826 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.038 16.743 10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.617 14.873 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.894 15.845 12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.404 15.925 11.631 1.00 0.00 H new ATOM 819 N GLU A 49 13.555 23.328 9.980 1.00 0.00 N ATOM 820 CA GLU A 49 13.379 24.813 10.080 1.00 0.00 C ATOM 821 C GLU A 49 12.308 25.290 9.098 1.00 0.00 C ATOM 822 O GLU A 49 12.142 24.747 8.024 1.00 0.00 O ATOM 823 CB GLU A 49 14.707 25.500 9.750 1.00 0.00 C ATOM 824 CG GLU A 49 15.664 25.338 10.928 1.00 0.00 C ATOM 825 CD GLU A 49 17.000 26.009 10.604 1.00 0.00 C ATOM 826 OE1 GLU A 49 17.137 27.185 10.896 1.00 0.00 O ATOM 827 OE2 GLU A 49 17.863 25.334 10.067 1.00 0.00 O ATOM 0 H GLU A 49 13.678 22.973 9.032 1.00 0.00 H new ATOM 0 HA GLU A 49 13.067 25.065 11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.142 25.064 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.541 26.557 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.231 25.782 11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 15.819 24.280 11.140 1.00 0.00 H new ATOM 834 N GLN A 50 11.600 26.324 9.459 1.00 0.00 N ATOM 835 CA GLN A 50 10.554 26.881 8.557 1.00 0.00 C ATOM 836 C GLN A 50 11.234 27.532 7.360 1.00 0.00 C ATOM 837 O GLN A 50 10.635 27.722 6.326 1.00 0.00 O ATOM 838 CB GLN A 50 9.753 27.950 9.305 1.00 0.00 C ATOM 839 CG GLN A 50 8.880 27.298 10.374 1.00 0.00 C ATOM 840 CD GLN A 50 7.759 26.514 9.692 1.00 0.00 C ATOM 841 OE1 GLN A 50 7.466 25.397 10.066 1.00 0.00 O ATOM 842 NE2 GLN A 50 7.122 27.057 8.690 1.00 0.00 N ATOM 0 H GLN A 50 11.703 26.811 10.349 1.00 0.00 H new ATOM 0 HA GLN A 50 9.889 26.082 8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.431 28.668 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.130 28.505 8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.480 26.633 10.996 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.461 28.058 11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.369 27.996 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.377 26.543 8.220 1.00 0.00 H new ATOM 851 N GLU A 51 12.479 27.893 7.505 1.00 0.00 N ATOM 852 CA GLU A 51 13.202 28.555 6.379 1.00 0.00 C ATOM 853 C GLU A 51 13.238 27.632 5.163 1.00 0.00 C ATOM 854 O GLU A 51 13.085 28.071 4.046 1.00 0.00 O ATOM 855 CB GLU A 51 14.630 28.901 6.824 1.00 0.00 C ATOM 856 CG GLU A 51 15.498 27.637 6.836 1.00 0.00 C ATOM 857 CD GLU A 51 16.784 27.905 7.621 1.00 0.00 C ATOM 858 OE1 GLU A 51 17.122 29.066 7.788 1.00 0.00 O ATOM 859 OE2 GLU A 51 17.409 26.946 8.042 1.00 0.00 O ATOM 0 H GLU A 51 13.028 27.759 8.354 1.00 0.00 H new ATOM 0 HA GLU A 51 12.679 29.471 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.060 29.641 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.611 29.348 7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.949 26.811 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.738 27.339 5.815 1.00 0.00 H new ATOM 866 N VAL A 52 13.441 26.363 5.366 1.00 0.00 N ATOM 867 CA VAL A 52 13.481 25.433 4.210 1.00 0.00 C ATOM 868 C VAL A 52 12.152 25.499 3.490 1.00 0.00 C ATOM 869 O VAL A 52 12.085 25.455 2.285 1.00 0.00 O ATOM 870 CB VAL A 52 13.726 24.007 4.698 1.00 0.00 C ATOM 871 CG1 VAL A 52 13.733 23.052 3.504 1.00 0.00 C ATOM 872 CG2 VAL A 52 15.071 23.945 5.416 1.00 0.00 C ATOM 0 H VAL A 52 13.580 25.931 6.280 1.00 0.00 H new ATOM 0 HA VAL A 52 14.288 25.719 3.535 1.00 0.00 H new ATOM 0 HB VAL A 52 12.933 23.714 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.908 22.034 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.771 23.100 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.525 23.340 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.250 22.928 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.864 24.237 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.061 24.625 6.267 1.00 0.00 H new ATOM 882 N VAL A 53 11.095 25.584 4.229 1.00 0.00 N ATOM 883 CA VAL A 53 9.751 25.641 3.613 1.00 0.00 C ATOM 884 C VAL A 53 9.579 26.947 2.847 1.00 0.00 C ATOM 885 O VAL A 53 8.916 26.992 1.839 1.00 0.00 O ATOM 886 CB VAL A 53 8.708 25.536 4.714 1.00 0.00 C ATOM 887 CG1 VAL A 53 7.316 25.500 4.093 1.00 0.00 C ATOM 888 CG2 VAL A 53 8.955 24.253 5.519 1.00 0.00 C ATOM 0 H VAL A 53 11.103 25.617 5.248 1.00 0.00 H new ATOM 0 HA VAL A 53 9.631 24.816 2.911 1.00 0.00 H new ATOM 0 HB VAL A 53 8.780 26.399 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.568 25.425 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.149 26.412 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.235 24.637 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.210 24.171 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.879 23.389 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.951 24.286 5.960 1.00 0.00 H new ATOM 898 N ASP A 54 10.160 28.009 3.325 1.00 0.00 N ATOM 899 CA ASP A 54 10.034 29.315 2.625 1.00 0.00 C ATOM 900 C ASP A 54 10.742 29.238 1.271 1.00 0.00 C ATOM 901 O ASP A 54 10.295 29.777 0.280 1.00 0.00 O ATOM 902 CB ASP A 54 10.663 30.420 3.476 1.00 0.00 C ATOM 903 CG ASP A 54 9.797 30.666 4.713 1.00 0.00 C ATOM 904 OD1 ASP A 54 8.655 30.237 4.707 1.00 0.00 O ATOM 905 OD2 ASP A 54 10.292 31.275 5.648 1.00 0.00 O ATOM 0 H ASP A 54 10.721 28.029 4.177 1.00 0.00 H new ATOM 0 HA ASP A 54 8.979 29.542 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.671 30.134 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.752 31.337 2.893 1.00 0.00 H new ATOM 910 N LYS A 55 11.853 28.571 1.235 1.00 0.00 N ATOM 911 CA LYS A 55 12.615 28.436 -0.039 1.00 0.00 C ATOM 912 C LYS A 55 11.827 27.528 -0.979 1.00 0.00 C ATOM 913 O LYS A 55 11.729 27.762 -2.170 1.00 0.00 O ATOM 914 CB LYS A 55 14.000 27.846 0.252 1.00 0.00 C ATOM 915 CG LYS A 55 14.874 27.934 -1.001 1.00 0.00 C ATOM 916 CD LYS A 55 16.326 27.612 -0.637 1.00 0.00 C ATOM 917 CE LYS A 55 17.217 27.782 -1.871 1.00 0.00 C ATOM 918 NZ LYS A 55 16.947 26.683 -2.840 1.00 0.00 N ATOM 0 H LYS A 55 12.275 28.107 2.039 1.00 0.00 H new ATOM 0 HA LYS A 55 12.751 29.410 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.470 28.386 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.904 26.807 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.515 27.236 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.809 28.933 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.665 28.271 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.399 26.591 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.026 28.748 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 55 18.267 27.772 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.834 26.183 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.265 26.016 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.554 27.082 -3.716 1.00 0.00 H new ATOM 932 N VAL A 56 11.241 26.505 -0.430 1.00 0.00 N ATOM 933 CA VAL A 56 10.422 25.572 -1.246 1.00 0.00 C ATOM 934 C VAL A 56 9.225 26.355 -1.759 1.00 0.00 C ATOM 935 O VAL A 56 8.698 26.104 -2.825 1.00 0.00 O ATOM 936 CB VAL A 56 9.956 24.399 -0.365 1.00 0.00 C ATOM 937 CG1 VAL A 56 8.787 23.666 -1.028 1.00 0.00 C ATOM 938 CG2 VAL A 56 11.112 23.414 -0.159 1.00 0.00 C ATOM 0 H VAL A 56 11.295 26.273 0.562 1.00 0.00 H new ATOM 0 HA VAL A 56 10.995 25.167 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 56 9.632 24.796 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.469 22.839 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.956 24.357 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.103 23.279 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.777 22.586 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.440 23.031 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.942 23.924 0.330 1.00 0.00 H new ATOM 948 N MET A 57 8.807 27.316 -0.994 1.00 0.00 N ATOM 949 CA MET A 57 7.654 28.150 -1.403 1.00 0.00 C ATOM 950 C MET A 57 8.073 28.967 -2.619 1.00 0.00 C ATOM 951 O MET A 57 7.283 29.260 -3.476 1.00 0.00 O ATOM 952 CB MET A 57 7.250 29.068 -0.229 1.00 0.00 C ATOM 953 CG MET A 57 6.039 28.499 0.561 1.00 0.00 C ATOM 954 SD MET A 57 4.545 29.428 0.086 1.00 0.00 S ATOM 955 CE MET A 57 3.329 28.086 0.017 1.00 0.00 C ATOM 0 H MET A 57 9.219 27.561 -0.094 1.00 0.00 H new ATOM 0 HA MET A 57 6.793 27.533 -1.662 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.098 29.190 0.445 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.001 30.058 -0.611 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.910 27.439 0.343 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.213 28.585 1.634 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.750 28.166 -0.903 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.845 27.126 0.039 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.659 28.157 0.874 1.00 0.00 H new ATOM 965 N GLU A 58 9.315 29.319 -2.731 1.00 0.00 N ATOM 966 CA GLU A 58 9.716 30.091 -3.928 1.00 0.00 C ATOM 967 C GLU A 58 9.388 29.222 -5.143 1.00 0.00 C ATOM 968 O GLU A 58 8.898 29.695 -6.149 1.00 0.00 O ATOM 969 CB GLU A 58 11.216 30.398 -3.875 1.00 0.00 C ATOM 970 CG GLU A 58 11.612 31.234 -5.093 1.00 0.00 C ATOM 971 CD GLU A 58 13.109 31.546 -5.033 1.00 0.00 C ATOM 972 OE1 GLU A 58 13.722 31.221 -4.030 1.00 0.00 O ATOM 973 OE2 GLU A 58 13.616 32.105 -5.992 1.00 0.00 O ATOM 0 H GLU A 58 10.056 29.112 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 58 9.188 31.043 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.455 30.937 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.787 29.470 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.379 30.693 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.037 32.160 -5.114 1.00 0.00 H new ATOM 980 N THR A 59 9.635 27.943 -5.037 1.00 0.00 N ATOM 981 CA THR A 59 9.320 27.016 -6.162 1.00 0.00 C ATOM 982 C THR A 59 7.829 26.631 -6.166 1.00 0.00 C ATOM 983 O THR A 59 7.217 26.518 -7.209 1.00 0.00 O ATOM 984 CB THR A 59 10.165 25.745 -6.017 1.00 0.00 C ATOM 985 OG1 THR A 59 11.542 26.082 -6.100 1.00 0.00 O ATOM 986 CG2 THR A 59 9.814 24.750 -7.125 1.00 0.00 C ATOM 0 H THR A 59 10.044 27.499 -4.215 1.00 0.00 H new ATOM 0 HA THR A 59 9.548 27.523 -7.100 1.00 0.00 H new ATOM 0 HB THR A 59 9.957 25.287 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.084 25.271 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.420 23.851 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.758 24.487 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.013 25.202 -8.097 1.00 0.00 H new ATOM 994 N LEU A 60 7.247 26.395 -5.015 1.00 0.00 N ATOM 995 CA LEU A 60 5.809 25.978 -4.967 1.00 0.00 C ATOM 996 C LEU A 60 4.890 27.202 -4.906 1.00 0.00 C ATOM 997 O LEU A 60 3.721 27.115 -5.223 1.00 0.00 O ATOM 998 CB LEU A 60 5.577 25.098 -3.716 1.00 0.00 C ATOM 999 CG LEU A 60 5.764 23.606 -4.054 1.00 0.00 C ATOM 1000 CD1 LEU A 60 5.745 22.785 -2.747 1.00 0.00 C ATOM 1001 CD2 LEU A 60 4.639 23.126 -5.015 1.00 0.00 C ATOM 0 H LEU A 60 7.705 26.473 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 60 5.576 25.415 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.273 25.387 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.571 25.265 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 60 6.722 23.463 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.877 21.728 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.554 23.117 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.790 22.929 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.783 22.070 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.669 23.264 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.675 23.707 -5.937 1.00 0.00 H new ATOM 1013 N ASP A 61 5.389 28.337 -4.513 1.00 0.00 N ATOM 1014 CA ASP A 61 4.501 29.536 -4.456 1.00 0.00 C ATOM 1015 C ASP A 61 4.415 30.116 -5.856 1.00 0.00 C ATOM 1016 O ASP A 61 4.804 31.238 -6.112 1.00 0.00 O ATOM 1017 CB ASP A 61 5.054 30.586 -3.489 1.00 0.00 C ATOM 1018 CG ASP A 61 3.972 31.625 -3.202 1.00 0.00 C ATOM 1019 OD1 ASP A 61 2.901 31.513 -3.781 1.00 0.00 O ATOM 1020 OD2 ASP A 61 4.234 32.518 -2.414 1.00 0.00 O ATOM 0 H ASP A 61 6.357 28.490 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 61 3.514 29.245 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.374 30.111 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.932 31.067 -3.920 1.00 0.00 H new ATOM 1025 N GLU A 62 3.924 29.334 -6.767 1.00 0.00 N ATOM 1026 CA GLU A 62 3.816 29.793 -8.173 1.00 0.00 C ATOM 1027 C GLU A 62 2.924 31.031 -8.240 1.00 0.00 C ATOM 1028 O GLU A 62 3.198 31.968 -8.964 1.00 0.00 O ATOM 1029 CB GLU A 62 3.199 28.673 -9.003 1.00 0.00 C ATOM 1030 CG GLU A 62 4.047 27.408 -8.842 1.00 0.00 C ATOM 1031 CD GLU A 62 3.539 26.328 -9.797 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.617 26.612 -10.544 1.00 0.00 O ATOM 1033 OE2 GLU A 62 4.079 25.234 -9.764 1.00 0.00 O ATOM 0 H GLU A 62 3.589 28.386 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 62 4.803 30.045 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.176 28.484 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.152 28.964 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.094 27.630 -9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.996 27.052 -7.813 1.00 0.00 H new ATOM 1040 N ASP A 63 1.863 31.049 -7.484 1.00 0.00 N ATOM 1041 CA ASP A 63 0.962 32.233 -7.503 1.00 0.00 C ATOM 1042 C ASP A 63 1.624 33.354 -6.707 1.00 0.00 C ATOM 1043 O ASP A 63 1.203 34.494 -6.745 1.00 0.00 O ATOM 1044 CB ASP A 63 -0.374 31.874 -6.851 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.029 30.730 -7.622 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -1.122 30.834 -8.834 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -1.422 29.767 -6.986 1.00 0.00 O ATOM 0 H ASP A 63 1.581 30.297 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 63 0.785 32.549 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.217 31.583 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.031 32.743 -6.842 1.00 0.00 H new ATOM 1052 N GLY A 64 2.667 33.036 -5.990 1.00 0.00 N ATOM 1053 CA GLY A 64 3.368 34.083 -5.194 1.00 0.00 C ATOM 1054 C GLY A 64 2.453 34.582 -4.074 1.00 0.00 C ATOM 1055 O GLY A 64 2.519 35.731 -3.683 1.00 0.00 O ATOM 0 H GLY A 64 3.063 32.099 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.287 33.677 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.654 34.913 -5.840 1.00 0.00 H new ATOM 1059 N ASP A 65 1.593 33.735 -3.556 1.00 0.00 N ATOM 1060 CA ASP A 65 0.665 34.170 -2.462 1.00 0.00 C ATOM 1061 C ASP A 65 1.127 33.572 -1.137 1.00 0.00 C ATOM 1062 O ASP A 65 0.488 33.728 -0.116 1.00 0.00 O ATOM 1063 CB ASP A 65 -0.748 33.677 -2.777 1.00 0.00 C ATOM 1064 CG ASP A 65 -0.753 32.150 -2.857 1.00 0.00 C ATOM 1065 OD1 ASP A 65 0.321 31.571 -2.835 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -1.831 31.585 -2.935 1.00 0.00 O ATOM 0 H ASP A 65 1.494 32.761 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 65 0.667 35.258 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.441 34.013 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.090 34.102 -3.721 1.00 0.00 H new ATOM 1071 N GLY A 66 2.224 32.872 -1.149 1.00 0.00 N ATOM 1072 CA GLY A 66 2.717 32.246 0.106 1.00 0.00 C ATOM 1073 C GLY A 66 1.899 30.982 0.357 1.00 0.00 C ATOM 1074 O GLY A 66 2.012 30.342 1.383 1.00 0.00 O ATOM 0 H GLY A 66 2.801 32.706 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.776 32.003 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.615 32.938 0.942 1.00 0.00 H new ATOM 1078 N GLU A 67 1.063 30.629 -0.585 1.00 0.00 N ATOM 1079 CA GLU A 67 0.205 29.419 -0.440 1.00 0.00 C ATOM 1080 C GLU A 67 0.175 28.664 -1.774 1.00 0.00 C ATOM 1081 O GLU A 67 -0.104 29.238 -2.808 1.00 0.00 O ATOM 1082 CB GLU A 67 -1.216 29.868 -0.092 1.00 0.00 C ATOM 1083 CG GLU A 67 -1.170 30.857 1.075 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.590 31.304 1.420 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -3.489 30.994 0.656 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -2.756 31.947 2.443 1.00 0.00 O ATOM 0 H GLU A 67 0.938 31.137 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 67 0.599 28.771 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.684 30.335 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.826 29.005 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.703 30.391 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.560 31.720 0.810 1.00 0.00 H new ATOM 1093 N CYS A 68 0.437 27.380 -1.763 1.00 0.00 N ATOM 1094 CA CYS A 68 0.397 26.589 -3.038 1.00 0.00 C ATOM 1095 C CYS A 68 -0.973 25.915 -3.136 1.00 0.00 C ATOM 1096 O CYS A 68 -1.419 25.259 -2.224 1.00 0.00 O ATOM 1097 CB CYS A 68 1.529 25.543 -3.048 1.00 0.00 C ATOM 1098 SG CYS A 68 2.012 25.159 -1.346 1.00 0.00 S ATOM 0 H CYS A 68 0.677 26.844 -0.929 1.00 0.00 H new ATOM 0 HA CYS A 68 0.545 27.243 -3.898 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.197 24.638 -3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.386 25.924 -3.603 1.00 0.00 H new ATOM 0 HG CYS A 68 2.965 24.275 -1.354 1.00 0.00 H new ATOM 1104 N ASP A 69 -1.650 26.105 -4.229 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.013 25.523 -4.392 1.00 0.00 C ATOM 1106 C ASP A 69 -2.933 24.033 -4.722 1.00 0.00 C ATOM 1107 O ASP A 69 -1.878 23.501 -5.007 1.00 0.00 O ATOM 1108 CB ASP A 69 -3.730 26.249 -5.532 1.00 0.00 C ATOM 1109 CG ASP A 69 -3.987 27.702 -5.130 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -3.829 28.009 -3.960 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -4.326 28.486 -6.001 1.00 0.00 O ATOM 0 H ASP A 69 -1.316 26.645 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.560 25.644 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.125 26.213 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.673 25.751 -5.758 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.061 23.360 -4.683 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.108 21.905 -4.988 1.00 0.00 C ATOM 1118 C PHE A 70 -3.207 21.612 -6.183 1.00 0.00 C ATOM 1119 O PHE A 70 -2.485 20.648 -6.196 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.556 21.534 -5.344 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.768 20.046 -5.185 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -5.219 19.148 -6.110 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.512 19.565 -4.102 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -5.417 17.772 -5.949 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.708 18.192 -3.941 1.00 0.00 C ATOM 1126 CZ PHE A 70 -6.162 17.295 -4.863 1.00 0.00 C ATOM 0 H PHE A 70 -4.964 23.772 -4.447 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.769 21.327 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.247 22.078 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.774 21.832 -6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.644 19.517 -6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.935 20.257 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.996 17.078 -6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.282 17.823 -3.104 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.315 16.233 -4.738 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.251 22.447 -7.180 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.395 22.231 -8.381 1.00 0.00 C ATOM 1138 C GLN A 71 -0.915 22.371 -8.019 1.00 0.00 C ATOM 1139 O GLN A 71 -0.101 21.535 -8.356 1.00 0.00 O ATOM 1140 CB GLN A 71 -2.760 23.278 -9.446 1.00 0.00 C ATOM 1141 CG GLN A 71 -1.738 23.246 -10.589 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.240 24.100 -11.756 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.361 24.569 -11.744 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -1.451 24.321 -12.772 1.00 0.00 N ATOM 0 H GLN A 71 -3.846 23.275 -7.217 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.566 21.225 -8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.759 23.079 -9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.784 24.271 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.776 23.620 -10.240 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.580 22.219 -10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.510 23.927 -12.782 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.775 24.887 -13.556 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.558 23.440 -7.372 1.00 0.00 N ATOM 1154 CA GLU A 72 0.873 23.659 -7.026 1.00 0.00 C ATOM 1155 C GLU A 72 1.408 22.534 -6.142 1.00 0.00 C ATOM 1156 O GLU A 72 2.508 22.053 -6.337 1.00 0.00 O ATOM 1157 CB GLU A 72 1.001 24.999 -6.302 1.00 0.00 C ATOM 1158 CG GLU A 72 0.831 26.145 -7.299 1.00 0.00 C ATOM 1159 CD GLU A 72 0.820 27.476 -6.545 1.00 0.00 C ATOM 1160 OE1 GLU A 72 -0.252 27.897 -6.142 1.00 0.00 O ATOM 1161 OE2 GLU A 72 1.883 28.051 -6.379 1.00 0.00 O ATOM 0 H GLU A 72 -1.196 24.175 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 72 1.463 23.667 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.248 25.072 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.974 25.069 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.643 26.133 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.098 26.022 -7.856 1.00 0.00 H new ATOM 1168 N PHE A 73 0.649 22.098 -5.185 1.00 0.00 N ATOM 1169 CA PHE A 73 1.134 20.998 -4.313 1.00 0.00 C ATOM 1170 C PHE A 73 1.259 19.720 -5.136 1.00 0.00 C ATOM 1171 O PHE A 73 2.140 18.914 -4.923 1.00 0.00 O ATOM 1172 CB PHE A 73 0.143 20.757 -3.173 1.00 0.00 C ATOM 1173 CG PHE A 73 0.613 19.573 -2.360 1.00 0.00 C ATOM 1174 CD1 PHE A 73 0.216 18.281 -2.724 1.00 0.00 C ATOM 1175 CD2 PHE A 73 1.456 19.763 -1.260 1.00 0.00 C ATOM 1176 CE1 PHE A 73 0.658 17.178 -1.985 1.00 0.00 C ATOM 1177 CE2 PHE A 73 1.900 18.660 -0.521 1.00 0.00 C ATOM 1178 CZ PHE A 73 1.501 17.367 -0.884 1.00 0.00 C ATOM 0 H PHE A 73 -0.282 22.452 -4.967 1.00 0.00 H new ATOM 0 HA PHE A 73 2.103 21.275 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.071 21.643 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.853 20.568 -3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.432 18.135 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.764 20.760 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.349 16.182 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.550 18.806 0.329 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.844 16.516 -0.314 1.00 0.00 H new ATOM 1188 N MET A 74 0.353 19.525 -6.049 1.00 0.00 N ATOM 1189 CA MET A 74 0.357 18.289 -6.879 1.00 0.00 C ATOM 1190 C MET A 74 1.658 18.169 -7.675 1.00 0.00 C ATOM 1191 O MET A 74 2.195 17.090 -7.859 1.00 0.00 O ATOM 1192 CB MET A 74 -0.850 18.317 -7.841 1.00 0.00 C ATOM 1193 CG MET A 74 -1.378 16.898 -8.066 1.00 0.00 C ATOM 1194 SD MET A 74 -0.061 15.867 -8.757 1.00 0.00 S ATOM 1195 CE MET A 74 -0.589 14.288 -8.046 1.00 0.00 C ATOM 0 H MET A 74 -0.402 20.178 -6.259 1.00 0.00 H new ATOM 0 HA MET A 74 0.283 17.424 -6.220 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.639 18.946 -7.428 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.556 18.759 -8.793 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.729 16.476 -7.125 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.231 16.919 -8.744 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.490 13.501 -8.794 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.035 14.050 -7.184 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.630 14.361 -7.731 1.00 0.00 H new ATOM 1205 N ALA A 75 2.146 19.253 -8.194 1.00 0.00 N ATOM 1206 CA ALA A 75 3.380 19.167 -9.018 1.00 0.00 C ATOM 1207 C ALA A 75 4.602 18.843 -8.161 1.00 0.00 C ATOM 1208 O ALA A 75 5.526 18.195 -8.611 1.00 0.00 O ATOM 1209 CB ALA A 75 3.601 20.488 -9.756 1.00 0.00 C ATOM 0 H ALA A 75 1.751 20.187 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 75 3.250 18.359 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.507 20.421 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.748 20.690 -10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.706 21.296 -9.032 1.00 0.00 H new ATOM 1215 N PHE A 76 4.628 19.284 -6.944 1.00 0.00 N ATOM 1216 CA PHE A 76 5.811 18.991 -6.082 1.00 0.00 C ATOM 1217 C PHE A 76 5.895 17.497 -5.800 1.00 0.00 C ATOM 1218 O PHE A 76 6.961 16.933 -5.722 1.00 0.00 O ATOM 1219 CB PHE A 76 5.701 19.788 -4.782 1.00 0.00 C ATOM 1220 CG PHE A 76 6.739 19.329 -3.784 1.00 0.00 C ATOM 1221 CD1 PHE A 76 8.018 19.898 -3.786 1.00 0.00 C ATOM 1222 CD2 PHE A 76 6.416 18.337 -2.850 1.00 0.00 C ATOM 1223 CE1 PHE A 76 8.974 19.475 -2.855 1.00 0.00 C ATOM 1224 CE2 PHE A 76 7.371 17.915 -1.918 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.650 18.484 -1.920 1.00 0.00 C ATOM 0 H PHE A 76 3.890 19.832 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 76 6.724 19.288 -6.599 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.833 20.850 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.704 19.667 -4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.267 20.663 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.430 17.897 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.961 19.913 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.121 17.150 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.387 18.159 -1.201 1.00 0.00 H new ATOM 1235 N VAL A 77 4.783 16.861 -5.637 1.00 0.00 N ATOM 1236 CA VAL A 77 4.786 15.397 -5.350 1.00 0.00 C ATOM 1237 C VAL A 77 5.433 14.643 -6.512 1.00 0.00 C ATOM 1238 O VAL A 77 6.156 13.692 -6.313 1.00 0.00 O ATOM 1239 CB VAL A 77 3.336 14.903 -5.149 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.286 13.810 -4.076 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.464 16.080 -4.725 1.00 0.00 C ATOM 0 H VAL A 77 3.858 17.288 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 77 5.358 15.211 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 77 2.967 14.485 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.257 13.473 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.907 12.969 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.658 14.209 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.439 15.740 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.843 16.496 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.486 16.847 -5.499 1.00 0.00 H new ATOM 1251 N SER A 78 5.162 15.043 -7.724 1.00 0.00 N ATOM 1252 CA SER A 78 5.762 14.314 -8.882 1.00 0.00 C ATOM 1253 C SER A 78 7.279 14.508 -8.877 1.00 0.00 C ATOM 1254 O SER A 78 8.035 13.603 -9.168 1.00 0.00 O ATOM 1255 CB SER A 78 5.163 14.847 -10.200 1.00 0.00 C ATOM 1256 OG SER A 78 4.576 16.119 -9.964 1.00 0.00 O ATOM 0 H SER A 78 4.560 15.831 -7.963 1.00 0.00 H new ATOM 0 HA SER A 78 5.538 13.251 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.940 14.927 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.414 14.152 -10.581 1.00 0.00 H new ATOM 0 HG SER A 78 5.250 16.727 -9.596 1.00 0.00 H new ATOM 1262 N MET A 79 7.720 15.687 -8.568 1.00 0.00 N ATOM 1263 CA MET A 79 9.179 15.964 -8.562 1.00 0.00 C ATOM 1264 C MET A 79 9.896 15.137 -7.487 1.00 0.00 C ATOM 1265 O MET A 79 10.975 14.618 -7.707 1.00 0.00 O ATOM 1266 CB MET A 79 9.375 17.451 -8.280 1.00 0.00 C ATOM 1267 CG MET A 79 8.916 18.281 -9.485 1.00 0.00 C ATOM 1268 SD MET A 79 8.631 20.000 -8.978 1.00 0.00 S ATOM 1269 CE MET A 79 10.099 20.212 -7.939 1.00 0.00 C ATOM 0 H MET A 79 7.129 16.479 -8.317 1.00 0.00 H new ATOM 0 HA MET A 79 9.603 15.691 -9.528 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.809 17.739 -7.394 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.425 17.654 -8.068 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.670 18.245 -10.271 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.001 17.859 -9.901 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.288 21.275 -7.788 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.934 19.732 -6.974 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.960 19.757 -8.428 1.00 0.00 H new ATOM 1279 N VAL A 80 9.313 15.006 -6.329 1.00 0.00 N ATOM 1280 CA VAL A 80 9.972 14.214 -5.250 1.00 0.00 C ATOM 1281 C VAL A 80 9.962 12.739 -5.629 1.00 0.00 C ATOM 1282 O VAL A 80 10.872 11.996 -5.319 1.00 0.00 O ATOM 1283 CB VAL A 80 9.233 14.400 -3.925 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.907 13.539 -2.851 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.287 15.873 -3.510 1.00 0.00 C ATOM 0 H VAL A 80 8.410 15.412 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 80 10.998 14.562 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 80 8.192 14.098 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.385 13.666 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.869 12.491 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.947 13.847 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.760 16.004 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.326 16.180 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.814 16.485 -4.278 1.00 0.00 H new ATOM 1295 N THR A 81 8.936 12.312 -6.303 1.00 0.00 N ATOM 1296 CA THR A 81 8.853 10.888 -6.717 1.00 0.00 C ATOM 1297 C THR A 81 10.054 10.601 -7.595 1.00 0.00 C ATOM 1298 O THR A 81 10.675 9.561 -7.520 1.00 0.00 O ATOM 1299 CB THR A 81 7.576 10.654 -7.521 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.449 10.977 -6.722 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.497 9.185 -7.945 1.00 0.00 C ATOM 0 H THR A 81 8.146 12.892 -6.587 1.00 0.00 H new ATOM 0 HA THR A 81 8.840 10.237 -5.843 1.00 0.00 H new ATOM 0 HB THR A 81 7.587 11.286 -8.409 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.387 11.950 -6.622 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.585 9.020 -8.519 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.362 8.937 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.488 8.551 -7.059 1.00 0.00 H new ATOM 1309 N THR A 82 10.380 11.538 -8.428 1.00 0.00 N ATOM 1310 CA THR A 82 11.537 11.372 -9.330 1.00 0.00 C ATOM 1311 C THR A 82 12.759 11.017 -8.472 1.00 0.00 C ATOM 1312 O THR A 82 13.545 10.153 -8.814 1.00 0.00 O ATOM 1313 CB THR A 82 11.742 12.711 -10.073 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.540 13.463 -9.995 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.068 12.459 -11.543 1.00 0.00 C ATOM 0 H THR A 82 9.885 12.425 -8.522 1.00 0.00 H new ATOM 0 HA THR A 82 11.383 10.578 -10.061 1.00 0.00 H new ATOM 0 HB THR A 82 12.568 13.253 -9.612 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.457 14.031 -10.789 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.210 13.412 -12.053 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.981 11.869 -11.617 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.246 11.916 -12.010 1.00 0.00 H new ATOM 1323 N ALA A 83 12.900 11.650 -7.340 1.00 0.00 N ATOM 1324 CA ALA A 83 14.041 11.317 -6.445 1.00 0.00 C ATOM 1325 C ALA A 83 13.934 9.846 -6.047 1.00 0.00 C ATOM 1326 O ALA A 83 14.912 9.138 -5.981 1.00 0.00 O ATOM 1327 CB ALA A 83 13.993 12.193 -5.191 1.00 0.00 C ATOM 0 H ALA A 83 12.276 12.381 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 83 14.982 11.498 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.831 11.944 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.056 13.243 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.057 12.018 -4.660 1.00 0.00 H new ATOM 1333 N CYS A 84 12.749 9.379 -5.786 1.00 0.00 N ATOM 1334 CA CYS A 84 12.585 7.952 -5.398 1.00 0.00 C ATOM 1335 C CYS A 84 13.100 7.058 -6.531 1.00 0.00 C ATOM 1336 O CYS A 84 13.595 5.974 -6.295 1.00 0.00 O ATOM 1337 CB CYS A 84 11.108 7.653 -5.136 1.00 0.00 C ATOM 1338 SG CYS A 84 10.941 5.979 -4.466 1.00 0.00 S ATOM 0 H CYS A 84 11.886 9.922 -5.824 1.00 0.00 H new ATOM 0 HA CYS A 84 13.154 7.755 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.698 8.380 -4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.538 7.745 -6.060 1.00 0.00 H new ATOM 0 HG CYS A 84 11.930 5.245 -4.881 1.00 0.00 H new ATOM 1344 N HIS A 85 12.989 7.496 -7.761 1.00 0.00 N ATOM 1345 CA HIS A 85 13.477 6.649 -8.886 1.00 0.00 C ATOM 1346 C HIS A 85 14.972 6.379 -8.722 1.00 0.00 C ATOM 1347 O HIS A 85 15.410 5.250 -8.804 1.00 0.00 O ATOM 1348 CB HIS A 85 13.244 7.362 -10.220 1.00 0.00 C ATOM 1349 CG HIS A 85 13.751 6.496 -11.342 1.00 0.00 C ATOM 1350 ND1 HIS A 85 13.308 5.302 -11.855 1.00 0.00 N flip ATOM 1351 CD2 HIS A 85 14.881 6.828 -12.080 1.00 0.00 C flip ATOM 1352 CE1 HIS A 85 14.145 4.902 -12.891 1.00 0.00 C flip ATOM 1353 NE2 HIS A 85 15.076 5.852 -12.986 1.00 0.00 N flip ATOM 0 H HIS A 85 12.586 8.393 -8.030 1.00 0.00 H new ATOM 0 HA HIS A 85 12.929 5.707 -8.876 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.182 7.567 -10.355 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.758 8.323 -10.226 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.492 7.709 -11.950 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.059 4.009 -13.493 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.841 5.840 -13.661 1.00 0.00 H new ATOM 1362 N GLU A 86 15.766 7.389 -8.487 1.00 0.00 N ATOM 1363 CA GLU A 86 17.227 7.134 -8.324 1.00 0.00 C ATOM 1364 C GLU A 86 17.435 6.227 -7.103 1.00 0.00 C ATOM 1365 O GLU A 86 18.317 5.391 -7.075 1.00 0.00 O ATOM 1366 CB GLU A 86 17.992 8.471 -8.179 1.00 0.00 C ATOM 1367 CG GLU A 86 18.048 8.938 -6.712 1.00 0.00 C ATOM 1368 CD GLU A 86 19.213 8.254 -5.990 1.00 0.00 C ATOM 1369 OE1 GLU A 86 20.346 8.507 -6.365 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.950 7.489 -5.077 1.00 0.00 O ATOM 0 H GLU A 86 15.474 8.363 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 86 17.622 6.631 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.005 8.354 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.507 9.236 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.169 10.021 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.109 8.702 -6.210 1.00 0.00 H new ATOM 1377 N PHE A 87 16.619 6.391 -6.100 1.00 0.00 N ATOM 1378 CA PHE A 87 16.738 5.554 -4.874 1.00 0.00 C ATOM 1379 C PHE A 87 16.080 4.192 -5.112 1.00 0.00 C ATOM 1380 O PHE A 87 16.366 3.227 -4.432 1.00 0.00 O ATOM 1381 CB PHE A 87 16.052 6.270 -3.709 1.00 0.00 C ATOM 1382 CG PHE A 87 16.165 5.433 -2.457 1.00 0.00 C ATOM 1383 CD1 PHE A 87 17.261 5.593 -1.601 1.00 0.00 C ATOM 1384 CD2 PHE A 87 15.172 4.494 -2.155 1.00 0.00 C ATOM 1385 CE1 PHE A 87 17.363 4.815 -0.442 1.00 0.00 C ATOM 1386 CE2 PHE A 87 15.273 3.716 -0.995 1.00 0.00 C ATOM 1387 CZ PHE A 87 16.369 3.877 -0.139 1.00 0.00 C ATOM 0 H PHE A 87 15.865 7.078 -6.077 1.00 0.00 H new ATOM 0 HA PHE A 87 17.790 5.400 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.511 7.245 -3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.003 6.447 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.028 6.317 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.328 4.369 -2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 87 18.209 4.938 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 87 14.506 2.992 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.448 3.277 0.756 1.00 0.00 H new ATOM 1397 N PHE A 88 15.195 4.108 -6.069 1.00 0.00 N ATOM 1398 CA PHE A 88 14.514 2.816 -6.346 1.00 0.00 C ATOM 1399 C PHE A 88 15.433 1.941 -7.199 1.00 0.00 C ATOM 1400 O PHE A 88 15.158 0.781 -7.433 1.00 0.00 O ATOM 1401 CB PHE A 88 13.208 3.079 -7.105 1.00 0.00 C ATOM 1402 CG PHE A 88 12.413 1.798 -7.207 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.671 0.902 -8.251 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.421 1.505 -6.260 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.942 -0.289 -8.349 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.691 0.313 -6.361 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.953 -0.584 -7.404 1.00 0.00 C ATOM 0 H PHE A 88 14.915 4.882 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 88 14.289 2.309 -5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.624 3.841 -6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.426 3.464 -8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.433 1.130 -8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.220 2.196 -5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.143 -0.980 -9.154 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.926 0.086 -5.634 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.392 -1.504 -7.479 1.00 0.00 H new ATOM 1464 N MET B 0 -3.547 7.562 3.675 1.00 0.00 N ATOM 1465 CA MET B 0 -3.054 7.854 5.052 1.00 0.00 C ATOM 1466 C MET B 0 -1.528 7.726 5.075 1.00 0.00 C ATOM 1467 O MET B 0 -0.990 6.691 5.414 1.00 0.00 O ATOM 1468 CB MET B 0 -3.672 6.851 6.036 1.00 0.00 C ATOM 1469 CG MET B 0 -3.184 7.134 7.464 1.00 0.00 C ATOM 1470 SD MET B 0 -3.736 8.778 7.986 1.00 0.00 S ATOM 1471 CE MET B 0 -3.958 8.398 9.743 1.00 0.00 C ATOM 0 H1 MET B 0 -4.563 7.778 3.617 1.00 0.00 H new ATOM 0 H2 MET B 0 -3.029 8.148 2.989 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.394 6.557 3.457 1.00 0.00 H new ATOM 0 HA MET B 0 -3.339 8.865 5.342 1.00 0.00 H new ATOM 0 HB2 MET B 0 -4.759 6.916 5.997 1.00 0.00 H new ATOM 0 HB3 MET B 0 -3.403 5.835 5.747 1.00 0.00 H new ATOM 0 HG2 MET B 0 -3.570 6.377 8.147 1.00 0.00 H new ATOM 0 HG3 MET B 0 -2.096 7.075 7.505 1.00 0.00 H new ATOM 0 HE1 MET B 0 -4.302 9.289 10.267 1.00 0.00 H new ATOM 0 HE2 MET B 0 -4.697 7.604 9.853 1.00 0.00 H new ATOM 0 HE3 MET B 0 -3.009 8.071 10.167 1.00 0.00 H new ATOM 1483 N SER B 1 -0.829 8.769 4.720 1.00 0.00 N ATOM 1484 CA SER B 1 0.668 8.706 4.727 1.00 0.00 C ATOM 1485 C SER B 1 1.162 7.581 3.816 1.00 0.00 C ATOM 1486 O SER B 1 2.304 7.171 3.882 1.00 0.00 O ATOM 1487 CB SER B 1 1.165 8.465 6.155 1.00 0.00 C ATOM 1488 OG SER B 1 2.550 8.779 6.231 1.00 0.00 O ATOM 0 H SER B 1 -1.225 9.662 4.425 1.00 0.00 H new ATOM 0 HA SER B 1 1.059 9.654 4.357 1.00 0.00 H new ATOM 0 HB2 SER B 1 0.602 9.080 6.857 1.00 0.00 H new ATOM 0 HB3 SER B 1 1.000 7.426 6.439 1.00 0.00 H new ATOM 0 HG SER B 1 3.013 8.406 5.452 1.00 0.00 H new ATOM 1494 N GLU B 2 0.322 7.099 2.952 1.00 0.00 N ATOM 1495 CA GLU B 2 0.744 6.022 2.014 1.00 0.00 C ATOM 1496 C GLU B 2 1.603 6.640 0.923 1.00 0.00 C ATOM 1497 O GLU B 2 2.032 5.979 0.006 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.494 5.377 1.405 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.196 4.588 2.498 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.543 4.074 1.986 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.511 4.809 2.087 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -2.583 2.954 1.505 1.00 0.00 O ATOM 0 H GLU B 2 -0.646 7.404 2.852 1.00 0.00 H new ATOM 0 HA GLU B 2 1.317 5.259 2.541 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.159 6.138 0.997 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.216 4.721 0.580 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -0.573 3.751 2.811 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -1.347 5.219 3.374 1.00 0.00 H new ATOM 1509 N LEU B 3 1.831 7.917 1.017 1.00 0.00 N ATOM 1510 CA LEU B 3 2.633 8.629 -0.015 1.00 0.00 C ATOM 1511 C LEU B 3 3.863 7.809 -0.403 1.00 0.00 C ATOM 1512 O LEU B 3 4.345 7.903 -1.508 1.00 0.00 O ATOM 1513 CB LEU B 3 3.073 9.990 0.538 1.00 0.00 C ATOM 1514 CG LEU B 3 3.807 10.793 -0.546 1.00 0.00 C ATOM 1515 CD1 LEU B 3 2.849 11.109 -1.710 1.00 0.00 C ATOM 1516 CD2 LEU B 3 4.328 12.100 0.068 1.00 0.00 C ATOM 0 H LEU B 3 1.491 8.507 1.776 1.00 0.00 H new ATOM 0 HA LEU B 3 2.019 8.771 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.203 10.547 0.887 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.726 9.847 1.399 1.00 0.00 H new ATOM 0 HG LEU B 3 4.642 10.207 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.379 11.679 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.482 10.178 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU B 3 2.007 11.694 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.851 12.677 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.490 12.681 0.452 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.014 11.871 0.883 1.00 0.00 H new ATOM 1528 N GLU B 4 4.376 7.007 0.480 1.00 0.00 N ATOM 1529 CA GLU B 4 5.572 6.188 0.106 1.00 0.00 C ATOM 1530 C GLU B 4 5.147 5.154 -0.927 1.00 0.00 C ATOM 1531 O GLU B 4 5.850 4.868 -1.877 1.00 0.00 O ATOM 1532 CB GLU B 4 6.125 5.476 1.348 1.00 0.00 C ATOM 1533 CG GLU B 4 7.371 4.657 0.977 1.00 0.00 C ATOM 1534 CD GLU B 4 6.964 3.333 0.316 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.830 2.921 0.496 1.00 0.00 O ATOM 1536 OE2 GLU B 4 7.798 2.752 -0.360 1.00 0.00 O ATOM 0 H GLU B 4 4.032 6.878 1.431 1.00 0.00 H new ATOM 0 HA GLU B 4 6.348 6.833 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.377 6.209 2.115 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.363 4.822 1.771 1.00 0.00 H new ATOM 0 HG2 GLU B 4 8.002 5.231 0.298 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.962 4.458 1.871 1.00 0.00 H new ATOM 1543 N LYS B 5 3.996 4.596 -0.736 1.00 0.00 N ATOM 1544 CA LYS B 5 3.479 3.572 -1.675 1.00 0.00 C ATOM 1545 C LYS B 5 3.107 4.219 -3.015 1.00 0.00 C ATOM 1546 O LYS B 5 3.295 3.639 -4.061 1.00 0.00 O ATOM 1547 CB LYS B 5 2.254 2.900 -1.027 1.00 0.00 C ATOM 1548 CG LYS B 5 1.393 2.166 -2.083 1.00 0.00 C ATOM 1549 CD LYS B 5 0.257 3.093 -2.580 1.00 0.00 C ATOM 1550 CE LYS B 5 -0.991 2.928 -1.706 1.00 0.00 C ATOM 1551 NZ LYS B 5 -1.768 1.745 -2.175 1.00 0.00 N ATOM 0 H LYS B 5 3.377 4.809 0.046 1.00 0.00 H new ATOM 0 HA LYS B 5 4.244 2.822 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.584 2.192 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.649 3.652 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.017 1.859 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.970 1.258 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS B 5 0.590 4.131 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS B 5 0.016 2.859 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -0.704 2.798 -0.663 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.607 3.826 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.539 1.548 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.167 1.942 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -1.140 0.918 -2.232 1.00 0.00 H new ATOM 1565 N ALA B 6 2.543 5.393 -2.985 1.00 0.00 N ATOM 1566 CA ALA B 6 2.119 6.061 -4.246 1.00 0.00 C ATOM 1567 C ALA B 6 3.324 6.460 -5.091 1.00 0.00 C ATOM 1568 O ALA B 6 3.306 6.345 -6.297 1.00 0.00 O ATOM 1569 CB ALA B 6 1.291 7.304 -3.904 1.00 0.00 C ATOM 0 H ALA B 6 2.356 5.923 -2.134 1.00 0.00 H new ATOM 0 HA ALA B 6 1.519 5.360 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.978 7.797 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.411 7.009 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.895 7.991 -3.311 1.00 0.00 H new ATOM 1575 N MET B 7 4.363 6.938 -4.481 1.00 0.00 N ATOM 1576 CA MET B 7 5.552 7.347 -5.272 1.00 0.00 C ATOM 1577 C MET B 7 6.185 6.122 -5.918 1.00 0.00 C ATOM 1578 O MET B 7 6.624 6.153 -7.051 1.00 0.00 O ATOM 1579 CB MET B 7 6.567 8.031 -4.353 1.00 0.00 C ATOM 1580 CG MET B 7 6.025 9.393 -3.915 1.00 0.00 C ATOM 1581 SD MET B 7 7.333 10.321 -3.077 1.00 0.00 S ATOM 1582 CE MET B 7 6.524 11.940 -3.106 1.00 0.00 C ATOM 0 H MET B 7 4.444 7.064 -3.472 1.00 0.00 H new ATOM 0 HA MET B 7 5.245 8.044 -6.052 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.761 7.407 -3.480 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.517 8.156 -4.873 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.667 9.950 -4.781 1.00 0.00 H new ATOM 0 HG3 MET B 7 5.174 9.260 -3.247 1.00 0.00 H new ATOM 0 HE1 MET B 7 7.081 12.637 -2.480 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.496 12.315 -4.129 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.507 11.845 -2.727 1.00 0.00 H new ATOM 1592 N VAL B 8 6.234 5.047 -5.200 1.00 0.00 N ATOM 1593 CA VAL B 8 6.838 3.804 -5.746 1.00 0.00 C ATOM 1594 C VAL B 8 5.992 3.290 -6.914 1.00 0.00 C ATOM 1595 O VAL B 8 6.503 2.780 -7.887 1.00 0.00 O ATOM 1596 CB VAL B 8 6.902 2.743 -4.642 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.302 1.391 -5.242 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.937 3.166 -3.595 1.00 0.00 C ATOM 0 H VAL B 8 5.879 4.971 -4.247 1.00 0.00 H new ATOM 0 HA VAL B 8 7.846 4.014 -6.103 1.00 0.00 H new ATOM 0 HB VAL B 8 5.923 2.649 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.346 0.641 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.565 1.091 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.280 1.478 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.986 2.414 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.915 3.261 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.648 4.124 -3.164 1.00 0.00 H new ATOM 1608 N ALA B 9 4.699 3.386 -6.795 1.00 0.00 N ATOM 1609 CA ALA B 9 3.795 2.869 -7.868 1.00 0.00 C ATOM 1610 C ALA B 9 3.917 3.683 -9.156 1.00 0.00 C ATOM 1611 O ALA B 9 3.892 3.136 -10.240 1.00 0.00 O ATOM 1612 CB ALA B 9 2.353 2.930 -7.382 1.00 0.00 C ATOM 0 H ALA B 9 4.222 3.803 -5.996 1.00 0.00 H new ATOM 0 HA ALA B 9 4.089 1.842 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.690 2.554 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.245 2.318 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.091 3.962 -7.150 1.00 0.00 H new ATOM 1618 N LEU B 10 4.032 4.977 -9.068 1.00 0.00 N ATOM 1619 CA LEU B 10 4.134 5.777 -10.323 1.00 0.00 C ATOM 1620 C LEU B 10 5.367 5.310 -11.077 1.00 0.00 C ATOM 1621 O LEU B 10 5.371 5.185 -12.286 1.00 0.00 O ATOM 1622 CB LEU B 10 4.290 7.266 -9.993 1.00 0.00 C ATOM 1623 CG LEU B 10 2.986 7.828 -9.387 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.294 9.078 -8.550 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.010 8.228 -10.508 1.00 0.00 C ATOM 0 H LEU B 10 4.060 5.510 -8.199 1.00 0.00 H new ATOM 0 HA LEU B 10 3.233 5.641 -10.920 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.113 7.404 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.545 7.819 -10.897 1.00 0.00 H new ATOM 0 HG LEU B 10 2.539 7.056 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.369 9.469 -8.126 1.00 0.00 H new ATOM 0 HD12 LEU B 10 3.981 8.817 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.751 9.837 -9.185 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.094 8.623 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.470 8.991 -11.136 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.774 7.353 -11.114 1.00 0.00 H new ATOM 1637 N ILE B 11 6.413 5.054 -10.358 1.00 0.00 N ATOM 1638 CA ILE B 11 7.668 4.592 -10.990 1.00 0.00 C ATOM 1639 C ILE B 11 7.472 3.203 -11.616 1.00 0.00 C ATOM 1640 O ILE B 11 7.989 2.926 -12.677 1.00 0.00 O ATOM 1641 CB ILE B 11 8.771 4.558 -9.926 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.125 6.003 -9.540 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.008 3.851 -10.486 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.014 6.025 -8.292 1.00 0.00 C ATOM 0 H ILE B 11 6.452 5.147 -9.343 1.00 0.00 H new ATOM 0 HA ILE B 11 7.954 5.278 -11.787 1.00 0.00 H new ATOM 0 HB ILE B 11 8.425 4.014 -9.047 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.639 6.491 -10.368 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.213 6.569 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.790 3.829 -9.727 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.747 2.831 -10.768 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.369 4.389 -11.363 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.254 7.057 -8.034 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.486 5.557 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.935 5.477 -8.492 1.00 0.00 H new ATOM 1656 N ASP B 12 6.756 2.317 -10.968 1.00 0.00 N ATOM 1657 CA ASP B 12 6.575 0.950 -11.549 1.00 0.00 C ATOM 1658 C ASP B 12 5.887 1.016 -12.921 1.00 0.00 C ATOM 1659 O ASP B 12 6.318 0.388 -13.867 1.00 0.00 O ATOM 1660 CB ASP B 12 5.727 0.095 -10.602 1.00 0.00 C ATOM 1661 CG ASP B 12 6.538 -0.247 -9.350 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.753 -0.153 -9.409 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.930 -0.598 -8.352 1.00 0.00 O ATOM 0 H ASP B 12 6.294 2.478 -10.073 1.00 0.00 H new ATOM 0 HA ASP B 12 7.561 0.504 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.821 0.633 -10.324 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.413 -0.820 -11.105 1.00 0.00 H new ATOM 1668 N VAL B 13 4.822 1.762 -13.039 1.00 0.00 N ATOM 1669 CA VAL B 13 4.107 1.851 -14.354 1.00 0.00 C ATOM 1670 C VAL B 13 5.048 2.463 -15.407 1.00 0.00 C ATOM 1671 O VAL B 13 5.090 2.033 -16.550 1.00 0.00 O ATOM 1672 CB VAL B 13 2.803 2.686 -14.161 1.00 0.00 C ATOM 1673 CG1 VAL B 13 2.604 3.708 -15.285 1.00 0.00 C ATOM 1674 CG2 VAL B 13 1.579 1.754 -14.138 1.00 0.00 C ATOM 0 H VAL B 13 4.413 2.315 -12.285 1.00 0.00 H new ATOM 0 HA VAL B 13 3.821 0.862 -14.712 1.00 0.00 H new ATOM 0 HB VAL B 13 2.904 3.218 -13.215 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.685 4.267 -15.110 1.00 0.00 H new ATOM 0 HG12 VAL B 13 3.449 4.396 -15.305 1.00 0.00 H new ATOM 0 HG13 VAL B 13 2.537 3.189 -16.241 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.674 2.346 -14.003 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.519 1.209 -15.080 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.676 1.046 -13.315 1.00 0.00 H new ATOM 1684 N PHE B 14 5.810 3.449 -15.031 1.00 0.00 N ATOM 1685 CA PHE B 14 6.748 4.075 -16.002 1.00 0.00 C ATOM 1686 C PHE B 14 7.717 3.013 -16.514 1.00 0.00 C ATOM 1687 O PHE B 14 8.096 3.026 -17.656 1.00 0.00 O ATOM 1688 CB PHE B 14 7.528 5.207 -15.308 1.00 0.00 C ATOM 1689 CG PHE B 14 8.722 5.626 -16.148 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.898 4.868 -16.108 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.657 6.766 -16.961 1.00 0.00 C ATOM 1692 CE1 PHE B 14 11.004 5.247 -16.876 1.00 0.00 C ATOM 1693 CE2 PHE B 14 9.763 7.145 -17.728 1.00 0.00 C ATOM 1694 CZ PHE B 14 10.937 6.386 -17.686 1.00 0.00 C ATOM 0 H PHE B 14 5.824 3.849 -14.093 1.00 0.00 H new ATOM 0 HA PHE B 14 6.190 4.492 -16.840 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.872 6.062 -15.147 1.00 0.00 H new ATOM 0 HB3 PHE B 14 7.866 4.875 -14.326 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.952 3.989 -15.483 1.00 0.00 H new ATOM 0 HD2 PHE B 14 7.751 7.353 -16.995 1.00 0.00 H new ATOM 0 HE1 PHE B 14 11.910 4.660 -16.844 1.00 0.00 H new ATOM 0 HE2 PHE B 14 9.711 8.024 -18.353 1.00 0.00 H new ATOM 0 HZ PHE B 14 11.791 6.679 -18.278 1.00 0.00 H new ATOM 1704 N HIS B 15 8.136 2.112 -15.675 1.00 0.00 N ATOM 1705 CA HIS B 15 9.099 1.066 -16.119 1.00 0.00 C ATOM 1706 C HIS B 15 8.454 0.109 -17.133 1.00 0.00 C ATOM 1707 O HIS B 15 9.120 -0.394 -18.017 1.00 0.00 O ATOM 1708 CB HIS B 15 9.594 0.275 -14.906 1.00 0.00 C ATOM 1709 CG HIS B 15 10.686 -0.667 -15.333 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.938 -0.217 -15.735 1.00 0.00 N ATOM 1711 CD2 HIS B 15 10.733 -2.036 -15.426 1.00 0.00 C ATOM 1712 CE1 HIS B 15 12.676 -1.299 -16.048 1.00 0.00 C ATOM 1713 NE2 HIS B 15 11.987 -2.428 -15.877 1.00 0.00 N ATOM 0 H HIS B 15 7.853 2.053 -14.697 1.00 0.00 H new ATOM 0 HA HIS B 15 9.939 1.561 -16.606 1.00 0.00 H new ATOM 0 HB2 HIS B 15 9.966 0.957 -14.141 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.770 -0.284 -14.462 1.00 0.00 H new ATOM 0 HD2 HIS B 15 9.920 -2.705 -15.186 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.698 -1.258 -16.394 1.00 0.00 H new ATOM 0 HE2 HIS B 15 12.313 -3.380 -16.043 1.00 0.00 H new ATOM 1722 N GLN B 16 7.179 -0.172 -17.018 1.00 0.00 N ATOM 1723 CA GLN B 16 6.556 -1.121 -17.988 1.00 0.00 C ATOM 1724 C GLN B 16 6.685 -0.590 -19.423 1.00 0.00 C ATOM 1725 O GLN B 16 6.918 -1.345 -20.347 1.00 0.00 O ATOM 1726 CB GLN B 16 5.063 -1.288 -17.651 1.00 0.00 C ATOM 1727 CG GLN B 16 4.881 -2.279 -16.497 1.00 0.00 C ATOM 1728 CD GLN B 16 5.477 -1.707 -15.212 1.00 0.00 C ATOM 1729 OE1 GLN B 16 6.773 -1.667 -15.069 1.00 0.00 O flip ATOM 1730 NE2 GLN B 16 4.753 -1.298 -14.327 1.00 0.00 N flip ATOM 0 H GLN B 16 6.553 0.208 -16.307 1.00 0.00 H new ATOM 0 HA GLN B 16 7.070 -2.079 -17.915 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.635 -0.323 -17.380 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.523 -1.641 -18.530 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.821 -2.490 -16.353 1.00 0.00 H new ATOM 0 HG3 GLN B 16 5.364 -3.225 -16.741 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.740 -1.330 -14.441 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.158 -0.922 -13.470 1.00 0.00 H new ATOM 1739 N TYR B 17 6.507 0.689 -19.628 1.00 0.00 N ATOM 1740 CA TYR B 17 6.587 1.249 -21.023 1.00 0.00 C ATOM 1741 C TYR B 17 7.976 1.796 -21.346 1.00 0.00 C ATOM 1742 O TYR B 17 8.346 1.918 -22.496 1.00 0.00 O ATOM 1743 CB TYR B 17 5.546 2.354 -21.162 1.00 0.00 C ATOM 1744 CG TYR B 17 4.193 1.705 -21.121 1.00 0.00 C ATOM 1745 CD1 TYR B 17 3.674 1.282 -19.898 1.00 0.00 C ATOM 1746 CD2 TYR B 17 3.480 1.487 -22.302 1.00 0.00 C ATOM 1747 CE1 TYR B 17 2.437 0.648 -19.849 1.00 0.00 C ATOM 1748 CE2 TYR B 17 2.242 0.845 -22.257 1.00 0.00 C ATOM 1749 CZ TYR B 17 1.716 0.424 -21.029 1.00 0.00 C ATOM 1750 OH TYR B 17 0.492 -0.212 -20.982 1.00 0.00 O ATOM 0 H TYR B 17 6.310 1.373 -18.897 1.00 0.00 H new ATOM 0 HA TYR B 17 6.390 0.443 -21.730 1.00 0.00 H new ATOM 0 HB2 TYR B 17 5.648 3.080 -20.356 1.00 0.00 H new ATOM 0 HB3 TYR B 17 5.684 2.895 -22.098 1.00 0.00 H new ATOM 0 HD1 TYR B 17 4.233 1.447 -18.988 1.00 0.00 H new ATOM 0 HD2 TYR B 17 3.886 1.815 -23.248 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.032 0.328 -18.900 1.00 0.00 H new ATOM 0 HE2 TYR B 17 1.689 0.673 -23.169 1.00 0.00 H new ATOM 0 HH TYR B 17 0.363 -0.608 -20.095 1.00 0.00 H new ATOM 1760 N SER B 18 8.744 2.139 -20.363 1.00 0.00 N ATOM 1761 CA SER B 18 10.094 2.686 -20.652 1.00 0.00 C ATOM 1762 C SER B 18 10.888 1.635 -21.426 1.00 0.00 C ATOM 1763 O SER B 18 11.606 1.941 -22.356 1.00 0.00 O ATOM 1764 CB SER B 18 10.806 3.015 -19.339 1.00 0.00 C ATOM 1765 OG SER B 18 11.244 1.809 -18.726 1.00 0.00 O ATOM 0 H SER B 18 8.501 2.067 -19.375 1.00 0.00 H new ATOM 0 HA SER B 18 10.011 3.597 -21.244 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.657 3.670 -19.528 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.132 3.552 -18.671 1.00 0.00 H new ATOM 0 HG SER B 18 10.490 1.187 -18.653 1.00 0.00 H new ATOM 1771 N GLY B 19 10.750 0.393 -21.050 1.00 0.00 N ATOM 1772 CA GLY B 19 11.479 -0.699 -21.762 1.00 0.00 C ATOM 1773 C GLY B 19 10.681 -1.159 -22.989 1.00 0.00 C ATOM 1774 O GLY B 19 10.952 -2.199 -23.555 1.00 0.00 O ATOM 0 H GLY B 19 10.161 0.085 -20.276 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.463 -0.347 -22.071 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.638 -1.540 -21.087 1.00 0.00 H new ATOM 1778 N ARG B 20 9.683 -0.417 -23.392 1.00 0.00 N ATOM 1779 CA ARG B 20 8.863 -0.851 -24.564 1.00 0.00 C ATOM 1780 C ARG B 20 9.734 -0.981 -25.819 1.00 0.00 C ATOM 1781 O ARG B 20 9.662 -1.967 -26.526 1.00 0.00 O ATOM 1782 CB ARG B 20 7.749 0.174 -24.815 1.00 0.00 C ATOM 1783 CG ARG B 20 6.953 -0.187 -26.081 1.00 0.00 C ATOM 1784 CD ARG B 20 6.458 -1.632 -26.008 1.00 0.00 C ATOM 1785 NE ARG B 20 5.336 -1.819 -26.973 1.00 0.00 N ATOM 1786 CZ ARG B 20 4.944 -3.022 -27.298 1.00 0.00 C ATOM 1787 NH1 ARG B 20 5.541 -4.064 -26.788 1.00 0.00 N ATOM 1788 NH2 ARG B 20 3.954 -3.183 -28.134 1.00 0.00 N ATOM 0 H ARG B 20 9.401 0.465 -22.964 1.00 0.00 H new ATOM 0 HA ARG B 20 8.427 -1.825 -24.343 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.079 0.208 -23.956 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.181 1.169 -24.922 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.105 0.489 -26.190 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.581 -0.055 -26.962 1.00 0.00 H new ATOM 0 HD2 ARG B 20 7.271 -2.319 -26.241 1.00 0.00 H new ATOM 0 HD3 ARG B 20 6.125 -1.864 -24.996 1.00 0.00 H new ATOM 0 HE ARG B 20 4.874 -1.006 -27.380 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.315 -3.940 -26.135 1.00 0.00 H new ATOM 0 HH12 ARG B 20 5.234 -5.003 -27.042 1.00 0.00 H new ATOM 0 HH21 ARG B 20 3.486 -2.369 -28.534 1.00 0.00 H new ATOM 0 HH22 ARG B 20 3.648 -4.122 -28.388 1.00 0.00 H new ATOM 1802 N GLU B 21 10.551 0.002 -26.105 1.00 0.00 N ATOM 1803 CA GLU B 21 11.428 -0.062 -27.325 1.00 0.00 C ATOM 1804 C GLU B 21 12.884 -0.259 -26.906 1.00 0.00 C ATOM 1805 O GLU B 21 13.689 -0.765 -27.662 1.00 0.00 O ATOM 1806 CB GLU B 21 11.327 1.253 -28.103 1.00 0.00 C ATOM 1807 CG GLU B 21 9.918 1.421 -28.670 1.00 0.00 C ATOM 1808 CD GLU B 21 9.679 0.382 -29.768 1.00 0.00 C ATOM 1809 OE1 GLU B 21 10.624 0.062 -30.469 1.00 0.00 O ATOM 1810 OE2 GLU B 21 8.553 -0.073 -29.891 1.00 0.00 O ATOM 0 H GLU B 21 10.652 0.850 -25.547 1.00 0.00 H new ATOM 0 HA GLU B 21 11.100 -0.895 -27.947 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.566 2.091 -27.448 1.00 0.00 H new ATOM 0 HB3 GLU B 21 12.057 1.262 -28.913 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.180 1.303 -27.877 1.00 0.00 H new ATOM 0 HG3 GLU B 21 9.795 2.426 -29.073 1.00 0.00 H new ATOM 1817 N GLY B 22 13.230 0.136 -25.707 1.00 0.00 N ATOM 1818 CA GLY B 22 14.641 -0.025 -25.233 1.00 0.00 C ATOM 1819 C GLY B 22 15.101 1.255 -24.533 1.00 0.00 C ATOM 1820 O GLY B 22 16.075 1.252 -23.807 1.00 0.00 O ATOM 0 H GLY B 22 12.595 0.564 -25.033 1.00 0.00 H new ATOM 0 HA2 GLY B 22 14.710 -0.870 -24.548 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.295 -0.244 -26.077 1.00 0.00 H new ATOM 1824 N ASP B 23 14.415 2.351 -24.732 1.00 0.00 N ATOM 1825 CA ASP B 23 14.838 3.608 -24.056 1.00 0.00 C ATOM 1826 C ASP B 23 14.310 3.583 -22.623 1.00 0.00 C ATOM 1827 O ASP B 23 13.346 4.241 -22.289 1.00 0.00 O ATOM 1828 CB ASP B 23 14.262 4.815 -24.797 1.00 0.00 C ATOM 1829 CG ASP B 23 14.924 4.933 -26.172 1.00 0.00 C ATOM 1830 OD1 ASP B 23 15.987 4.361 -26.346 1.00 0.00 O ATOM 1831 OD2 ASP B 23 14.353 5.590 -27.027 1.00 0.00 O ATOM 0 H ASP B 23 13.590 2.428 -25.327 1.00 0.00 H new ATOM 0 HA ASP B 23 15.925 3.685 -24.055 1.00 0.00 H new ATOM 0 HB2 ASP B 23 13.183 4.706 -24.909 1.00 0.00 H new ATOM 0 HB3 ASP B 23 14.432 5.724 -24.220 1.00 0.00 H new ATOM 1836 N LYS B 24 14.930 2.812 -21.779 1.00 0.00 N ATOM 1837 CA LYS B 24 14.466 2.721 -20.371 1.00 0.00 C ATOM 1838 C LYS B 24 14.620 4.083 -19.689 1.00 0.00 C ATOM 1839 O LYS B 24 13.783 4.502 -18.915 1.00 0.00 O ATOM 1840 CB LYS B 24 15.311 1.680 -19.635 1.00 0.00 C ATOM 1841 CG LYS B 24 14.970 0.286 -20.171 1.00 0.00 C ATOM 1842 CD LYS B 24 15.724 -0.784 -19.372 1.00 0.00 C ATOM 1843 CE LYS B 24 17.224 -0.725 -19.681 1.00 0.00 C ATOM 1844 NZ LYS B 24 17.858 -2.012 -19.277 1.00 0.00 N ATOM 0 H LYS B 24 15.742 2.238 -22.005 1.00 0.00 H new ATOM 0 HA LYS B 24 13.417 2.427 -20.348 1.00 0.00 H new ATOM 0 HB2 LYS B 24 16.371 1.888 -19.777 1.00 0.00 H new ATOM 0 HB3 LYS B 24 15.117 1.728 -18.563 1.00 0.00 H new ATOM 0 HG2 LYS B 24 13.896 0.114 -20.101 1.00 0.00 H new ATOM 0 HG3 LYS B 24 15.236 0.218 -21.226 1.00 0.00 H new ATOM 0 HD2 LYS B 24 15.560 -0.633 -18.305 1.00 0.00 H new ATOM 0 HD3 LYS B 24 15.334 -1.772 -19.618 1.00 0.00 H new ATOM 0 HE2 LYS B 24 17.382 -0.546 -20.745 1.00 0.00 H new ATOM 0 HE3 LYS B 24 17.685 0.105 -19.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 18.876 -1.977 -19.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 17.717 -2.163 -18.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 17.423 -2.794 -19.806 1.00 0.00 H new ATOM 1858 N HIS B 25 15.697 4.768 -19.961 1.00 0.00 N ATOM 1859 CA HIS B 25 15.930 6.095 -19.322 1.00 0.00 C ATOM 1860 C HIS B 25 15.151 7.206 -20.041 1.00 0.00 C ATOM 1861 O HIS B 25 14.990 8.286 -19.506 1.00 0.00 O ATOM 1862 CB HIS B 25 17.426 6.414 -19.353 1.00 0.00 C ATOM 1863 CG HIS B 25 17.659 7.768 -18.745 1.00 0.00 C ATOM 1864 ND1 HIS B 25 17.175 8.108 -17.489 1.00 0.00 N ATOM 1865 CD2 HIS B 25 18.319 8.880 -19.208 1.00 0.00 C ATOM 1866 CE1 HIS B 25 17.546 9.378 -17.242 1.00 0.00 C ATOM 1867 NE2 HIS B 25 18.244 9.891 -18.257 1.00 0.00 N ATOM 0 H HIS B 25 16.430 4.464 -20.602 1.00 0.00 H new ATOM 0 HA HIS B 25 15.577 6.048 -18.292 1.00 0.00 H new ATOM 0 HB2 HIS B 25 17.983 5.655 -18.803 1.00 0.00 H new ATOM 0 HB3 HIS B 25 17.792 6.396 -20.380 1.00 0.00 H new ATOM 0 HD2 HIS B 25 18.819 8.957 -20.162 1.00 0.00 H new ATOM 0 HE1 HIS B 25 17.308 9.915 -16.335 1.00 0.00 H new ATOM 0 HE2 HIS B 25 18.640 10.829 -18.322 1.00 0.00 H new ATOM 1876 N LYS B 26 14.681 6.974 -21.247 1.00 0.00 N ATOM 1877 CA LYS B 26 13.930 8.052 -21.982 1.00 0.00 C ATOM 1878 C LYS B 26 12.657 7.488 -22.628 1.00 0.00 C ATOM 1879 O LYS B 26 12.584 6.339 -23.007 1.00 0.00 O ATOM 1880 CB LYS B 26 14.820 8.641 -23.083 1.00 0.00 C ATOM 1881 CG LYS B 26 15.983 9.419 -22.461 1.00 0.00 C ATOM 1882 CD LYS B 26 16.857 9.997 -23.579 1.00 0.00 C ATOM 1883 CE LYS B 26 18.025 10.778 -22.975 1.00 0.00 C ATOM 1884 NZ LYS B 26 18.991 11.134 -24.054 1.00 0.00 N ATOM 0 H LYS B 26 14.783 6.094 -21.752 1.00 0.00 H new ATOM 0 HA LYS B 26 13.654 8.824 -21.264 1.00 0.00 H new ATOM 0 HB2 LYS B 26 15.205 7.842 -23.717 1.00 0.00 H new ATOM 0 HB3 LYS B 26 14.233 9.300 -23.722 1.00 0.00 H new ATOM 0 HG2 LYS B 26 15.603 10.221 -21.829 1.00 0.00 H new ATOM 0 HG3 LYS B 26 16.575 8.763 -21.822 1.00 0.00 H new ATOM 0 HD2 LYS B 26 17.234 9.193 -24.211 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.262 10.651 -24.217 1.00 0.00 H new ATOM 0 HE2 LYS B 26 17.659 11.681 -22.486 1.00 0.00 H new ATOM 0 HE3 LYS B 26 18.521 10.180 -22.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 19.787 11.665 -23.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 19.348 10.265 -24.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 18.513 11.720 -24.768 1.00 0.00 H new ATOM 1898 N LEU B 27 11.659 8.321 -22.762 1.00 0.00 N ATOM 1899 CA LEU B 27 10.365 7.906 -23.393 1.00 0.00 C ATOM 1900 C LEU B 27 10.201 8.672 -24.709 1.00 0.00 C ATOM 1901 O LEU B 27 10.347 9.875 -24.751 1.00 0.00 O ATOM 1902 CB LEU B 27 9.202 8.271 -22.444 1.00 0.00 C ATOM 1903 CG LEU B 27 8.866 7.107 -21.493 1.00 0.00 C ATOM 1904 CD1 LEU B 27 8.185 5.954 -22.255 1.00 0.00 C ATOM 1905 CD2 LEU B 27 10.142 6.601 -20.807 1.00 0.00 C ATOM 0 H LEU B 27 11.684 9.293 -22.455 1.00 0.00 H new ATOM 0 HA LEU B 27 10.361 6.832 -23.580 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.469 9.153 -21.862 1.00 0.00 H new ATOM 0 HB3 LEU B 27 8.320 8.530 -23.030 1.00 0.00 H new ATOM 0 HG LEU B 27 8.174 7.474 -20.735 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.958 5.144 -21.562 1.00 0.00 H new ATOM 0 HD12 LEU B 27 7.261 6.313 -22.709 1.00 0.00 H new ATOM 0 HD13 LEU B 27 8.854 5.588 -23.034 1.00 0.00 H new ATOM 0 HD21 LEU B 27 9.893 5.778 -20.137 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.848 6.254 -21.562 1.00 0.00 H new ATOM 0 HD23 LEU B 27 10.593 7.411 -20.234 1.00 0.00 H new ATOM 1917 N LYS B 28 9.886 7.992 -25.781 1.00 0.00 N ATOM 1918 CA LYS B 28 9.699 8.691 -27.082 1.00 0.00 C ATOM 1919 C LYS B 28 8.205 8.930 -27.294 1.00 0.00 C ATOM 1920 O LYS B 28 7.381 8.179 -26.811 1.00 0.00 O ATOM 1921 CB LYS B 28 10.238 7.812 -28.217 1.00 0.00 C ATOM 1922 CG LYS B 28 11.744 7.588 -28.025 1.00 0.00 C ATOM 1923 CD LYS B 28 12.365 6.990 -29.299 1.00 0.00 C ATOM 1924 CE LYS B 28 11.932 5.530 -29.481 1.00 0.00 C ATOM 1925 NZ LYS B 28 12.326 4.735 -28.283 1.00 0.00 N ATOM 0 H LYS B 28 9.751 6.981 -25.809 1.00 0.00 H new ATOM 0 HA LYS B 28 10.235 9.640 -27.077 1.00 0.00 H new ATOM 0 HB2 LYS B 28 9.716 6.855 -28.228 1.00 0.00 H new ATOM 0 HB3 LYS B 28 10.051 8.288 -29.179 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.231 8.533 -27.785 1.00 0.00 H new ATOM 0 HG3 LYS B 28 11.914 6.919 -27.182 1.00 0.00 H new ATOM 0 HD2 LYS B 28 12.061 7.575 -30.167 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.452 7.047 -29.241 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.853 5.476 -29.626 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.395 5.112 -30.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.660 3.797 -28.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.088 5.228 -27.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.505 4.625 -27.654 1.00 0.00 H new ATOM 1939 N LYS B 29 7.840 9.958 -28.019 1.00 0.00 N ATOM 1940 CA LYS B 29 6.394 10.218 -28.261 1.00 0.00 C ATOM 1941 C LYS B 29 5.749 8.912 -28.704 1.00 0.00 C ATOM 1942 O LYS B 29 4.560 8.701 -28.569 1.00 0.00 O ATOM 1943 CB LYS B 29 6.231 11.283 -29.357 1.00 0.00 C ATOM 1944 CG LYS B 29 6.654 10.735 -30.729 1.00 0.00 C ATOM 1945 CD LYS B 29 6.540 11.852 -31.774 1.00 0.00 C ATOM 1946 CE LYS B 29 6.842 11.292 -33.169 1.00 0.00 C ATOM 1947 NZ LYS B 29 5.634 10.597 -33.699 1.00 0.00 N ATOM 0 H LYS B 29 8.480 10.624 -28.451 1.00 0.00 H new ATOM 0 HA LYS B 29 5.917 10.585 -27.352 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.192 11.611 -29.398 1.00 0.00 H new ATOM 0 HB3 LYS B 29 6.832 12.158 -29.110 1.00 0.00 H new ATOM 0 HG2 LYS B 29 7.678 10.364 -30.686 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.021 9.893 -31.009 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.538 12.281 -31.753 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.236 12.657 -31.537 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.134 12.099 -33.841 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.681 10.598 -33.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.828 10.247 -34.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.395 9.796 -33.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 4.835 11.263 -33.728 1.00 0.00 H new ATOM 1961 N SER B 30 6.552 8.029 -29.222 1.00 0.00 N ATOM 1962 CA SER B 30 6.022 6.712 -29.671 1.00 0.00 C ATOM 1963 C SER B 30 5.794 5.837 -28.440 1.00 0.00 C ATOM 1964 O SER B 30 4.733 5.283 -28.246 1.00 0.00 O ATOM 1965 CB SER B 30 7.027 6.038 -30.607 1.00 0.00 C ATOM 1966 OG SER B 30 8.256 5.848 -29.919 1.00 0.00 O ATOM 0 H SER B 30 7.555 8.161 -29.355 1.00 0.00 H new ATOM 0 HA SER B 30 5.084 6.852 -30.209 1.00 0.00 H new ATOM 0 HB2 SER B 30 6.637 5.079 -30.949 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.185 6.653 -31.493 1.00 0.00 H new ATOM 0 HG SER B 30 8.846 5.277 -30.454 1.00 0.00 H new ATOM 1972 N GLU B 31 6.779 5.738 -27.590 1.00 0.00 N ATOM 1973 CA GLU B 31 6.619 4.932 -26.352 1.00 0.00 C ATOM 1974 C GLU B 31 5.491 5.558 -25.537 1.00 0.00 C ATOM 1975 O GLU B 31 4.710 4.883 -24.901 1.00 0.00 O ATOM 1976 CB GLU B 31 7.923 4.961 -25.555 1.00 0.00 C ATOM 1977 CG GLU B 31 8.997 4.189 -26.323 1.00 0.00 C ATOM 1978 CD GLU B 31 10.316 4.237 -25.552 1.00 0.00 C ATOM 1979 OE1 GLU B 31 10.279 4.511 -24.367 1.00 0.00 O ATOM 1980 OE2 GLU B 31 11.342 3.997 -26.161 1.00 0.00 O ATOM 0 H GLU B 31 7.690 6.183 -27.702 1.00 0.00 H new ATOM 0 HA GLU B 31 6.382 3.895 -26.589 1.00 0.00 H new ATOM 0 HB2 GLU B 31 8.243 5.991 -25.394 1.00 0.00 H new ATOM 0 HB3 GLU B 31 7.772 4.517 -24.571 1.00 0.00 H new ATOM 0 HG2 GLU B 31 8.684 3.154 -26.464 1.00 0.00 H new ATOM 0 HG3 GLU B 31 9.129 4.620 -27.315 1.00 0.00 H new ATOM 1987 N LEU B 32 5.411 6.860 -25.570 1.00 0.00 N ATOM 1988 CA LEU B 32 4.346 7.584 -24.824 1.00 0.00 C ATOM 1989 C LEU B 32 2.977 7.132 -25.329 1.00 0.00 C ATOM 1990 O LEU B 32 2.047 7.008 -24.576 1.00 0.00 O ATOM 1991 CB LEU B 32 4.511 9.093 -25.032 1.00 0.00 C ATOM 1992 CG LEU B 32 3.417 9.865 -24.279 1.00 0.00 C ATOM 1993 CD1 LEU B 32 3.489 9.564 -22.773 1.00 0.00 C ATOM 1994 CD2 LEU B 32 3.626 11.366 -24.510 1.00 0.00 C ATOM 0 H LEU B 32 6.049 7.461 -26.091 1.00 0.00 H new ATOM 0 HA LEU B 32 4.426 7.361 -23.760 1.00 0.00 H new ATOM 0 HB2 LEU B 32 5.494 9.409 -24.681 1.00 0.00 H new ATOM 0 HB3 LEU B 32 4.462 9.327 -26.096 1.00 0.00 H new ATOM 0 HG LEU B 32 2.439 9.558 -24.649 1.00 0.00 H new ATOM 0 HD11 LEU B 32 2.708 10.118 -22.253 1.00 0.00 H new ATOM 0 HD12 LEU B 32 3.347 8.496 -22.608 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.464 9.864 -22.388 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.855 11.926 -23.981 1.00 0.00 H new ATOM 0 HD22 LEU B 32 4.608 11.658 -24.137 1.00 0.00 H new ATOM 0 HD23 LEU B 32 3.564 11.582 -25.577 1.00 0.00 H new ATOM 2006 N LYS B 33 2.849 6.898 -26.601 1.00 0.00 N ATOM 2007 CA LYS B 33 1.529 6.456 -27.156 1.00 0.00 C ATOM 2008 C LYS B 33 1.116 5.138 -26.492 1.00 0.00 C ATOM 2009 O LYS B 33 -0.041 4.925 -26.188 1.00 0.00 O ATOM 2010 CB LYS B 33 1.686 6.233 -28.675 1.00 0.00 C ATOM 2011 CG LYS B 33 0.388 5.705 -29.327 1.00 0.00 C ATOM 2012 CD LYS B 33 -0.664 6.819 -29.400 1.00 0.00 C ATOM 2013 CE LYS B 33 -1.861 6.381 -30.265 1.00 0.00 C ATOM 2014 NZ LYS B 33 -2.847 5.650 -29.422 1.00 0.00 N ATOM 0 H LYS B 33 3.598 6.992 -27.287 1.00 0.00 H new ATOM 0 HA LYS B 33 0.769 7.213 -26.963 1.00 0.00 H new ATOM 0 HB2 LYS B 33 1.973 7.171 -29.150 1.00 0.00 H new ATOM 0 HB3 LYS B 33 2.495 5.524 -28.854 1.00 0.00 H new ATOM 0 HG2 LYS B 33 0.602 5.332 -30.329 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -0.001 4.866 -28.750 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -1.007 7.069 -28.396 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -0.217 7.721 -29.818 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -2.332 7.253 -30.720 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -1.519 5.742 -31.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -3.792 5.724 -29.850 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -2.574 4.649 -29.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -2.865 6.066 -28.469 1.00 0.00 H new ATOM 2028 N GLU B 34 2.042 4.247 -26.280 1.00 0.00 N ATOM 2029 CA GLU B 34 1.686 2.945 -25.655 1.00 0.00 C ATOM 2030 C GLU B 34 1.314 3.139 -24.180 1.00 0.00 C ATOM 2031 O GLU B 34 0.393 2.536 -23.685 1.00 0.00 O ATOM 2032 CB GLU B 34 2.867 1.974 -25.794 1.00 0.00 C ATOM 2033 CG GLU B 34 2.992 1.503 -27.250 1.00 0.00 C ATOM 2034 CD GLU B 34 3.560 2.627 -28.115 1.00 0.00 C ATOM 2035 OE1 GLU B 34 4.725 2.941 -27.952 1.00 0.00 O ATOM 2036 OE2 GLU B 34 2.821 3.149 -28.934 1.00 0.00 O ATOM 0 H GLU B 34 3.028 4.364 -26.512 1.00 0.00 H new ATOM 0 HA GLU B 34 0.819 2.527 -26.166 1.00 0.00 H new ATOM 0 HB2 GLU B 34 3.789 2.463 -25.481 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.722 1.116 -25.137 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.640 0.628 -27.304 1.00 0.00 H new ATOM 0 HG3 GLU B 34 2.016 1.200 -27.628 1.00 0.00 H new ATOM 2043 N LEU B 35 2.010 3.976 -23.471 1.00 0.00 N ATOM 2044 CA LEU B 35 1.657 4.201 -22.037 1.00 0.00 C ATOM 2045 C LEU B 35 0.230 4.749 -21.963 1.00 0.00 C ATOM 2046 O LEU B 35 -0.590 4.296 -21.190 1.00 0.00 O ATOM 2047 CB LEU B 35 2.652 5.211 -21.432 1.00 0.00 C ATOM 2048 CG LEU B 35 2.263 5.618 -19.987 1.00 0.00 C ATOM 2049 CD1 LEU B 35 1.071 6.605 -19.972 1.00 0.00 C ATOM 2050 CD2 LEU B 35 1.917 4.372 -19.161 1.00 0.00 C ATOM 0 H LEU B 35 2.805 4.514 -23.815 1.00 0.00 H new ATOM 0 HA LEU B 35 1.712 3.268 -21.476 1.00 0.00 H new ATOM 0 HB2 LEU B 35 3.652 4.777 -21.429 1.00 0.00 H new ATOM 0 HB3 LEU B 35 2.692 6.101 -22.060 1.00 0.00 H new ATOM 0 HG LEU B 35 3.122 6.122 -19.544 1.00 0.00 H new ATOM 0 HD11 LEU B 35 0.828 6.867 -18.942 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.339 7.507 -20.522 1.00 0.00 H new ATOM 0 HD13 LEU B 35 0.205 6.137 -20.441 1.00 0.00 H new ATOM 0 HD21 LEU B 35 1.646 4.671 -18.148 1.00 0.00 H new ATOM 0 HD22 LEU B 35 1.078 3.851 -19.623 1.00 0.00 H new ATOM 0 HD23 LEU B 35 2.781 3.708 -19.124 1.00 0.00 H new ATOM 2062 N ILE B 36 -0.049 5.752 -22.746 1.00 0.00 N ATOM 2063 CA ILE B 36 -1.395 6.392 -22.726 1.00 0.00 C ATOM 2064 C ILE B 36 -2.465 5.537 -23.413 1.00 0.00 C ATOM 2065 O ILE B 36 -3.577 5.455 -22.952 1.00 0.00 O ATOM 2066 CB ILE B 36 -1.326 7.746 -23.449 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -0.213 8.602 -22.843 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -2.656 8.489 -23.291 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -0.157 9.955 -23.555 1.00 0.00 C ATOM 0 H ILE B 36 0.608 6.162 -23.409 1.00 0.00 H new ATOM 0 HA ILE B 36 -1.675 6.511 -21.679 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.124 7.568 -24.505 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -0.392 8.748 -21.778 1.00 0.00 H new ATOM 0 HG13 ILE B 36 0.745 8.090 -22.938 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.600 9.448 -23.806 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -3.460 7.892 -23.722 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.856 8.656 -22.233 1.00 0.00 H new ATOM 0 HD11 ILE B 36 0.637 10.562 -23.121 1.00 0.00 H new ATOM 0 HD12 ILE B 36 0.043 9.800 -24.615 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.112 10.468 -23.437 1.00 0.00 H new ATOM 2081 N ASN B 37 -2.181 4.980 -24.549 1.00 0.00 N ATOM 2082 CA ASN B 37 -3.244 4.227 -25.288 1.00 0.00 C ATOM 2083 C ASN B 37 -3.494 2.815 -24.741 1.00 0.00 C ATOM 2084 O ASN B 37 -4.579 2.282 -24.865 1.00 0.00 O ATOM 2085 CB ASN B 37 -2.819 4.119 -26.750 1.00 0.00 C ATOM 2086 CG ASN B 37 -3.979 3.581 -27.587 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -4.907 4.402 -27.996 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -4.041 2.402 -27.874 1.00 0.00 N flip ATOM 0 H ASN B 37 -1.268 5.008 -25.003 1.00 0.00 H new ATOM 0 HA ASN B 37 -4.176 4.778 -25.166 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -2.512 5.096 -27.122 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -1.956 3.459 -26.840 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -3.315 1.760 -27.554 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -4.819 2.054 -28.435 1.00 0.00 H new ATOM 2095 N ASN B 38 -2.497 2.186 -24.202 1.00 0.00 N ATOM 2096 CA ASN B 38 -2.657 0.769 -23.712 1.00 0.00 C ATOM 2097 C ASN B 38 -2.834 0.668 -22.198 1.00 0.00 C ATOM 2098 O ASN B 38 -3.565 -0.175 -21.716 1.00 0.00 O ATOM 2099 CB ASN B 38 -1.420 -0.033 -24.116 1.00 0.00 C ATOM 2100 CG ASN B 38 -1.594 -1.493 -23.694 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -2.786 -2.023 -23.696 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 -0.634 -2.159 -23.358 1.00 0.00 N flip ATOM 0 H ASN B 38 -1.566 2.583 -24.072 1.00 0.00 H new ATOM 0 HA ASN B 38 -3.564 0.373 -24.168 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -1.270 0.029 -25.194 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.531 0.388 -23.646 1.00 0.00 H new ATOM 0 HD21 ASN B 38 0.298 -1.745 -23.356 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -0.761 -3.132 -23.078 1.00 0.00 H new ATOM 2109 N GLU B 39 -2.155 1.469 -21.432 1.00 0.00 N ATOM 2110 CA GLU B 39 -2.287 1.335 -19.952 1.00 0.00 C ATOM 2111 C GLU B 39 -3.574 2.015 -19.485 1.00 0.00 C ATOM 2112 O GLU B 39 -4.010 1.836 -18.366 1.00 0.00 O ATOM 2113 CB GLU B 39 -1.065 1.972 -19.266 1.00 0.00 C ATOM 2114 CG GLU B 39 -0.939 1.454 -17.826 1.00 0.00 C ATOM 2115 CD GLU B 39 -0.259 0.077 -17.820 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -0.446 -0.663 -18.770 1.00 0.00 O ATOM 2117 OE2 GLU B 39 0.448 -0.212 -16.868 1.00 0.00 O ATOM 0 H GLU B 39 -1.523 2.201 -21.756 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.332 0.279 -19.684 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -0.160 1.737 -19.826 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.165 3.057 -19.263 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.360 2.157 -17.227 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -1.926 1.383 -17.369 1.00 0.00 H new ATOM 2124 N LEU B 40 -4.194 2.788 -20.340 1.00 0.00 N ATOM 2125 CA LEU B 40 -5.465 3.477 -19.957 1.00 0.00 C ATOM 2126 C LEU B 40 -6.644 2.704 -20.550 1.00 0.00 C ATOM 2127 O LEU B 40 -7.486 3.275 -21.210 1.00 0.00 O ATOM 2128 CB LEU B 40 -5.488 4.889 -20.543 1.00 0.00 C ATOM 2129 CG LEU B 40 -4.472 5.809 -19.838 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -4.914 6.100 -18.386 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.078 5.171 -19.819 1.00 0.00 C ATOM 0 H LEU B 40 -3.874 2.973 -21.291 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.533 3.522 -18.870 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.263 4.846 -21.609 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -6.489 5.308 -20.445 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.431 6.743 -20.398 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.183 6.751 -17.907 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -5.887 6.591 -18.393 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.984 5.164 -17.832 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.379 5.839 -19.316 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.120 4.221 -19.285 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.743 4.998 -20.842 1.00 0.00 H new ATOM 2143 N SER B 41 -6.705 1.415 -20.341 1.00 0.00 N ATOM 2144 CA SER B 41 -7.827 0.610 -20.922 1.00 0.00 C ATOM 2145 C SER B 41 -9.155 1.369 -20.779 1.00 0.00 C ATOM 2146 O SER B 41 -9.831 1.627 -21.755 1.00 0.00 O ATOM 2147 CB SER B 41 -7.920 -0.732 -20.191 1.00 0.00 C ATOM 2148 OG SER B 41 -6.872 -1.582 -20.641 1.00 0.00 O ATOM 0 H SER B 41 -6.028 0.883 -19.794 1.00 0.00 H new ATOM 0 HA SER B 41 -7.632 0.439 -21.981 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.844 -0.580 -19.114 1.00 0.00 H new ATOM 0 HB3 SER B 41 -8.888 -1.196 -20.380 1.00 0.00 H new ATOM 0 HG SER B 41 -6.926 -2.442 -20.175 1.00 0.00 H new ATOM 2154 N HIS B 42 -9.530 1.745 -19.582 1.00 0.00 N ATOM 2155 CA HIS B 42 -10.810 2.507 -19.400 1.00 0.00 C ATOM 2156 C HIS B 42 -10.639 3.567 -18.307 1.00 0.00 C ATOM 2157 O HIS B 42 -11.565 4.281 -17.976 1.00 0.00 O ATOM 2158 CB HIS B 42 -11.932 1.543 -19.000 1.00 0.00 C ATOM 2159 CG HIS B 42 -11.664 0.987 -17.628 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -10.784 -0.064 -17.415 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -12.153 1.324 -16.388 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -10.771 -0.321 -16.094 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -11.587 0.496 -15.427 1.00 0.00 N ATOM 0 H HIS B 42 -9.010 1.560 -18.724 1.00 0.00 H new ATOM 0 HA HIS B 42 -11.066 2.997 -20.339 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -12.890 2.062 -19.011 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.001 0.731 -19.724 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -12.867 2.111 -16.192 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -10.174 -1.093 -15.632 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -11.759 0.510 -14.422 1.00 0.00 H new ATOM 2172 N PHE B 43 -9.471 3.675 -17.739 1.00 0.00 N ATOM 2173 CA PHE B 43 -9.260 4.685 -16.666 1.00 0.00 C ATOM 2174 C PHE B 43 -9.289 6.095 -17.270 1.00 0.00 C ATOM 2175 O PHE B 43 -9.815 7.018 -16.681 1.00 0.00 O ATOM 2176 CB PHE B 43 -7.920 4.413 -15.968 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.568 5.532 -15.000 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.514 6.016 -14.078 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.280 6.082 -15.020 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.167 7.043 -13.192 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.937 7.107 -14.134 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.880 7.589 -13.221 1.00 0.00 C ATOM 0 H PHE B 43 -8.655 3.109 -17.971 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.058 4.614 -15.927 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.972 3.466 -15.430 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.132 4.313 -16.714 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.508 5.595 -14.054 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.549 5.712 -15.723 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.894 7.414 -12.485 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.942 7.527 -14.155 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.614 8.383 -12.538 1.00 0.00 H new ATOM 2192 N LEU B 44 -8.738 6.268 -18.449 1.00 0.00 N ATOM 2193 CA LEU B 44 -8.743 7.615 -19.103 1.00 0.00 C ATOM 2194 C LEU B 44 -9.056 7.414 -20.580 1.00 0.00 C ATOM 2195 O LEU B 44 -8.820 6.357 -21.131 1.00 0.00 O ATOM 2196 CB LEU B 44 -7.363 8.271 -18.958 1.00 0.00 C ATOM 2197 CG LEU B 44 -7.408 9.754 -19.366 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -8.190 10.585 -18.331 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -5.971 10.283 -19.454 1.00 0.00 C ATOM 0 H LEU B 44 -8.284 5.531 -18.988 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.487 8.260 -18.635 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.023 8.185 -17.926 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.639 7.742 -19.578 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.910 9.841 -20.329 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.208 11.630 -18.642 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.211 10.210 -18.260 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.705 10.504 -17.358 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.987 11.334 -19.743 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.486 10.181 -18.483 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.418 9.711 -20.199 1.00 0.00 H new ATOM 2211 N GLU B 45 -9.586 8.403 -21.233 1.00 0.00 N ATOM 2212 CA GLU B 45 -9.902 8.226 -22.670 1.00 0.00 C ATOM 2213 C GLU B 45 -8.604 7.939 -23.424 1.00 0.00 C ATOM 2214 O GLU B 45 -7.719 8.767 -23.502 1.00 0.00 O ATOM 2215 CB GLU B 45 -10.542 9.510 -23.213 1.00 0.00 C ATOM 2216 CG GLU B 45 -10.886 9.347 -24.700 1.00 0.00 C ATOM 2217 CD GLU B 45 -12.000 8.308 -24.856 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -12.627 7.987 -23.860 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -12.211 7.856 -25.970 1.00 0.00 O ATOM 0 H GLU B 45 -9.812 9.316 -20.839 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.598 7.397 -22.802 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -11.444 9.742 -22.647 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -9.859 10.349 -23.081 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.204 10.302 -25.117 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.002 9.035 -25.256 1.00 0.00 H new ATOM 2226 N GLU B 46 -8.493 6.771 -23.987 1.00 0.00 N ATOM 2227 CA GLU B 46 -7.263 6.424 -24.751 1.00 0.00 C ATOM 2228 C GLU B 46 -7.095 7.387 -25.918 1.00 0.00 C ATOM 2229 O GLU B 46 -7.998 8.109 -26.288 1.00 0.00 O ATOM 2230 CB GLU B 46 -7.363 4.991 -25.292 1.00 0.00 C ATOM 2231 CG GLU B 46 -7.014 4.008 -24.184 1.00 0.00 C ATOM 2232 CD GLU B 46 -7.225 2.574 -24.677 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -7.692 2.415 -25.793 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -6.920 1.660 -23.929 1.00 0.00 O ATOM 0 H GLU B 46 -9.202 6.039 -23.952 1.00 0.00 H new ATOM 0 HA GLU B 46 -6.404 6.499 -24.084 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -8.371 4.799 -25.660 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -6.685 4.861 -26.136 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.978 4.147 -23.875 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -7.636 4.197 -23.309 1.00 0.00 H new ATOM 2241 N ILE B 47 -5.932 7.397 -26.496 1.00 0.00 N ATOM 2242 CA ILE B 47 -5.667 8.296 -27.643 1.00 0.00 C ATOM 2243 C ILE B 47 -6.092 7.587 -28.928 1.00 0.00 C ATOM 2244 O ILE B 47 -5.875 6.403 -29.090 1.00 0.00 O ATOM 2245 CB ILE B 47 -4.169 8.603 -27.707 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -3.693 9.210 -26.365 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -3.895 9.569 -28.871 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -3.954 10.722 -26.312 1.00 0.00 C ATOM 0 H ILE B 47 -5.144 6.812 -26.218 1.00 0.00 H new ATOM 0 HA ILE B 47 -6.224 9.226 -27.527 1.00 0.00 H new ATOM 0 HB ILE B 47 -3.614 7.680 -27.878 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -4.209 8.721 -25.539 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -2.628 9.018 -26.234 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -2.828 9.789 -28.918 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -4.213 9.110 -29.807 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -4.450 10.494 -28.714 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -3.608 11.118 -25.357 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -3.417 11.213 -27.124 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -5.022 10.911 -26.418 1.00 0.00 H new ATOM 2260 N LYS B 48 -6.711 8.296 -29.833 1.00 0.00 N ATOM 2261 CA LYS B 48 -7.177 7.666 -31.107 1.00 0.00 C ATOM 2262 C LYS B 48 -6.283 8.117 -32.263 1.00 0.00 C ATOM 2263 O LYS B 48 -6.195 7.454 -33.277 1.00 0.00 O ATOM 2264 CB LYS B 48 -8.623 8.107 -31.371 1.00 0.00 C ATOM 2265 CG LYS B 48 -9.439 8.051 -30.069 1.00 0.00 C ATOM 2266 CD LYS B 48 -9.529 6.615 -29.547 1.00 0.00 C ATOM 2267 CE LYS B 48 -10.316 6.616 -28.242 1.00 0.00 C ATOM 2268 NZ LYS B 48 -10.655 5.215 -27.864 1.00 0.00 N ATOM 0 H LYS B 48 -6.916 9.291 -29.746 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.127 6.580 -31.025 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.635 9.120 -31.773 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.077 7.461 -32.122 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -8.975 8.688 -29.316 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -10.441 8.443 -30.245 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.018 5.976 -30.282 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -8.531 6.209 -29.385 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.730 7.085 -27.452 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.227 7.204 -28.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -11.192 5.216 -26.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.230 4.782 -28.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -9.780 4.667 -27.740 1.00 0.00 H new ATOM 2282 N GLU B 49 -5.620 9.239 -32.121 1.00 0.00 N ATOM 2283 CA GLU B 49 -4.727 9.743 -33.216 1.00 0.00 C ATOM 2284 C GLU B 49 -3.351 10.109 -32.657 1.00 0.00 C ATOM 2285 O GLU B 49 -3.217 10.556 -31.535 1.00 0.00 O ATOM 2286 CB GLU B 49 -5.358 10.984 -33.853 1.00 0.00 C ATOM 2287 CG GLU B 49 -6.528 10.562 -34.737 1.00 0.00 C ATOM 2288 CD GLU B 49 -7.180 11.800 -35.355 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -6.758 12.193 -36.430 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -8.089 12.336 -34.742 1.00 0.00 O ATOM 0 H GLU B 49 -5.658 9.831 -31.291 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.608 8.958 -33.963 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.702 11.669 -33.078 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.616 11.520 -34.445 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -6.179 9.892 -35.523 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -7.260 10.009 -34.148 1.00 0.00 H new ATOM 2297 N GLN B 50 -2.331 9.944 -33.455 1.00 0.00 N ATOM 2298 CA GLN B 50 -0.953 10.300 -33.013 1.00 0.00 C ATOM 2299 C GLN B 50 -0.851 11.815 -32.893 1.00 0.00 C ATOM 2300 O GLN B 50 0.006 12.333 -32.213 1.00 0.00 O ATOM 2301 CB GLN B 50 0.057 9.819 -34.058 1.00 0.00 C ATOM 2302 CG GLN B 50 0.141 8.295 -34.038 1.00 0.00 C ATOM 2303 CD GLN B 50 0.826 7.848 -32.746 1.00 0.00 C ATOM 2304 OE1 GLN B 50 0.383 6.922 -32.097 1.00 0.00 O ATOM 2305 NE2 GLN B 50 1.892 8.483 -32.339 1.00 0.00 N ATOM 0 H GLN B 50 -2.395 9.574 -34.403 1.00 0.00 H new ATOM 0 HA GLN B 50 -0.742 9.829 -32.053 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -0.241 10.162 -35.049 1.00 0.00 H new ATOM 0 HB3 GLN B 50 1.038 10.248 -33.853 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -0.857 7.863 -34.103 1.00 0.00 H new ATOM 0 HG3 GLN B 50 0.700 7.938 -34.903 1.00 0.00 H new ATOM 0 HE21 GLN B 50 2.262 9.260 -32.886 1.00 0.00 H new ATOM 0 HE22 GLN B 50 2.354 8.202 -31.474 1.00 0.00 H new ATOM 2314 N GLU B 51 -1.711 12.528 -33.568 1.00 0.00 N ATOM 2315 CA GLU B 51 -1.657 14.018 -33.510 1.00 0.00 C ATOM 2316 C GLU B 51 -1.848 14.497 -32.074 1.00 0.00 C ATOM 2317 O GLU B 51 -1.202 15.422 -31.637 1.00 0.00 O ATOM 2318 CB GLU B 51 -2.753 14.607 -34.408 1.00 0.00 C ATOM 2319 CG GLU B 51 -4.122 14.464 -33.730 1.00 0.00 C ATOM 2320 CD GLU B 51 -5.231 14.693 -34.759 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -4.943 15.275 -35.792 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -6.348 14.282 -34.497 1.00 0.00 O ATOM 0 H GLU B 51 -2.449 12.144 -34.158 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.682 14.353 -33.863 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -2.545 15.658 -34.607 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.760 14.095 -35.370 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -4.219 13.471 -33.290 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -4.213 15.183 -32.916 1.00 0.00 H new ATOM 2329 N VAL B 52 -2.729 13.886 -31.336 1.00 0.00 N ATOM 2330 CA VAL B 52 -2.940 14.328 -29.935 1.00 0.00 C ATOM 2331 C VAL B 52 -1.636 14.180 -29.183 1.00 0.00 C ATOM 2332 O VAL B 52 -1.282 14.999 -28.370 1.00 0.00 O ATOM 2333 CB VAL B 52 -4.013 13.464 -29.270 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -4.207 13.913 -27.818 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -5.329 13.608 -30.037 1.00 0.00 C ATOM 0 H VAL B 52 -3.309 13.104 -31.641 1.00 0.00 H new ATOM 0 HA VAL B 52 -3.268 15.367 -29.922 1.00 0.00 H new ATOM 0 HB VAL B 52 -3.700 12.420 -29.283 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -4.972 13.297 -27.346 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -3.268 13.805 -27.275 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.520 14.957 -27.799 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -6.095 12.993 -29.564 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.644 14.651 -30.026 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -5.187 13.282 -31.068 1.00 0.00 H new ATOM 2345 N VAL B 53 -0.934 13.127 -29.441 1.00 0.00 N ATOM 2346 CA VAL B 53 0.350 12.892 -28.743 1.00 0.00 C ATOM 2347 C VAL B 53 1.374 13.944 -29.156 1.00 0.00 C ATOM 2348 O VAL B 53 2.202 14.343 -28.374 1.00 0.00 O ATOM 2349 CB VAL B 53 0.850 11.502 -29.102 1.00 0.00 C ATOM 2350 CG1 VAL B 53 2.125 11.203 -28.324 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -0.230 10.471 -28.748 1.00 0.00 C ATOM 0 H VAL B 53 -1.196 12.407 -30.115 1.00 0.00 H new ATOM 0 HA VAL B 53 0.204 12.964 -27.665 1.00 0.00 H new ATOM 0 HB VAL B 53 1.064 11.452 -30.170 1.00 0.00 H new ATOM 0 HG11 VAL B 53 2.483 10.206 -28.582 1.00 0.00 H new ATOM 0 HG12 VAL B 53 2.887 11.939 -28.578 1.00 0.00 H new ATOM 0 HG13 VAL B 53 1.918 11.249 -27.255 1.00 0.00 H new ATOM 0 HG21 VAL B 53 0.123 9.472 -29.003 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -0.443 10.519 -27.680 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -1.139 10.689 -29.309 1.00 0.00 H new ATOM 2361 N ASP B 54 1.331 14.382 -30.381 1.00 0.00 N ATOM 2362 CA ASP B 54 2.301 15.409 -30.846 1.00 0.00 C ATOM 2363 C ASP B 54 2.042 16.724 -30.108 1.00 0.00 C ATOM 2364 O ASP B 54 2.948 17.449 -29.750 1.00 0.00 O ATOM 2365 CB ASP B 54 2.142 15.623 -32.353 1.00 0.00 C ATOM 2366 CG ASP B 54 2.644 14.386 -33.099 1.00 0.00 C ATOM 2367 OD1 ASP B 54 3.341 13.592 -32.489 1.00 0.00 O ATOM 2368 OD2 ASP B 54 2.321 14.251 -34.268 1.00 0.00 O ATOM 0 H ASP B 54 0.661 14.071 -31.085 1.00 0.00 H new ATOM 0 HA ASP B 54 3.316 15.070 -30.638 1.00 0.00 H new ATOM 0 HB2 ASP B 54 1.096 15.808 -32.596 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.703 16.503 -32.667 1.00 0.00 H new ATOM 2373 N LYS B 55 0.803 17.032 -29.889 1.00 0.00 N ATOM 2374 CA LYS B 55 0.449 18.291 -29.175 1.00 0.00 C ATOM 2375 C LYS B 55 0.860 18.152 -27.712 1.00 0.00 C ATOM 2376 O LYS B 55 1.372 19.069 -27.096 1.00 0.00 O ATOM 2377 CB LYS B 55 -1.059 18.541 -29.293 1.00 0.00 C ATOM 2378 CG LYS B 55 -1.393 19.944 -28.781 1.00 0.00 C ATOM 2379 CD LYS B 55 -2.833 20.293 -29.160 1.00 0.00 C ATOM 2380 CE LYS B 55 -3.147 21.732 -28.739 1.00 0.00 C ATOM 2381 NZ LYS B 55 -3.232 21.814 -27.254 1.00 0.00 N ATOM 0 H LYS B 55 0.007 16.462 -30.175 1.00 0.00 H new ATOM 0 HA LYS B 55 0.972 19.139 -29.617 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -1.374 18.438 -30.331 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.607 17.794 -28.718 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -1.269 19.987 -27.699 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.705 20.673 -29.210 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.973 20.180 -30.235 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -3.524 19.604 -28.674 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.373 22.406 -29.106 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -4.088 22.054 -29.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.142 22.238 -26.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.160 20.859 -26.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.454 22.403 -26.894 1.00 0.00 H new ATOM 2395 N VAL B 56 0.659 16.987 -27.168 1.00 0.00 N ATOM 2396 CA VAL B 56 1.050 16.726 -25.758 1.00 0.00 C ATOM 2397 C VAL B 56 2.565 16.825 -25.688 1.00 0.00 C ATOM 2398 O VAL B 56 3.141 17.210 -24.690 1.00 0.00 O ATOM 2399 CB VAL B 56 0.586 15.316 -25.355 1.00 0.00 C ATOM 2400 CG1 VAL B 56 1.306 14.853 -24.085 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -0.922 15.327 -25.096 1.00 0.00 C ATOM 0 H VAL B 56 0.234 16.193 -27.648 1.00 0.00 H new ATOM 0 HA VAL B 56 0.591 17.444 -25.078 1.00 0.00 H new ATOM 0 HB VAL B 56 0.822 14.630 -26.168 1.00 0.00 H new ATOM 0 HG11 VAL B 56 0.964 13.854 -23.817 1.00 0.00 H new ATOM 0 HG12 VAL B 56 2.381 14.833 -24.263 1.00 0.00 H new ATOM 0 HG13 VAL B 56 1.086 15.543 -23.270 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -1.249 14.327 -24.811 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -1.148 16.026 -24.291 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -1.444 15.635 -26.002 1.00 0.00 H new ATOM 2411 N MET B 57 3.204 16.482 -26.764 1.00 0.00 N ATOM 2412 CA MET B 57 4.683 16.550 -26.811 1.00 0.00 C ATOM 2413 C MET B 57 5.088 18.016 -26.735 1.00 0.00 C ATOM 2414 O MET B 57 6.107 18.354 -26.196 1.00 0.00 O ATOM 2415 CB MET B 57 5.183 15.903 -28.122 1.00 0.00 C ATOM 2416 CG MET B 57 5.661 14.442 -27.897 1.00 0.00 C ATOM 2417 SD MET B 57 7.485 14.423 -27.873 1.00 0.00 S ATOM 2418 CE MET B 57 7.797 13.194 -26.575 1.00 0.00 C ATOM 0 H MET B 57 2.760 16.154 -27.622 1.00 0.00 H new ATOM 0 HA MET B 57 5.128 16.008 -25.977 1.00 0.00 H new ATOM 0 HB2 MET B 57 4.382 15.914 -28.861 1.00 0.00 H new ATOM 0 HB3 MET B 57 6.002 16.495 -28.530 1.00 0.00 H new ATOM 0 HG2 MET B 57 5.266 14.055 -26.957 1.00 0.00 H new ATOM 0 HG3 MET B 57 5.286 13.795 -28.690 1.00 0.00 H new ATOM 0 HE1 MET B 57 8.522 13.591 -25.865 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.866 12.969 -26.055 1.00 0.00 H new ATOM 0 HE3 MET B 57 8.191 12.282 -27.024 1.00 0.00 H new ATOM 2428 N GLU B 58 4.292 18.904 -27.239 1.00 0.00 N ATOM 2429 CA GLU B 58 4.683 20.329 -27.137 1.00 0.00 C ATOM 2430 C GLU B 58 4.817 20.643 -25.648 1.00 0.00 C ATOM 2431 O GLU B 58 5.723 21.331 -25.220 1.00 0.00 O ATOM 2432 CB GLU B 58 3.609 21.214 -27.776 1.00 0.00 C ATOM 2433 CG GLU B 58 4.052 22.677 -27.718 1.00 0.00 C ATOM 2434 CD GLU B 58 2.983 23.560 -28.364 1.00 0.00 C ATOM 2435 OE1 GLU B 58 2.050 23.011 -28.926 1.00 0.00 O ATOM 2436 OE2 GLU B 58 3.116 24.770 -28.286 1.00 0.00 O ATOM 0 H GLU B 58 3.406 18.714 -27.708 1.00 0.00 H new ATOM 0 HA GLU B 58 5.621 20.520 -27.659 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.444 20.914 -28.811 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.661 21.089 -27.253 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.211 22.979 -26.683 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.003 22.801 -28.236 1.00 0.00 H new ATOM 2443 N THR B 59 3.923 20.118 -24.853 1.00 0.00 N ATOM 2444 CA THR B 59 3.989 20.351 -23.382 1.00 0.00 C ATOM 2445 C THR B 59 4.995 19.400 -22.712 1.00 0.00 C ATOM 2446 O THR B 59 5.706 19.782 -21.804 1.00 0.00 O ATOM 2447 CB THR B 59 2.601 20.118 -22.776 1.00 0.00 C ATOM 2448 OG1 THR B 59 1.687 21.064 -23.311 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.658 20.263 -21.251 1.00 0.00 C ATOM 0 H THR B 59 3.146 19.534 -25.162 1.00 0.00 H new ATOM 0 HA THR B 59 4.316 21.376 -23.210 1.00 0.00 H new ATOM 0 HB THR B 59 2.270 19.109 -23.022 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.799 20.915 -22.925 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.666 20.095 -20.832 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.353 19.530 -20.842 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.996 21.267 -20.993 1.00 0.00 H new ATOM 2457 N LEU B 60 5.043 18.158 -23.127 1.00 0.00 N ATOM 2458 CA LEU B 60 5.979 17.182 -22.483 1.00 0.00 C ATOM 2459 C LEU B 60 7.348 17.208 -23.168 1.00 0.00 C ATOM 2460 O LEU B 60 8.335 16.788 -22.598 1.00 0.00 O ATOM 2461 CB LEU B 60 5.379 15.761 -22.585 1.00 0.00 C ATOM 2462 CG LEU B 60 4.538 15.431 -21.336 1.00 0.00 C ATOM 2463 CD1 LEU B 60 3.776 14.108 -21.572 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.457 15.316 -20.085 1.00 0.00 C ATOM 0 H LEU B 60 4.475 17.777 -23.884 1.00 0.00 H new ATOM 0 HA LEU B 60 6.111 17.460 -21.437 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.757 15.687 -23.477 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.180 15.030 -22.693 1.00 0.00 H new ATOM 0 HG LEU B 60 3.820 16.231 -21.158 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.179 13.870 -20.691 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.121 14.215 -22.436 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.490 13.305 -21.755 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.852 15.083 -19.209 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.188 14.523 -20.242 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.976 16.262 -19.926 1.00 0.00 H new ATOM 2476 N ASP B 61 7.433 17.692 -24.373 1.00 0.00 N ATOM 2477 CA ASP B 61 8.765 17.726 -25.047 1.00 0.00 C ATOM 2478 C ASP B 61 9.506 18.954 -24.550 1.00 0.00 C ATOM 2479 O ASP B 61 9.846 19.847 -25.301 1.00 0.00 O ATOM 2480 CB ASP B 61 8.610 17.791 -26.569 1.00 0.00 C ATOM 2481 CG ASP B 61 9.954 17.485 -27.225 1.00 0.00 C ATOM 2482 OD1 ASP B 61 10.917 17.291 -26.498 1.00 0.00 O ATOM 2483 OD2 ASP B 61 10.001 17.456 -28.443 1.00 0.00 O ATOM 0 H ASP B 61 6.653 18.061 -24.917 1.00 0.00 H new ATOM 0 HA ASP B 61 9.319 16.817 -24.811 1.00 0.00 H new ATOM 0 HB2 ASP B 61 7.859 17.074 -26.901 1.00 0.00 H new ATOM 0 HB3 ASP B 61 8.262 18.779 -26.869 1.00 0.00 H new ATOM 2488 N GLU B 62 9.735 19.006 -23.275 1.00 0.00 N ATOM 2489 CA GLU B 62 10.432 20.175 -22.682 1.00 0.00 C ATOM 2490 C GLU B 62 11.820 20.311 -23.305 1.00 0.00 C ATOM 2491 O GLU B 62 12.276 21.398 -23.598 1.00 0.00 O ATOM 2492 CB GLU B 62 10.565 19.948 -21.182 1.00 0.00 C ATOM 2493 CG GLU B 62 9.175 19.703 -20.588 1.00 0.00 C ATOM 2494 CD GLU B 62 9.275 19.641 -19.064 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.367 19.829 -18.553 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.258 19.406 -18.432 1.00 0.00 O ATOM 0 H GLU B 62 9.467 18.281 -22.609 1.00 0.00 H new ATOM 0 HA GLU B 62 9.866 21.087 -22.873 1.00 0.00 H new ATOM 0 HB2 GLU B 62 11.213 19.094 -20.987 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.028 20.814 -20.710 1.00 0.00 H new ATOM 0 HG2 GLU B 62 8.495 20.501 -20.886 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.762 18.771 -20.974 1.00 0.00 H new ATOM 2503 N ASP B 63 12.492 19.216 -23.522 1.00 0.00 N ATOM 2504 CA ASP B 63 13.844 19.290 -24.139 1.00 0.00 C ATOM 2505 C ASP B 63 13.682 19.566 -25.631 1.00 0.00 C ATOM 2506 O ASP B 63 14.628 19.884 -26.323 1.00 0.00 O ATOM 2507 CB ASP B 63 14.570 17.957 -23.950 1.00 0.00 C ATOM 2508 CG ASP B 63 14.711 17.656 -22.459 1.00 0.00 C ATOM 2509 OD1 ASP B 63 15.162 18.530 -21.737 1.00 0.00 O ATOM 2510 OD2 ASP B 63 14.363 16.556 -22.065 1.00 0.00 O ATOM 0 H ASP B 63 12.165 18.276 -23.300 1.00 0.00 H new ATOM 0 HA ASP B 63 14.423 20.084 -23.668 1.00 0.00 H new ATOM 0 HB2 ASP B 63 14.016 17.157 -24.442 1.00 0.00 H new ATOM 0 HB3 ASP B 63 15.554 17.998 -24.417 1.00 0.00 H new ATOM 2515 N GLY B 64 12.480 19.453 -26.128 1.00 0.00 N ATOM 2516 CA GLY B 64 12.247 19.716 -27.577 1.00 0.00 C ATOM 2517 C GLY B 64 12.957 18.652 -28.417 1.00 0.00 C ATOM 2518 O GLY B 64 13.398 18.920 -29.517 1.00 0.00 O ATOM 0 H GLY B 64 11.651 19.191 -25.595 1.00 0.00 H new ATOM 0 HA2 GLY B 64 11.178 19.708 -27.790 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.617 20.707 -27.840 1.00 0.00 H new ATOM 2522 N ASP B 65 13.079 17.446 -27.910 1.00 0.00 N ATOM 2523 CA ASP B 65 13.772 16.365 -28.683 1.00 0.00 C ATOM 2524 C ASP B 65 12.736 15.380 -29.215 1.00 0.00 C ATOM 2525 O ASP B 65 13.068 14.376 -29.815 1.00 0.00 O ATOM 2526 CB ASP B 65 14.744 15.636 -27.755 1.00 0.00 C ATOM 2527 CG ASP B 65 13.970 14.998 -26.602 1.00 0.00 C ATOM 2528 OD1 ASP B 65 12.791 15.284 -26.475 1.00 0.00 O ATOM 2529 OD2 ASP B 65 14.569 14.231 -25.866 1.00 0.00 O ATOM 0 H ASP B 65 12.728 17.164 -26.994 1.00 0.00 H new ATOM 0 HA ASP B 65 14.319 16.799 -29.520 1.00 0.00 H new ATOM 0 HB2 ASP B 65 15.287 14.871 -28.309 1.00 0.00 H new ATOM 0 HB3 ASP B 65 15.485 16.335 -27.367 1.00 0.00 H new ATOM 2534 N GLY B 66 11.484 15.649 -28.987 1.00 0.00 N ATOM 2535 CA GLY B 66 10.427 14.720 -29.464 1.00 0.00 C ATOM 2536 C GLY B 66 10.364 13.539 -28.499 1.00 0.00 C ATOM 2537 O GLY B 66 9.672 12.567 -28.723 1.00 0.00 O ATOM 0 H GLY B 66 11.146 16.473 -28.490 1.00 0.00 H new ATOM 0 HA2 GLY B 66 9.464 15.229 -29.507 1.00 0.00 H new ATOM 0 HA3 GLY B 66 10.650 14.375 -30.474 1.00 0.00 H new ATOM 2541 N GLU B 67 11.102 13.625 -27.422 1.00 0.00 N ATOM 2542 CA GLU B 67 11.124 12.524 -26.419 1.00 0.00 C ATOM 2543 C GLU B 67 11.107 13.132 -25.012 1.00 0.00 C ATOM 2544 O GLU B 67 11.903 13.994 -24.696 1.00 0.00 O ATOM 2545 CB GLU B 67 12.419 11.726 -26.596 1.00 0.00 C ATOM 2546 CG GLU B 67 12.600 11.359 -28.071 1.00 0.00 C ATOM 2547 CD GLU B 67 13.894 10.561 -28.246 1.00 0.00 C ATOM 2548 OE1 GLU B 67 14.659 10.494 -27.298 1.00 0.00 O ATOM 2549 OE2 GLU B 67 14.097 10.031 -29.326 1.00 0.00 O ATOM 0 H GLU B 67 11.697 14.422 -27.194 1.00 0.00 H new ATOM 0 HA GLU B 67 10.259 11.875 -26.555 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.270 12.313 -26.250 1.00 0.00 H new ATOM 0 HB3 GLU B 67 12.387 10.822 -25.987 1.00 0.00 H new ATOM 0 HG2 GLU B 67 11.749 10.772 -28.417 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.633 12.263 -28.680 1.00 0.00 H new ATOM 2556 N CYS B 68 10.225 12.679 -24.156 1.00 0.00 N ATOM 2557 CA CYS B 68 10.179 13.223 -22.757 1.00 0.00 C ATOM 2558 C CYS B 68 10.964 12.272 -21.850 1.00 0.00 C ATOM 2559 O CYS B 68 10.741 11.085 -21.837 1.00 0.00 O ATOM 2560 CB CYS B 68 8.717 13.353 -22.285 1.00 0.00 C ATOM 2561 SG CYS B 68 7.676 12.207 -23.223 1.00 0.00 S ATOM 0 H CYS B 68 9.534 11.957 -24.362 1.00 0.00 H new ATOM 0 HA CYS B 68 10.626 14.216 -22.721 1.00 0.00 H new ATOM 0 HB2 CYS B 68 8.647 13.135 -21.219 1.00 0.00 H new ATOM 0 HB3 CYS B 68 8.368 14.376 -22.425 1.00 0.00 H new ATOM 0 HG CYS B 68 6.443 12.314 -22.824 1.00 0.00 H new ATOM 2567 N ASP B 69 11.903 12.794 -21.120 1.00 0.00 N ATOM 2568 CA ASP B 69 12.750 11.940 -20.237 1.00 0.00 C ATOM 2569 C ASP B 69 11.994 11.548 -18.967 1.00 0.00 C ATOM 2570 O ASP B 69 10.938 12.070 -18.670 1.00 0.00 O ATOM 2571 CB ASP B 69 14.004 12.725 -19.850 1.00 0.00 C ATOM 2572 CG ASP B 69 14.870 12.947 -21.091 1.00 0.00 C ATOM 2573 OD1 ASP B 69 14.594 12.322 -22.101 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.787 13.748 -21.013 1.00 0.00 O ATOM 0 H ASP B 69 12.126 13.789 -21.094 1.00 0.00 H new ATOM 0 HA ASP B 69 13.015 11.031 -20.776 1.00 0.00 H new ATOM 0 HB2 ASP B 69 13.725 13.683 -19.412 1.00 0.00 H new ATOM 0 HB3 ASP B 69 14.568 12.180 -19.093 1.00 0.00 H new ATOM 2579 N PHE B 70 12.547 10.622 -18.215 1.00 0.00 N ATOM 2580 CA PHE B 70 11.908 10.162 -16.952 1.00 0.00 C ATOM 2581 C PHE B 70 11.337 11.365 -16.208 1.00 0.00 C ATOM 2582 O PHE B 70 10.253 11.317 -15.685 1.00 0.00 O ATOM 2583 CB PHE B 70 12.984 9.496 -16.080 1.00 0.00 C ATOM 2584 CG PHE B 70 12.338 8.599 -15.048 1.00 0.00 C ATOM 2585 CD1 PHE B 70 11.670 9.152 -13.947 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.403 7.210 -15.200 1.00 0.00 C ATOM 2587 CE1 PHE B 70 11.070 8.313 -13.002 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.802 6.373 -14.257 1.00 0.00 C ATOM 2589 CZ PHE B 70 11.135 6.923 -13.158 1.00 0.00 C ATOM 0 H PHE B 70 13.431 10.162 -18.434 1.00 0.00 H new ATOM 0 HA PHE B 70 11.106 9.457 -17.171 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.661 8.914 -16.706 1.00 0.00 H new ATOM 0 HB3 PHE B 70 13.585 10.259 -15.585 1.00 0.00 H new ATOM 0 HD1 PHE B 70 11.619 10.224 -13.828 1.00 0.00 H new ATOM 0 HD2 PHE B 70 12.919 6.784 -16.048 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.557 8.737 -12.152 1.00 0.00 H new ATOM 0 HE2 PHE B 70 11.852 5.301 -14.377 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.670 6.276 -12.429 1.00 0.00 H new ATOM 2599 N GLN B 71 12.069 12.441 -16.167 1.00 0.00 N ATOM 2600 CA GLN B 71 11.578 13.660 -15.464 1.00 0.00 C ATOM 2601 C GLN B 71 10.355 14.240 -16.179 1.00 0.00 C ATOM 2602 O GLN B 71 9.349 14.540 -15.567 1.00 0.00 O ATOM 2603 CB GLN B 71 12.702 14.710 -15.444 1.00 0.00 C ATOM 2604 CG GLN B 71 12.156 16.060 -14.956 1.00 0.00 C ATOM 2605 CD GLN B 71 13.316 17.025 -14.701 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.467 16.641 -14.758 1.00 0.00 O ATOM 2607 NE2 GLN B 71 13.058 18.274 -14.416 1.00 0.00 N ATOM 0 H GLN B 71 12.992 12.530 -16.592 1.00 0.00 H new ATOM 0 HA GLN B 71 11.291 13.392 -14.447 1.00 0.00 H new ATOM 0 HB2 GLN B 71 13.509 14.378 -14.791 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.125 14.820 -16.442 1.00 0.00 H new ATOM 0 HG2 GLN B 71 11.479 16.479 -15.700 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.579 15.921 -14.042 1.00 0.00 H new ATOM 0 HE21 GLN B 71 12.092 18.597 -14.368 1.00 0.00 H new ATOM 0 HE22 GLN B 71 13.823 18.926 -14.242 1.00 0.00 H new ATOM 2616 N GLU B 72 10.451 14.436 -17.460 1.00 0.00 N ATOM 2617 CA GLU B 72 9.315 15.039 -18.210 1.00 0.00 C ATOM 2618 C GLU B 72 8.060 14.174 -18.100 1.00 0.00 C ATOM 2619 O GLU B 72 6.967 14.676 -17.917 1.00 0.00 O ATOM 2620 CB GLU B 72 9.719 15.190 -19.677 1.00 0.00 C ATOM 2621 CG GLU B 72 10.725 16.332 -19.822 1.00 0.00 C ATOM 2622 CD GLU B 72 11.230 16.382 -21.267 1.00 0.00 C ATOM 2623 OE1 GLU B 72 12.214 15.719 -21.552 1.00 0.00 O ATOM 2624 OE2 GLU B 72 10.623 17.077 -22.064 1.00 0.00 O ATOM 0 H GLU B 72 11.269 14.205 -18.024 1.00 0.00 H new ATOM 0 HA GLU B 72 9.085 16.014 -17.781 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.156 14.260 -20.041 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.838 15.389 -20.288 1.00 0.00 H new ATOM 0 HG2 GLU B 72 10.257 17.280 -19.555 1.00 0.00 H new ATOM 0 HG3 GLU B 72 11.561 16.185 -19.138 1.00 0.00 H new ATOM 2631 N PHE B 73 8.197 12.888 -18.197 1.00 0.00 N ATOM 2632 CA PHE B 73 7.000 12.016 -18.085 1.00 0.00 C ATOM 2633 C PHE B 73 6.451 12.097 -16.666 1.00 0.00 C ATOM 2634 O PHE B 73 5.260 12.038 -16.444 1.00 0.00 O ATOM 2635 CB PHE B 73 7.378 10.565 -18.389 1.00 0.00 C ATOM 2636 CG PHE B 73 6.167 9.689 -18.170 1.00 0.00 C ATOM 2637 CD1 PHE B 73 5.916 9.162 -16.899 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.288 9.420 -19.226 1.00 0.00 C ATOM 2639 CE1 PHE B 73 4.790 8.361 -16.681 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.158 8.620 -19.008 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.911 8.090 -17.735 1.00 0.00 C ATOM 0 H PHE B 73 9.081 12.402 -18.348 1.00 0.00 H new ATOM 0 HA PHE B 73 6.247 12.351 -18.799 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.728 10.474 -19.417 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.196 10.245 -17.744 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.593 9.374 -16.084 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.480 9.828 -20.207 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.599 7.952 -15.700 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.478 8.412 -19.821 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.041 7.472 -17.567 1.00 0.00 H new ATOM 2651 N MET B 74 7.324 12.196 -15.708 1.00 0.00 N ATOM 2652 CA MET B 74 6.894 12.238 -14.284 1.00 0.00 C ATOM 2653 C MET B 74 5.987 13.443 -14.024 1.00 0.00 C ATOM 2654 O MET B 74 5.035 13.372 -13.265 1.00 0.00 O ATOM 2655 CB MET B 74 8.140 12.310 -13.377 1.00 0.00 C ATOM 2656 CG MET B 74 7.884 11.558 -12.069 1.00 0.00 C ATOM 2657 SD MET B 74 6.463 12.290 -11.220 1.00 0.00 S ATOM 2658 CE MET B 74 5.884 10.790 -10.384 1.00 0.00 C ATOM 0 H MET B 74 8.332 12.250 -15.852 1.00 0.00 H new ATOM 0 HA MET B 74 6.328 11.333 -14.060 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.999 11.879 -13.891 1.00 0.00 H new ATOM 0 HB3 MET B 74 8.385 13.351 -13.165 1.00 0.00 H new ATOM 0 HG2 MET B 74 7.695 10.504 -12.274 1.00 0.00 H new ATOM 0 HG3 MET B 74 8.766 11.606 -11.431 1.00 0.00 H new ATOM 0 HE1 MET B 74 5.594 11.032 -9.361 1.00 0.00 H new ATOM 0 HE2 MET B 74 5.025 10.384 -10.918 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.684 10.050 -10.369 1.00 0.00 H new ATOM 2668 N ALA B 75 6.294 14.561 -14.605 1.00 0.00 N ATOM 2669 CA ALA B 75 5.468 15.767 -14.338 1.00 0.00 C ATOM 2670 C ALA B 75 4.079 15.643 -14.964 1.00 0.00 C ATOM 2671 O ALA B 75 3.111 16.163 -14.445 1.00 0.00 O ATOM 2672 CB ALA B 75 6.173 17.006 -14.892 1.00 0.00 C ATOM 0 H ALA B 75 7.074 14.695 -15.249 1.00 0.00 H new ATOM 0 HA ALA B 75 5.345 15.861 -13.259 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.565 17.889 -14.695 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.144 17.119 -14.409 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.313 16.895 -15.967 1.00 0.00 H new ATOM 2678 N PHE B 76 3.964 14.974 -16.066 1.00 0.00 N ATOM 2679 CA PHE B 76 2.624 14.841 -16.711 1.00 0.00 C ATOM 2680 C PHE B 76 1.701 14.007 -15.832 1.00 0.00 C ATOM 2681 O PHE B 76 0.520 14.252 -15.754 1.00 0.00 O ATOM 2682 CB PHE B 76 2.789 14.202 -18.090 1.00 0.00 C ATOM 2683 CG PHE B 76 1.445 13.819 -18.666 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.709 14.745 -19.416 1.00 0.00 C ATOM 2685 CD2 PHE B 76 0.940 12.531 -18.454 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -0.532 14.381 -19.954 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -0.298 12.166 -18.993 1.00 0.00 C ATOM 2688 CZ PHE B 76 -1.035 13.091 -19.743 1.00 0.00 C ATOM 0 H PHE B 76 4.732 14.512 -16.553 1.00 0.00 H new ATOM 0 HA PHE B 76 2.175 15.827 -16.831 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.293 14.898 -18.761 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.422 13.318 -18.013 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.098 15.739 -19.579 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.507 11.818 -17.874 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -1.101 15.095 -20.531 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -0.685 11.171 -18.831 1.00 0.00 H new ATOM 0 HZ PHE B 76 -1.991 12.810 -20.159 1.00 0.00 H new ATOM 2698 N VAL B 77 2.229 13.023 -15.184 1.00 0.00 N ATOM 2699 CA VAL B 77 1.387 12.156 -14.310 1.00 0.00 C ATOM 2700 C VAL B 77 0.775 12.994 -13.188 1.00 0.00 C ATOM 2701 O VAL B 77 -0.360 12.799 -12.812 1.00 0.00 O ATOM 2702 CB VAL B 77 2.249 11.024 -13.708 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.434 9.730 -13.591 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.458 10.790 -14.606 1.00 0.00 C ATOM 0 H VAL B 77 3.217 12.772 -15.217 1.00 0.00 H new ATOM 0 HA VAL B 77 0.587 11.716 -14.906 1.00 0.00 H new ATOM 0 HB VAL B 77 2.576 11.316 -12.710 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.058 8.944 -13.165 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.573 9.900 -12.945 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.091 9.425 -14.580 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.072 9.992 -14.189 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.121 10.505 -15.603 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.046 11.705 -14.670 1.00 0.00 H new ATOM 2714 N SER B 78 1.522 13.906 -12.632 1.00 0.00 N ATOM 2715 CA SER B 78 0.960 14.725 -11.519 1.00 0.00 C ATOM 2716 C SER B 78 -0.171 15.608 -12.054 1.00 0.00 C ATOM 2717 O SER B 78 -1.182 15.804 -11.410 1.00 0.00 O ATOM 2718 CB SER B 78 2.073 15.596 -10.901 1.00 0.00 C ATOM 2719 OG SER B 78 3.136 15.726 -11.835 1.00 0.00 O ATOM 0 H SER B 78 2.484 14.119 -12.894 1.00 0.00 H new ATOM 0 HA SER B 78 0.560 14.067 -10.747 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.680 16.579 -10.640 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.436 15.143 -9.979 1.00 0.00 H new ATOM 0 HG SER B 78 3.793 16.369 -11.496 1.00 0.00 H new ATOM 2725 N MET B 79 0.007 16.150 -13.219 1.00 0.00 N ATOM 2726 CA MET B 79 -1.035 17.036 -13.803 1.00 0.00 C ATOM 2727 C MET B 79 -2.333 16.263 -14.077 1.00 0.00 C ATOM 2728 O MET B 79 -3.421 16.755 -13.837 1.00 0.00 O ATOM 2729 CB MET B 79 -0.491 17.600 -15.112 1.00 0.00 C ATOM 2730 CG MET B 79 0.633 18.603 -14.824 1.00 0.00 C ATOM 2731 SD MET B 79 1.628 18.869 -16.319 1.00 0.00 S ATOM 2732 CE MET B 79 0.276 18.973 -17.520 1.00 0.00 C ATOM 0 H MET B 79 0.836 16.018 -13.799 1.00 0.00 H new ATOM 0 HA MET B 79 -1.267 17.835 -13.098 1.00 0.00 H new ATOM 0 HB2 MET B 79 -0.116 16.791 -15.738 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.292 18.088 -15.668 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.209 19.549 -14.486 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.265 18.231 -14.018 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.622 19.492 -18.414 1.00 0.00 H new ATOM 0 HE2 MET B 79 -0.051 17.968 -17.788 1.00 0.00 H new ATOM 0 HE3 MET B 79 -0.558 19.522 -17.082 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.233 15.063 -14.573 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.466 14.271 -14.860 1.00 0.00 C ATOM 2744 C VAL B 80 -4.126 13.874 -13.547 1.00 0.00 C ATOM 2745 O VAL B 80 -5.334 13.793 -13.441 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.121 13.010 -15.647 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.401 12.207 -15.884 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -2.510 13.392 -16.995 1.00 0.00 C ATOM 0 H VAL B 80 -1.354 14.594 -14.793 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.146 14.883 -15.453 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.404 12.414 -15.083 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.165 11.303 -16.446 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.842 11.933 -14.925 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.110 12.811 -16.450 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -2.265 12.488 -17.553 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -3.225 13.987 -17.563 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.603 13.974 -16.832 1.00 0.00 H new ATOM 2758 N THR B 81 -3.338 13.632 -12.542 1.00 0.00 N ATOM 2759 CA THR B 81 -3.911 13.245 -11.229 1.00 0.00 C ATOM 2760 C THR B 81 -4.803 14.380 -10.773 1.00 0.00 C ATOM 2761 O THR B 81 -5.869 14.184 -10.228 1.00 0.00 O ATOM 2762 CB THR B 81 -2.796 13.047 -10.205 1.00 0.00 C ATOM 2763 OG1 THR B 81 -1.920 12.022 -10.648 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.416 12.655 -8.859 1.00 0.00 C ATOM 0 H THR B 81 -2.320 13.686 -12.573 1.00 0.00 H new ATOM 0 HA THR B 81 -4.469 12.313 -11.321 1.00 0.00 H new ATOM 0 HB THR B 81 -2.231 13.972 -10.091 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.396 12.346 -11.410 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.626 12.512 -8.122 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.086 13.446 -8.523 1.00 0.00 H new ATOM 0 HG23 THR B 81 -3.978 11.728 -8.973 1.00 0.00 H new ATOM 2772 N THR B 82 -4.356 15.574 -11.000 1.00 0.00 N ATOM 2773 CA THR B 82 -5.143 16.758 -10.601 1.00 0.00 C ATOM 2774 C THR B 82 -6.545 16.621 -11.207 1.00 0.00 C ATOM 2775 O THR B 82 -7.544 16.894 -10.568 1.00 0.00 O ATOM 2776 CB THR B 82 -4.415 18.008 -11.145 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.066 17.664 -11.428 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.432 19.122 -10.100 1.00 0.00 C ATOM 0 H THR B 82 -3.465 15.782 -11.452 1.00 0.00 H new ATOM 0 HA THR B 82 -5.239 16.846 -9.519 1.00 0.00 H new ATOM 0 HB THR B 82 -4.919 18.355 -12.047 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.522 18.478 -11.464 1.00 0.00 H new ATOM 0 HG21 THR B 82 -3.916 19.998 -10.494 1.00 0.00 H new ATOM 0 HG22 THR B 82 -5.463 19.384 -9.864 1.00 0.00 H new ATOM 0 HG23 THR B 82 -3.928 18.780 -9.196 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.627 16.158 -12.424 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.961 15.959 -13.052 1.00 0.00 C ATOM 2788 C ALA B 83 -8.747 14.954 -12.212 1.00 0.00 C ATOM 2789 O ALA B 83 -9.928 15.098 -11.996 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.789 15.429 -14.479 1.00 0.00 C ATOM 0 H ALA B 83 -5.829 15.910 -13.009 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.499 16.906 -13.096 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.769 15.285 -14.934 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.217 16.147 -15.067 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.258 14.477 -14.452 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.098 13.934 -11.734 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.813 12.926 -10.907 1.00 0.00 C ATOM 2798 C CYS B 84 -9.402 13.611 -9.670 1.00 0.00 C ATOM 2799 O CYS B 84 -10.431 13.211 -9.163 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.840 11.829 -10.471 1.00 0.00 C ATOM 2801 SG CYS B 84 -8.758 10.507 -9.643 1.00 0.00 S ATOM 0 H CYS B 84 -7.105 13.754 -11.879 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.615 12.479 -11.494 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.310 11.432 -11.337 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.088 12.241 -9.798 1.00 0.00 H new ATOM 0 HG CYS B 84 -9.824 11.001 -9.087 1.00 0.00 H new ATOM 2807 N HIS B 85 -8.760 14.639 -9.172 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.303 15.327 -7.966 1.00 0.00 C ATOM 2809 C HIS B 85 -10.700 15.869 -8.262 1.00 0.00 C ATOM 2810 O HIS B 85 -11.623 15.646 -7.508 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.391 16.492 -7.573 1.00 0.00 C ATOM 2812 CG HIS B 85 -8.956 17.176 -6.357 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -9.080 16.776 -5.049 1.00 0.00 N flip ATOM 2814 CD2 HIS B 85 -9.509 18.448 -6.417 1.00 0.00 C flip ATOM 2815 CE1 HIS B 85 -9.698 17.781 -4.313 1.00 0.00 C flip ATOM 2816 NE2 HIS B 85 -9.936 18.765 -5.181 1.00 0.00 N flip ATOM 0 H HIS B 85 -7.893 15.026 -9.545 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.353 14.609 -7.147 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.385 16.128 -7.365 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.310 17.200 -8.398 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.583 19.070 -7.297 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -9.935 17.767 -3.260 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -10.386 19.648 -4.938 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.880 16.573 -9.347 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.242 17.104 -9.646 1.00 0.00 C ATOM 2827 C GLU B 86 -13.204 15.921 -9.823 1.00 0.00 C ATOM 2828 O GLU B 86 -14.363 15.984 -9.462 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.202 18.002 -10.905 1.00 0.00 C ATOM 2830 CG GLU B 86 -12.387 17.181 -12.195 1.00 0.00 C ATOM 2831 CD GLU B 86 -13.879 16.962 -12.464 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -14.567 17.940 -12.703 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -14.307 15.820 -12.425 1.00 0.00 O ATOM 0 H GLU B 86 -10.157 16.801 -10.029 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.595 17.722 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -12.985 18.757 -10.839 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.250 18.532 -10.944 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -11.929 17.701 -13.036 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -11.881 16.220 -12.101 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.720 14.842 -10.373 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.576 13.641 -10.581 1.00 0.00 C ATOM 2842 C PHE B 87 -13.690 12.854 -9.272 1.00 0.00 C ATOM 2843 O PHE B 87 -14.605 12.078 -9.082 1.00 0.00 O ATOM 2844 CB PHE B 87 -12.951 12.761 -11.666 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.807 11.538 -11.888 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.843 11.568 -12.830 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -13.566 10.374 -11.149 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.637 10.433 -13.033 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -14.360 9.239 -11.352 1.00 0.00 C ATOM 2850 CZ PHE B 87 -15.395 9.268 -12.294 1.00 0.00 C ATOM 0 H PHE B 87 -11.756 14.741 -10.691 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.573 13.951 -10.894 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.857 13.324 -12.595 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -11.945 12.463 -11.371 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -15.029 12.466 -13.400 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -12.767 10.351 -10.422 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -16.436 10.456 -13.759 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -14.174 8.341 -10.782 1.00 0.00 H new ATOM 0 HZ PHE B 87 -16.007 8.392 -12.451 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.764 13.044 -8.371 1.00 0.00 N ATOM 2861 CA PHE B 88 -12.812 12.305 -7.081 1.00 0.00 C ATOM 2862 C PHE B 88 -13.788 13.009 -6.138 1.00 0.00 C ATOM 2863 O PHE B 88 -14.108 12.513 -5.076 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.414 12.287 -6.451 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.410 11.369 -5.250 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -11.812 11.857 -4.000 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.009 10.032 -5.384 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -11.818 11.010 -2.886 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.014 9.186 -4.267 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.420 9.675 -3.019 1.00 0.00 C ATOM 0 H PHE B 88 -11.975 13.682 -8.475 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.143 11.281 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.679 11.949 -7.182 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.126 13.295 -6.152 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.118 12.888 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.697 9.655 -6.347 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.130 11.387 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.705 8.156 -4.369 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.426 9.022 -2.159 1.00 0.00 H new ATOM 3114 N ARG X 104 20.910 19.579 3.225 1.00 0.00 N ATOM 3115 CA ARG X 104 19.857 18.608 2.827 1.00 0.00 C ATOM 3116 C ARG X 104 18.947 19.250 1.780 1.00 0.00 C ATOM 3117 O ARG X 104 18.532 18.616 0.830 1.00 0.00 O ATOM 3118 CB ARG X 104 19.028 18.209 4.055 1.00 0.00 C ATOM 3119 CG ARG X 104 17.767 17.412 3.618 1.00 0.00 C ATOM 3120 CD ARG X 104 16.521 18.318 3.653 1.00 0.00 C ATOM 3121 NE ARG X 104 15.278 17.490 3.492 1.00 0.00 N ATOM 3122 CZ ARG X 104 15.097 16.707 2.460 1.00 0.00 C ATOM 3123 NH1 ARG X 104 15.907 16.749 1.438 1.00 0.00 N ATOM 3124 NH2 ARG X 104 14.060 15.916 2.429 1.00 0.00 N ATOM 0 HA ARG X 104 20.325 17.717 2.407 1.00 0.00 H new ATOM 0 HB2 ARG X 104 19.633 17.604 4.730 1.00 0.00 H new ATOM 0 HB3 ARG X 104 18.730 19.101 4.607 1.00 0.00 H new ATOM 0 HG2 ARG X 104 17.909 17.017 2.612 1.00 0.00 H new ATOM 0 HG3 ARG X 104 17.622 16.557 4.279 1.00 0.00 H new ATOM 0 HD2 ARG X 104 16.485 18.864 4.596 1.00 0.00 H new ATOM 0 HD3 ARG X 104 16.579 19.060 2.857 1.00 0.00 H new ATOM 0 HE ARG X 104 14.554 17.540 4.209 1.00 0.00 H new ATOM 0 HH11 ARG X 104 16.694 17.398 1.437 1.00 0.00 H new ATOM 0 HH12 ARG X 104 15.754 16.132 0.640 1.00 0.00 H new ATOM 0 HH21 ARG X 104 13.399 15.912 3.205 1.00 0.00 H new ATOM 0 HH22 ARG X 104 13.911 15.302 1.628 1.00 0.00 H new ATOM 3138 N HIS X 105 18.629 20.504 1.950 1.00 0.00 N ATOM 3139 CA HIS X 105 17.741 21.182 0.968 1.00 0.00 C ATOM 3140 C HIS X 105 18.395 21.144 -0.408 1.00 0.00 C ATOM 3141 O HIS X 105 17.746 20.929 -1.409 1.00 0.00 O ATOM 3142 CB HIS X 105 17.535 22.637 1.391 1.00 0.00 C ATOM 3143 CG HIS X 105 16.656 23.335 0.390 1.00 0.00 C ATOM 3144 ND1 HIS X 105 15.271 23.316 0.473 1.00 0.00 N ATOM 3145 CD2 HIS X 105 16.954 24.085 -0.720 1.00 0.00 C ATOM 3146 CE1 HIS X 105 14.793 24.039 -0.557 1.00 0.00 C ATOM 3147 NE2 HIS X 105 15.778 24.526 -1.312 1.00 0.00 N ATOM 0 H HIS X 105 18.946 21.086 2.725 1.00 0.00 H new ATOM 0 HA HIS X 105 16.778 20.673 0.931 1.00 0.00 H new ATOM 0 HB2 HIS X 105 17.079 22.677 2.380 1.00 0.00 H new ATOM 0 HB3 HIS X 105 18.497 23.145 1.462 1.00 0.00 H new ATOM 0 HD1 HIS X 105 14.716 22.841 1.185 1.00 0.00 H new ATOM 0 HD2 HIS X 105 17.950 24.299 -1.078 1.00 0.00 H new ATOM 0 HE1 HIS X 105 13.743 24.204 -0.748 1.00 0.00 H new ATOM 3156 N LYS X 106 19.678 21.342 -0.460 1.00 0.00 N ATOM 3157 CA LYS X 106 20.384 21.311 -1.766 1.00 0.00 C ATOM 3158 C LYS X 106 20.222 19.920 -2.387 1.00 0.00 C ATOM 3159 O LYS X 106 20.159 19.769 -3.592 1.00 0.00 O ATOM 3160 CB LYS X 106 21.873 21.608 -1.549 1.00 0.00 C ATOM 3161 CG LYS X 106 22.052 22.999 -0.909 1.00 0.00 C ATOM 3162 CD LYS X 106 21.991 24.117 -1.968 1.00 0.00 C ATOM 3163 CE LYS X 106 23.144 23.979 -2.985 1.00 0.00 C ATOM 3164 NZ LYS X 106 24.282 23.232 -2.375 1.00 0.00 N ATOM 0 H LYS X 106 20.271 21.525 0.349 1.00 0.00 H new ATOM 0 HA LYS X 106 19.962 22.063 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS X 106 22.313 20.845 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS X 106 22.402 21.567 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS X 106 21.275 23.160 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS X 106 23.008 23.041 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS X 106 21.035 24.077 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS X 106 22.047 25.090 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS X 106 22.793 23.458 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS X 106 23.477 24.966 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 25.125 23.333 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 24.482 23.616 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 24.033 22.225 -2.294 1.00 0.00 H new ATOM 3178 N LYS X 107 20.175 18.899 -1.574 1.00 0.00 N ATOM 3179 CA LYS X 107 20.041 17.520 -2.122 1.00 0.00 C ATOM 3180 C LYS X 107 18.746 17.393 -2.933 1.00 0.00 C ATOM 3181 O LYS X 107 18.743 16.809 -3.992 1.00 0.00 O ATOM 3182 CB LYS X 107 20.011 16.511 -0.969 1.00 0.00 C ATOM 3183 CG LYS X 107 19.993 15.087 -1.535 1.00 0.00 C ATOM 3184 CD LYS X 107 19.964 14.072 -0.391 1.00 0.00 C ATOM 3185 CE LYS X 107 20.011 12.656 -0.969 1.00 0.00 C ATOM 3186 NZ LYS X 107 18.819 12.430 -1.836 1.00 0.00 N ATOM 0 H LYS X 107 20.224 18.961 -0.557 1.00 0.00 H new ATOM 0 HA LYS X 107 20.892 17.317 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS X 107 20.883 16.648 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.131 16.678 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS X 107 19.121 14.952 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS X 107 20.873 14.922 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS X 107 20.812 14.233 0.275 1.00 0.00 H new ATOM 0 HD3 LYS X 107 19.061 14.204 0.205 1.00 0.00 H new ATOM 0 HE2 LYS X 107 20.925 12.518 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS X 107 20.031 11.923 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 18.673 11.409 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 17.979 12.846 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 18.973 12.878 -2.762 1.00 0.00 H new ATOM 3200 N LEU X 108 17.650 17.922 -2.449 1.00 0.00 N ATOM 3201 CA LEU X 108 16.366 17.811 -3.215 1.00 0.00 C ATOM 3202 C LEU X 108 16.418 18.751 -4.433 1.00 0.00 C ATOM 3203 O LEU X 108 15.808 18.511 -5.456 1.00 0.00 O ATOM 3204 CB LEU X 108 15.176 18.186 -2.303 1.00 0.00 C ATOM 3205 CG LEU X 108 13.900 17.427 -2.744 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.862 16.039 -2.096 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.651 18.211 -2.318 1.00 0.00 C ATOM 0 H LEU X 108 17.586 18.423 -1.563 1.00 0.00 H new ATOM 0 HA LEU X 108 16.233 16.785 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.412 17.943 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.001 19.261 -2.346 1.00 0.00 H new ATOM 0 HG LEU X 108 13.916 17.322 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU X 108 12.961 15.514 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.740 15.470 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU X 108 13.858 16.144 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU X 108 11.758 17.671 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.645 18.324 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU X 108 12.662 19.196 -2.785 1.00 0.00 H new ATOM 3219 N MET X 109 17.145 19.823 -4.323 1.00 0.00 N ATOM 3220 CA MET X 109 17.245 20.791 -5.451 1.00 0.00 C ATOM 3221 C MET X 109 17.752 20.094 -6.716 1.00 0.00 C ATOM 3222 O MET X 109 17.519 20.561 -7.810 1.00 0.00 O ATOM 3223 CB MET X 109 18.172 21.946 -5.068 1.00 0.00 C ATOM 3224 CG MET X 109 17.477 22.813 -4.016 1.00 0.00 C ATOM 3225 SD MET X 109 16.174 23.795 -4.816 1.00 0.00 S ATOM 3226 CE MET X 109 14.729 23.068 -3.993 1.00 0.00 C ATOM 0 H MET X 109 17.681 20.075 -3.492 1.00 0.00 H new ATOM 0 HA MET X 109 16.252 21.190 -5.658 1.00 0.00 H new ATOM 0 HB2 MET X 109 19.113 21.560 -4.676 1.00 0.00 H new ATOM 0 HB3 MET X 109 18.414 22.542 -5.948 1.00 0.00 H new ATOM 0 HG2 MET X 109 17.048 22.185 -3.236 1.00 0.00 H new ATOM 0 HG3 MET X 109 18.200 23.471 -3.534 1.00 0.00 H new ATOM 0 HE1 MET X 109 13.974 23.839 -3.835 1.00 0.00 H new ATOM 0 HE2 MET X 109 14.314 22.277 -4.618 1.00 0.00 H new ATOM 0 HE3 MET X 109 15.029 22.651 -3.032 1.00 0.00 H new ATOM 3236 N PHE X 110 18.459 19.000 -6.582 1.00 0.00 N ATOM 3237 CA PHE X 110 18.992 18.290 -7.796 1.00 0.00 C ATOM 3238 C PHE X 110 17.932 18.305 -8.910 1.00 0.00 C ATOM 3239 O PHE X 110 18.208 18.624 -10.050 1.00 0.00 O ATOM 3240 CB PHE X 110 19.337 16.831 -7.420 1.00 0.00 C ATOM 3241 CG PHE X 110 18.109 15.932 -7.514 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.128 15.961 -6.514 1.00 0.00 C ATOM 3243 CD2 PHE X 110 17.960 15.064 -8.606 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.007 15.131 -6.603 1.00 0.00 C ATOM 3245 CE2 PHE X 110 16.835 14.233 -8.694 1.00 0.00 C ATOM 3246 CZ PHE X 110 15.859 14.269 -7.690 1.00 0.00 C ATOM 0 H PHE X 110 18.692 18.565 -5.689 1.00 0.00 H new ATOM 0 HA PHE X 110 19.889 18.795 -8.153 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.117 16.456 -8.083 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.738 16.799 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.238 16.627 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.713 15.036 -9.380 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.254 15.157 -5.829 1.00 0.00 H new ATOM 0 HE2 PHE X 110 16.721 13.565 -9.535 1.00 0.00 H new ATOM 0 HZ PHE X 110 14.992 13.629 -7.757 1.00 0.00 H new ATOM 3256 N LYS X 111 16.723 17.977 -8.565 1.00 0.00 N ATOM 3257 CA LYS X 111 15.619 17.976 -9.559 1.00 0.00 C ATOM 3258 C LYS X 111 15.303 19.425 -9.953 1.00 0.00 C ATOM 3259 O LYS X 111 14.903 19.701 -11.061 1.00 0.00 O ATOM 3260 CB LYS X 111 14.388 17.356 -8.892 1.00 0.00 C ATOM 3261 CG LYS X 111 13.858 18.333 -7.828 1.00 0.00 C ATOM 3262 CD LYS X 111 13.138 17.603 -6.707 1.00 0.00 C ATOM 3263 CE LYS X 111 12.591 18.652 -5.740 1.00 0.00 C ATOM 3264 NZ LYS X 111 11.608 18.016 -4.821 1.00 0.00 N ATOM 0 H LYS X 111 16.448 17.705 -7.621 1.00 0.00 H new ATOM 0 HA LYS X 111 15.898 17.410 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.617 17.153 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS X 111 14.647 16.402 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS X 111 14.687 18.907 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.178 19.046 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.328 16.993 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.820 16.927 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS X 111 13.406 19.095 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.115 19.461 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 11.338 18.693 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 10.763 17.734 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 12.036 17.175 -4.383 1.00 0.00 H new ATOM 3278 N THR X 112 15.457 20.344 -9.029 1.00 0.00 N ATOM 3279 CA THR X 112 15.149 21.774 -9.326 1.00 0.00 C ATOM 3280 C THR X 112 16.082 22.269 -10.428 1.00 0.00 C ATOM 3281 O THR X 112 15.686 23.004 -11.311 1.00 0.00 O ATOM 3282 CB THR X 112 15.342 22.625 -8.064 1.00 0.00 C ATOM 3283 OG1 THR X 112 14.484 22.148 -7.036 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.994 24.084 -8.370 1.00 0.00 C ATOM 0 H THR X 112 15.784 20.162 -8.080 1.00 0.00 H new ATOM 0 HA THR X 112 14.113 21.861 -9.655 1.00 0.00 H new ATOM 0 HB THR X 112 16.380 22.557 -7.739 1.00 0.00 H new ATOM 0 HG1 THR X 112 13.985 22.899 -6.651 1.00 0.00 H new ATOM 0 HG21 THR X 112 15.132 24.687 -7.472 1.00 0.00 H new ATOM 0 HG22 THR X 112 15.646 24.456 -9.160 1.00 0.00 H new ATOM 0 HG23 THR X 112 13.956 24.150 -8.696 1.00 0.00 H new ATOM 3292 N GLU X 113 17.323 21.874 -10.380 1.00 0.00 N ATOM 3293 CA GLU X 113 18.297 22.316 -11.416 1.00 0.00 C ATOM 3294 CB GLU X 113 17.764 21.992 -12.831 1.00 0.00 C ATOM 3295 CG GLU X 113 16.883 20.721 -12.808 1.00 0.00 C ATOM 3296 CD GLU X 113 16.977 19.995 -14.155 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.328 20.639 -15.130 1.00 0.00 O ATOM 3298 OE2 GLU X 113 16.699 18.807 -14.187 1.00 0.00 O ATOM 0 H GLU X 113 17.707 21.259 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.185 22.835 -13.208 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.600 21.848 -13.515 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.206 20.059 -12.005 1.00 0.00 H new ATOM 0 HG3 GLU X 113 15.847 20.990 -12.602 1.00 0.00 H new ATOM 3493 N ARG Y 104 -11.734 16.575 -27.022 1.00 0.00 N ATOM 3494 CA ARG Y 104 -11.288 15.841 -25.807 1.00 0.00 C ATOM 3495 C ARG Y 104 -9.938 16.394 -25.350 1.00 0.00 C ATOM 3496 O ARG Y 104 -9.686 16.551 -24.172 1.00 0.00 O ATOM 3497 CB ARG Y 104 -11.150 14.345 -26.131 1.00 0.00 C ATOM 3498 CG ARG Y 104 -10.442 13.596 -24.967 1.00 0.00 C ATOM 3499 CD ARG Y 104 -8.960 13.349 -25.308 1.00 0.00 C ATOM 3500 NE ARG Y 104 -8.352 12.414 -24.301 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -8.352 12.683 -23.020 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -8.724 13.856 -22.587 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -7.922 11.789 -22.172 1.00 0.00 N ATOM 0 HA ARG Y 104 -12.023 15.970 -25.012 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -12.136 13.912 -26.303 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -10.581 14.218 -27.052 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -10.518 14.181 -24.050 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -10.942 12.645 -24.781 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -8.874 12.926 -26.309 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -8.417 14.294 -25.314 1.00 0.00 H new ATOM 0 HE ARG Y 104 -7.927 11.545 -24.625 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -9.019 14.574 -23.249 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -8.720 14.055 -21.587 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -7.588 10.886 -22.509 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -7.920 11.993 -21.173 1.00 0.00 H new ATOM 3517 N HIS Y 105 -9.067 16.689 -26.276 1.00 0.00 N ATOM 3518 CA HIS Y 105 -7.732 17.229 -25.899 1.00 0.00 C ATOM 3519 C HIS Y 105 -7.915 18.533 -25.133 1.00 0.00 C ATOM 3520 O HIS Y 105 -7.238 18.797 -24.163 1.00 0.00 O ATOM 3521 CB HIS Y 105 -6.920 17.499 -27.164 1.00 0.00 C ATOM 3522 CG HIS Y 105 -5.573 18.048 -26.788 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -4.492 17.230 -26.495 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -5.117 19.336 -26.655 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -3.447 18.028 -26.205 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -3.777 19.317 -26.288 1.00 0.00 N ATOM 0 H HIS Y 105 -9.223 16.579 -27.278 1.00 0.00 H new ATOM 0 HA HIS Y 105 -7.208 16.506 -25.274 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -6.802 16.579 -27.737 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -7.447 18.207 -27.803 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -4.489 16.210 -26.499 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -5.708 20.226 -26.811 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -2.464 17.669 -25.938 1.00 0.00 H new ATOM 3535 N LYS Y 106 -8.837 19.344 -25.559 1.00 0.00 N ATOM 3536 CA LYS Y 106 -9.083 20.631 -24.858 1.00 0.00 C ATOM 3537 C LYS Y 106 -9.516 20.341 -23.419 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.223 21.089 -22.507 1.00 0.00 O ATOM 3539 CB LYS Y 106 -10.189 21.403 -25.588 1.00 0.00 C ATOM 3540 CG LYS Y 106 -9.768 21.694 -27.043 1.00 0.00 C ATOM 3541 CD LYS Y 106 -8.846 22.927 -27.129 1.00 0.00 C ATOM 3542 CE LYS Y 106 -9.572 24.194 -26.634 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -11.044 24.039 -26.812 1.00 0.00 N ATOM 0 H LYS Y 106 -9.435 19.170 -26.367 1.00 0.00 H new ATOM 0 HA LYS Y 106 -8.173 21.230 -24.850 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -11.113 20.825 -25.578 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -10.393 22.339 -25.067 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -9.255 20.825 -27.455 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -10.656 21.859 -27.654 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -7.951 22.759 -26.530 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -8.519 23.070 -28.159 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -9.341 24.369 -25.583 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -9.220 25.065 -27.187 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -11.501 24.972 -26.755 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -11.239 23.614 -27.741 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -11.421 23.423 -26.064 1.00 0.00 H new ATOM 3557 N LYS Y 107 -10.232 19.269 -23.210 1.00 0.00 N ATOM 3558 CA LYS Y 107 -10.702 18.946 -21.834 1.00 0.00 C ATOM 3559 C LYS Y 107 -9.508 18.767 -20.889 1.00 0.00 C ATOM 3560 O LYS Y 107 -9.531 19.246 -19.777 1.00 0.00 O ATOM 3561 CB LYS Y 107 -11.527 17.654 -21.863 1.00 0.00 C ATOM 3562 CG LYS Y 107 -12.094 17.374 -20.467 1.00 0.00 C ATOM 3563 CD LYS Y 107 -12.918 16.085 -20.493 1.00 0.00 C ATOM 3564 CE LYS Y 107 -13.544 15.852 -19.115 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -12.468 15.766 -18.087 1.00 0.00 N ATOM 0 H LYS Y 107 -10.511 18.605 -23.932 1.00 0.00 H new ATOM 0 HA LYS Y 107 -11.318 19.769 -21.472 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -12.339 17.745 -22.585 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -10.904 16.820 -22.187 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -11.282 17.283 -19.746 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.716 18.208 -20.143 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -13.698 16.154 -21.252 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -12.284 15.241 -20.764 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -14.229 16.665 -18.873 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -14.130 14.933 -19.121 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -12.708 15.029 -17.394 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -11.566 15.528 -18.547 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -12.378 16.681 -17.602 1.00 0.00 H new ATOM 3579 N LEU Y 108 -8.472 18.083 -21.309 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.289 17.887 -20.408 1.00 0.00 C ATOM 3581 C LEU Y 108 -6.511 19.211 -20.296 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.871 19.496 -19.304 1.00 0.00 O ATOM 3583 CB LEU Y 108 -6.375 16.778 -20.977 1.00 0.00 C ATOM 3584 CG LEU Y 108 -5.617 16.062 -19.832 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -6.483 14.950 -19.230 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -4.317 15.446 -20.369 1.00 0.00 C ATOM 0 H LEU Y 108 -8.392 17.653 -22.231 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.629 17.585 -19.417 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.972 16.056 -21.533 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.662 17.210 -21.679 1.00 0.00 H new ATOM 0 HG LEU Y 108 -5.387 16.797 -19.061 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -5.935 14.457 -18.427 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -7.402 15.380 -18.832 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -6.728 14.221 -20.003 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -3.790 14.944 -19.558 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.552 14.723 -21.150 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.685 16.233 -20.781 1.00 0.00 H new ATOM 3598 N MET Y 109 -6.566 20.017 -21.313 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.837 21.318 -21.292 1.00 0.00 C ATOM 3600 C MET Y 109 -6.277 22.162 -20.096 1.00 0.00 C ATOM 3601 O MET Y 109 -5.554 23.029 -19.654 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.077 22.076 -22.598 1.00 0.00 C ATOM 3603 CG MET Y 109 -5.340 21.360 -23.732 1.00 0.00 C ATOM 3604 SD MET Y 109 -3.559 21.687 -23.589 1.00 0.00 S ATOM 3605 CE MET Y 109 -2.991 19.997 -23.243 1.00 0.00 C ATOM 0 H MET Y 109 -7.089 19.832 -22.169 1.00 0.00 H new ATOM 0 HA MET Y 109 -4.770 21.117 -21.194 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.144 22.125 -22.814 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -5.723 23.103 -22.508 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -5.530 20.288 -23.685 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -5.709 21.707 -24.697 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.019 19.837 -23.709 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -2.904 19.856 -22.166 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -3.709 19.282 -23.646 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.461 21.938 -19.580 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.945 22.753 -18.415 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.787 22.987 -17.431 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.538 24.090 -16.988 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.091 21.997 -17.705 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.547 20.994 -16.693 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.000 19.775 -17.118 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.598 21.290 -15.323 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.508 18.860 -16.183 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.103 20.371 -14.388 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.558 19.156 -14.820 1.00 0.00 C ATOM 0 H PHE Y 110 -8.114 21.228 -19.912 1.00 0.00 H new ATOM 0 HA PHE Y 110 -8.311 23.717 -18.770 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.742 22.710 -17.200 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.700 21.477 -18.445 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -7.959 19.542 -18.172 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.019 22.227 -14.988 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.088 17.922 -16.516 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.142 20.600 -13.333 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.176 18.448 -14.099 1.00 0.00 H new ATOM 3635 N LYS Y 111 -6.076 21.946 -17.116 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.919 22.065 -16.191 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.799 22.851 -16.888 1.00 0.00 C ATOM 3638 O LYS Y 111 -3.050 23.564 -16.261 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.422 20.649 -15.877 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.769 20.065 -17.141 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.864 18.549 -17.172 1.00 0.00 C ATOM 3642 CE LYS Y 111 -3.127 18.061 -18.419 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -2.920 16.589 -18.334 1.00 0.00 N ATOM 0 H LYS Y 111 -6.249 21.003 -17.465 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.208 22.582 -15.276 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -3.704 20.674 -15.057 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -5.252 20.020 -15.555 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -4.254 20.478 -18.025 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.722 20.365 -17.182 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -3.421 18.120 -16.274 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.907 18.232 -17.196 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -3.701 18.306 -19.312 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -2.167 18.569 -18.508 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -2.526 16.241 -19.232 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -2.259 16.376 -17.560 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -3.830 16.120 -18.151 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.671 22.688 -18.185 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.596 23.402 -18.938 1.00 0.00 C ATOM 3659 C THR Y 112 -2.795 24.910 -18.798 1.00 0.00 C ATOM 3660 O THR Y 112 -1.853 25.663 -18.655 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.641 23.004 -20.419 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -2.479 21.597 -20.531 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -1.504 23.699 -21.171 1.00 0.00 C ATOM 0 H THR Y 112 -4.269 22.088 -18.754 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.624 23.126 -18.529 1.00 0.00 H new ATOM 0 HB THR Y 112 -3.598 23.303 -20.846 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -1.784 21.399 -21.193 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -1.537 23.416 -22.223 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.616 24.780 -21.083 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -0.548 23.398 -20.744 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.020 25.353 -18.852 1.00 0.00 N ATOM 3672 CA GLU Y 113 -4.304 26.811 -18.736 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.675 27.386 -17.447 1.00 0.00 C ATOM 3674 CG GLU Y 113 -3.619 26.310 -16.339 1.00 0.00 C ATOM 3675 CD GLU Y 113 -3.728 26.975 -14.961 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.419 28.151 -14.867 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -4.122 26.296 -14.026 1.00 0.00 O ATOM 0 H GLU Y 113 -4.843 24.763 -18.972 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.670 27.750 -17.658 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -4.257 28.240 -17.102 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -4.431 25.595 -16.473 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -2.686 25.750 -16.410 1.00 0.00 H new