USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1027 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 46 ASN :FLIP amide:sc= -2.2! C(o=-2.6!,f=-1.5!) USER MOD Set 1.2: B 48 GLN :FLIP amide:sc= 0.667 F(o=-2.6,f=-1.5) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -130:sc= -1.27 (180deg=-3.73!) USER MOD Set 2.2: B 43 THR OG1 : rot 177:sc= 0.135 USER MOD Set 2.3: B 49 LYS NZ :NH3+ -117:sc= 0.0805 (180deg=0) USER MOD Set 3.1: A 25 SER OG : rot -177:sc= -1.28 USER MOD Set 3.2: B 27 LYS NZ :NH3+ 165:sc= -0.73 (180deg=-1.61) USER MOD Set 4.1: A 29 LYS NZ :NH3+ -133:sc= 0.0344 (180deg=0) USER MOD Set 4.2: B 24 GLN :FLIP amide:sc= -1.07 F(o=-1.9,f=-1) USER MOD Set 5.1: A 30 SER OG : rot -126:sc= -2.47 USER MOD Set 5.2: B 66 MET CE :methyl -156:sc= -2.07 (180deg=-3.33) USER MOD Single : A 10 GLN :FLIP amide:sc= 0.72 F(o=-0.16,f=0.72) USER MOD Single : A 13 GLN : amide:sc= -0.49 K(o=-0.49,f=-3.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.8! X(o=-2.8!,f=-2.3) USER MOD Single : A 19 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-0.75) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.09! C(o=-2.1!,f=-4.1!) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.56 F(o=-3.5,f=-1.6) USER MOD Single : A 34 HIS : no HE2:sc= -3.82! C(o=-3.8!,f=-5!) USER MOD Single : A 37 GLN : amide:sc= -2.96 K(o=-3,f=-9.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.345) USER MOD Single : A 46 ASN : amide:sc= -3.06! C(o=-3.1!,f=-2.9!) USER MOD Single : A 48 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.2) USER MOD Single : A 56 SER OG : rot -160:sc= -0.779 USER MOD Single : A 58 MET CE :methyl -170:sc= 0 (180deg=-0.0777) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 153:sc= -4.22! (180deg=-6.91!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc=-0.000172 (180deg=-0.000172) USER MOD Single : A 69 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.17) USER MOD Single : B 10 GLN : amide:sc= -0.0365 X(o=-0.037,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.419 K(o=-0.42,f=-2.8!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -1.68! X(o=-1.7!,f=-2) USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.8!) USER MOD Single : B 25 SER OG : rot 180:sc= -1.02 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot -150:sc= -1.52 USER MOD Single : B 34 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-5.9!) USER MOD Single : B 37 GLN : amide:sc= -0.0716 K(o=-0.072,f=-1.6!) USER MOD Single : B 38 THR OG1 : rot 180:sc= -1.45! USER MOD Single : B 45 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.32) USER MOD Single : B 53 ASN : amide:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : B 56 SER OG : rot 180:sc= -0.323 USER MOD Single : B 58 MET CE :methyl -143:sc= -0.251 (180deg=-1.25!) USER MOD Single : B 60 LYS NZ :NH3+ -115:sc= -1.54 (180deg=-4.77!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 164:sc= 0.118 (180deg=0.0312) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -4.009 -17.078 -9.675 1.00 0.00 N ATOM 50 CA ARG A 8 -3.291 -17.396 -8.453 1.00 0.00 C ATOM 51 C ARG A 8 -2.815 -16.113 -7.768 1.00 0.00 C ATOM 52 O ARG A 8 -3.495 -15.090 -7.816 1.00 0.00 O ATOM 53 CB ARG A 8 -2.083 -18.291 -8.740 1.00 0.00 C ATOM 54 CG ARG A 8 -2.447 -19.401 -9.728 1.00 0.00 C ATOM 55 CD ARG A 8 -3.156 -20.556 -9.018 1.00 0.00 C ATOM 56 NE ARG A 8 -2.407 -21.815 -9.227 1.00 0.00 N ATOM 57 CZ ARG A 8 -2.354 -22.473 -10.393 1.00 0.00 C ATOM 58 NH1 ARG A 8 -3.006 -21.995 -11.462 1.00 0.00 N ATOM 59 NH2 ARG A 8 -1.649 -23.608 -10.491 1.00 0.00 N ATOM 0 HA ARG A 8 -3.977 -17.931 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.269 -17.690 -9.146 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.722 -18.731 -7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.092 -19.000 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.544 -19.769 -10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.236 -20.344 -7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.172 -20.660 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.899 -22.206 -8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.542 -21.131 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.966 -22.496 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.152 -23.972 -9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.609 -24.108 -11.379 1.00 0.00 H new ATOM 73 N CYS A 9 -1.649 -16.211 -7.145 1.00 0.00 N ATOM 74 CA CYS A 9 -1.074 -15.071 -6.451 1.00 0.00 C ATOM 75 C CYS A 9 -0.187 -14.307 -7.435 1.00 0.00 C ATOM 76 O CYS A 9 0.408 -14.903 -8.332 1.00 0.00 O ATOM 77 CB CYS A 9 -0.302 -15.500 -5.201 1.00 0.00 C ATOM 78 SG CYS A 9 -1.337 -16.192 -3.860 1.00 0.00 S ATOM 0 H CYS A 9 -1.088 -17.062 -7.107 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.871 -14.417 -6.099 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.441 -16.244 -5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.242 -14.639 -4.813 1.00 0.00 H new ATOM 83 N GLN A 10 -0.125 -12.998 -7.234 1.00 0.00 N ATOM 84 CA GLN A 10 0.680 -12.147 -8.093 1.00 0.00 C ATOM 85 C GLN A 10 2.159 -12.262 -7.720 1.00 0.00 C ATOM 86 O GLN A 10 3.019 -11.697 -8.393 1.00 0.00 O ATOM 87 CB GLN A 10 0.208 -10.693 -8.021 1.00 0.00 C ATOM 88 CG GLN A 10 0.626 -9.918 -9.272 1.00 0.00 C ATOM 89 CD GLN A 10 1.667 -8.848 -8.932 1.00 0.00 C ATOM 90 OE1 GLN A 10 1.145 -7.666 -8.619 1.00 0.00 O flip ATOM 91 NE2 GLN A 10 2.864 -9.082 -8.953 1.00 0.00 N flip ATOM 0 H GLN A 10 -0.619 -12.507 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 10 0.558 -12.484 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.877 -10.664 -7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.627 -10.214 -7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.035 -10.607 -10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.249 -9.449 -9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.197 -10.013 -9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.532 -8.347 -8.721 1.00 0.00 H new ATOM 100 N CYS A 11 2.410 -12.999 -6.648 1.00 0.00 N ATOM 101 CA CYS A 11 3.770 -13.196 -6.177 1.00 0.00 C ATOM 102 C CYS A 11 3.891 -14.625 -5.644 1.00 0.00 C ATOM 103 O CYS A 11 3.099 -15.047 -4.802 1.00 0.00 O ATOM 104 CB CYS A 11 4.160 -12.159 -5.122 1.00 0.00 C ATOM 105 SG CYS A 11 5.644 -11.170 -5.530 1.00 0.00 S ATOM 0 H CYS A 11 1.694 -13.467 -6.092 1.00 0.00 H new ATOM 0 HA CYS A 11 4.467 -13.056 -7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.320 -11.482 -4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.331 -12.671 -4.175 1.00 0.00 H new ATOM 110 N LEU A 12 4.889 -15.331 -6.155 1.00 0.00 N ATOM 111 CA LEU A 12 5.124 -16.704 -5.741 1.00 0.00 C ATOM 112 C LEU A 12 6.123 -16.718 -4.582 1.00 0.00 C ATOM 113 O LEU A 12 6.199 -17.693 -3.835 1.00 0.00 O ATOM 114 CB LEU A 12 5.556 -17.557 -6.935 1.00 0.00 C ATOM 115 CG LEU A 12 4.757 -17.358 -8.225 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.607 -17.692 -9.453 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.455 -18.160 -8.194 1.00 0.00 C ATOM 0 H LEU A 12 5.544 -14.978 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 12 4.202 -17.155 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.605 -17.348 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.491 -18.607 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 12 4.484 -16.305 -8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.016 -17.542 -10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.481 -17.041 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.931 -18.731 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.907 -18.000 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.683 -19.220 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.845 -17.832 -7.352 1.00 0.00 H new ATOM 129 N GLN A 13 6.865 -15.627 -4.469 1.00 0.00 N ATOM 130 CA GLN A 13 7.856 -15.502 -3.414 1.00 0.00 C ATOM 131 C GLN A 13 7.671 -14.180 -2.666 1.00 0.00 C ATOM 132 O GLN A 13 6.899 -13.323 -3.093 1.00 0.00 O ATOM 133 CB GLN A 13 9.274 -15.620 -3.976 1.00 0.00 C ATOM 134 CG GLN A 13 10.147 -16.503 -3.082 1.00 0.00 C ATOM 135 CD GLN A 13 9.804 -17.982 -3.271 1.00 0.00 C ATOM 136 OE1 GLN A 13 8.747 -18.343 -3.762 1.00 0.00 O ATOM 137 NE2 GLN A 13 10.753 -18.815 -2.854 1.00 0.00 N ATOM 0 H GLN A 13 6.800 -14.821 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 13 7.711 -16.320 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.237 -16.039 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.719 -14.629 -4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.199 -16.337 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.005 -16.223 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.615 -18.446 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.619 -19.823 -2.936 1.00 0.00 H new ATOM 146 N THR A 14 8.393 -14.055 -1.562 1.00 0.00 N ATOM 147 CA THR A 14 8.319 -12.852 -0.750 1.00 0.00 C ATOM 148 C THR A 14 9.568 -12.720 0.123 1.00 0.00 C ATOM 149 O THR A 14 10.326 -13.676 0.277 1.00 0.00 O ATOM 150 CB THR A 14 7.018 -12.904 0.053 1.00 0.00 C ATOM 151 OG1 THR A 14 6.962 -14.242 0.538 1.00 0.00 O ATOM 152 CG2 THR A 14 5.777 -12.776 -0.833 1.00 0.00 C ATOM 0 H THR A 14 9.033 -14.768 -1.211 1.00 0.00 H new ATOM 0 HA THR A 14 8.299 -11.956 -1.370 1.00 0.00 H new ATOM 0 HB THR A 14 7.018 -12.105 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.149 -14.363 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.881 -12.819 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.806 -11.824 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.759 -13.593 -1.554 1.00 0.00 H new ATOM 160 N LEU A 15 9.743 -11.527 0.673 1.00 0.00 N ATOM 161 CA LEU A 15 10.887 -11.257 1.527 1.00 0.00 C ATOM 162 C LEU A 15 10.460 -11.364 2.992 1.00 0.00 C ATOM 163 O LEU A 15 9.283 -11.567 3.286 1.00 0.00 O ATOM 164 CB LEU A 15 11.519 -9.911 1.167 1.00 0.00 C ATOM 165 CG LEU A 15 12.203 -9.835 -0.199 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.241 -8.394 -0.714 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.598 -10.463 -0.149 1.00 0.00 C ATOM 0 H LEU A 15 9.111 -10.737 0.544 1.00 0.00 H new ATOM 0 HA LEU A 15 11.667 -12.002 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.743 -9.146 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.253 -9.660 1.933 1.00 0.00 H new ATOM 0 HG LEU A 15 11.614 -10.415 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.732 -8.368 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.223 -8.015 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.794 -7.771 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.063 -10.396 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.211 -9.931 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.515 -11.510 0.143 1.00 0.00 H new ATOM 179 N GLN A 16 11.440 -11.223 3.873 1.00 0.00 N ATOM 180 CA GLN A 16 11.181 -11.301 5.300 1.00 0.00 C ATOM 181 C GLN A 16 11.311 -9.917 5.940 1.00 0.00 C ATOM 182 O GLN A 16 10.864 -9.706 7.067 1.00 0.00 O ATOM 183 CB GLN A 16 12.117 -12.307 5.973 1.00 0.00 C ATOM 184 CG GLN A 16 12.103 -12.136 7.494 1.00 0.00 C ATOM 185 CD GLN A 16 13.179 -11.145 7.944 1.00 0.00 C ATOM 186 OE1 GLN A 16 14.352 -11.283 7.639 1.00 0.00 O ATOM 187 NE2 GLN A 16 12.715 -10.143 8.685 1.00 0.00 N ATOM 0 H GLN A 16 12.415 -11.055 3.625 1.00 0.00 H new ATOM 0 HA GLN A 16 10.159 -11.652 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.813 -13.321 5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.131 -12.173 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.122 -11.784 7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.268 -13.101 7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.720 -10.088 8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.354 -9.429 9.035 1.00 0.00 H new ATOM 196 N GLY A 17 11.924 -9.011 5.194 1.00 0.00 N ATOM 197 CA GLY A 17 12.118 -7.653 5.674 1.00 0.00 C ATOM 198 C GLY A 17 13.424 -7.063 5.137 1.00 0.00 C ATOM 199 O GLY A 17 14.503 -7.379 5.635 1.00 0.00 O ATOM 0 H GLY A 17 12.293 -9.190 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.279 -7.030 5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.133 -7.647 6.764 1.00 0.00 H new ATOM 203 N ILE A 18 13.282 -6.217 4.127 1.00 0.00 N ATOM 204 CA ILE A 18 14.437 -5.580 3.517 1.00 0.00 C ATOM 205 C ILE A 18 14.553 -4.144 4.032 1.00 0.00 C ATOM 206 O ILE A 18 13.573 -3.567 4.498 1.00 0.00 O ATOM 207 CB ILE A 18 14.361 -5.682 1.992 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.910 -7.024 1.504 1.00 0.00 C ATOM 209 CG2 ILE A 18 15.067 -4.498 1.328 1.00 0.00 C ATOM 210 CD1 ILE A 18 16.438 -6.993 1.420 1.00 0.00 C ATOM 0 H ILE A 18 12.385 -5.958 3.716 1.00 0.00 H new ATOM 0 HA ILE A 18 15.353 -6.097 3.803 1.00 0.00 H new ATOM 0 HB ILE A 18 13.312 -5.638 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.595 -7.818 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.493 -7.257 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.999 -4.595 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.591 -3.569 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 18 16.116 -4.486 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.803 -7.959 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.748 -6.214 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.852 -6.784 2.406 1.00 0.00 H new ATOM 222 N HIS A 19 15.761 -3.610 3.931 1.00 0.00 N ATOM 223 CA HIS A 19 16.019 -2.252 4.382 1.00 0.00 C ATOM 224 C HIS A 19 14.991 -1.303 3.765 1.00 0.00 C ATOM 225 O HIS A 19 14.649 -1.430 2.590 1.00 0.00 O ATOM 226 CB HIS A 19 17.462 -1.843 4.077 1.00 0.00 C ATOM 227 CG HIS A 19 18.127 -1.064 5.186 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.206 -1.552 5.902 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.855 0.172 5.694 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.559 -0.643 6.798 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.721 0.425 6.668 1.00 0.00 N ATOM 0 H HIS A 19 16.572 -4.092 3.544 1.00 0.00 H new ATOM 0 HA HIS A 19 15.909 -2.197 5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 19 18.048 -2.740 3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.474 -1.243 3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 19 17.069 0.833 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.369 -0.732 7.507 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.754 1.278 7.227 1.00 0.00 H new ATOM 239 N LEU A 20 14.525 -0.372 4.584 1.00 0.00 N ATOM 240 CA LEU A 20 13.543 0.599 4.134 1.00 0.00 C ATOM 241 C LEU A 20 14.261 1.771 3.462 1.00 0.00 C ATOM 242 O LEU A 20 13.638 2.780 3.134 1.00 0.00 O ATOM 243 CB LEU A 20 12.633 1.017 5.291 1.00 0.00 C ATOM 244 CG LEU A 20 11.701 2.199 5.018 1.00 0.00 C ATOM 245 CD1 LEU A 20 10.998 2.043 3.668 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.705 2.388 6.164 1.00 0.00 C ATOM 0 H LEU A 20 14.810 -0.270 5.558 1.00 0.00 H new ATOM 0 HA LEU A 20 12.885 0.156 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.025 0.159 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.259 1.264 6.148 1.00 0.00 H new ATOM 0 HG LEU A 20 12.305 3.105 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.342 2.897 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.743 1.995 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.408 1.126 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.054 3.235 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.102 1.486 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.248 2.578 7.090 1.00 0.00 H new ATOM 258 N LYS A 21 15.561 1.599 3.277 1.00 0.00 N ATOM 259 CA LYS A 21 16.371 2.630 2.650 1.00 0.00 C ATOM 260 C LYS A 21 16.300 2.474 1.129 1.00 0.00 C ATOM 261 O LYS A 21 16.541 3.428 0.392 1.00 0.00 O ATOM 262 CB LYS A 21 17.796 2.603 3.205 1.00 0.00 C ATOM 263 CG LYS A 21 17.875 3.331 4.548 1.00 0.00 C ATOM 264 CD LYS A 21 18.793 4.552 4.457 1.00 0.00 C ATOM 265 CE LYS A 21 18.282 5.690 5.343 1.00 0.00 C ATOM 266 NZ LYS A 21 19.399 6.571 5.751 1.00 0.00 N ATOM 0 H LYS A 21 16.074 0.761 3.550 1.00 0.00 H new ATOM 0 HA LYS A 21 15.980 3.619 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.123 1.570 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.476 3.071 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.877 3.644 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.245 2.649 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.803 4.276 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.852 4.890 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.532 6.269 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.793 5.279 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.035 7.338 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.101 6.018 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.848 6.977 4.905 1.00 0.00 H new ATOM 280 N ASN A 22 15.968 1.263 0.706 1.00 0.00 N ATOM 281 CA ASN A 22 15.863 0.969 -0.713 1.00 0.00 C ATOM 282 C ASN A 22 14.401 1.094 -1.148 1.00 0.00 C ATOM 283 O ASN A 22 14.113 1.604 -2.230 1.00 0.00 O ATOM 284 CB ASN A 22 16.326 -0.457 -1.017 1.00 0.00 C ATOM 285 CG ASN A 22 17.782 -0.472 -1.486 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.130 0.053 -2.531 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.611 -1.102 -0.658 1.00 0.00 N ATOM 0 H ASN A 22 15.768 0.474 1.321 1.00 0.00 H new ATOM 0 HA ASN A 22 16.495 1.675 -1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.221 -1.075 -0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.688 -0.894 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.604 -1.167 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.254 -1.520 0.201 1.00 0.00 H new ATOM 294 N ILE A 23 13.517 0.620 -0.283 1.00 0.00 N ATOM 295 CA ILE A 23 12.092 0.673 -0.564 1.00 0.00 C ATOM 296 C ILE A 23 11.681 2.123 -0.824 1.00 0.00 C ATOM 297 O ILE A 23 12.050 3.022 -0.069 1.00 0.00 O ATOM 298 CB ILE A 23 11.300 0.001 0.559 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.300 -1.520 0.397 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.881 0.568 0.644 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.705 -2.211 1.701 1.00 0.00 C ATOM 0 H ILE A 23 13.760 0.197 0.613 1.00 0.00 H new ATOM 0 HA ILE A 23 11.861 0.109 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 23 11.794 0.224 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.308 -1.857 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.989 -1.804 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.339 0.073 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.928 1.639 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.363 0.396 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.697 -3.292 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.707 -1.890 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.000 -1.944 2.488 1.00 0.00 H new ATOM 313 N GLN A 24 10.924 2.307 -1.896 1.00 0.00 N ATOM 314 CA GLN A 24 10.459 3.633 -2.265 1.00 0.00 C ATOM 315 C GLN A 24 8.945 3.737 -2.071 1.00 0.00 C ATOM 316 O GLN A 24 8.414 4.830 -1.876 1.00 0.00 O ATOM 317 CB GLN A 24 10.851 3.970 -3.705 1.00 0.00 C ATOM 318 CG GLN A 24 11.239 5.444 -3.837 1.00 0.00 C ATOM 319 CD GLN A 24 10.071 6.354 -3.450 1.00 0.00 C ATOM 320 OE1 GLN A 24 8.955 6.122 -4.134 1.00 0.00 O flip ATOM 321 NE2 GLN A 24 10.178 7.211 -2.588 1.00 0.00 N flip ATOM 0 H GLN A 24 10.621 1.560 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 24 10.941 4.361 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.686 3.341 -4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.019 3.748 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.097 5.657 -3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.544 5.653 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.065 7.336 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.380 7.802 -2.355 1.00 0.00 H new ATOM 330 N SER A 25 8.291 2.586 -2.132 1.00 0.00 N ATOM 331 CA SER A 25 6.849 2.535 -1.965 1.00 0.00 C ATOM 332 C SER A 25 6.411 1.107 -1.632 1.00 0.00 C ATOM 333 O SER A 25 7.159 0.156 -1.856 1.00 0.00 O ATOM 334 CB SER A 25 6.131 3.030 -3.222 1.00 0.00 C ATOM 335 OG SER A 25 7.001 3.079 -4.349 1.00 0.00 O ATOM 0 H SER A 25 8.734 1.682 -2.295 1.00 0.00 H new ATOM 0 HA SER A 25 6.577 3.194 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.290 2.373 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.720 4.023 -3.038 1.00 0.00 H new ATOM 0 HG SER A 25 6.518 3.444 -5.120 1.00 0.00 H new ATOM 341 N VAL A 26 5.201 1.001 -1.102 1.00 0.00 N ATOM 342 CA VAL A 26 4.655 -0.294 -0.735 1.00 0.00 C ATOM 343 C VAL A 26 3.313 -0.495 -1.441 1.00 0.00 C ATOM 344 O VAL A 26 2.486 0.415 -1.482 1.00 0.00 O ATOM 345 CB VAL A 26 4.553 -0.408 0.787 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.724 -1.628 1.191 1.00 0.00 C ATOM 347 CG2 VAL A 26 5.942 -0.451 1.428 1.00 0.00 C ATOM 0 H VAL A 26 4.583 1.792 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 26 5.318 -1.094 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 26 4.042 0.481 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.667 -1.686 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.719 -1.537 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.194 -2.532 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.841 -0.532 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.491 -1.313 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.485 0.462 1.182 1.00 0.00 H new ATOM 357 N LYS A 27 3.137 -1.693 -1.980 1.00 0.00 N ATOM 358 CA LYS A 27 1.909 -2.025 -2.682 1.00 0.00 C ATOM 359 C LYS A 27 1.301 -3.287 -2.068 1.00 0.00 C ATOM 360 O LYS A 27 1.946 -4.334 -2.025 1.00 0.00 O ATOM 361 CB LYS A 27 2.165 -2.134 -4.187 1.00 0.00 C ATOM 362 CG LYS A 27 0.865 -2.410 -4.945 1.00 0.00 C ATOM 363 CD LYS A 27 -0.276 -1.540 -4.413 1.00 0.00 C ATOM 364 CE LYS A 27 -1.313 -1.268 -5.504 1.00 0.00 C ATOM 365 NZ LYS A 27 -0.718 -0.468 -6.598 1.00 0.00 N ATOM 0 H LYS A 27 3.825 -2.446 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 27 1.175 -1.228 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.613 -1.210 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.880 -2.933 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.011 -2.215 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.600 -3.463 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.753 -2.037 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.124 -0.596 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.690 -2.211 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.165 -0.737 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.333 0.344 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.220 -0.125 -6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.622 -1.060 -7.448 1.00 0.00 H new ATOM 379 N VAL A 28 0.066 -3.148 -1.609 1.00 0.00 N ATOM 380 CA VAL A 28 -0.636 -4.264 -0.999 1.00 0.00 C ATOM 381 C VAL A 28 -1.761 -4.722 -1.929 1.00 0.00 C ATOM 382 O VAL A 28 -2.694 -3.968 -2.199 1.00 0.00 O ATOM 383 CB VAL A 28 -1.134 -3.872 0.394 1.00 0.00 C ATOM 384 CG1 VAL A 28 -2.223 -4.832 0.877 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.024 -3.808 1.392 1.00 0.00 C ATOM 0 H VAL A 28 -0.467 -2.279 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 28 0.038 -5.110 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.572 -2.876 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.559 -4.531 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.065 -4.805 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.822 -5.845 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.357 -3.527 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.505 -4.784 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.751 -3.067 1.059 1.00 0.00 H new ATOM 395 N LYS A 29 -1.636 -5.957 -2.394 1.00 0.00 N ATOM 396 CA LYS A 29 -2.630 -6.524 -3.288 1.00 0.00 C ATOM 397 C LYS A 29 -3.385 -7.640 -2.562 1.00 0.00 C ATOM 398 O LYS A 29 -3.068 -8.818 -2.727 1.00 0.00 O ATOM 399 CB LYS A 29 -1.980 -6.973 -4.598 1.00 0.00 C ATOM 400 CG LYS A 29 -3.017 -7.080 -5.717 1.00 0.00 C ATOM 401 CD LYS A 29 -3.770 -8.410 -5.642 1.00 0.00 C ATOM 402 CE LYS A 29 -3.755 -9.126 -6.994 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.673 -8.459 -7.944 1.00 0.00 N ATOM 0 H LYS A 29 -0.861 -6.580 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.365 -5.769 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.203 -6.264 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.494 -7.938 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.724 -6.253 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.523 -6.992 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.315 -9.047 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.800 -8.232 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.743 -9.130 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.050 -10.167 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.261 -9.174 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.284 -7.795 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.120 -7.939 -8.655 1.00 0.00 H new ATOM 417 N SER A 30 -4.368 -7.231 -1.774 1.00 0.00 N ATOM 418 CA SER A 30 -5.170 -8.181 -1.023 1.00 0.00 C ATOM 419 C SER A 30 -5.514 -9.386 -1.901 1.00 0.00 C ATOM 420 O SER A 30 -5.415 -9.314 -3.125 1.00 0.00 O ATOM 421 CB SER A 30 -6.448 -7.527 -0.495 1.00 0.00 C ATOM 422 OG SER A 30 -6.224 -6.826 0.725 1.00 0.00 O ATOM 0 H SER A 30 -4.627 -6.254 -1.639 1.00 0.00 H new ATOM 0 HA SER A 30 -4.586 -8.519 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.838 -6.837 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.209 -8.292 -0.339 1.00 0.00 H new ATOM 0 HG SER A 30 -6.855 -7.143 1.405 1.00 0.00 H new ATOM 428 N PRO A 31 -5.921 -10.493 -1.225 1.00 0.00 N ATOM 429 CA PRO A 31 -6.280 -11.712 -1.930 1.00 0.00 C ATOM 430 C PRO A 31 -7.649 -11.574 -2.599 1.00 0.00 C ATOM 431 O PRO A 31 -8.413 -10.666 -2.277 1.00 0.00 O ATOM 432 CB PRO A 31 -6.242 -12.804 -0.874 1.00 0.00 C ATOM 433 CG PRO A 31 -6.319 -12.091 0.466 1.00 0.00 C ATOM 434 CD PRO A 31 -6.050 -10.614 0.225 1.00 0.00 C ATOM 0 HA PRO A 31 -5.596 -11.943 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.076 -13.495 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.327 -13.391 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.301 -12.231 0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.587 -12.504 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.865 -9.996 0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.141 -10.289 0.732 1.00 0.00 H new ATOM 442 N GLY A 32 -7.917 -12.490 -3.518 1.00 0.00 N ATOM 443 CA GLY A 32 -9.181 -12.483 -4.236 1.00 0.00 C ATOM 444 C GLY A 32 -9.780 -13.889 -4.305 1.00 0.00 C ATOM 445 O GLY A 32 -9.456 -14.747 -3.485 1.00 0.00 O ATOM 0 H GLY A 32 -7.281 -13.242 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.881 -11.810 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.028 -12.099 -5.245 1.00 0.00 H new ATOM 449 N PRO A 33 -10.667 -14.087 -5.317 1.00 0.00 N ATOM 450 CA PRO A 33 -11.314 -15.374 -5.504 1.00 0.00 C ATOM 451 C PRO A 33 -10.345 -16.393 -6.107 1.00 0.00 C ATOM 452 O PRO A 33 -10.721 -17.536 -6.364 1.00 0.00 O ATOM 453 CB PRO A 33 -12.508 -15.087 -6.400 1.00 0.00 C ATOM 454 CG PRO A 33 -12.224 -13.747 -7.057 1.00 0.00 C ATOM 455 CD PRO A 33 -11.075 -13.094 -6.307 1.00 0.00 C ATOM 0 HA PRO A 33 -11.636 -15.823 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.632 -15.870 -7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.431 -15.050 -5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.966 -13.884 -8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.109 -13.112 -7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.254 -12.845 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.390 -12.166 -5.830 1.00 0.00 H new ATOM 463 N HIS A 34 -9.117 -15.942 -6.316 1.00 0.00 N ATOM 464 CA HIS A 34 -8.091 -16.800 -6.885 1.00 0.00 C ATOM 465 C HIS A 34 -6.995 -17.046 -5.847 1.00 0.00 C ATOM 466 O HIS A 34 -6.688 -18.192 -5.522 1.00 0.00 O ATOM 467 CB HIS A 34 -7.551 -16.210 -8.189 1.00 0.00 C ATOM 468 CG HIS A 34 -7.532 -14.700 -8.219 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.685 -13.936 -8.255 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.488 -13.822 -8.216 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.339 -12.657 -8.274 1.00 0.00 C ATOM 472 NE2 HIS A 34 -6.977 -12.589 -8.251 1.00 0.00 N ATOM 0 H HIS A 34 -8.809 -14.994 -6.102 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.522 -17.767 -7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.538 -16.579 -8.351 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.158 -16.572 -9.019 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.639 -14.296 -8.265 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.441 -14.086 -8.190 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.016 -11.816 -8.303 1.00 0.00 H new ATOM 480 N CYS A 35 -6.434 -15.951 -5.354 1.00 0.00 N ATOM 481 CA CYS A 35 -5.379 -16.033 -4.359 1.00 0.00 C ATOM 482 C CYS A 35 -5.976 -15.685 -2.995 1.00 0.00 C ATOM 483 O CYS A 35 -6.454 -14.570 -2.789 1.00 0.00 O ATOM 484 CB CYS A 35 -4.196 -15.129 -4.713 1.00 0.00 C ATOM 485 SG CYS A 35 -2.864 -15.081 -3.459 1.00 0.00 S ATOM 0 H CYS A 35 -6.691 -15.002 -5.626 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.980 -17.047 -4.331 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.772 -15.463 -5.660 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.565 -14.115 -4.869 1.00 0.00 H new ATOM 490 N ALA A 36 -5.929 -16.658 -2.097 1.00 0.00 N ATOM 491 CA ALA A 36 -6.460 -16.468 -0.758 1.00 0.00 C ATOM 492 C ALA A 36 -5.340 -15.985 0.166 1.00 0.00 C ATOM 493 O ALA A 36 -5.403 -16.181 1.378 1.00 0.00 O ATOM 494 CB ALA A 36 -7.095 -17.772 -0.271 1.00 0.00 C ATOM 0 H ALA A 36 -5.531 -17.581 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.239 -15.706 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.493 -17.630 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.903 -18.057 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.342 -18.560 -0.254 1.00 0.00 H new ATOM 500 N GLN A 37 -4.341 -15.363 -0.443 1.00 0.00 N ATOM 501 CA GLN A 37 -3.209 -14.850 0.310 1.00 0.00 C ATOM 502 C GLN A 37 -2.868 -13.430 -0.146 1.00 0.00 C ATOM 503 O GLN A 37 -3.144 -13.056 -1.285 1.00 0.00 O ATOM 504 CB GLN A 37 -1.997 -15.774 0.175 1.00 0.00 C ATOM 505 CG GLN A 37 -2.419 -17.244 0.242 1.00 0.00 C ATOM 506 CD GLN A 37 -2.423 -17.877 -1.151 1.00 0.00 C ATOM 507 OE1 GLN A 37 -3.160 -17.481 -2.038 1.00 0.00 O ATOM 508 NE2 GLN A 37 -1.561 -18.880 -1.292 1.00 0.00 N ATOM 0 H GLN A 37 -4.292 -15.203 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.484 -14.816 1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.491 -15.580 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.282 -15.560 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.738 -17.792 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.413 -17.321 0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.973 -19.161 -0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.488 -19.368 -2.185 1.00 0.00 H new ATOM 517 N THR A 38 -2.273 -12.676 0.767 1.00 0.00 N ATOM 518 CA THR A 38 -1.891 -11.305 0.473 1.00 0.00 C ATOM 519 C THR A 38 -0.675 -11.278 -0.455 1.00 0.00 C ATOM 520 O THR A 38 0.090 -12.239 -0.510 1.00 0.00 O ATOM 521 CB THR A 38 -1.658 -10.584 1.802 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.729 -11.029 2.631 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.874 -9.073 1.694 1.00 0.00 C ATOM 0 H THR A 38 -2.046 -12.989 1.711 1.00 0.00 H new ATOM 0 HA THR A 38 -2.681 -10.780 -0.063 1.00 0.00 H new ATOM 0 HB THR A 38 -0.644 -10.782 2.149 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.654 -10.611 3.514 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.696 -8.610 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.182 -8.658 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.898 -8.873 1.379 1.00 0.00 H new ATOM 531 N GLU A 39 -0.535 -10.165 -1.161 1.00 0.00 N ATOM 532 CA GLU A 39 0.575 -10.000 -2.084 1.00 0.00 C ATOM 533 C GLU A 39 1.201 -8.613 -1.918 1.00 0.00 C ATOM 534 O GLU A 39 0.904 -7.698 -2.685 1.00 0.00 O ATOM 535 CB GLU A 39 0.126 -10.229 -3.529 1.00 0.00 C ATOM 536 CG GLU A 39 0.526 -11.624 -4.012 1.00 0.00 C ATOM 537 CD GLU A 39 -0.591 -12.636 -3.751 1.00 0.00 C ATOM 538 OE1 GLU A 39 -1.681 -12.441 -4.330 1.00 0.00 O ATOM 539 OE2 GLU A 39 -0.329 -13.583 -2.978 1.00 0.00 O ATOM 0 H GLU A 39 -1.171 -9.369 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 39 1.331 -10.750 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.955 -10.111 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.572 -9.474 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.751 -11.593 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.436 -11.942 -3.503 1.00 0.00 H new ATOM 546 N VAL A 40 2.055 -8.502 -0.912 1.00 0.00 N ATOM 547 CA VAL A 40 2.726 -7.243 -0.635 1.00 0.00 C ATOM 548 C VAL A 40 3.865 -7.046 -1.637 1.00 0.00 C ATOM 549 O VAL A 40 4.749 -7.894 -1.752 1.00 0.00 O ATOM 550 CB VAL A 40 3.196 -7.209 0.820 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.861 -5.871 1.151 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.039 -7.497 1.778 1.00 0.00 C ATOM 0 H VAL A 40 2.298 -9.263 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 40 2.037 -6.408 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 40 3.941 -7.995 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.186 -5.874 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.724 -5.723 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.147 -5.062 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.401 -7.467 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.261 -6.745 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.629 -8.485 1.567 1.00 0.00 H new ATOM 562 N ILE A 41 3.808 -5.922 -2.336 1.00 0.00 N ATOM 563 CA ILE A 41 4.825 -5.603 -3.324 1.00 0.00 C ATOM 564 C ILE A 41 5.392 -4.212 -3.035 1.00 0.00 C ATOM 565 O ILE A 41 4.699 -3.208 -3.198 1.00 0.00 O ATOM 566 CB ILE A 41 4.263 -5.756 -4.739 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.457 -7.050 -4.872 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.377 -5.664 -5.784 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.021 -6.758 -5.311 1.00 0.00 C ATOM 0 H ILE A 41 3.074 -5.221 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 41 5.655 -6.306 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 41 3.577 -4.929 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.936 -7.708 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.449 -7.578 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.951 -5.776 -6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.869 -4.695 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.105 -6.456 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.470 -7.694 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.537 -6.119 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.031 -6.252 -6.276 1.00 0.00 H new ATOM 581 N ALA A 42 6.647 -4.196 -2.611 1.00 0.00 N ATOM 582 CA ALA A 42 7.316 -2.944 -2.297 1.00 0.00 C ATOM 583 C ALA A 42 8.195 -2.531 -3.479 1.00 0.00 C ATOM 584 O ALA A 42 8.964 -3.340 -3.998 1.00 0.00 O ATOM 585 CB ALA A 42 8.115 -3.103 -1.002 1.00 0.00 C ATOM 0 H ALA A 42 7.219 -5.030 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 42 6.588 -2.149 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.617 -2.164 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.440 -3.368 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.858 -3.890 -1.127 1.00 0.00 H new ATOM 591 N THR A 43 8.054 -1.273 -3.869 1.00 0.00 N ATOM 592 CA THR A 43 8.826 -0.743 -4.980 1.00 0.00 C ATOM 593 C THR A 43 10.185 -0.238 -4.491 1.00 0.00 C ATOM 594 O THR A 43 10.272 0.415 -3.453 1.00 0.00 O ATOM 595 CB THR A 43 7.987 0.337 -5.666 1.00 0.00 C ATOM 596 OG1 THR A 43 6.935 -0.389 -6.296 1.00 0.00 O ATOM 597 CG2 THR A 43 8.727 1.002 -6.828 1.00 0.00 C ATOM 0 H THR A 43 7.417 -0.605 -3.435 1.00 0.00 H new ATOM 0 HA THR A 43 9.047 -1.518 -5.714 1.00 0.00 H new ATOM 0 HB THR A 43 7.702 1.094 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.341 0.235 -6.764 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.088 1.760 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.639 1.470 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.982 0.250 -7.575 1.00 0.00 H new ATOM 605 N LEU A 44 11.213 -0.559 -5.264 1.00 0.00 N ATOM 606 CA LEU A 44 12.563 -0.146 -4.923 1.00 0.00 C ATOM 607 C LEU A 44 12.808 1.269 -5.452 1.00 0.00 C ATOM 608 O LEU A 44 12.234 1.664 -6.466 1.00 0.00 O ATOM 609 CB LEU A 44 13.581 -1.174 -5.422 1.00 0.00 C ATOM 610 CG LEU A 44 14.632 -1.625 -4.406 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.287 -2.937 -4.840 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.664 -0.523 -4.159 1.00 0.00 C ATOM 0 H LEU A 44 11.137 -1.100 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 44 12.687 -0.108 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.039 -2.054 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.096 -0.755 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 44 14.130 -1.815 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.030 -3.235 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.526 -3.713 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.772 -2.799 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.400 -0.869 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.166 -0.278 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.163 0.365 -3.773 1.00 0.00 H new ATOM 624 N LYS A 45 13.662 1.992 -4.743 1.00 0.00 N ATOM 625 CA LYS A 45 13.990 3.354 -5.129 1.00 0.00 C ATOM 626 C LYS A 45 14.904 3.326 -6.355 1.00 0.00 C ATOM 627 O LYS A 45 15.232 4.372 -6.913 1.00 0.00 O ATOM 628 CB LYS A 45 14.576 4.121 -3.942 1.00 0.00 C ATOM 629 CG LYS A 45 15.474 5.265 -4.417 1.00 0.00 C ATOM 630 CD LYS A 45 14.669 6.305 -5.199 1.00 0.00 C ATOM 631 CE LYS A 45 14.642 7.645 -4.461 1.00 0.00 C ATOM 632 NZ LYS A 45 13.269 8.197 -4.438 1.00 0.00 N ATOM 0 H LYS A 45 14.137 1.660 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 45 13.089 3.896 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.769 4.519 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.150 3.441 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.950 5.739 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.272 4.869 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.106 6.439 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.650 5.946 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.004 7.513 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.315 8.349 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.307 9.213 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.824 8.060 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.710 7.707 -3.711 1.00 0.00 H new ATOM 646 N ASN A 46 15.291 2.118 -6.737 1.00 0.00 N ATOM 647 CA ASN A 46 16.161 1.940 -7.887 1.00 0.00 C ATOM 648 C ASN A 46 15.316 1.579 -9.110 1.00 0.00 C ATOM 649 O ASN A 46 15.825 1.533 -10.229 1.00 0.00 O ATOM 650 CB ASN A 46 17.160 0.805 -7.651 1.00 0.00 C ATOM 651 CG ASN A 46 17.358 -0.024 -8.921 1.00 0.00 C ATOM 652 OD1 ASN A 46 17.876 0.441 -9.923 1.00 0.00 O ATOM 653 ND2 ASN A 46 16.918 -1.276 -8.824 1.00 0.00 N ATOM 0 H ASN A 46 15.018 1.253 -6.271 1.00 0.00 H new ATOM 0 HA ASN A 46 16.704 2.872 -8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.116 1.218 -7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.803 0.163 -6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.005 -1.910 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.494 -1.602 -7.955 1.00 0.00 H new ATOM 660 N GLY A 47 14.040 1.331 -8.855 1.00 0.00 N ATOM 661 CA GLY A 47 13.119 0.976 -9.922 1.00 0.00 C ATOM 662 C GLY A 47 12.722 -0.499 -9.835 1.00 0.00 C ATOM 663 O GLY A 47 11.820 -0.946 -10.541 1.00 0.00 O ATOM 0 H GLY A 47 13.622 1.369 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.228 1.600 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.582 1.175 -10.888 1.00 0.00 H new ATOM 667 N GLN A 48 13.416 -1.215 -8.962 1.00 0.00 N ATOM 668 CA GLN A 48 13.147 -2.630 -8.773 1.00 0.00 C ATOM 669 C GLN A 48 11.973 -2.824 -7.812 1.00 0.00 C ATOM 670 O GLN A 48 11.361 -1.853 -7.370 1.00 0.00 O ATOM 671 CB GLN A 48 14.393 -3.363 -8.271 1.00 0.00 C ATOM 672 CG GLN A 48 15.269 -3.820 -9.439 1.00 0.00 C ATOM 673 CD GLN A 48 16.596 -4.394 -8.938 1.00 0.00 C ATOM 674 OE1 GLN A 48 16.929 -4.324 -7.766 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.332 -4.964 -9.888 1.00 0.00 N ATOM 0 H GLN A 48 14.164 -0.841 -8.378 1.00 0.00 H new ATOM 0 HA GLN A 48 12.876 -3.060 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.967 -2.706 -7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.096 -4.226 -7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.740 -4.574 -10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.461 -2.979 -10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.993 -4.988 -10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.235 -5.377 -9.655 1.00 0.00 H new ATOM 684 N LYS A 49 11.693 -4.085 -7.516 1.00 0.00 N ATOM 685 CA LYS A 49 10.603 -4.418 -6.616 1.00 0.00 C ATOM 686 C LYS A 49 11.009 -5.613 -5.750 1.00 0.00 C ATOM 687 O LYS A 49 11.703 -6.515 -6.217 1.00 0.00 O ATOM 688 CB LYS A 49 9.308 -4.639 -7.400 1.00 0.00 C ATOM 689 CG LYS A 49 8.970 -3.416 -8.256 1.00 0.00 C ATOM 690 CD LYS A 49 9.525 -3.568 -9.673 1.00 0.00 C ATOM 691 CE LYS A 49 8.884 -2.556 -10.625 1.00 0.00 C ATOM 692 NZ LYS A 49 8.522 -3.205 -11.905 1.00 0.00 N ATOM 0 H LYS A 49 12.203 -4.888 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 49 10.401 -3.587 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.410 -5.517 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.490 -4.841 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.889 -3.284 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.383 -2.519 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.606 -3.427 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.339 -4.580 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.994 -2.127 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.575 -1.734 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.088 -2.504 -12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.377 -3.593 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.846 -3.974 -11.725 1.00 0.00 H new ATOM 706 N ALA A 50 10.559 -5.581 -4.505 1.00 0.00 N ATOM 707 CA ALA A 50 10.866 -6.650 -3.570 1.00 0.00 C ATOM 708 C ALA A 50 9.594 -7.047 -2.819 1.00 0.00 C ATOM 709 O ALA A 50 9.095 -6.288 -1.990 1.00 0.00 O ATOM 710 CB ALA A 50 11.983 -6.198 -2.626 1.00 0.00 C ATOM 0 H ALA A 50 9.984 -4.831 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 50 11.224 -7.532 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.213 -7.000 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.874 -5.956 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.658 -5.316 -2.074 1.00 0.00 H new ATOM 716 N CYS A 51 9.104 -8.237 -3.138 1.00 0.00 N ATOM 717 CA CYS A 51 7.899 -8.744 -2.504 1.00 0.00 C ATOM 718 C CYS A 51 8.203 -8.993 -1.025 1.00 0.00 C ATOM 719 O CYS A 51 9.266 -9.508 -0.684 1.00 0.00 O ATOM 720 CB CYS A 51 7.382 -10.005 -3.200 1.00 0.00 C ATOM 721 SG CYS A 51 5.900 -9.752 -4.243 1.00 0.00 S ATOM 0 H CYS A 51 9.520 -8.864 -3.827 1.00 0.00 H new ATOM 0 HA CYS A 51 7.101 -8.007 -2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.180 -10.414 -3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.152 -10.753 -2.442 1.00 0.00 H new ATOM 726 N LEU A 52 7.249 -8.614 -0.187 1.00 0.00 N ATOM 727 CA LEU A 52 7.401 -8.789 1.248 1.00 0.00 C ATOM 728 C LEU A 52 6.393 -9.830 1.739 1.00 0.00 C ATOM 729 O LEU A 52 5.348 -10.029 1.121 1.00 0.00 O ATOM 730 CB LEU A 52 7.294 -7.443 1.966 1.00 0.00 C ATOM 731 CG LEU A 52 8.330 -6.388 1.571 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.864 -4.986 1.970 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.704 -6.723 2.154 1.00 0.00 C ATOM 0 H LEU A 52 6.368 -8.187 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 52 8.395 -9.171 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.300 -7.034 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.374 -7.618 3.039 1.00 0.00 H new ATOM 0 HG LEU A 52 8.430 -6.397 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.618 -4.255 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.924 -4.758 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.717 -4.945 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.421 -5.957 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.639 -6.758 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.032 -7.692 1.778 1.00 0.00 H new ATOM 745 N ASN A 53 6.741 -10.467 2.848 1.00 0.00 N ATOM 746 CA ASN A 53 5.880 -11.483 3.429 1.00 0.00 C ATOM 747 C ASN A 53 4.908 -10.821 4.409 1.00 0.00 C ATOM 748 O ASN A 53 5.326 -10.265 5.423 1.00 0.00 O ATOM 749 CB ASN A 53 6.696 -12.521 4.202 1.00 0.00 C ATOM 750 CG ASN A 53 5.828 -13.715 4.603 1.00 0.00 C ATOM 751 OD1 ASN A 53 4.913 -14.113 3.901 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.163 -14.261 5.767 1.00 0.00 N ATOM 0 H ASN A 53 7.607 -10.299 3.359 1.00 0.00 H new ATOM 0 HA ASN A 53 5.345 -11.976 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.530 -12.863 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.123 -12.062 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.643 -15.063 6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.940 -13.878 6.305 1.00 0.00 H new ATOM 759 N PRO A 54 3.596 -10.906 4.062 1.00 0.00 N ATOM 760 CA PRO A 54 2.562 -10.322 4.898 1.00 0.00 C ATOM 761 C PRO A 54 2.322 -11.173 6.148 1.00 0.00 C ATOM 762 O PRO A 54 1.480 -10.837 6.979 1.00 0.00 O ATOM 763 CB PRO A 54 1.338 -10.226 4.002 1.00 0.00 C ATOM 764 CG PRO A 54 1.592 -11.180 2.846 1.00 0.00 C ATOM 765 CD PRO A 54 3.064 -11.557 2.868 1.00 0.00 C ATOM 0 HA PRO A 54 2.837 -9.339 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.434 -10.502 4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.196 -9.207 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.969 -12.069 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.333 -10.709 1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.195 -12.638 2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.574 -11.213 1.969 1.00 0.00 H new ATOM 773 N ALA A 55 3.077 -12.257 6.240 1.00 0.00 N ATOM 774 CA ALA A 55 2.957 -13.159 7.373 1.00 0.00 C ATOM 775 C ALA A 55 4.135 -12.936 8.323 1.00 0.00 C ATOM 776 O ALA A 55 4.298 -13.667 9.299 1.00 0.00 O ATOM 777 CB ALA A 55 2.877 -14.602 6.872 1.00 0.00 C ATOM 0 H ALA A 55 3.775 -12.532 5.548 1.00 0.00 H new ATOM 0 HA ALA A 55 2.042 -12.957 7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.787 -15.278 7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.007 -14.715 6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.780 -14.843 6.311 1.00 0.00 H new ATOM 783 N SER A 56 4.927 -11.922 8.005 1.00 0.00 N ATOM 784 CA SER A 56 6.085 -11.593 8.818 1.00 0.00 C ATOM 785 C SER A 56 5.814 -10.323 9.627 1.00 0.00 C ATOM 786 O SER A 56 5.126 -9.419 9.157 1.00 0.00 O ATOM 787 CB SER A 56 7.334 -11.414 7.952 1.00 0.00 C ATOM 788 OG SER A 56 8.478 -11.072 8.729 1.00 0.00 O ATOM 0 H SER A 56 4.789 -11.318 7.195 1.00 0.00 H new ATOM 0 HA SER A 56 6.267 -12.421 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.530 -12.336 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.153 -10.635 7.211 1.00 0.00 H new ATOM 0 HG SER A 56 9.156 -10.664 8.151 1.00 0.00 H new ATOM 794 N PRO A 57 6.382 -10.296 10.862 1.00 0.00 N ATOM 795 CA PRO A 57 6.209 -9.152 11.741 1.00 0.00 C ATOM 796 C PRO A 57 7.067 -7.972 11.281 1.00 0.00 C ATOM 797 O PRO A 57 6.685 -6.816 11.457 1.00 0.00 O ATOM 798 CB PRO A 57 6.585 -9.657 13.124 1.00 0.00 C ATOM 799 CG PRO A 57 7.397 -10.922 12.899 1.00 0.00 C ATOM 800 CD PRO A 57 7.203 -11.349 11.453 1.00 0.00 C ATOM 0 HA PRO A 57 5.189 -8.769 11.736 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.166 -8.912 13.667 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.696 -9.864 13.719 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.452 -10.740 13.105 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.071 -11.711 13.577 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.158 -11.443 10.936 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.709 -12.319 11.389 1.00 0.00 H new ATOM 808 N MET A 58 8.211 -8.304 10.701 1.00 0.00 N ATOM 809 CA MET A 58 9.127 -7.286 10.214 1.00 0.00 C ATOM 810 C MET A 58 8.545 -6.560 9.000 1.00 0.00 C ATOM 811 O MET A 58 8.981 -5.461 8.661 1.00 0.00 O ATOM 812 CB MET A 58 10.457 -7.937 9.831 1.00 0.00 C ATOM 813 CG MET A 58 11.639 -7.085 10.296 1.00 0.00 C ATOM 814 SD MET A 58 12.559 -7.952 11.556 1.00 0.00 S ATOM 815 CE MET A 58 11.352 -7.960 12.871 1.00 0.00 C ATOM 0 H MET A 58 8.525 -9.264 10.557 1.00 0.00 H new ATOM 0 HA MET A 58 9.285 -6.556 11.008 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.522 -8.929 10.277 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.503 -8.070 8.750 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.289 -6.858 9.451 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.280 -6.133 10.687 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.821 -8.305 13.793 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.965 -6.951 13.016 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.532 -8.629 12.609 1.00 0.00 H new ATOM 825 N VAL A 59 7.568 -7.204 8.377 1.00 0.00 N ATOM 826 CA VAL A 59 6.922 -6.633 7.208 1.00 0.00 C ATOM 827 C VAL A 59 5.818 -5.674 7.658 1.00 0.00 C ATOM 828 O VAL A 59 5.176 -5.029 6.830 1.00 0.00 O ATOM 829 CB VAL A 59 6.409 -7.750 6.296 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.379 -7.215 5.300 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.565 -8.441 5.572 1.00 0.00 C ATOM 0 H VAL A 59 7.209 -8.116 8.660 1.00 0.00 H new ATOM 0 HA VAL A 59 7.636 -6.054 6.621 1.00 0.00 H new ATOM 0 HB VAL A 59 5.915 -8.493 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.031 -8.029 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.534 -6.792 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.837 -6.443 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.173 -9.230 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.101 -7.712 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.246 -8.874 6.305 1.00 0.00 H new ATOM 841 N LYS A 60 5.631 -5.611 8.968 1.00 0.00 N ATOM 842 CA LYS A 60 4.615 -4.741 9.537 1.00 0.00 C ATOM 843 C LYS A 60 5.293 -3.543 10.205 1.00 0.00 C ATOM 844 O LYS A 60 4.626 -2.709 10.816 1.00 0.00 O ATOM 845 CB LYS A 60 3.699 -5.530 10.474 1.00 0.00 C ATOM 846 CG LYS A 60 3.302 -6.871 9.852 1.00 0.00 C ATOM 847 CD LYS A 60 2.223 -6.681 8.784 1.00 0.00 C ATOM 848 CE LYS A 60 0.875 -6.335 9.421 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.140 -7.353 9.070 1.00 0.00 N ATOM 0 H LYS A 60 6.165 -6.148 9.651 1.00 0.00 H new ATOM 0 HA LYS A 60 3.968 -4.346 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.205 -5.701 11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.804 -4.946 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.178 -7.344 9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.936 -7.542 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.520 -5.887 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.127 -7.592 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.982 -6.278 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.547 -5.353 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.049 -7.103 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.254 -7.388 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.168 -8.284 9.416 1.00 0.00 H new ATOM 863 N LYS A 61 6.610 -3.495 10.066 1.00 0.00 N ATOM 864 CA LYS A 61 7.385 -2.413 10.649 1.00 0.00 C ATOM 865 C LYS A 61 8.092 -1.640 9.533 1.00 0.00 C ATOM 866 O LYS A 61 8.567 -0.526 9.750 1.00 0.00 O ATOM 867 CB LYS A 61 8.333 -2.950 11.722 1.00 0.00 C ATOM 868 CG LYS A 61 9.607 -3.519 11.093 1.00 0.00 C ATOM 869 CD LYS A 61 10.737 -2.489 11.116 1.00 0.00 C ATOM 870 CE LYS A 61 12.043 -3.095 10.597 1.00 0.00 C ATOM 871 NZ LYS A 61 13.175 -2.712 11.469 1.00 0.00 N ATOM 0 H LYS A 61 7.160 -4.188 9.558 1.00 0.00 H new ATOM 0 HA LYS A 61 6.730 -1.708 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.592 -2.151 12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.831 -3.725 12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.915 -4.414 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.406 -3.821 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.463 -1.629 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.880 -2.124 12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.957 -4.181 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.229 -2.754 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.053 -3.132 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.266 -1.676 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.002 -3.059 12.434 1.00 0.00 H new ATOM 885 N ILE A 62 8.140 -2.262 8.365 1.00 0.00 N ATOM 886 CA ILE A 62 8.781 -1.647 7.215 1.00 0.00 C ATOM 887 C ILE A 62 7.734 -0.885 6.399 1.00 0.00 C ATOM 888 O ILE A 62 8.079 -0.047 5.569 1.00 0.00 O ATOM 889 CB ILE A 62 9.548 -2.694 6.406 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.587 -3.406 7.275 1.00 0.00 C ATOM 891 CG2 ILE A 62 10.176 -2.071 5.157 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.809 -4.843 6.798 1.00 0.00 C ATOM 0 H ILE A 62 7.745 -3.186 8.190 1.00 0.00 H new ATOM 0 HA ILE A 62 9.525 -0.919 7.538 1.00 0.00 H new ATOM 0 HB ILE A 62 8.839 -3.449 6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.529 -2.859 7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.256 -3.411 8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.715 -2.837 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.392 -1.649 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.868 -1.282 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.552 -5.326 7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.870 -5.394 6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.163 -4.834 5.767 1.00 0.00 H new ATOM 904 N ILE A 63 6.476 -1.205 6.665 1.00 0.00 N ATOM 905 CA ILE A 63 5.377 -0.562 5.966 1.00 0.00 C ATOM 906 C ILE A 63 4.869 0.617 6.799 1.00 0.00 C ATOM 907 O ILE A 63 4.826 1.748 6.319 1.00 0.00 O ATOM 908 CB ILE A 63 4.291 -1.583 5.619 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.725 -2.468 4.449 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.954 -0.891 5.349 1.00 0.00 C ATOM 911 CD1 ILE A 63 4.052 -3.840 4.520 1.00 0.00 C ATOM 0 H ILE A 63 6.194 -1.901 7.355 1.00 0.00 H new ATOM 0 HA ILE A 63 5.717 -0.157 5.013 1.00 0.00 H new ATOM 0 HB ILE A 63 4.147 -2.235 6.480 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.470 -1.982 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.808 -2.589 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.200 -1.639 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.644 -0.339 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.064 -0.200 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.378 -4.449 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.328 -4.333 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.970 -3.717 4.482 1.00 0.00 H new ATOM 923 N GLU A 64 4.497 0.311 8.033 1.00 0.00 N ATOM 924 CA GLU A 64 3.993 1.331 8.938 1.00 0.00 C ATOM 925 C GLU A 64 4.978 2.499 9.022 1.00 0.00 C ATOM 926 O GLU A 64 4.588 3.624 9.331 1.00 0.00 O ATOM 927 CB GLU A 64 3.717 0.746 10.324 1.00 0.00 C ATOM 928 CG GLU A 64 2.573 -0.269 10.273 1.00 0.00 C ATOM 929 CD GLU A 64 2.613 -1.202 11.485 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.081 -0.735 12.545 1.00 0.00 O ATOM 931 OE2 GLU A 64 2.174 -2.361 11.323 1.00 0.00 O ATOM 0 H GLU A 64 4.534 -0.629 8.428 1.00 0.00 H new ATOM 0 HA GLU A 64 3.048 1.705 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.618 0.265 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.466 1.548 11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.618 0.255 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.642 -0.855 9.356 1.00 0.00 H new ATOM 938 N LYS A 65 6.236 2.192 8.742 1.00 0.00 N ATOM 939 CA LYS A 65 7.280 3.202 8.782 1.00 0.00 C ATOM 940 C LYS A 65 7.391 3.869 7.409 1.00 0.00 C ATOM 941 O LYS A 65 7.762 5.037 7.311 1.00 0.00 O ATOM 942 CB LYS A 65 8.594 2.595 9.279 1.00 0.00 C ATOM 943 CG LYS A 65 8.633 2.551 10.808 1.00 0.00 C ATOM 944 CD LYS A 65 9.676 3.525 11.359 1.00 0.00 C ATOM 945 CE LYS A 65 9.170 4.209 12.630 1.00 0.00 C ATOM 946 NZ LYS A 65 10.241 4.266 13.650 1.00 0.00 N ATOM 0 H LYS A 65 6.556 1.258 8.486 1.00 0.00 H new ATOM 0 HA LYS A 65 7.026 3.984 9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.707 1.587 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.434 3.182 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.650 2.801 11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.864 1.539 11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.601 2.990 11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.910 4.277 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.829 5.217 12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.312 3.666 13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.880 4.733 14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.548 3.301 13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.048 4.804 13.276 1.00 0.00 H new ATOM 960 N MET A 66 7.063 3.097 6.384 1.00 0.00 N ATOM 961 CA MET A 66 7.122 3.598 5.021 1.00 0.00 C ATOM 962 C MET A 66 6.291 4.875 4.870 1.00 0.00 C ATOM 963 O MET A 66 6.686 5.796 4.157 1.00 0.00 O ATOM 964 CB MET A 66 6.595 2.530 4.061 1.00 0.00 C ATOM 965 CG MET A 66 7.711 2.011 3.152 1.00 0.00 C ATOM 966 SD MET A 66 7.287 2.295 1.441 1.00 0.00 S ATOM 967 CE MET A 66 6.762 3.999 1.530 1.00 0.00 C ATOM 0 H MET A 66 6.755 2.128 6.470 1.00 0.00 H new ATOM 0 HA MET A 66 8.160 3.832 4.784 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.170 1.703 4.629 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.791 2.946 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.649 2.513 3.391 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.866 0.946 3.325 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.919 4.479 0.564 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.704 4.041 1.788 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.342 4.519 2.292 1.00 0.00 H new ATOM 977 N LEU A 67 5.156 4.888 5.554 1.00 0.00 N ATOM 978 CA LEU A 67 4.267 6.036 5.505 1.00 0.00 C ATOM 979 C LEU A 67 4.930 7.220 6.212 1.00 0.00 C ATOM 980 O LEU A 67 4.486 8.358 6.073 1.00 0.00 O ATOM 981 CB LEU A 67 2.892 5.673 6.070 1.00 0.00 C ATOM 982 CG LEU A 67 2.039 4.738 5.210 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.790 3.442 4.899 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.684 4.471 5.869 1.00 0.00 C ATOM 0 H LEU A 67 4.832 4.122 6.145 1.00 0.00 H new ATOM 0 HA LEU A 67 4.092 6.339 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.033 5.209 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.333 6.595 6.233 1.00 0.00 H new ATOM 0 HG LEU A 67 1.843 5.233 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.162 2.795 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.708 3.674 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.037 2.932 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.097 3.804 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.838 4.006 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.150 5.412 5.997 1.00 0.00 H new ATOM 996 N LYS A 68 5.982 6.910 6.956 1.00 0.00 N ATOM 997 CA LYS A 68 6.710 7.934 7.686 1.00 0.00 C ATOM 998 C LYS A 68 8.033 8.218 6.972 1.00 0.00 C ATOM 999 O LYS A 68 8.522 9.347 6.989 1.00 0.00 O ATOM 1000 CB LYS A 68 6.876 7.531 9.152 1.00 0.00 C ATOM 1001 CG LYS A 68 7.983 8.347 9.823 1.00 0.00 C ATOM 1002 CD LYS A 68 7.505 8.930 11.154 1.00 0.00 C ATOM 1003 CE LYS A 68 8.230 8.277 12.332 1.00 0.00 C ATOM 1004 NZ LYS A 68 7.320 7.363 13.058 1.00 0.00 N ATOM 0 H LYS A 68 6.347 5.964 7.069 1.00 0.00 H new ATOM 0 HA LYS A 68 6.147 8.867 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.936 7.681 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.112 6.469 9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.855 7.715 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.297 9.154 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.679 10.006 11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.430 8.780 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.098 7.725 11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.600 9.046 13.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.828 6.928 13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.505 7.899 13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.987 6.619 12.412 1.00 0.00 H new ATOM 1018 N ASN A 69 8.576 7.175 6.363 1.00 0.00 N ATOM 1019 CA ASN A 69 9.834 7.298 5.645 1.00 0.00 C ATOM 1020 C ASN A 69 10.933 7.724 6.621 1.00 0.00 C ATOM 1021 O ASN A 69 11.733 6.899 7.059 1.00 0.00 O ATOM 1022 CB ASN A 69 9.739 8.358 4.547 1.00 0.00 C ATOM 1023 CG ASN A 69 11.117 8.656 3.952 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.747 7.817 3.329 1.00 0.00 O ATOM 1025 ND2 ASN A 69 11.548 9.894 4.178 1.00 0.00 N ATOM 0 H ASN A 69 8.168 6.240 6.352 1.00 0.00 H new ATOM 0 HA ASN A 69 10.062 6.332 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.066 8.014 3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.310 9.273 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.457 10.191 3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.970 10.547 4.707 1.00 0.00 H new ATOM 1032 N GLY A 70 10.937 9.012 6.931 1.00 0.00 N ATOM 1033 CA GLY A 70 11.925 9.558 7.846 1.00 0.00 C ATOM 1034 C GLY A 70 11.774 11.075 7.976 1.00 0.00 C ATOM 1035 O GLY A 70 10.762 11.639 7.562 1.00 0.00 O ATOM 0 H GLY A 70 10.272 9.693 6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.815 9.093 8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.927 9.318 7.490 1.00 0.00 H new ATOM 1135 N ARG B 8 7.563 16.432 -8.076 1.00 0.00 N ATOM 1136 CA ARG B 8 6.468 16.722 -7.167 1.00 0.00 C ATOM 1137 C ARG B 8 5.803 15.423 -6.705 1.00 0.00 C ATOM 1138 O ARG B 8 6.474 14.406 -6.532 1.00 0.00 O ATOM 1139 CB ARG B 8 5.419 17.614 -7.834 1.00 0.00 C ATOM 1140 CG ARG B 8 6.083 18.692 -8.693 1.00 0.00 C ATOM 1141 CD ARG B 8 5.220 19.954 -8.752 1.00 0.00 C ATOM 1142 NE ARG B 8 6.038 21.143 -8.424 1.00 0.00 N ATOM 1143 CZ ARG B 8 6.566 21.381 -7.216 1.00 0.00 C ATOM 1144 NH1 ARG B 8 6.365 20.514 -6.214 1.00 0.00 N ATOM 1145 NH2 ARG B 8 7.295 22.486 -7.009 1.00 0.00 N ATOM 0 HA ARG B 8 6.882 17.248 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.760 17.006 -8.453 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.797 18.083 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.063 18.936 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.245 18.310 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.788 20.063 -9.747 1.00 0.00 H new ATOM 0 HD3 ARG B 8 4.389 19.869 -8.051 1.00 0.00 H new ATOM 0 HE ARG B 8 6.210 21.824 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.810 19.673 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG B 8 6.767 20.695 -5.294 1.00 0.00 H new ATOM 0 HH21 ARG B 8 7.448 23.146 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG B 8 7.697 22.667 -6.089 1.00 0.00 H new ATOM 1159 N CYS B 9 4.494 15.500 -6.519 1.00 0.00 N ATOM 1160 CA CYS B 9 3.731 14.343 -6.081 1.00 0.00 C ATOM 1161 C CYS B 9 2.970 13.785 -7.286 1.00 0.00 C ATOM 1162 O CYS B 9 2.543 14.540 -8.158 1.00 0.00 O ATOM 1163 CB CYS B 9 2.793 14.689 -4.923 1.00 0.00 C ATOM 1164 SG CYS B 9 3.596 14.760 -3.280 1.00 0.00 S ATOM 0 H CYS B 9 3.942 16.345 -6.663 1.00 0.00 H new ATOM 0 HA CYS B 9 4.409 13.581 -5.697 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.328 15.654 -5.126 1.00 0.00 H new ATOM 0 HB3 CYS B 9 1.993 13.950 -4.889 1.00 0.00 H new ATOM 1169 N GLN B 10 2.822 12.469 -7.294 1.00 0.00 N ATOM 1170 CA GLN B 10 2.119 11.802 -8.377 1.00 0.00 C ATOM 1171 C GLN B 10 0.611 12.025 -8.248 1.00 0.00 C ATOM 1172 O GLN B 10 -0.160 11.586 -9.100 1.00 0.00 O ATOM 1173 CB GLN B 10 2.452 10.308 -8.408 1.00 0.00 C ATOM 1174 CG GLN B 10 1.888 9.647 -9.667 1.00 0.00 C ATOM 1175 CD GLN B 10 0.963 8.483 -9.308 1.00 0.00 C ATOM 1176 OE1 GLN B 10 -0.203 8.450 -9.664 1.00 0.00 O ATOM 1177 NE2 GLN B 10 1.547 7.531 -8.585 1.00 0.00 N ATOM 0 H GLN B 10 3.177 11.846 -6.568 1.00 0.00 H new ATOM 0 HA GLN B 10 2.451 12.235 -9.321 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.533 10.172 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN B 10 2.042 9.822 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.340 10.384 -10.254 1.00 0.00 H new ATOM 0 HG3 GLN B 10 2.706 9.287 -10.291 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.528 7.621 -8.320 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.014 6.711 -8.295 1.00 0.00 H new ATOM 1186 N CYS B 11 0.236 12.707 -7.176 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.166 12.994 -6.925 1.00 0.00 C ATOM 1188 C CYS B 11 -1.273 14.415 -6.366 1.00 0.00 C ATOM 1189 O CYS B 11 -0.572 14.768 -5.420 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.795 11.963 -5.986 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.277 11.121 -6.653 1.00 0.00 S ATOM 0 H CYS B 11 0.878 13.069 -6.471 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.726 12.928 -7.858 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.046 11.210 -5.742 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.065 12.459 -5.053 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.157 15.191 -6.977 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.364 16.565 -6.552 1.00 0.00 C ATOM 1198 C LEU B 12 -3.572 16.627 -5.614 1.00 0.00 C ATOM 1199 O LEU B 12 -3.769 17.621 -4.916 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.480 17.489 -7.766 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.553 17.173 -8.941 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.221 17.513 -10.274 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.204 17.877 -8.779 1.00 0.00 C ATOM 0 H LEU B 12 -2.737 14.895 -7.762 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.503 16.924 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.509 17.459 -8.123 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.285 18.511 -7.440 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.358 16.101 -8.944 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.540 17.279 -11.092 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.134 16.928 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.465 18.575 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.436 17.636 -9.627 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.359 18.955 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.273 17.542 -7.858 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.348 15.554 -5.629 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.531 15.474 -4.788 1.00 0.00 C ATOM 1217 C GLN B 13 -5.590 14.118 -4.083 1.00 0.00 C ATOM 1218 O GLN B 13 -4.827 13.210 -4.410 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.801 15.725 -5.603 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.897 16.345 -4.734 1.00 0.00 C ATOM 1221 CD GLN B 13 -8.327 17.707 -5.284 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -7.707 18.272 -6.170 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -9.420 18.201 -4.710 1.00 0.00 N ATOM 0 H GLN B 13 -4.181 14.732 -6.210 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.467 16.253 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.576 16.388 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.156 14.786 -6.028 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.757 15.676 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.535 16.459 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -9.891 17.676 -3.973 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -9.787 19.105 -5.006 1.00 0.00 H new ATOM 1232 N THR B 14 -6.504 14.022 -3.129 1.00 0.00 N ATOM 1233 CA THR B 14 -6.673 12.792 -2.375 1.00 0.00 C ATOM 1234 C THR B 14 -8.098 12.695 -1.825 1.00 0.00 C ATOM 1235 O THR B 14 -8.829 13.684 -1.808 1.00 0.00 O ATOM 1236 CB THR B 14 -5.598 12.752 -1.287 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.434 14.117 -0.911 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.227 12.349 -1.834 1.00 0.00 C ATOM 0 H THR B 14 -7.136 14.777 -2.861 1.00 0.00 H new ATOM 0 HA THR B 14 -6.543 11.917 -3.012 1.00 0.00 H new ATOM 0 HB THR B 14 -5.897 12.053 -0.506 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.755 14.183 -0.207 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.501 12.336 -1.021 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.291 11.356 -2.280 1.00 0.00 H new ATOM 0 HG23 THR B 14 -3.912 13.067 -2.591 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.449 11.494 -1.388 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.773 11.255 -0.839 1.00 0.00 C ATOM 1248 C LEU B 15 -9.725 11.412 0.682 1.00 0.00 C ATOM 1249 O LEU B 15 -8.651 11.578 1.259 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.307 9.898 -1.301 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.578 9.758 -2.800 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.319 8.326 -3.273 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -11.991 10.230 -3.149 1.00 0.00 C ATOM 0 H LEU B 15 -7.839 10.676 -1.403 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.481 11.994 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.591 9.130 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.233 9.692 -0.764 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.882 10.405 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.519 8.254 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.279 8.061 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.974 7.641 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.157 10.120 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.720 9.629 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.104 11.278 -2.870 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.902 11.354 1.288 1.00 0.00 N ATOM 1266 CA GLN B 16 -11.008 11.487 2.731 1.00 0.00 C ATOM 1267 C GLN B 16 -11.441 10.160 3.357 1.00 0.00 C ATOM 1268 O GLN B 16 -11.330 9.975 4.568 1.00 0.00 O ATOM 1269 CB GLN B 16 -11.974 12.612 3.108 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.415 12.490 4.568 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.711 11.685 4.683 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.748 12.051 4.155 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -13.595 10.572 5.402 1.00 0.00 N ATOM 0 H GLN B 16 -11.790 11.217 0.806 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.026 11.748 3.125 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.493 13.577 2.949 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.847 12.580 2.457 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.630 12.007 5.150 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.561 13.484 4.992 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.697 10.324 5.817 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -14.404 9.966 5.539 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.924 9.270 2.503 1.00 0.00 N ATOM 1283 CA GLY B 17 -12.374 7.965 2.957 1.00 0.00 C ATOM 1284 C GLY B 17 -13.393 7.368 1.984 1.00 0.00 C ATOM 1285 O GLY B 17 -14.574 7.709 2.030 1.00 0.00 O ATOM 0 H GLY B 17 -12.014 9.427 1.499 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -11.520 7.294 3.052 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -12.820 8.054 3.947 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.900 6.487 1.127 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.752 5.839 0.145 1.00 0.00 C ATOM 1291 C ILE B 18 -14.045 4.406 0.596 1.00 0.00 C ATOM 1292 O ILE B 18 -13.330 3.857 1.433 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.129 5.929 -1.249 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.451 7.273 -1.908 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -13.558 4.747 -2.120 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -14.881 7.287 -2.452 1.00 0.00 C ATOM 0 H ILE B 18 -11.920 6.206 1.092 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.710 6.354 0.074 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.046 5.873 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -13.326 8.077 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -12.748 7.463 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -13.101 4.836 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.236 3.816 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -14.643 4.745 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -15.085 8.253 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -14.996 6.497 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -15.583 7.121 -1.635 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.096 3.842 0.021 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.492 2.483 0.353 1.00 0.00 C ATOM 1310 C HIS B 19 -14.318 1.533 0.110 1.00 0.00 C ATOM 1311 O HIS B 19 -13.693 1.570 -0.949 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.750 2.080 -0.418 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.793 1.388 0.427 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -19.110 1.809 0.487 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.699 0.300 1.245 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.770 1.005 1.307 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.893 0.071 1.776 1.00 0.00 N ATOM 0 H HIS B 19 -15.686 4.301 -0.673 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.750 2.423 1.410 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.191 2.971 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.466 1.421 -1.238 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.805 -0.277 1.429 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.818 1.076 1.560 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -19.118 -0.680 2.428 1.00 0.00 H new ATOM 1325 N LEU B 20 -14.053 0.703 1.108 1.00 0.00 N ATOM 1326 CA LEU B 20 -12.965 -0.255 1.017 1.00 0.00 C ATOM 1327 C LEU B 20 -13.478 -1.542 0.367 1.00 0.00 C ATOM 1328 O LEU B 20 -12.826 -2.582 0.442 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.325 -0.472 2.389 1.00 0.00 C ATOM 1330 CG LEU B 20 -10.893 -1.013 2.384 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.881 -2.529 2.176 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -10.036 -0.285 1.346 1.00 0.00 C ATOM 0 H LEU B 20 -14.574 0.674 1.985 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.170 0.131 0.378 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.332 0.477 2.925 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -12.951 -1.162 2.955 1.00 0.00 H new ATOM 0 HG LEU B 20 -10.450 -0.818 3.361 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.852 -2.888 2.176 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.434 -3.011 2.982 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -11.349 -2.769 1.221 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -9.023 -0.688 1.363 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.467 -0.427 0.355 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -10.007 0.779 1.580 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.643 -1.429 -0.255 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.251 -2.571 -0.917 1.00 0.00 C ATOM 1346 C LYS B 21 -14.880 -2.551 -2.402 1.00 0.00 C ATOM 1347 O LYS B 21 -14.878 -3.591 -3.058 1.00 0.00 O ATOM 1348 CB LYS B 21 -16.759 -2.599 -0.660 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.062 -3.019 0.779 1.00 0.00 C ATOM 1350 CD LYS B 21 -17.144 -4.542 0.900 1.00 0.00 C ATOM 1351 CE LYS B 21 -17.149 -4.976 2.367 1.00 0.00 C ATOM 1352 NZ LYS B 21 -18.148 -6.047 2.587 1.00 0.00 N ATOM 0 H LYS B 21 -15.181 -0.565 -0.314 1.00 0.00 H new ATOM 0 HA LYS B 21 -14.863 -3.502 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.183 -1.613 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.237 -3.291 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -16.286 -2.639 1.444 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -18.003 -2.574 1.101 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -18.048 -4.901 0.408 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -16.298 -4.997 0.385 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -16.158 -5.331 2.651 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -17.377 -4.122 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -18.139 -6.330 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -19.094 -5.696 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -17.914 -6.868 1.993 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.576 -1.356 -2.887 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.205 -1.188 -4.282 1.00 0.00 C ATOM 1368 C ASN B 22 -12.686 -1.308 -4.419 1.00 0.00 C ATOM 1369 O ASN B 22 -12.187 -1.791 -5.434 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.619 0.192 -4.799 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.819 0.087 -5.741 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -15.784 -0.581 -6.761 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.881 0.782 -5.344 1.00 0.00 N ATOM 0 H ASN B 22 -14.579 -0.495 -2.339 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.714 -1.958 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.868 0.840 -3.958 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.782 0.655 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.733 0.776 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.844 1.321 -4.479 1.00 0.00 H new ATOM 1380 N ILE B 23 -11.993 -0.860 -3.382 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.541 -0.912 -3.374 1.00 0.00 C ATOM 1382 C ILE B 23 -10.085 -2.356 -3.590 1.00 0.00 C ATOM 1383 O ILE B 23 -10.630 -3.280 -2.987 1.00 0.00 O ATOM 1384 CB ILE B 23 -9.989 -0.277 -2.096 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.722 1.216 -2.296 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.745 -1.022 -1.607 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.309 2.037 -1.147 1.00 0.00 C ATOM 0 H ILE B 23 -12.410 -0.460 -2.542 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.134 -0.323 -4.196 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.745 -0.366 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.648 1.391 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.156 1.543 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.373 -0.551 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.001 -2.061 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.974 -0.986 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.105 3.095 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.386 1.878 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.855 1.724 -0.207 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.090 -2.507 -4.452 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.555 -3.823 -4.755 1.00 0.00 C ATOM 1401 C GLN B 24 -7.121 -3.945 -4.236 1.00 0.00 C ATOM 1402 O GLN B 24 -6.648 -5.047 -3.960 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.620 -4.109 -6.257 1.00 0.00 C ATOM 1404 CG GLN B 24 -8.993 -5.569 -6.521 1.00 0.00 C ATOM 1405 CD GLN B 24 -7.930 -6.517 -5.962 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -6.705 -6.289 -6.426 1.00 0.00 O flip ATOM 1407 NE2 GLN B 24 -8.204 -7.397 -5.162 1.00 0.00 N flip ATOM 0 H GLN B 24 -8.640 -1.739 -4.950 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.169 -4.568 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.354 -3.452 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -7.656 -3.888 -6.715 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -9.958 -5.790 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -9.103 -5.732 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -9.166 -7.518 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -7.471 -8.012 -4.809 1.00 0.00 H new ATOM 1416 N SER B 25 -6.469 -2.798 -4.117 1.00 0.00 N ATOM 1417 CA SER B 25 -5.098 -2.763 -3.635 1.00 0.00 C ATOM 1418 C SER B 25 -4.783 -1.384 -3.053 1.00 0.00 C ATOM 1419 O SER B 25 -5.499 -0.418 -3.314 1.00 0.00 O ATOM 1420 CB SER B 25 -4.112 -3.105 -4.754 1.00 0.00 C ATOM 1421 OG SER B 25 -4.774 -3.352 -5.992 1.00 0.00 O ATOM 0 H SER B 25 -6.864 -1.886 -4.346 1.00 0.00 H new ATOM 0 HA SER B 25 -4.991 -3.514 -2.852 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.406 -2.284 -4.878 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.533 -3.984 -4.471 1.00 0.00 H new ATOM 0 HG SER B 25 -4.110 -3.565 -6.681 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.712 -1.335 -2.275 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.293 -0.090 -1.654 1.00 0.00 C ATOM 1429 C VAL B 26 -1.835 0.193 -2.020 1.00 0.00 C ATOM 1430 O VAL B 26 -0.977 -0.677 -1.881 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.529 -0.153 -0.144 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.746 0.943 0.580 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.022 -0.067 0.182 1.00 0.00 C ATOM 0 H VAL B 26 -3.121 -2.138 -2.060 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.889 0.742 -2.028 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.163 -1.116 0.212 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.932 0.875 1.652 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.681 0.817 0.388 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.067 1.920 0.217 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.162 -0.114 1.262 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.423 0.874 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.546 -0.899 -0.288 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.599 1.413 -2.480 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.260 1.821 -2.867 1.00 0.00 C ATOM 1445 C LYS B 27 0.134 3.073 -2.081 1.00 0.00 C ATOM 1446 O LYS B 27 -0.549 4.094 -2.149 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.169 1.994 -4.384 1.00 0.00 C ATOM 1448 CG LYS B 27 1.267 2.297 -4.817 1.00 0.00 C ATOM 1449 CD LYS B 27 2.265 1.418 -4.061 1.00 0.00 C ATOM 1450 CE LYS B 27 3.541 1.210 -4.878 1.00 0.00 C ATOM 1451 NZ LYS B 27 3.991 2.489 -5.472 1.00 0.00 N ATOM 0 H LYS B 27 -2.313 2.132 -2.593 1.00 0.00 H new ATOM 0 HA LYS B 27 0.462 1.045 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.518 1.087 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.827 2.803 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.370 2.131 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.492 3.348 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.512 1.881 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS B 27 1.810 0.453 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.326 0.802 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS B 27 3.360 0.480 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 4.972 2.392 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 3.377 2.734 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.940 3.241 -4.756 1.00 0.00 H new ATOM 1465 N VAL B 28 1.235 2.953 -1.352 1.00 0.00 N ATOM 1466 CA VAL B 28 1.728 4.063 -0.554 1.00 0.00 C ATOM 1467 C VAL B 28 3.091 4.505 -1.090 1.00 0.00 C ATOM 1468 O VAL B 28 4.011 3.696 -1.201 1.00 0.00 O ATOM 1469 CB VAL B 28 1.766 3.668 0.924 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.416 4.766 1.768 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.364 3.338 1.439 1.00 0.00 C ATOM 0 H VAL B 28 1.799 2.105 -1.298 1.00 0.00 H new ATOM 0 HA VAL B 28 1.056 4.918 -0.631 1.00 0.00 H new ATOM 0 HB VAL B 28 2.376 2.770 1.016 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.430 4.460 2.814 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.437 4.933 1.424 1.00 0.00 H new ATOM 0 HG13 VAL B 28 1.844 5.689 1.668 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.419 3.060 2.492 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.280 4.211 1.327 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.048 2.507 0.866 1.00 0.00 H new ATOM 1481 N LYS B 29 3.178 5.788 -1.409 1.00 0.00 N ATOM 1482 CA LYS B 29 4.413 6.348 -1.930 1.00 0.00 C ATOM 1483 C LYS B 29 4.884 7.478 -1.013 1.00 0.00 C ATOM 1484 O LYS B 29 4.518 8.635 -1.210 1.00 0.00 O ATOM 1485 CB LYS B 29 4.234 6.774 -3.389 1.00 0.00 C ATOM 1486 CG LYS B 29 5.584 6.859 -4.105 1.00 0.00 C ATOM 1487 CD LYS B 29 6.240 8.222 -3.880 1.00 0.00 C ATOM 1488 CE LYS B 29 6.715 8.827 -5.202 1.00 0.00 C ATOM 1489 NZ LYS B 29 5.779 9.879 -5.657 1.00 0.00 N ATOM 0 H LYS B 29 2.413 6.456 -1.317 1.00 0.00 H new ATOM 0 HA LYS B 29 5.200 5.594 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.590 6.061 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.735 7.742 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.243 6.070 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.444 6.691 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.530 8.897 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.085 8.115 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.713 9.248 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.790 8.047 -5.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 6.117 10.279 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.834 9.467 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 5.728 10.631 -4.941 1.00 0.00 H new ATOM 1503 N SER B 30 5.688 7.102 -0.029 1.00 0.00 N ATOM 1504 CA SER B 30 6.212 8.069 0.920 1.00 0.00 C ATOM 1505 C SER B 30 6.836 9.250 0.173 1.00 0.00 C ATOM 1506 O SER B 30 6.836 9.281 -1.057 1.00 0.00 O ATOM 1507 CB SER B 30 7.243 7.426 1.850 1.00 0.00 C ATOM 1508 OG SER B 30 8.577 7.784 1.497 1.00 0.00 O ATOM 0 H SER B 30 5.989 6.141 0.131 1.00 0.00 H new ATOM 0 HA SER B 30 5.385 8.429 1.532 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.045 7.732 2.877 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.137 6.342 1.814 1.00 0.00 H new ATOM 0 HG SER B 30 9.187 7.057 1.742 1.00 0.00 H new ATOM 1514 N PRO B 31 7.365 10.218 0.968 1.00 0.00 N ATOM 1515 CA PRO B 31 7.990 11.398 0.395 1.00 0.00 C ATOM 1516 C PRO B 31 9.369 11.065 -0.177 1.00 0.00 C ATOM 1517 O PRO B 31 9.774 9.904 -0.195 1.00 0.00 O ATOM 1518 CB PRO B 31 8.045 12.406 1.532 1.00 0.00 C ATOM 1519 CG PRO B 31 7.878 11.601 2.810 1.00 0.00 C ATOM 1520 CD PRO B 31 7.382 10.216 2.427 1.00 0.00 C ATOM 0 HA PRO B 31 7.432 11.801 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.992 12.945 1.531 1.00 0.00 H new ATOM 0 HB3 PRO B 31 7.255 13.150 1.433 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.825 11.533 3.345 1.00 0.00 H new ATOM 0 HG3 PRO B 31 7.169 12.089 3.479 1.00 0.00 H new ATOM 0 HD2 PRO B 31 8.041 9.439 2.814 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.389 10.024 2.834 1.00 0.00 H new ATOM 1528 N GLY B 32 10.054 12.105 -0.630 1.00 0.00 N ATOM 1529 CA GLY B 32 11.379 11.938 -1.201 1.00 0.00 C ATOM 1530 C GLY B 32 12.128 13.271 -1.249 1.00 0.00 C ATOM 1531 O GLY B 32 11.811 14.193 -0.498 1.00 0.00 O ATOM 0 H GLY B 32 9.715 13.067 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.946 11.219 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.296 11.527 -2.207 1.00 0.00 H new ATOM 1535 N PRO B 33 13.133 13.333 -2.162 1.00 0.00 N ATOM 1536 CA PRO B 33 13.930 14.538 -2.318 1.00 0.00 C ATOM 1537 C PRO B 33 13.144 15.623 -3.058 1.00 0.00 C ATOM 1538 O PRO B 33 13.664 16.709 -3.309 1.00 0.00 O ATOM 1539 CB PRO B 33 15.176 14.093 -3.067 1.00 0.00 C ATOM 1540 CG PRO B 33 14.822 12.761 -3.708 1.00 0.00 C ATOM 1541 CD PRO B 33 13.537 12.262 -3.068 1.00 0.00 C ATOM 0 HA PRO B 33 14.196 14.992 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.461 14.826 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO B 33 16.023 13.988 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.692 12.878 -4.784 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.627 12.041 -3.560 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.770 12.068 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.700 11.328 -2.530 1.00 0.00 H new ATOM 1549 N HIS B 34 11.904 15.291 -3.386 1.00 0.00 N ATOM 1550 CA HIS B 34 11.042 16.223 -4.092 1.00 0.00 C ATOM 1551 C HIS B 34 9.798 16.510 -3.249 1.00 0.00 C ATOM 1552 O HIS B 34 9.545 17.656 -2.878 1.00 0.00 O ATOM 1553 CB HIS B 34 10.703 15.699 -5.489 1.00 0.00 C ATOM 1554 CG HIS B 34 10.579 14.196 -5.567 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.641 13.342 -5.326 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.507 13.405 -5.861 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.217 12.096 -5.473 1.00 0.00 C ATOM 1558 NE2 HIS B 34 9.894 12.137 -5.805 1.00 0.00 N ATOM 0 H HIS B 34 11.476 14.389 -3.176 1.00 0.00 H new ATOM 0 HA HIS B 34 11.565 17.168 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.766 16.148 -5.817 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.474 16.026 -6.186 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.512 13.752 -6.099 1.00 0.00 H new ATOM 0 HE1 HIS B 34 11.814 11.204 -5.351 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.300 11.326 -5.981 1.00 0.00 H new ATOM 1566 N CYS B 35 9.054 15.450 -2.969 1.00 0.00 N ATOM 1567 CA CYS B 35 7.842 15.574 -2.177 1.00 0.00 C ATOM 1568 C CYS B 35 8.176 15.209 -0.729 1.00 0.00 C ATOM 1569 O CYS B 35 8.556 14.075 -0.443 1.00 0.00 O ATOM 1570 CB CYS B 35 6.709 14.711 -2.736 1.00 0.00 C ATOM 1571 SG CYS B 35 5.444 15.628 -3.688 1.00 0.00 S ATOM 0 H CYS B 35 9.267 14.501 -3.277 1.00 0.00 H new ATOM 0 HA CYS B 35 7.481 16.602 -2.219 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.140 13.942 -3.377 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.219 14.198 -1.908 1.00 0.00 H new ATOM 1576 N ALA B 36 8.022 16.192 0.146 1.00 0.00 N ATOM 1577 CA ALA B 36 8.302 15.989 1.557 1.00 0.00 C ATOM 1578 C ALA B 36 7.003 15.640 2.286 1.00 0.00 C ATOM 1579 O ALA B 36 6.883 15.862 3.490 1.00 0.00 O ATOM 1580 CB ALA B 36 8.974 17.238 2.129 1.00 0.00 C ATOM 0 H ALA B 36 7.707 17.132 -0.095 1.00 0.00 H new ATOM 0 HA ALA B 36 8.991 15.156 1.695 1.00 0.00 H new ATOM 0 HB1 ALA B 36 9.184 17.086 3.188 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.907 17.425 1.597 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.311 18.095 2.010 1.00 0.00 H new ATOM 1586 N GLN B 37 6.062 15.100 1.525 1.00 0.00 N ATOM 1587 CA GLN B 37 4.776 14.719 2.083 1.00 0.00 C ATOM 1588 C GLN B 37 4.559 13.212 1.935 1.00 0.00 C ATOM 1589 O GLN B 37 5.419 12.417 2.310 1.00 0.00 O ATOM 1590 CB GLN B 37 3.639 15.504 1.427 1.00 0.00 C ATOM 1591 CG GLN B 37 3.923 17.007 1.454 1.00 0.00 C ATOM 1592 CD GLN B 37 3.613 17.599 2.831 1.00 0.00 C ATOM 1593 OE1 GLN B 37 2.859 17.049 3.616 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.236 18.748 3.078 1.00 0.00 N ATOM 0 H GLN B 37 6.165 14.917 0.527 1.00 0.00 H new ATOM 0 HA GLN B 37 4.776 14.964 3.145 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.511 15.173 0.396 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.703 15.298 1.946 1.00 0.00 H new ATOM 0 HG2 GLN B 37 4.968 17.188 1.203 1.00 0.00 H new ATOM 0 HG3 GLN B 37 3.322 17.508 0.695 1.00 0.00 H new ATOM 0 HE21 GLN B 37 4.855 19.154 2.376 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.095 19.223 3.970 1.00 0.00 H new ATOM 1603 N THR B 38 3.403 12.864 1.387 1.00 0.00 N ATOM 1604 CA THR B 38 3.062 11.466 1.184 1.00 0.00 C ATOM 1605 C THR B 38 2.112 11.316 -0.005 1.00 0.00 C ATOM 1606 O THR B 38 1.470 12.281 -0.418 1.00 0.00 O ATOM 1607 CB THR B 38 2.486 10.925 2.494 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.397 11.384 3.490 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.572 9.400 2.586 1.00 0.00 C ATOM 0 H THR B 38 2.691 13.526 1.078 1.00 0.00 H new ATOM 0 HA THR B 38 3.943 10.877 0.932 1.00 0.00 H new ATOM 0 HB THR B 38 1.446 11.237 2.589 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.098 11.079 4.372 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.150 9.068 3.535 1.00 0.00 H new ATOM 0 HG22 THR B 38 2.012 8.954 1.764 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.615 9.090 2.525 1.00 0.00 H new ATOM 1617 N GLU B 39 2.051 10.098 -0.524 1.00 0.00 N ATOM 1618 CA GLU B 39 1.190 9.810 -1.658 1.00 0.00 C ATOM 1619 C GLU B 39 0.557 8.425 -1.505 1.00 0.00 C ATOM 1620 O GLU B 39 1.209 7.410 -1.749 1.00 0.00 O ATOM 1621 CB GLU B 39 1.961 9.918 -2.974 1.00 0.00 C ATOM 1622 CG GLU B 39 1.197 10.769 -3.990 1.00 0.00 C ATOM 1623 CD GLU B 39 0.876 12.151 -3.416 1.00 0.00 C ATOM 1624 OE1 GLU B 39 1.775 12.713 -2.753 1.00 0.00 O ATOM 1625 OE2 GLU B 39 -0.260 12.614 -3.654 1.00 0.00 O ATOM 0 H GLU B 39 2.584 9.299 -0.180 1.00 0.00 H new ATOM 0 HA GLU B 39 0.392 10.552 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.941 10.358 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU B 39 2.130 8.922 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.790 10.877 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.273 10.264 -4.271 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.705 8.427 -1.101 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.432 7.183 -0.913 1.00 0.00 C ATOM 1634 C VAL B 40 -2.399 6.981 -2.081 1.00 0.00 C ATOM 1635 O VAL B 40 -3.326 7.768 -2.268 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.131 7.187 0.448 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.023 5.954 0.610 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.114 7.281 1.587 1.00 0.00 C ATOM 0 H VAL B 40 -1.242 9.270 -0.899 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.746 6.336 -0.909 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.768 8.070 0.494 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.508 5.981 1.586 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.782 5.949 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.415 5.053 0.532 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.638 7.282 2.543 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.439 6.426 1.544 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.540 8.202 1.487 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.150 5.923 -2.838 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.988 5.607 -3.983 1.00 0.00 C ATOM 1650 C ILE B 41 -3.494 4.169 -3.858 1.00 0.00 C ATOM 1651 O ILE B 41 -2.704 3.241 -3.692 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.238 5.885 -5.287 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.560 7.256 -5.250 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -3.165 5.737 -6.495 1.00 0.00 C ATOM 1655 CD1 ILE B 41 -0.114 7.139 -4.764 1.00 0.00 C ATOM 0 H ILE B 41 -1.380 5.273 -2.681 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.866 6.253 -4.003 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.450 5.139 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.578 7.702 -6.245 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -2.116 7.923 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.607 5.940 -7.409 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.559 4.721 -6.529 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.990 6.444 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.345 8.127 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -0.101 6.715 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.445 6.491 -5.439 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.809 4.029 -3.943 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.430 2.719 -3.842 1.00 0.00 C ATOM 1669 C ALA B 42 -6.036 2.341 -5.195 1.00 0.00 C ATOM 1670 O ALA B 42 -6.681 3.164 -5.842 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.471 2.733 -2.721 1.00 0.00 C ATOM 0 H ALA B 42 -5.461 4.801 -4.081 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.688 1.961 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -6.937 1.751 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.985 2.978 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.233 3.480 -2.942 1.00 0.00 H new ATOM 1677 N THR B 43 -5.806 1.095 -5.583 1.00 0.00 N ATOM 1678 CA THR B 43 -6.321 0.598 -6.848 1.00 0.00 C ATOM 1679 C THR B 43 -7.763 0.114 -6.683 1.00 0.00 C ATOM 1680 O THR B 43 -8.107 -0.489 -5.668 1.00 0.00 O ATOM 1681 CB THR B 43 -5.369 -0.489 -7.351 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.213 0.229 -7.772 1.00 0.00 O ATOM 1683 CG2 THR B 43 -5.874 -1.164 -8.628 1.00 0.00 C ATOM 0 H THR B 43 -5.270 0.415 -5.044 1.00 0.00 H new ATOM 0 HA THR B 43 -6.360 1.388 -7.598 1.00 0.00 H new ATOM 0 HB THR B 43 -5.232 -1.240 -6.573 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.525 -0.403 -8.067 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.162 -1.927 -8.942 1.00 0.00 H new ATOM 0 HG22 THR B 43 -6.842 -1.628 -8.436 1.00 0.00 H new ATOM 0 HG23 THR B 43 -5.979 -0.419 -9.416 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.567 0.397 -7.697 1.00 0.00 N ATOM 1692 CA LEU B 44 -9.965 -0.002 -7.677 1.00 0.00 C ATOM 1693 C LEU B 44 -10.100 -1.400 -8.282 1.00 0.00 C ATOM 1694 O LEU B 44 -9.313 -1.786 -9.145 1.00 0.00 O ATOM 1695 CB LEU B 44 -10.832 1.053 -8.366 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.091 1.485 -7.610 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.608 2.828 -8.129 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.164 0.396 -7.665 1.00 0.00 C ATOM 0 H LEU B 44 -8.278 0.897 -8.537 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.330 -0.062 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.220 1.936 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.132 0.668 -9.341 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.829 1.625 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.503 3.112 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.841 3.590 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.849 2.740 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.048 0.728 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.430 0.200 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.779 -0.517 -7.210 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.104 -2.122 -7.806 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.352 -3.469 -8.289 1.00 0.00 C ATOM 1712 C LYS B 45 -11.953 -3.400 -9.694 1.00 0.00 C ATOM 1713 O LYS B 45 -12.164 -4.429 -10.335 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.212 -4.247 -7.290 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.990 -5.364 -7.989 1.00 0.00 C ATOM 1716 CD LYS B 45 -12.039 -6.393 -8.603 1.00 0.00 C ATOM 1717 CE LYS B 45 -11.831 -7.578 -7.659 1.00 0.00 C ATOM 1718 NZ LYS B 45 -10.501 -8.189 -7.880 1.00 0.00 N ATOM 0 H LYS B 45 -11.755 -1.799 -7.091 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.417 -4.023 -8.369 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.577 -4.672 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -12.908 -3.568 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.650 -5.855 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -13.623 -4.939 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -12.443 -6.746 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.080 -5.923 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -11.918 -7.246 -6.624 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -12.611 -8.322 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -10.612 -9.207 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -10.044 -7.739 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -9.911 -8.051 -7.035 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.213 -2.177 -10.132 1.00 0.00 N ATOM 1733 CA ASN B 46 -12.786 -1.960 -11.450 1.00 0.00 C ATOM 1734 C ASN B 46 -11.674 -1.573 -12.427 1.00 0.00 C ATOM 1735 O ASN B 46 -11.900 -1.503 -13.634 1.00 0.00 O ATOM 1736 CB ASN B 46 -13.809 -0.823 -11.425 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.700 0.041 -12.683 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -13.302 1.289 -12.449 1.00 0.00 O flip ATOM 1739 ND2 ASN B 46 -13.959 -0.395 -13.792 1.00 0.00 N flip ATOM 0 H ASN B 46 -12.038 -1.326 -9.598 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.278 -2.882 -11.760 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -14.815 -1.236 -11.349 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.650 -0.206 -10.541 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -14.259 -1.364 -13.902 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.875 0.209 -14.610 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.496 -1.334 -11.870 1.00 0.00 N ATOM 1747 CA GLY B 47 -9.349 -0.956 -12.677 1.00 0.00 C ATOM 1748 C GLY B 47 -8.982 0.512 -12.456 1.00 0.00 C ATOM 1749 O GLY B 47 -7.952 0.978 -12.941 1.00 0.00 O ATOM 0 H GLY B 47 -10.311 -1.395 -10.869 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.498 -1.589 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.570 -1.124 -13.731 1.00 0.00 H new ATOM 1753 N GLN B 48 -9.845 1.201 -11.723 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.624 2.607 -11.432 1.00 0.00 C ATOM 1755 C GLN B 48 -8.705 2.760 -10.218 1.00 0.00 C ATOM 1756 O GLN B 48 -8.161 1.776 -9.719 1.00 0.00 O ATOM 1757 CB GLN B 48 -10.951 3.336 -11.210 1.00 0.00 C ATOM 1758 CG GLN B 48 -11.486 3.912 -12.522 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.791 4.678 -12.293 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -12.621 5.973 -12.040 1.00 0.00 O flip ATOM 1761 NE2 GLN B 48 -13.880 4.130 -12.343 1.00 0.00 N flip ATOM 0 H GLN B 48 -10.698 0.811 -11.322 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.136 3.064 -12.293 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.682 2.647 -10.786 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.812 4.139 -10.486 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.742 4.577 -12.961 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.654 3.105 -13.236 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -13.940 3.131 -12.542 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -14.731 4.670 -12.186 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.560 4.002 -9.778 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.716 4.296 -8.633 1.00 0.00 C ATOM 1772 C LYS B 49 -8.314 5.469 -7.852 1.00 0.00 C ATOM 1773 O LYS B 49 -8.888 6.383 -8.442 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.271 4.526 -9.077 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.755 3.343 -9.899 1.00 0.00 C ATOM 1776 CD LYS B 49 -4.330 3.599 -10.394 1.00 0.00 C ATOM 1777 CE LYS B 49 -3.309 2.842 -9.542 1.00 0.00 C ATOM 1778 NZ LYS B 49 -2.900 1.589 -10.215 1.00 0.00 N ATOM 0 H LYS B 49 -9.013 4.816 -10.194 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.684 3.444 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.210 5.439 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.637 4.670 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.776 2.438 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.414 3.172 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.242 3.289 -11.435 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -4.116 4.667 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -2.435 3.470 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -3.738 2.614 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.182 0.774 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -3.362 1.527 -11.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -1.868 1.583 -10.340 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.158 5.404 -6.538 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.675 6.450 -5.671 1.00 0.00 C ATOM 1794 C ALA B 50 -7.575 6.897 -4.707 1.00 0.00 C ATOM 1795 O ALA B 50 -7.192 6.151 -3.807 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.918 5.939 -4.941 1.00 0.00 C ATOM 0 H ALA B 50 -7.681 4.644 -6.053 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.975 7.320 -6.255 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.306 6.723 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.680 5.662 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.655 5.067 -4.342 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.098 8.113 -4.927 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.049 8.669 -4.089 1.00 0.00 C ATOM 1804 C CYS B 51 -6.637 8.947 -2.704 1.00 0.00 C ATOM 1805 O CYS B 51 -7.750 9.460 -2.590 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.434 9.925 -4.710 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.824 9.662 -5.539 1.00 0.00 S ATOM 0 H CYS B 51 -7.419 8.729 -5.674 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.234 7.951 -3.999 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -6.137 10.336 -5.434 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.306 10.674 -3.929 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.865 8.596 -1.687 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.296 8.801 -0.315 1.00 0.00 C ATOM 1814 C LEU B 52 -5.440 9.896 0.326 1.00 0.00 C ATOM 1815 O LEU B 52 -4.382 10.246 -0.195 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.279 7.479 0.455 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.157 6.361 -0.112 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.726 4.997 0.429 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.638 6.640 0.151 1.00 0.00 C ATOM 0 H LEU B 52 -4.943 8.171 -1.785 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.329 9.146 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.251 7.120 0.498 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.592 7.675 1.481 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.021 6.336 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.366 4.221 0.010 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.691 4.805 0.147 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.813 4.992 1.515 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.240 5.830 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.810 6.709 1.225 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.921 7.580 -0.322 1.00 0.00 H new ATOM 1831 N ASN B 53 -5.930 10.406 1.446 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.224 11.454 2.163 1.00 0.00 C ATOM 1833 C ASN B 53 -4.531 10.851 3.386 1.00 0.00 C ATOM 1834 O ASN B 53 -5.191 10.342 4.291 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.190 12.535 2.652 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.440 13.819 3.012 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -4.417 14.152 2.438 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -6.005 14.518 3.992 1.00 0.00 N ATOM 0 H ASN B 53 -6.808 10.113 1.875 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.500 11.900 1.481 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -6.928 12.746 1.878 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.736 12.173 3.523 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -5.581 15.391 4.306 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -6.862 14.181 4.430 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.173 10.930 3.374 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.383 10.398 4.472 1.00 0.00 C ATOM 1847 C PRO B 54 -2.460 11.312 5.696 1.00 0.00 C ATOM 1848 O PRO B 54 -1.836 11.038 6.720 1.00 0.00 O ATOM 1849 CB PRO B 54 -0.974 10.268 3.915 1.00 0.00 C ATOM 1850 CG PRO B 54 -0.928 11.160 2.686 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.357 11.525 2.320 1.00 0.00 C ATOM 0 HA PRO B 54 -2.748 9.434 4.825 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.233 10.579 4.651 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.751 9.233 3.655 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.345 12.058 2.888 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.442 10.644 1.858 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.491 12.606 2.278 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.628 11.132 1.340 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.230 12.380 5.550 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.397 13.336 6.631 1.00 0.00 C ATOM 1861 C ALA B 55 -4.760 13.120 7.292 1.00 0.00 C ATOM 1862 O ALA B 55 -5.207 13.946 8.086 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.231 14.757 6.087 1.00 0.00 C ATOM 0 H ALA B 55 -3.745 12.604 4.699 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.633 13.188 7.395 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.356 15.474 6.898 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.236 14.867 5.655 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.982 14.943 5.319 1.00 0.00 H new ATOM 1869 N SER B 56 -5.382 12.004 6.940 1.00 0.00 N ATOM 1870 CA SER B 56 -6.685 11.669 7.489 1.00 0.00 C ATOM 1871 C SER B 56 -6.591 10.382 8.311 1.00 0.00 C ATOM 1872 O SER B 56 -5.841 9.471 7.961 1.00 0.00 O ATOM 1873 CB SER B 56 -7.727 11.516 6.380 1.00 0.00 C ATOM 1874 OG SER B 56 -8.948 10.966 6.866 1.00 0.00 O ATOM 0 H SER B 56 -5.008 11.321 6.282 1.00 0.00 H new ATOM 0 HA SER B 56 -7.003 12.485 8.138 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.922 12.489 5.929 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.328 10.875 5.594 1.00 0.00 H new ATOM 0 HG SER B 56 -9.587 10.886 6.128 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.383 10.346 9.415 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.397 9.185 10.289 1.00 0.00 C ATOM 1882 C PRO B 57 -8.171 8.029 9.654 1.00 0.00 C ATOM 1883 O PRO B 57 -7.907 6.864 9.947 1.00 0.00 O ATOM 1884 CB PRO B 57 -8.020 9.676 11.586 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.754 10.960 11.235 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.284 11.405 9.860 1.00 0.00 C ATOM 0 HA PRO B 57 -6.400 8.782 10.469 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.705 8.934 11.996 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.256 9.857 12.342 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.832 10.796 11.235 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.549 11.732 11.977 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.123 11.525 9.175 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.772 12.366 9.908 1.00 0.00 H new ATOM 1894 N MET B 58 -9.113 8.391 8.795 1.00 0.00 N ATOM 1895 CA MET B 58 -9.928 7.399 8.115 1.00 0.00 C ATOM 1896 C MET B 58 -9.139 6.712 6.999 1.00 0.00 C ATOM 1897 O MET B 58 -9.478 5.605 6.584 1.00 0.00 O ATOM 1898 CB MET B 58 -11.167 8.074 7.524 1.00 0.00 C ATOM 1899 CG MET B 58 -12.274 7.052 7.257 1.00 0.00 C ATOM 1900 SD MET B 58 -13.777 7.550 8.079 1.00 0.00 S ATOM 1901 CE MET B 58 -13.202 7.607 9.768 1.00 0.00 C ATOM 0 H MET B 58 -9.330 9.358 8.554 1.00 0.00 H new ATOM 0 HA MET B 58 -10.227 6.643 8.841 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.531 8.839 8.210 1.00 0.00 H new ATOM 0 HB3 MET B 58 -10.902 8.579 6.595 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.448 6.965 6.185 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.965 6.068 7.611 1.00 0.00 H new ATOM 0 HE1 MET B 58 -13.990 7.253 10.433 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.324 6.971 9.875 1.00 0.00 H new ATOM 0 HE3 MET B 58 -12.941 8.633 10.029 1.00 0.00 H new ATOM 1911 N VAL B 59 -8.100 7.397 6.545 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.259 6.867 5.485 1.00 0.00 C ATOM 1913 C VAL B 59 -6.258 5.876 6.082 1.00 0.00 C ATOM 1914 O VAL B 59 -5.587 5.150 5.350 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.587 8.014 4.727 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -5.456 7.494 3.837 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.609 8.804 3.909 1.00 0.00 C ATOM 0 H VAL B 59 -7.821 8.315 6.892 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.860 6.323 4.756 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.151 8.691 5.462 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.995 8.329 3.309 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.707 6.996 4.453 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.859 6.786 3.113 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -7.105 9.613 3.380 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.088 8.142 3.187 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.364 9.221 4.575 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.188 5.879 7.405 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.280 4.989 8.108 1.00 0.00 C ATOM 1929 C LYS B 60 -6.056 3.774 8.620 1.00 0.00 C ATOM 1930 O LYS B 60 -5.497 2.919 9.304 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.530 5.747 9.206 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.016 7.093 8.690 1.00 0.00 C ATOM 1933 CD LYS B 60 -2.734 6.914 7.875 1.00 0.00 C ATOM 1934 CE LYS B 60 -1.571 6.481 8.771 1.00 0.00 C ATOM 1935 NZ LYS B 60 -0.946 5.246 8.247 1.00 0.00 N ATOM 0 H LYS B 60 -6.745 6.484 8.009 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.513 4.615 7.430 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.191 5.908 10.058 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.693 5.146 9.561 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.780 7.566 8.073 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.827 7.761 9.531 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.895 6.169 7.096 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.483 7.849 7.374 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -0.829 7.277 8.824 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.930 6.312 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.087 4.471 8.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.384 4.994 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.073 5.404 8.109 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.334 3.738 8.269 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.193 2.642 8.684 1.00 0.00 C ATOM 1951 C LYS B 61 -8.697 1.898 7.446 1.00 0.00 C ATOM 1952 O LYS B 61 -9.199 0.780 7.551 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.313 3.154 9.592 1.00 0.00 C ATOM 1954 CG LYS B 61 -8.744 3.741 10.886 1.00 0.00 C ATOM 1955 CD LYS B 61 -9.542 3.264 12.101 1.00 0.00 C ATOM 1956 CE LYS B 61 -8.995 3.879 13.392 1.00 0.00 C ATOM 1957 NZ LYS B 61 -9.322 3.021 14.553 1.00 0.00 N ATOM 0 H LYS B 61 -7.795 4.450 7.702 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.632 1.924 9.282 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.893 3.914 9.068 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -9.996 2.338 9.828 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -7.700 3.448 10.994 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -8.766 4.830 10.836 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -10.591 3.535 11.981 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -9.499 2.177 12.165 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -7.915 4.001 13.315 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -9.418 4.873 13.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -8.944 3.452 15.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -10.354 2.926 14.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -8.898 2.081 14.420 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.546 2.548 6.302 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.980 1.961 5.045 1.00 0.00 C ATOM 1973 C ILE B 62 -7.823 1.171 4.430 1.00 0.00 C ATOM 1974 O ILE B 62 -8.036 0.332 3.556 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.550 3.038 4.120 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.700 3.789 4.795 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.968 2.440 2.775 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.786 5.230 4.288 1.00 0.00 C ATOM 0 H ILE B 62 -8.129 3.475 6.219 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.794 1.256 5.214 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.764 3.766 3.919 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.640 3.274 4.599 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.555 3.788 5.875 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -10.370 3.227 2.136 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -9.101 1.988 2.293 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.731 1.679 2.937 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.611 5.741 4.783 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.853 5.749 4.508 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -10.955 5.227 3.211 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.625 1.467 4.911 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.434 0.795 4.419 1.00 0.00 C ATOM 1992 C ILE B 63 -5.139 -0.420 5.300 1.00 0.00 C ATOM 1993 O ILE B 63 -5.076 -1.547 4.810 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.267 1.778 4.317 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.428 2.696 3.103 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.927 1.040 4.304 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.748 4.046 3.342 1.00 0.00 C ATOM 0 H ILE B 63 -6.453 2.163 5.636 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.597 0.424 3.407 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.276 2.412 5.204 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.998 2.219 2.222 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.487 2.850 2.897 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.114 1.763 4.231 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.819 0.465 5.224 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.891 0.366 3.448 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.877 4.679 2.464 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.197 4.531 4.209 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.685 3.891 3.524 1.00 0.00 H new ATOM 2009 N GLU B 64 -4.967 -0.151 6.586 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.680 -1.208 7.541 1.00 0.00 C ATOM 2011 C GLU B 64 -5.709 -2.333 7.412 1.00 0.00 C ATOM 2012 O GLU B 64 -5.372 -3.507 7.560 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.641 -0.661 8.969 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.471 0.306 9.154 1.00 0.00 C ATOM 2015 CD GLU B 64 -3.726 1.258 10.325 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.710 1.009 11.055 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -2.931 2.212 10.464 1.00 0.00 O ATOM 0 H GLU B 64 -5.021 0.784 6.989 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.694 -1.616 7.317 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.578 -0.151 9.192 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -4.551 -1.486 9.676 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.554 -0.256 9.331 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.321 0.880 8.240 1.00 0.00 H new ATOM 2024 N LYS B 65 -6.943 -1.935 7.138 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.023 -2.895 6.987 1.00 0.00 C ATOM 2026 C LYS B 65 -7.816 -3.691 5.697 1.00 0.00 C ATOM 2027 O LYS B 65 -8.072 -4.893 5.658 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.379 -2.192 7.065 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.864 -2.094 8.513 1.00 0.00 C ATOM 2030 CD LYS B 65 -11.355 -2.422 8.616 1.00 0.00 C ATOM 2031 CE LYS B 65 -12.198 -1.145 8.627 1.00 0.00 C ATOM 2032 NZ LYS B 65 -12.154 -0.484 7.303 1.00 0.00 N ATOM 0 H LYS B 65 -7.219 -0.960 7.017 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.013 -3.611 7.809 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.300 -1.193 6.636 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.110 -2.738 6.469 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.293 -2.780 9.139 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -9.682 -1.089 8.894 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.652 -3.051 7.776 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.543 -2.994 9.524 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -13.229 -1.385 8.886 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -11.827 -0.464 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -12.925 0.211 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -11.240 -0.001 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -12.266 -1.198 6.555 1.00 0.00 H new ATOM 2046 N MET B 66 -7.354 -2.988 4.673 1.00 0.00 N ATOM 2047 CA MET B 66 -7.110 -3.614 3.385 1.00 0.00 C ATOM 2048 C MET B 66 -6.152 -4.798 3.524 1.00 0.00 C ATOM 2049 O MET B 66 -6.352 -5.840 2.902 1.00 0.00 O ATOM 2050 CB MET B 66 -6.514 -2.585 2.422 1.00 0.00 C ATOM 2051 CG MET B 66 -7.416 -2.391 1.201 1.00 0.00 C ATOM 2052 SD MET B 66 -7.589 -3.932 0.318 1.00 0.00 S ATOM 2053 CE MET B 66 -5.891 -4.207 -0.160 1.00 0.00 C ATOM 0 H MET B 66 -7.142 -1.991 4.710 1.00 0.00 H new ATOM 0 HA MET B 66 -8.059 -3.982 2.995 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.383 -1.633 2.937 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.525 -2.912 2.100 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.395 -2.031 1.516 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.993 -1.631 0.544 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.860 -4.850 -1.040 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.419 -3.252 -0.392 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.356 -4.687 0.659 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.130 -4.599 4.344 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.140 -5.638 4.572 1.00 0.00 C ATOM 2065 C LEU B 67 -4.800 -6.816 5.290 1.00 0.00 C ATOM 2066 O LEU B 67 -4.245 -7.913 5.330 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.927 -5.068 5.311 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.960 -4.233 4.469 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.707 -3.144 3.697 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.839 -3.655 5.335 1.00 0.00 C ATOM 0 H LEU B 67 -4.966 -3.734 4.859 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.758 -6.016 3.624 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.285 -4.451 6.135 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.372 -5.897 5.751 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.494 -4.888 3.733 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.997 -2.565 3.107 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.439 -3.605 3.034 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.218 -2.485 4.399 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.165 -3.066 4.713 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.268 -3.018 6.109 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.283 -4.468 5.802 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.976 -6.550 5.840 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.717 -7.575 6.554 1.00 0.00 C ATOM 2084 C LYS B 68 -7.830 -8.115 5.653 1.00 0.00 C ATOM 2085 O LYS B 68 -8.294 -9.239 5.840 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.220 -7.037 7.895 1.00 0.00 C ATOM 2087 CG LYS B 68 -6.270 -7.422 9.031 1.00 0.00 C ATOM 2088 CD LYS B 68 -7.031 -7.595 10.347 1.00 0.00 C ATOM 2089 CE LYS B 68 -6.578 -6.563 11.382 1.00 0.00 C ATOM 2090 NZ LYS B 68 -7.670 -6.273 12.338 1.00 0.00 N ATOM 0 H LYS B 68 -6.434 -5.639 5.805 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.066 -8.415 6.797 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -7.311 -5.952 7.844 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -8.215 -7.432 8.099 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -5.754 -8.349 8.780 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -5.506 -6.654 9.147 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -8.101 -7.491 10.169 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -6.869 -8.600 10.736 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -5.706 -6.937 11.919 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -6.273 -5.645 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -7.345 -5.571 13.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -8.491 -5.896 11.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -7.942 -7.148 12.830 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.225 -7.290 4.695 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.274 -7.670 3.764 1.00 0.00 C ATOM 2106 C ASN B 69 -10.573 -7.910 4.537 1.00 0.00 C ATOM 2107 O ASN B 69 -11.461 -7.059 4.542 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.916 -8.964 3.030 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.100 -9.473 2.206 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.942 -8.717 1.749 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.118 -10.792 2.042 1.00 0.00 N ATOM 0 H ASN B 69 -7.837 -6.359 4.543 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.391 -6.864 3.040 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.061 -8.791 2.376 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.617 -9.724 3.751 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.868 -11.229 1.507 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.382 -11.367 2.452 1.00 0.00 H new