USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 959 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 NoAdj-H: A 101 HIS HE2 : A 101 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 86 ASN : amide:sc= -0.797 X(o=-0.14,f=-0.62) USER MOD Set 1.2: A 103 SER OG : rot -77:sc= 0.66! USER MOD Set 2.1: A 56 THR OG1 : rot -160:sc= -0.111 USER MOD Set 2.2: A 66 SER OG : rot 90:sc= -0.191 USER MOD Set 3.1: A 25 THR OG1 : rot -19:sc= 0.14 USER MOD Set 3.2: A 40 GLN : amide:sc= -3.76 K(o=-3.6,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0701 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.742 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.262 K(o=0.26,f=-1.9!) USER MOD Single : A 12 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.098) USER MOD Single : A 15 SER OG : rot 29:sc= 0.634 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 111:sc= -2.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.16! C(o=-5.2!,f=-16!) USER MOD Single : A 37 MET CE :methyl 139:sc= -2.42 (180deg=-7.49!) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -1.08 (180deg=-1.1) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.224 (180deg=-0.765) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.023 (180deg=-0.254) USER MOD Single : A 61 SER OG : rot -130:sc= 0.01 USER MOD Single : A 65 SER OG : rot -160:sc= -1.76! USER MOD Single : A 67 SER OG : rot -51:sc= 1.05 USER MOD Single : A 70 THR OG1 : rot -130:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 83 THR OG1 : rot -55:sc= 1.28 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 6:sc= 0.46 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 7:sc= -6.24! USER MOD Single : A 104 MET CE :methyl 142:sc= -0.306 (180deg=-1.14) USER MOD Single : A 111 LYS NZ :NH3+ 159:sc= -1.42 (180deg=-2.58!) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0718 USER MOD Single : A 118 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.282) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0912 X(o=-0.091,f=-0.091) USER MOD Single : A 123 SER OG : rot 89:sc= 0.0471 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.599 9.273 4.174 1.00 0.00 N ATOM 2 CA GLY A 1 31.453 8.676 5.489 1.00 0.00 C ATOM 3 C GLY A 1 30.313 7.680 5.550 1.00 0.00 C ATOM 4 O GLY A 1 29.546 7.544 4.597 1.00 0.00 O ATOM 0 H1 GLY A 1 32.551 9.073 3.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.887 8.873 3.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.464 10.302 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.382 8.177 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.284 9.462 6.225 1.00 0.00 H new ATOM 8 N SER A 2 30.202 6.979 6.674 1.00 0.00 N ATOM 9 CA SER A 2 29.150 5.985 6.854 1.00 0.00 C ATOM 10 C SER A 2 27.841 6.648 7.271 1.00 0.00 C ATOM 11 O SER A 2 27.778 7.338 8.288 1.00 0.00 O ATOM 12 CB SER A 2 29.569 4.953 7.903 1.00 0.00 C ATOM 13 OG SER A 2 30.294 3.889 7.311 1.00 0.00 O ATOM 0 H SER A 2 30.827 7.081 7.473 1.00 0.00 H new ATOM 0 HA SER A 2 28.994 5.481 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.181 5.434 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.685 4.560 8.404 1.00 0.00 H new ATOM 0 HG SER A 2 30.552 3.244 8.002 1.00 0.00 H new ATOM 19 N SER A 3 26.797 6.434 6.476 1.00 0.00 N ATOM 20 CA SER A 3 25.489 7.014 6.759 1.00 0.00 C ATOM 21 C SER A 3 24.372 6.054 6.361 1.00 0.00 C ATOM 22 O SER A 3 24.441 5.400 5.321 1.00 0.00 O ATOM 23 CB SER A 3 25.325 8.341 6.017 1.00 0.00 C ATOM 24 OG SER A 3 24.137 9.004 6.415 1.00 0.00 O ATOM 0 H SER A 3 26.832 5.863 5.631 1.00 0.00 H new ATOM 0 HA SER A 3 25.423 7.196 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.186 8.980 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.302 8.160 4.942 1.00 0.00 H new ATOM 0 HG SER A 3 24.056 9.850 5.928 1.00 0.00 H new ATOM 30 N GLY A 4 23.341 5.976 7.197 1.00 0.00 N ATOM 31 CA GLY A 4 22.223 5.095 6.916 1.00 0.00 C ATOM 32 C GLY A 4 21.408 4.779 8.155 1.00 0.00 C ATOM 33 O GLY A 4 21.914 4.179 9.103 1.00 0.00 O ATOM 0 H GLY A 4 23.260 6.507 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.578 5.558 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.596 4.167 6.484 1.00 0.00 H new ATOM 37 N SER A 5 20.142 5.185 8.148 1.00 0.00 N ATOM 38 CA SER A 5 19.257 4.947 9.282 1.00 0.00 C ATOM 39 C SER A 5 18.789 3.495 9.310 1.00 0.00 C ATOM 40 O SER A 5 18.048 3.053 8.433 1.00 0.00 O ATOM 41 CB SER A 5 18.049 5.883 9.218 1.00 0.00 C ATOM 42 OG SER A 5 17.257 5.616 8.073 1.00 0.00 O ATOM 0 H SER A 5 19.707 5.680 7.370 1.00 0.00 H new ATOM 0 HA SER A 5 19.815 5.148 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.445 5.764 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.388 6.919 9.196 1.00 0.00 H new ATOM 0 HG SER A 5 17.260 4.653 7.890 1.00 0.00 H new ATOM 48 N SER A 6 19.229 2.758 10.325 1.00 0.00 N ATOM 49 CA SER A 6 18.860 1.355 10.467 1.00 0.00 C ATOM 50 C SER A 6 19.235 0.831 11.850 1.00 0.00 C ATOM 51 O SER A 6 20.348 1.049 12.328 1.00 0.00 O ATOM 52 CB SER A 6 19.544 0.514 9.388 1.00 0.00 C ATOM 53 OG SER A 6 20.945 0.460 9.595 1.00 0.00 O ATOM 0 H SER A 6 19.841 3.110 11.061 1.00 0.00 H new ATOM 0 HA SER A 6 17.779 1.276 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.133 -0.496 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.334 0.937 8.406 1.00 0.00 H new ATOM 0 HG SER A 6 21.359 -0.085 8.893 1.00 0.00 H new ATOM 59 N GLY A 7 18.297 0.140 12.490 1.00 0.00 N ATOM 60 CA GLY A 7 18.547 -0.404 13.811 1.00 0.00 C ATOM 61 C GLY A 7 17.542 -1.471 14.199 1.00 0.00 C ATOM 62 O GLY A 7 17.877 -2.654 14.261 1.00 0.00 O ATOM 0 H GLY A 7 17.368 -0.053 12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.551 -0.827 13.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.517 0.402 14.544 1.00 0.00 H new ATOM 66 N GLU A 8 16.308 -1.052 14.463 1.00 0.00 N ATOM 67 CA GLU A 8 15.253 -1.981 14.849 1.00 0.00 C ATOM 68 C GLU A 8 14.283 -2.213 13.694 1.00 0.00 C ATOM 69 O GLU A 8 13.431 -1.374 13.408 1.00 0.00 O ATOM 70 CB GLU A 8 14.495 -1.449 16.067 1.00 0.00 C ATOM 71 CG GLU A 8 13.810 -2.535 16.880 1.00 0.00 C ATOM 72 CD GLU A 8 12.558 -3.064 16.207 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.822 -2.256 15.603 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.314 -4.286 16.286 1.00 0.00 O ATOM 0 H GLU A 8 16.015 -0.076 14.417 1.00 0.00 H new ATOM 0 HA GLU A 8 15.718 -2.932 15.107 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.190 -0.910 16.710 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.747 -0.730 15.733 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.507 -3.358 17.041 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.551 -2.140 17.862 1.00 0.00 H new ATOM 81 N ASN A 9 14.420 -3.359 13.035 1.00 0.00 N ATOM 82 CA ASN A 9 13.557 -3.702 11.911 1.00 0.00 C ATOM 83 C ASN A 9 12.088 -3.674 12.324 1.00 0.00 C ATOM 84 O ASN A 9 11.741 -3.881 13.487 1.00 0.00 O ATOM 85 CB ASN A 9 13.918 -5.086 11.367 1.00 0.00 C ATOM 86 CG ASN A 9 15.417 -5.306 11.296 1.00 0.00 C ATOM 87 OD1 ASN A 9 16.062 -5.587 12.306 1.00 0.00 O ATOM 88 ND2 ASN A 9 15.978 -5.178 10.100 1.00 0.00 N ATOM 0 H ASN A 9 15.120 -4.066 13.260 1.00 0.00 H new ATOM 0 HA ASN A 9 13.711 -2.959 11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.471 -5.851 12.002 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.488 -5.206 10.372 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.983 -5.314 9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.404 -4.944 9.290 1.00 0.00 H new ATOM 95 N PRO A 10 11.204 -3.412 11.350 1.00 0.00 N ATOM 96 CA PRO A 10 9.759 -3.351 11.587 1.00 0.00 C ATOM 97 C PRO A 10 9.164 -4.721 11.892 1.00 0.00 C ATOM 98 O PRO A 10 9.862 -5.734 11.853 1.00 0.00 O ATOM 99 CB PRO A 10 9.205 -2.809 10.267 1.00 0.00 C ATOM 100 CG PRO A 10 10.216 -3.198 9.244 1.00 0.00 C ATOM 101 CD PRO A 10 11.548 -3.155 9.941 1.00 0.00 C ATOM 0 HA PRO A 10 9.514 -2.735 12.452 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.229 -3.238 10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.077 -1.727 10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.012 -4.195 8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.197 -2.513 8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.231 -3.909 9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.036 -2.188 9.816 1.00 0.00 H new ATOM 109 N ARG A 11 7.870 -4.745 12.196 1.00 0.00 N ATOM 110 CA ARG A 11 7.182 -5.991 12.509 1.00 0.00 C ATOM 111 C ARG A 11 6.069 -6.265 11.501 1.00 0.00 C ATOM 112 O ARG A 11 6.017 -7.335 10.895 1.00 0.00 O ATOM 113 CB ARG A 11 6.601 -5.937 13.923 1.00 0.00 C ATOM 114 CG ARG A 11 6.523 -7.295 14.602 1.00 0.00 C ATOM 115 CD ARG A 11 5.523 -8.207 13.909 1.00 0.00 C ATOM 116 NE ARG A 11 6.125 -8.934 12.795 1.00 0.00 N ATOM 117 CZ ARG A 11 5.609 -10.042 12.276 1.00 0.00 C ATOM 118 NH1 ARG A 11 4.487 -10.548 12.767 1.00 0.00 N ATOM 119 NH2 ARG A 11 6.216 -10.646 11.262 1.00 0.00 N ATOM 0 H ARG A 11 7.278 -3.915 12.232 1.00 0.00 H new ATOM 0 HA ARG A 11 7.908 -6.802 12.453 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.211 -5.270 14.532 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.602 -5.504 13.880 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.508 -7.763 14.597 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.237 -7.165 15.646 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.121 -8.918 14.630 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.684 -7.614 13.544 1.00 0.00 H new ATOM 0 HE ARG A 11 6.989 -8.571 12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.017 -10.086 13.546 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.093 -11.399 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.079 -10.259 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.819 -11.497 10.864 1.00 0.00 H new ATOM 133 N ASN A 12 5.181 -5.292 11.328 1.00 0.00 N ATOM 134 CA ASN A 12 4.069 -5.429 10.395 1.00 0.00 C ATOM 135 C ASN A 12 4.504 -6.171 9.135 1.00 0.00 C ATOM 136 O ASN A 12 3.804 -7.061 8.653 1.00 0.00 O ATOM 137 CB ASN A 12 3.515 -4.052 10.024 1.00 0.00 C ATOM 138 CG ASN A 12 2.872 -3.349 11.204 1.00 0.00 C ATOM 139 OD1 ASN A 12 2.021 -3.916 11.890 1.00 0.00 O ATOM 140 ND2 ASN A 12 3.278 -2.108 11.446 1.00 0.00 N ATOM 0 H ASN A 12 5.210 -4.400 11.822 1.00 0.00 H new ATOM 0 HA ASN A 12 3.286 -6.009 10.884 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.322 -3.433 9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.781 -4.162 9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.882 -1.585 12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.986 -1.678 10.851 1.00 0.00 H new ATOM 147 N VAL A 13 5.665 -5.798 8.606 1.00 0.00 N ATOM 148 CA VAL A 13 6.196 -6.428 7.404 1.00 0.00 C ATOM 149 C VAL A 13 5.929 -7.929 7.407 1.00 0.00 C ATOM 150 O VAL A 13 6.485 -8.668 8.218 1.00 0.00 O ATOM 151 CB VAL A 13 7.711 -6.188 7.265 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.269 -6.964 6.082 1.00 0.00 C ATOM 153 CG2 VAL A 13 8.003 -4.702 7.124 1.00 0.00 C ATOM 0 H VAL A 13 6.256 -5.062 8.992 1.00 0.00 H new ATOM 0 HA VAL A 13 5.685 -5.972 6.556 1.00 0.00 H new ATOM 0 HB VAL A 13 8.203 -6.548 8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.341 -6.782 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.092 -8.029 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.775 -6.638 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.078 -4.550 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.500 -4.315 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.640 -4.175 8.006 1.00 0.00 H new ATOM 163 N GLY A 14 5.072 -8.375 6.492 1.00 0.00 N ATOM 164 CA GLY A 14 4.746 -9.786 6.406 1.00 0.00 C ATOM 165 C GLY A 14 4.597 -10.261 4.974 1.00 0.00 C ATOM 166 O GLY A 14 5.330 -9.822 4.088 1.00 0.00 O ATOM 0 H GLY A 14 4.598 -7.784 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.526 -10.367 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.818 -9.975 6.946 1.00 0.00 H new ATOM 170 N SER A 15 3.646 -11.161 4.747 1.00 0.00 N ATOM 171 CA SER A 15 3.407 -11.700 3.413 1.00 0.00 C ATOM 172 C SER A 15 2.114 -12.509 3.378 1.00 0.00 C ATOM 173 O SER A 15 1.977 -13.513 4.079 1.00 0.00 O ATOM 174 CB SER A 15 4.583 -12.576 2.975 1.00 0.00 C ATOM 175 OG SER A 15 4.729 -13.697 3.830 1.00 0.00 O ATOM 0 H SER A 15 3.029 -11.532 5.469 1.00 0.00 H new ATOM 0 HA SER A 15 3.310 -10.863 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.427 -12.914 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.501 -11.988 2.981 1.00 0.00 H new ATOM 0 HG SER A 15 3.857 -13.937 4.206 1.00 0.00 H new ATOM 181 N LEU A 16 1.169 -12.066 2.557 1.00 0.00 N ATOM 182 CA LEU A 16 -0.115 -12.748 2.429 1.00 0.00 C ATOM 183 C LEU A 16 -0.118 -13.678 1.220 1.00 0.00 C ATOM 184 O LEU A 16 0.789 -13.636 0.389 1.00 0.00 O ATOM 185 CB LEU A 16 -1.247 -11.727 2.304 1.00 0.00 C ATOM 186 CG LEU A 16 -1.400 -10.749 3.470 1.00 0.00 C ATOM 187 CD1 LEU A 16 -2.176 -9.516 3.034 1.00 0.00 C ATOM 188 CD2 LEU A 16 -2.088 -11.426 4.647 1.00 0.00 C ATOM 0 H LEU A 16 1.267 -11.238 1.970 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.272 -13.347 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.091 -11.152 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.186 -12.268 2.184 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.406 -10.434 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.275 -8.832 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.643 -9.019 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.167 -9.813 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.188 -10.716 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.076 -11.770 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.493 -12.278 4.976 1.00 0.00 H new ATOM 200 N ASP A 17 -1.145 -14.516 1.129 1.00 0.00 N ATOM 201 CA ASP A 17 -1.270 -15.455 0.020 1.00 0.00 C ATOM 202 C ASP A 17 -1.648 -14.729 -1.268 1.00 0.00 C ATOM 203 O ASP A 17 -2.810 -14.381 -1.479 1.00 0.00 O ATOM 204 CB ASP A 17 -2.315 -16.523 0.343 1.00 0.00 C ATOM 205 CG ASP A 17 -2.102 -17.799 -0.448 1.00 0.00 C ATOM 206 OD1 ASP A 17 -0.984 -17.994 -0.969 1.00 0.00 O ATOM 207 OD2 ASP A 17 -3.054 -18.603 -0.546 1.00 0.00 O ATOM 0 H ASP A 17 -1.903 -14.564 1.810 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.303 -15.936 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.281 -16.750 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.309 -16.130 0.132 1.00 0.00 H new ATOM 212 N LYS A 18 -0.658 -14.501 -2.125 1.00 0.00 N ATOM 213 CA LYS A 18 -0.886 -13.817 -3.392 1.00 0.00 C ATOM 214 C LYS A 18 -1.870 -14.593 -4.261 1.00 0.00 C ATOM 215 O LYS A 18 -2.485 -14.036 -5.171 1.00 0.00 O ATOM 216 CB LYS A 18 0.437 -13.633 -4.140 1.00 0.00 C ATOM 217 CG LYS A 18 0.810 -14.817 -5.016 1.00 0.00 C ATOM 218 CD LYS A 18 1.223 -16.018 -4.183 1.00 0.00 C ATOM 219 CE LYS A 18 2.681 -15.927 -3.758 1.00 0.00 C ATOM 220 NZ LYS A 18 3.603 -16.357 -4.845 1.00 0.00 N ATOM 0 H LYS A 18 0.310 -14.780 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.314 -12.838 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.373 -12.739 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.234 -13.462 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.037 -15.085 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.627 -14.536 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.589 -16.084 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.067 -16.931 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.912 -14.901 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.842 -16.549 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.587 -16.281 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.400 -17.344 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.467 -15.747 -5.677 1.00 0.00 H new ATOM 234 N THR A 19 -2.017 -15.883 -3.974 1.00 0.00 N ATOM 235 CA THR A 19 -2.927 -16.735 -4.729 1.00 0.00 C ATOM 236 C THR A 19 -4.380 -16.395 -4.422 1.00 0.00 C ATOM 237 O THR A 19 -5.210 -16.298 -5.326 1.00 0.00 O ATOM 238 CB THR A 19 -2.684 -18.225 -4.423 1.00 0.00 C ATOM 239 OG1 THR A 19 -2.739 -18.451 -3.010 1.00 0.00 O ATOM 240 CG2 THR A 19 -1.335 -18.676 -4.962 1.00 0.00 C ATOM 0 H THR A 19 -1.517 -16.360 -3.224 1.00 0.00 H new ATOM 0 HA THR A 19 -2.730 -16.552 -5.785 1.00 0.00 H new ATOM 0 HB THR A 19 -3.465 -18.805 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.539 -18.973 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.186 -19.731 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.308 -18.531 -6.042 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.543 -18.089 -4.497 1.00 0.00 H new ATOM 248 N SER A 20 -4.683 -16.214 -3.140 1.00 0.00 N ATOM 249 CA SER A 20 -6.039 -15.888 -2.714 1.00 0.00 C ATOM 250 C SER A 20 -6.595 -14.718 -3.521 1.00 0.00 C ATOM 251 O SER A 20 -5.911 -13.719 -3.740 1.00 0.00 O ATOM 252 CB SER A 20 -6.059 -15.548 -1.222 1.00 0.00 C ATOM 253 OG SER A 20 -6.080 -16.724 -0.432 1.00 0.00 O ATOM 0 H SER A 20 -4.008 -16.288 -2.379 1.00 0.00 H new ATOM 0 HA SER A 20 -6.669 -16.760 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.182 -14.952 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.934 -14.939 -0.996 1.00 0.00 H new ATOM 0 HG SER A 20 -6.091 -16.480 0.517 1.00 0.00 H new ATOM 259 N LYS A 21 -7.842 -14.851 -3.960 1.00 0.00 N ATOM 260 CA LYS A 21 -8.494 -13.807 -4.742 1.00 0.00 C ATOM 261 C LYS A 21 -9.053 -12.716 -3.834 1.00 0.00 C ATOM 262 O LYS A 21 -9.407 -11.633 -4.295 1.00 0.00 O ATOM 263 CB LYS A 21 -9.618 -14.404 -5.591 1.00 0.00 C ATOM 264 CG LYS A 21 -10.730 -15.035 -4.771 1.00 0.00 C ATOM 265 CD LYS A 21 -10.556 -16.540 -4.660 1.00 0.00 C ATOM 266 CE LYS A 21 -11.870 -17.231 -4.326 1.00 0.00 C ATOM 267 NZ LYS A 21 -11.828 -18.685 -4.641 1.00 0.00 N ATOM 0 H LYS A 21 -8.422 -15.672 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.748 -13.361 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.041 -13.621 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.198 -15.157 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.743 -14.595 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.693 -14.812 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.166 -16.932 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.819 -16.766 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.093 -17.095 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.679 -16.762 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.742 -19.119 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.641 -18.815 -5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.072 -19.138 -4.089 1.00 0.00 H new ATOM 281 N ASN A 22 -9.127 -13.010 -2.540 1.00 0.00 N ATOM 282 CA ASN A 22 -9.642 -12.054 -1.567 1.00 0.00 C ATOM 283 C ASN A 22 -8.594 -10.994 -1.239 1.00 0.00 C ATOM 284 O ASN A 22 -8.928 -9.857 -0.905 1.00 0.00 O ATOM 285 CB ASN A 22 -10.071 -12.776 -0.288 1.00 0.00 C ATOM 286 CG ASN A 22 -8.925 -12.949 0.690 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.289 -11.977 1.097 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.657 -14.192 1.073 1.00 0.00 N ATOM 0 H ASN A 22 -8.837 -13.903 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.509 -11.560 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.873 -12.214 0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.477 -13.755 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.898 -14.371 1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.210 -14.968 0.710 1.00 0.00 H new ATOM 295 N VAL A 23 -7.324 -11.375 -1.337 1.00 0.00 N ATOM 296 CA VAL A 23 -6.227 -10.458 -1.052 1.00 0.00 C ATOM 297 C VAL A 23 -5.532 -10.018 -2.336 1.00 0.00 C ATOM 298 O VAL A 23 -4.931 -10.829 -3.039 1.00 0.00 O ATOM 299 CB VAL A 23 -5.188 -11.100 -0.114 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.780 -12.473 -0.628 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.974 -10.196 0.035 1.00 0.00 C ATOM 0 H VAL A 23 -7.030 -12.312 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.661 -9.588 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.642 -11.226 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.045 -12.911 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.657 -13.118 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.345 -12.375 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.250 -10.666 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.518 -10.036 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.283 -9.238 0.453 1.00 0.00 H new ATOM 311 N GLY A 24 -5.619 -8.725 -2.636 1.00 0.00 N ATOM 312 CA GLY A 24 -4.994 -8.198 -3.835 1.00 0.00 C ATOM 313 C GLY A 24 -3.531 -7.861 -3.626 1.00 0.00 C ATOM 314 O GLY A 24 -3.110 -7.554 -2.510 1.00 0.00 O ATOM 0 H GLY A 24 -6.111 -8.034 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.084 -8.928 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.528 -7.303 -4.156 1.00 0.00 H new ATOM 318 N THR A 25 -2.753 -7.919 -4.702 1.00 0.00 N ATOM 319 CA THR A 25 -1.328 -7.621 -4.631 1.00 0.00 C ATOM 320 C THR A 25 -0.970 -6.435 -5.520 1.00 0.00 C ATOM 321 O THR A 25 -1.180 -6.469 -6.732 1.00 0.00 O ATOM 322 CB THR A 25 -0.478 -8.835 -5.048 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.952 -10.015 -4.389 1.00 0.00 O ATOM 324 CG2 THR A 25 0.988 -8.612 -4.709 1.00 0.00 C ATOM 0 H THR A 25 -3.086 -8.170 -5.633 1.00 0.00 H new ATOM 0 HA THR A 25 -1.108 -7.373 -3.592 1.00 0.00 H new ATOM 0 HB THR A 25 -0.569 -8.961 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.497 -9.761 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.568 -9.483 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.353 -7.731 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.094 -8.462 -3.635 1.00 0.00 H new ATOM 332 N GLY A 26 -0.427 -5.386 -4.909 1.00 0.00 N ATOM 333 CA GLY A 26 -0.048 -4.204 -5.661 1.00 0.00 C ATOM 334 C GLY A 26 1.410 -3.838 -5.470 1.00 0.00 C ATOM 335 O GLY A 26 1.807 -3.378 -4.398 1.00 0.00 O ATOM 0 H GLY A 26 -0.243 -5.334 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.241 -4.374 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.673 -3.366 -5.354 1.00 0.00 H new ATOM 339 N LEU A 27 2.212 -4.044 -6.509 1.00 0.00 N ATOM 340 CA LEU A 27 3.636 -3.734 -6.450 1.00 0.00 C ATOM 341 C LEU A 27 3.972 -2.547 -7.347 1.00 0.00 C ATOM 342 O LEU A 27 3.650 -2.542 -8.535 1.00 0.00 O ATOM 343 CB LEU A 27 4.461 -4.953 -6.867 1.00 0.00 C ATOM 344 CG LEU A 27 5.954 -4.708 -7.090 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.575 -4.046 -5.870 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.666 -6.014 -7.411 1.00 0.00 C ATOM 0 H LEU A 27 1.900 -4.424 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 27 3.883 -3.470 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.350 -5.721 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.038 -5.356 -7.787 1.00 0.00 H new ATOM 0 HG LEU A 27 6.069 -4.036 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.638 -3.880 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.084 -3.091 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.449 -4.693 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.727 -5.821 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.542 -6.710 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.240 -6.448 -8.315 1.00 0.00 H new ATOM 358 N VAL A 28 4.624 -1.542 -6.771 1.00 0.00 N ATOM 359 CA VAL A 28 5.008 -0.351 -7.519 1.00 0.00 C ATOM 360 C VAL A 28 6.372 0.163 -7.071 1.00 0.00 C ATOM 361 O VAL A 28 6.533 0.628 -5.944 1.00 0.00 O ATOM 362 CB VAL A 28 3.968 0.774 -7.354 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.645 0.375 -7.988 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.783 1.117 -5.884 1.00 0.00 C ATOM 0 H VAL A 28 4.897 -1.529 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 28 5.058 -0.639 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 28 4.335 1.663 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.923 1.182 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.794 0.184 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.268 -0.528 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.045 1.913 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.438 0.235 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.733 1.449 -5.466 1.00 0.00 H new ATOM 374 N GLY A 29 7.353 0.078 -7.965 1.00 0.00 N ATOM 375 CA GLY A 29 8.691 0.538 -7.644 1.00 0.00 C ATOM 376 C GLY A 29 9.069 1.795 -8.403 1.00 0.00 C ATOM 377 O GLY A 29 8.387 2.185 -9.350 1.00 0.00 O ATOM 0 H GLY A 29 7.244 -0.301 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.759 0.729 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.408 -0.251 -7.873 1.00 0.00 H new ATOM 381 N ALA A 30 10.159 2.431 -7.986 1.00 0.00 N ATOM 382 CA ALA A 30 10.627 3.650 -8.633 1.00 0.00 C ATOM 383 C ALA A 30 11.695 3.342 -9.677 1.00 0.00 C ATOM 384 O ALA A 30 12.652 2.611 -9.423 1.00 0.00 O ATOM 385 CB ALA A 30 11.165 4.625 -7.596 1.00 0.00 C ATOM 0 H ALA A 30 10.734 2.122 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 30 9.780 4.110 -9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.511 5.531 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.374 4.878 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.996 4.165 -7.061 1.00 0.00 H new ATOM 391 N PRO A 31 11.529 3.912 -10.880 1.00 0.00 N ATOM 392 CA PRO A 31 12.470 3.712 -11.986 1.00 0.00 C ATOM 393 C PRO A 31 13.810 4.396 -11.738 1.00 0.00 C ATOM 394 O PRO A 31 14.868 3.799 -11.936 1.00 0.00 O ATOM 395 CB PRO A 31 11.755 4.353 -13.179 1.00 0.00 C ATOM 396 CG PRO A 31 10.843 5.364 -12.575 1.00 0.00 C ATOM 397 CD PRO A 31 10.411 4.795 -11.252 1.00 0.00 C ATOM 0 HA PRO A 31 12.711 2.659 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.465 4.819 -13.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.199 3.611 -13.753 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.352 6.318 -12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.984 5.549 -13.220 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.253 5.578 -10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.475 4.244 -11.338 1.00 0.00 H new ATOM 405 N ALA A 32 13.758 5.651 -11.304 1.00 0.00 N ATOM 406 CA ALA A 32 14.968 6.415 -11.026 1.00 0.00 C ATOM 407 C ALA A 32 15.634 5.940 -9.739 1.00 0.00 C ATOM 408 O ALA A 32 16.720 5.360 -9.767 1.00 0.00 O ATOM 409 CB ALA A 32 14.647 7.899 -10.940 1.00 0.00 C ATOM 0 H ALA A 32 12.890 6.160 -11.137 1.00 0.00 H new ATOM 0 HA ALA A 32 15.667 6.253 -11.847 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.560 8.457 -10.732 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.224 8.235 -11.887 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.927 8.070 -10.140 1.00 0.00 H new ATOM 415 N CYS A 33 14.977 6.190 -8.612 1.00 0.00 N ATOM 416 CA CYS A 33 15.505 5.789 -7.313 1.00 0.00 C ATOM 417 C CYS A 33 15.787 4.290 -7.280 1.00 0.00 C ATOM 418 O CYS A 33 16.774 3.846 -6.695 1.00 0.00 O ATOM 419 CB CYS A 33 14.520 6.158 -6.203 1.00 0.00 C ATOM 420 SG CYS A 33 15.250 6.167 -4.534 1.00 0.00 S ATOM 0 H CYS A 33 14.077 6.669 -8.572 1.00 0.00 H new ATOM 0 HA CYS A 33 16.442 6.321 -7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.106 7.144 -6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.689 5.453 -6.221 1.00 0.00 H new ATOM 425 N GLY A 34 14.913 3.514 -7.914 1.00 0.00 N ATOM 426 CA GLY A 34 15.085 2.073 -7.945 1.00 0.00 C ATOM 427 C GLY A 34 14.614 1.405 -6.669 1.00 0.00 C ATOM 428 O GLY A 34 15.399 0.765 -5.969 1.00 0.00 O ATOM 0 H GLY A 34 14.089 3.858 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.534 1.663 -8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.137 1.839 -8.107 1.00 0.00 H new ATOM 432 N ASP A 35 13.330 1.555 -6.364 1.00 0.00 N ATOM 433 CA ASP A 35 12.755 0.961 -5.162 1.00 0.00 C ATOM 434 C ASP A 35 11.712 -0.093 -5.522 1.00 0.00 C ATOM 435 O ASP A 35 11.196 -0.114 -6.640 1.00 0.00 O ATOM 436 CB ASP A 35 12.123 2.043 -4.285 1.00 0.00 C ATOM 437 CG ASP A 35 12.931 3.325 -4.275 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.131 3.274 -4.621 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.365 4.381 -3.923 1.00 0.00 O ATOM 0 H ASP A 35 12.667 2.083 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 35 13.558 0.477 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.116 2.255 -4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.027 1.670 -3.265 1.00 0.00 H new ATOM 444 N VAL A 36 11.407 -0.966 -4.568 1.00 0.00 N ATOM 445 CA VAL A 36 10.426 -2.023 -4.784 1.00 0.00 C ATOM 446 C VAL A 36 9.472 -2.138 -3.600 1.00 0.00 C ATOM 447 O VAL A 36 9.785 -2.781 -2.599 1.00 0.00 O ATOM 448 CB VAL A 36 11.109 -3.385 -5.013 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.073 -4.460 -5.303 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.121 -3.289 -6.145 1.00 0.00 C ATOM 0 H VAL A 36 11.825 -0.962 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 36 9.862 -1.753 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 36 11.641 -3.663 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.574 -5.415 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.390 -4.545 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.511 -4.192 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.594 -4.260 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.614 -2.989 -7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.881 -2.550 -5.892 1.00 0.00 H new ATOM 460 N MET A 37 8.308 -1.510 -3.723 1.00 0.00 N ATOM 461 CA MET A 37 7.307 -1.544 -2.663 1.00 0.00 C ATOM 462 C MET A 37 6.153 -2.470 -3.034 1.00 0.00 C ATOM 463 O MET A 37 5.316 -2.131 -3.871 1.00 0.00 O ATOM 464 CB MET A 37 6.777 -0.135 -2.387 1.00 0.00 C ATOM 465 CG MET A 37 6.024 -0.015 -1.072 1.00 0.00 C ATOM 466 SD MET A 37 4.259 -0.342 -1.251 1.00 0.00 S ATOM 467 CE MET A 37 3.566 1.157 -0.558 1.00 0.00 C ATOM 0 H MET A 37 8.034 -0.972 -4.545 1.00 0.00 H new ATOM 0 HA MET A 37 7.783 -1.929 -1.761 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.613 0.564 -2.382 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.117 0.162 -3.202 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.448 -0.713 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.165 0.987 -0.667 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.719 1.480 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.231 0.966 0.462 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.325 1.939 -0.550 1.00 0.00 H new ATOM 477 N LYS A 38 6.114 -3.640 -2.406 1.00 0.00 N ATOM 478 CA LYS A 38 5.063 -4.616 -2.669 1.00 0.00 C ATOM 479 C LYS A 38 3.975 -4.544 -1.602 1.00 0.00 C ATOM 480 O LYS A 38 4.171 -4.989 -0.470 1.00 0.00 O ATOM 481 CB LYS A 38 5.650 -6.028 -2.720 1.00 0.00 C ATOM 482 CG LYS A 38 4.711 -7.055 -3.329 1.00 0.00 C ATOM 483 CD LYS A 38 5.467 -8.279 -3.820 1.00 0.00 C ATOM 484 CE LYS A 38 4.655 -9.064 -4.839 1.00 0.00 C ATOM 485 NZ LYS A 38 4.881 -8.573 -6.226 1.00 0.00 N ATOM 0 H LYS A 38 6.799 -3.936 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 38 4.616 -4.380 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.575 -6.007 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.911 -6.341 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.970 -7.356 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.167 -6.605 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.412 -7.969 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.710 -8.922 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.921 -10.119 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.595 -8.988 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.405 -9.206 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.495 -7.612 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.901 -8.558 -6.427 1.00 0.00 H new ATOM 499 N LEU A 39 2.828 -3.983 -1.969 1.00 0.00 N ATOM 500 CA LEU A 39 1.708 -3.855 -1.044 1.00 0.00 C ATOM 501 C LEU A 39 0.763 -5.046 -1.164 1.00 0.00 C ATOM 502 O LEU A 39 0.523 -5.551 -2.261 1.00 0.00 O ATOM 503 CB LEU A 39 0.946 -2.556 -1.311 1.00 0.00 C ATOM 504 CG LEU A 39 0.166 -1.980 -0.129 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.093 -1.206 0.796 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.966 -1.089 -0.620 1.00 0.00 C ATOM 0 H LEU A 39 2.649 -3.609 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 39 2.108 -3.833 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.658 -1.804 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.249 -2.729 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.267 -2.807 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.520 -0.803 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.868 -1.872 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.556 -0.387 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.510 -0.688 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.554 -0.267 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.645 -1.673 -1.241 1.00 0.00 H new ATOM 518 N GLN A 40 0.228 -5.488 -0.030 1.00 0.00 N ATOM 519 CA GLN A 40 -0.692 -6.618 -0.010 1.00 0.00 C ATOM 520 C GLN A 40 -1.773 -6.422 1.048 1.00 0.00 C ATOM 521 O GLN A 40 -1.474 -6.257 2.231 1.00 0.00 O ATOM 522 CB GLN A 40 0.069 -7.918 0.257 1.00 0.00 C ATOM 523 CG GLN A 40 0.733 -8.499 -0.981 1.00 0.00 C ATOM 524 CD GLN A 40 -0.172 -9.453 -1.736 1.00 0.00 C ATOM 525 OE1 GLN A 40 -1.302 -9.110 -2.083 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.321 -10.658 -1.994 1.00 0.00 N ATOM 0 H GLN A 40 0.416 -5.081 0.886 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.172 -6.680 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.830 -7.735 1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.620 -8.655 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.032 -7.687 -1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.643 -9.023 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.263 -10.900 -1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.242 -11.342 -2.499 1.00 0.00 H new ATOM 535 N ILE A 41 -3.029 -6.440 0.615 1.00 0.00 N ATOM 536 CA ILE A 41 -4.153 -6.264 1.525 1.00 0.00 C ATOM 537 C ILE A 41 -5.173 -7.386 1.362 1.00 0.00 C ATOM 538 O ILE A 41 -5.582 -7.708 0.247 1.00 0.00 O ATOM 539 CB ILE A 41 -4.854 -4.912 1.300 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.488 -4.867 -0.092 1.00 0.00 C ATOM 541 CG2 ILE A 41 -3.867 -3.768 1.475 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.920 -5.355 -0.120 1.00 0.00 C ATOM 0 H ILE A 41 -3.293 -6.575 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.747 -6.289 2.536 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.644 -4.801 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.454 -3.843 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.892 -5.474 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.378 -2.819 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.458 -3.792 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.057 -3.872 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.305 -5.295 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.959 -6.389 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.529 -4.733 0.536 1.00 0.00 H new ATOM 554 N GLN A 42 -5.580 -7.976 2.482 1.00 0.00 N ATOM 555 CA GLN A 42 -6.554 -9.061 2.462 1.00 0.00 C ATOM 556 C GLN A 42 -7.967 -8.528 2.670 1.00 0.00 C ATOM 557 O GLN A 42 -8.273 -7.936 3.705 1.00 0.00 O ATOM 558 CB GLN A 42 -6.221 -10.092 3.542 1.00 0.00 C ATOM 559 CG GLN A 42 -6.961 -11.409 3.374 1.00 0.00 C ATOM 560 CD GLN A 42 -6.892 -12.280 4.613 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.234 -11.843 5.713 1.00 0.00 O ATOM 562 NE2 GLN A 42 -6.448 -13.519 4.442 1.00 0.00 N ATOM 0 H GLN A 42 -5.251 -7.721 3.413 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.507 -9.540 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.148 -10.284 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.460 -9.672 4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.005 -11.207 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.540 -11.953 2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.175 -13.839 3.513 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.379 -14.151 5.240 1.00 0.00 H new ATOM 571 N VAL A 43 -8.827 -8.743 1.680 1.00 0.00 N ATOM 572 CA VAL A 43 -10.209 -8.285 1.754 1.00 0.00 C ATOM 573 C VAL A 43 -11.133 -9.399 2.234 1.00 0.00 C ATOM 574 O VAL A 43 -10.932 -10.569 1.907 1.00 0.00 O ATOM 575 CB VAL A 43 -10.706 -7.774 0.389 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.158 -7.329 0.480 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.823 -6.639 -0.109 1.00 0.00 C ATOM 0 H VAL A 43 -8.591 -9.232 0.817 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.231 -7.464 2.471 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.646 -8.593 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.491 -6.971 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.778 -8.171 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.247 -6.526 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.189 -6.290 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.848 -5.817 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.798 -6.995 -0.216 1.00 0.00 H new ATOM 587 N ASP A 44 -12.144 -9.028 3.011 1.00 0.00 N ATOM 588 CA ASP A 44 -13.101 -9.996 3.535 1.00 0.00 C ATOM 589 C ASP A 44 -14.325 -10.094 2.631 1.00 0.00 C ATOM 590 O ASP A 44 -14.380 -9.466 1.575 1.00 0.00 O ATOM 591 CB ASP A 44 -13.527 -9.608 4.952 1.00 0.00 C ATOM 592 CG ASP A 44 -13.935 -10.808 5.783 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.062 -11.651 6.079 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.129 -10.905 6.138 1.00 0.00 O ATOM 0 H ASP A 44 -12.322 -8.064 3.292 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.615 -10.971 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.705 -9.090 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.360 -8.907 4.899 1.00 0.00 H new ATOM 599 N GLU A 45 -15.305 -10.888 3.054 1.00 0.00 N ATOM 600 CA GLU A 45 -16.528 -11.069 2.281 1.00 0.00 C ATOM 601 C GLU A 45 -17.276 -9.748 2.128 1.00 0.00 C ATOM 602 O GLU A 45 -17.864 -9.472 1.082 1.00 0.00 O ATOM 603 CB GLU A 45 -17.432 -12.105 2.951 1.00 0.00 C ATOM 604 CG GLU A 45 -17.785 -11.766 4.390 1.00 0.00 C ATOM 605 CD GLU A 45 -18.124 -12.994 5.213 1.00 0.00 C ATOM 606 OE1 GLU A 45 -17.363 -13.981 5.145 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.151 -12.967 5.923 1.00 0.00 O ATOM 0 H GLU A 45 -15.275 -11.415 3.927 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.251 -11.426 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.351 -12.200 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.938 -13.076 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.947 -11.244 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.633 -11.081 4.400 1.00 0.00 H new ATOM 614 N LYS A 46 -17.249 -8.935 3.179 1.00 0.00 N ATOM 615 CA LYS A 46 -17.923 -7.642 3.163 1.00 0.00 C ATOM 616 C LYS A 46 -17.192 -6.658 2.255 1.00 0.00 C ATOM 617 O LYS A 46 -17.785 -5.704 1.753 1.00 0.00 O ATOM 618 CB LYS A 46 -18.013 -7.074 4.581 1.00 0.00 C ATOM 619 CG LYS A 46 -18.791 -7.957 5.542 1.00 0.00 C ATOM 620 CD LYS A 46 -19.480 -7.136 6.620 1.00 0.00 C ATOM 621 CE LYS A 46 -20.456 -7.980 7.424 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.867 -7.303 8.685 1.00 0.00 N ATOM 0 H LYS A 46 -16.768 -9.149 4.052 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.930 -7.790 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -17.005 -6.928 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.484 -6.092 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.535 -8.531 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -18.115 -8.675 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.732 -6.708 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -20.011 -6.302 6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.339 -8.189 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.997 -8.940 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.532 -7.911 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.028 -7.126 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.328 -6.399 8.459 1.00 0.00 H new ATOM 636 N GLY A 47 -15.901 -6.898 2.048 1.00 0.00 N ATOM 637 CA GLY A 47 -15.112 -6.025 1.199 1.00 0.00 C ATOM 638 C GLY A 47 -14.284 -5.036 1.995 1.00 0.00 C ATOM 639 O GLY A 47 -13.918 -3.973 1.492 1.00 0.00 O ATOM 0 H GLY A 47 -15.388 -7.681 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.452 -6.629 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.775 -5.481 0.527 1.00 0.00 H new ATOM 643 N LYS A 48 -13.989 -5.383 3.243 1.00 0.00 N ATOM 644 CA LYS A 48 -13.200 -4.518 4.113 1.00 0.00 C ATOM 645 C LYS A 48 -11.814 -5.109 4.355 1.00 0.00 C ATOM 646 O LYS A 48 -11.675 -6.307 4.604 1.00 0.00 O ATOM 647 CB LYS A 48 -13.918 -4.311 5.448 1.00 0.00 C ATOM 648 CG LYS A 48 -13.195 -3.360 6.386 1.00 0.00 C ATOM 649 CD LYS A 48 -12.257 -4.105 7.321 1.00 0.00 C ATOM 650 CE LYS A 48 -12.955 -4.500 8.613 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.757 -5.745 8.452 1.00 0.00 N ATOM 0 H LYS A 48 -14.285 -6.258 3.675 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.084 -3.554 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.920 -3.927 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.035 -5.276 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.628 -2.634 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.924 -2.800 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.879 -4.998 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.395 -3.478 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.212 -4.645 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.606 -3.688 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.919 -6.176 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.671 -5.515 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.241 -6.414 7.846 1.00 0.00 H new ATOM 665 N ILE A 49 -10.794 -4.261 4.282 1.00 0.00 N ATOM 666 CA ILE A 49 -9.420 -4.699 4.496 1.00 0.00 C ATOM 667 C ILE A 49 -9.200 -5.131 5.941 1.00 0.00 C ATOM 668 O ILE A 49 -9.251 -4.313 6.860 1.00 0.00 O ATOM 669 CB ILE A 49 -8.414 -3.587 4.145 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.454 -3.287 2.645 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.010 -3.989 4.573 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.109 -1.854 2.307 1.00 0.00 C ATOM 0 H ILE A 49 -10.893 -3.267 4.076 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.253 -5.550 3.836 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.693 -2.682 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.759 -3.951 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.450 -3.512 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.310 -3.193 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.992 -4.157 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.721 -4.905 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.157 -1.713 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.819 -1.185 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.101 -1.630 2.657 1.00 0.00 H new ATOM 684 N VAL A 50 -8.954 -6.423 6.136 1.00 0.00 N ATOM 685 CA VAL A 50 -8.722 -6.965 7.470 1.00 0.00 C ATOM 686 C VAL A 50 -7.231 -7.057 7.774 1.00 0.00 C ATOM 687 O VAL A 50 -6.814 -6.937 8.926 1.00 0.00 O ATOM 688 CB VAL A 50 -9.354 -8.361 7.626 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.872 -8.261 7.643 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.885 -9.285 6.513 1.00 0.00 C ATOM 0 H VAL A 50 -8.910 -7.114 5.387 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.192 -6.281 8.176 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.031 -8.783 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.301 -9.257 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.186 -7.635 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.218 -7.819 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.341 -10.267 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.177 -8.870 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.800 -9.381 6.553 1.00 0.00 H new ATOM 700 N ASP A 51 -6.433 -7.271 6.734 1.00 0.00 N ATOM 701 CA ASP A 51 -4.987 -7.377 6.890 1.00 0.00 C ATOM 702 C ASP A 51 -4.263 -6.600 5.795 1.00 0.00 C ATOM 703 O ASP A 51 -4.738 -6.516 4.663 1.00 0.00 O ATOM 704 CB ASP A 51 -4.556 -8.845 6.860 1.00 0.00 C ATOM 705 CG ASP A 51 -4.637 -9.500 8.225 1.00 0.00 C ATOM 706 OD1 ASP A 51 -4.370 -8.809 9.231 1.00 0.00 O ATOM 707 OD2 ASP A 51 -4.966 -10.703 8.288 1.00 0.00 O ATOM 0 H ASP A 51 -6.763 -7.374 5.774 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.718 -6.946 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.187 -9.392 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.534 -8.913 6.488 1.00 0.00 H new ATOM 712 N ALA A 52 -3.113 -6.032 6.141 1.00 0.00 N ATOM 713 CA ALA A 52 -2.324 -5.262 5.187 1.00 0.00 C ATOM 714 C ALA A 52 -0.831 -5.438 5.441 1.00 0.00 C ATOM 715 O ALA A 52 -0.393 -5.527 6.589 1.00 0.00 O ATOM 716 CB ALA A 52 -2.703 -3.790 5.255 1.00 0.00 C ATOM 0 H ALA A 52 -2.707 -6.090 7.075 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.542 -5.636 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.106 -3.227 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.760 -3.675 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.514 -3.412 6.260 1.00 0.00 H new ATOM 722 N ARG A 53 -0.054 -5.488 4.364 1.00 0.00 N ATOM 723 CA ARG A 53 1.391 -5.655 4.472 1.00 0.00 C ATOM 724 C ARG A 53 2.121 -4.664 3.571 1.00 0.00 C ATOM 725 O ARG A 53 1.567 -4.181 2.583 1.00 0.00 O ATOM 726 CB ARG A 53 1.789 -7.085 4.102 1.00 0.00 C ATOM 727 CG ARG A 53 1.082 -8.147 4.928 1.00 0.00 C ATOM 728 CD ARG A 53 1.574 -8.153 6.367 1.00 0.00 C ATOM 729 NE ARG A 53 1.226 -9.390 7.060 1.00 0.00 N ATOM 730 CZ ARG A 53 0.001 -9.671 7.490 1.00 0.00 C ATOM 731 NH1 ARG A 53 -0.987 -8.808 7.299 1.00 0.00 N ATOM 732 NH2 ARG A 53 -0.238 -10.819 8.113 1.00 0.00 N ATOM 0 H ARG A 53 -0.400 -5.415 3.407 1.00 0.00 H new ATOM 0 HA ARG A 53 1.678 -5.461 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.571 -7.252 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.866 -7.197 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.007 -7.967 4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.248 -9.127 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.656 -8.022 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.144 -7.305 6.901 1.00 0.00 H new ATOM 0 HE ARG A 53 1.963 -10.076 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.808 -7.925 6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.927 -9.027 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.519 -11.486 8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.179 -11.034 8.443 1.00 0.00 H new ATOM 746 N PHE A 54 3.368 -4.364 3.919 1.00 0.00 N ATOM 747 CA PHE A 54 4.174 -3.428 3.143 1.00 0.00 C ATOM 748 C PHE A 54 5.638 -3.860 3.121 1.00 0.00 C ATOM 749 O PHE A 54 6.248 -4.082 4.167 1.00 0.00 O ATOM 750 CB PHE A 54 4.056 -2.017 3.724 1.00 0.00 C ATOM 751 CG PHE A 54 5.010 -1.752 4.853 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.677 -2.094 6.154 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.240 -1.160 4.614 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.553 -1.852 7.195 1.00 0.00 C ATOM 755 CE2 PHE A 54 7.120 -0.915 5.651 1.00 0.00 C ATOM 756 CZ PHE A 54 6.775 -1.260 6.944 1.00 0.00 C ATOM 0 H PHE A 54 3.842 -4.755 4.733 1.00 0.00 H new ATOM 0 HA PHE A 54 3.798 -3.425 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.233 -1.290 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.036 -1.862 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.722 -2.555 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.514 -0.887 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.282 -2.126 8.204 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.076 -0.454 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.460 -1.067 7.757 1.00 0.00 H new ATOM 766 N LYS A 55 6.195 -3.979 1.921 1.00 0.00 N ATOM 767 CA LYS A 55 7.586 -4.384 1.759 1.00 0.00 C ATOM 768 C LYS A 55 8.295 -3.499 0.739 1.00 0.00 C ATOM 769 O LYS A 55 8.156 -3.692 -0.470 1.00 0.00 O ATOM 770 CB LYS A 55 7.665 -5.849 1.322 1.00 0.00 C ATOM 771 CG LYS A 55 9.037 -6.469 1.520 1.00 0.00 C ATOM 772 CD LYS A 55 9.485 -6.382 2.969 1.00 0.00 C ATOM 773 CE LYS A 55 10.737 -7.209 3.217 1.00 0.00 C ATOM 774 NZ LYS A 55 10.470 -8.669 3.093 1.00 0.00 N ATOM 0 H LYS A 55 5.704 -3.800 1.045 1.00 0.00 H new ATOM 0 HA LYS A 55 8.086 -4.271 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.930 -6.427 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.391 -5.921 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.014 -7.513 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.762 -5.962 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.678 -5.341 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.683 -6.730 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.510 -6.919 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.123 -6.994 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.243 -9.202 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.573 -8.899 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.408 -8.926 2.087 1.00 0.00 H new ATOM 788 N THR A 56 9.057 -2.528 1.233 1.00 0.00 N ATOM 789 CA THR A 56 9.789 -1.614 0.365 1.00 0.00 C ATOM 790 C THR A 56 11.283 -1.914 0.385 1.00 0.00 C ATOM 791 O THR A 56 11.844 -2.255 1.426 1.00 0.00 O ATOM 792 CB THR A 56 9.565 -0.147 0.778 1.00 0.00 C ATOM 793 OG1 THR A 56 8.208 0.043 1.193 1.00 0.00 O ATOM 794 CG2 THR A 56 9.886 0.794 -0.373 1.00 0.00 C ATOM 0 H THR A 56 9.183 -2.354 2.230 1.00 0.00 H new ATOM 0 HA THR A 56 9.406 -1.762 -0.645 1.00 0.00 H new ATOM 0 HB THR A 56 10.233 0.080 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.983 0.996 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.720 1.824 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.928 0.667 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.240 0.566 -1.221 1.00 0.00 H new ATOM 802 N PHE A 57 11.923 -1.784 -0.773 1.00 0.00 N ATOM 803 CA PHE A 57 13.354 -2.041 -0.888 1.00 0.00 C ATOM 804 C PHE A 57 14.062 -0.880 -1.579 1.00 0.00 C ATOM 805 O PHE A 57 13.922 -0.683 -2.785 1.00 0.00 O ATOM 806 CB PHE A 57 13.600 -3.337 -1.663 1.00 0.00 C ATOM 807 CG PHE A 57 12.973 -4.545 -1.027 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.565 -5.154 0.068 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.791 -5.071 -1.524 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.990 -6.265 0.656 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.212 -6.181 -0.940 1.00 0.00 C ATOM 812 CZ PHE A 57 11.812 -6.780 0.150 1.00 0.00 C ATOM 0 H PHE A 57 11.474 -1.502 -1.644 1.00 0.00 H new ATOM 0 HA PHE A 57 13.761 -2.144 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.210 -3.225 -2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.674 -3.499 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.486 -4.756 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.317 -4.608 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.461 -6.730 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.290 -6.580 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.361 -7.649 0.606 1.00 0.00 H new ATOM 822 N GLY A 58 14.823 -0.112 -0.804 1.00 0.00 N ATOM 823 CA GLY A 58 15.541 1.021 -1.358 1.00 0.00 C ATOM 824 C GLY A 58 15.674 2.162 -0.370 1.00 0.00 C ATOM 825 O GLY A 58 15.985 1.946 0.802 1.00 0.00 O ATOM 0 H GLY A 58 14.955 -0.255 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.534 0.699 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.023 1.375 -2.249 1.00 0.00 H new ATOM 829 N CYS A 59 15.440 3.382 -0.842 1.00 0.00 N ATOM 830 CA CYS A 59 15.537 4.563 0.008 1.00 0.00 C ATOM 831 C CYS A 59 14.558 4.476 1.175 1.00 0.00 C ATOM 832 O CYS A 59 13.658 3.637 1.182 1.00 0.00 O ATOM 833 CB CYS A 59 15.264 5.828 -0.809 1.00 0.00 C ATOM 834 SG CYS A 59 13.495 6.206 -1.025 1.00 0.00 S ATOM 0 H CYS A 59 15.182 3.579 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 59 16.549 4.609 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.749 6.674 -0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.724 5.720 -1.791 1.00 0.00 H new ATOM 839 N GLY A 60 14.740 5.350 2.160 1.00 0.00 N ATOM 840 CA GLY A 60 13.866 5.356 3.318 1.00 0.00 C ATOM 841 C GLY A 60 12.511 5.967 3.019 1.00 0.00 C ATOM 842 O GLY A 60 11.477 5.333 3.228 1.00 0.00 O ATOM 0 H GLY A 60 15.478 6.054 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.730 4.334 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.342 5.912 4.126 1.00 0.00 H new ATOM 846 N SER A 61 12.516 7.202 2.529 1.00 0.00 N ATOM 847 CA SER A 61 11.278 7.902 2.206 1.00 0.00 C ATOM 848 C SER A 61 10.246 6.939 1.627 1.00 0.00 C ATOM 849 O SER A 61 9.042 7.131 1.790 1.00 0.00 O ATOM 850 CB SER A 61 11.551 9.033 1.212 1.00 0.00 C ATOM 851 OG SER A 61 12.627 9.845 1.648 1.00 0.00 O ATOM 0 H SER A 61 13.364 7.739 2.347 1.00 0.00 H new ATOM 0 HA SER A 61 10.878 8.326 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.781 8.613 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.655 9.643 1.095 1.00 0.00 H new ATOM 0 HG SER A 61 12.361 10.788 1.611 1.00 0.00 H new ATOM 857 N ALA A 62 10.728 5.902 0.948 1.00 0.00 N ATOM 858 CA ALA A 62 9.849 4.908 0.346 1.00 0.00 C ATOM 859 C ALA A 62 9.303 3.949 1.398 1.00 0.00 C ATOM 860 O ALA A 62 8.112 3.637 1.409 1.00 0.00 O ATOM 861 CB ALA A 62 10.587 4.139 -0.740 1.00 0.00 C ATOM 0 H ALA A 62 11.723 5.729 0.802 1.00 0.00 H new ATOM 0 HA ALA A 62 9.005 5.431 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.918 3.400 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.922 4.831 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.450 3.634 -0.306 1.00 0.00 H new ATOM 867 N ILE A 63 10.181 3.483 2.280 1.00 0.00 N ATOM 868 CA ILE A 63 9.786 2.560 3.336 1.00 0.00 C ATOM 869 C ILE A 63 8.778 3.204 4.281 1.00 0.00 C ATOM 870 O ILE A 63 7.867 2.542 4.779 1.00 0.00 O ATOM 871 CB ILE A 63 11.003 2.081 4.150 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.015 1.388 3.236 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.560 1.146 5.265 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.386 1.237 3.857 1.00 0.00 C ATOM 0 H ILE A 63 11.171 3.730 2.284 1.00 0.00 H new ATOM 0 HA ILE A 63 9.325 1.701 2.848 1.00 0.00 H new ATOM 0 HB ILE A 63 11.484 2.949 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.635 0.402 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.105 1.956 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.431 0.816 5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.873 1.671 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.057 0.280 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.051 0.738 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.786 2.222 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.310 0.643 4.768 1.00 0.00 H new ATOM 886 N ALA A 64 8.946 4.500 4.524 1.00 0.00 N ATOM 887 CA ALA A 64 8.049 5.235 5.406 1.00 0.00 C ATOM 888 C ALA A 64 6.682 5.431 4.759 1.00 0.00 C ATOM 889 O ALA A 64 5.669 4.951 5.268 1.00 0.00 O ATOM 890 CB ALA A 64 8.657 6.580 5.776 1.00 0.00 C ATOM 0 H ALA A 64 9.696 5.062 4.122 1.00 0.00 H new ATOM 0 HA ALA A 64 7.912 4.648 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.976 7.118 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.607 6.422 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.824 7.165 4.872 1.00 0.00 H new ATOM 896 N SER A 65 6.661 6.140 3.635 1.00 0.00 N ATOM 897 CA SER A 65 5.417 6.403 2.921 1.00 0.00 C ATOM 898 C SER A 65 4.515 5.172 2.928 1.00 0.00 C ATOM 899 O SER A 65 3.293 5.285 3.029 1.00 0.00 O ATOM 900 CB SER A 65 5.711 6.824 1.480 1.00 0.00 C ATOM 901 OG SER A 65 4.578 7.434 0.886 1.00 0.00 O ATOM 0 H SER A 65 7.491 6.542 3.199 1.00 0.00 H new ATOM 0 HA SER A 65 4.899 7.215 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.551 7.518 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.007 5.952 0.896 1.00 0.00 H new ATOM 0 HG SER A 65 4.665 7.406 -0.090 1.00 0.00 H new ATOM 907 N SER A 66 5.127 3.997 2.821 1.00 0.00 N ATOM 908 CA SER A 66 4.380 2.744 2.812 1.00 0.00 C ATOM 909 C SER A 66 3.875 2.403 4.210 1.00 0.00 C ATOM 910 O SER A 66 2.672 2.268 4.432 1.00 0.00 O ATOM 911 CB SER A 66 5.257 1.608 2.283 1.00 0.00 C ATOM 912 OG SER A 66 6.365 1.378 3.136 1.00 0.00 O ATOM 0 H SER A 66 6.138 3.886 2.739 1.00 0.00 H new ATOM 0 HA SER A 66 3.520 2.866 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.665 0.697 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.610 1.853 1.281 1.00 0.00 H new ATOM 0 HG SER A 66 6.124 0.711 3.813 1.00 0.00 H new ATOM 918 N SER A 67 4.804 2.264 5.151 1.00 0.00 N ATOM 919 CA SER A 67 4.454 1.935 6.528 1.00 0.00 C ATOM 920 C SER A 67 3.212 2.701 6.971 1.00 0.00 C ATOM 921 O SER A 67 2.339 2.156 7.648 1.00 0.00 O ATOM 922 CB SER A 67 5.623 2.251 7.463 1.00 0.00 C ATOM 923 OG SER A 67 5.700 3.640 7.731 1.00 0.00 O ATOM 0 H SER A 67 5.804 2.374 4.985 1.00 0.00 H new ATOM 0 HA SER A 67 4.237 0.868 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.504 1.703 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.556 1.912 7.012 1.00 0.00 H new ATOM 0 HG SER A 67 5.693 4.137 6.886 1.00 0.00 H new ATOM 929 N LEU A 68 3.138 3.970 6.585 1.00 0.00 N ATOM 930 CA LEU A 68 2.003 4.814 6.942 1.00 0.00 C ATOM 931 C LEU A 68 0.798 4.507 6.059 1.00 0.00 C ATOM 932 O LEU A 68 -0.345 4.551 6.515 1.00 0.00 O ATOM 933 CB LEU A 68 2.380 6.291 6.813 1.00 0.00 C ATOM 934 CG LEU A 68 1.215 7.280 6.769 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.632 8.623 7.348 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.710 7.446 5.343 1.00 0.00 C ATOM 0 H LEU A 68 3.851 4.437 6.025 1.00 0.00 H new ATOM 0 HA LEU A 68 1.736 4.602 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.023 6.556 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.971 6.416 5.906 1.00 0.00 H new ATOM 0 HG LEU A 68 0.403 6.882 7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.790 9.314 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.945 8.491 8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.461 9.028 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.119 8.153 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.516 7.821 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.371 6.483 4.963 1.00 0.00 H new ATOM 948 N ALA A 69 1.061 4.193 4.795 1.00 0.00 N ATOM 949 CA ALA A 69 -0.002 3.874 3.850 1.00 0.00 C ATOM 950 C ALA A 69 -0.667 2.547 4.199 1.00 0.00 C ATOM 951 O ALA A 69 -1.870 2.492 4.458 1.00 0.00 O ATOM 952 CB ALA A 69 0.547 3.834 2.432 1.00 0.00 C ATOM 0 H ALA A 69 2.001 4.153 4.402 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.758 4.657 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.258 3.595 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.969 4.806 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.324 3.072 2.364 1.00 0.00 H new ATOM 958 N THR A 70 0.123 1.477 4.205 1.00 0.00 N ATOM 959 CA THR A 70 -0.390 0.150 4.520 1.00 0.00 C ATOM 960 C THR A 70 -1.135 0.150 5.850 1.00 0.00 C ATOM 961 O THR A 70 -1.955 -0.729 6.112 1.00 0.00 O ATOM 962 CB THR A 70 0.745 -0.890 4.581 1.00 0.00 C ATOM 963 OG1 THR A 70 0.237 -2.189 4.256 1.00 0.00 O ATOM 964 CG2 THR A 70 1.378 -0.920 5.964 1.00 0.00 C ATOM 0 H THR A 70 1.121 1.504 3.995 1.00 0.00 H new ATOM 0 HA THR A 70 -1.080 -0.121 3.720 1.00 0.00 H new ATOM 0 HB THR A 70 1.507 -0.606 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.522 -2.832 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.177 -1.662 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.789 0.062 6.197 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.622 -1.182 6.704 1.00 0.00 H new ATOM 972 N GLU A 71 -0.846 1.143 6.685 1.00 0.00 N ATOM 973 CA GLU A 71 -1.491 1.257 7.988 1.00 0.00 C ATOM 974 C GLU A 71 -2.840 1.960 7.868 1.00 0.00 C ATOM 975 O GLU A 71 -3.720 1.785 8.712 1.00 0.00 O ATOM 976 CB GLU A 71 -0.591 2.019 8.962 1.00 0.00 C ATOM 977 CG GLU A 71 -1.321 2.530 10.193 1.00 0.00 C ATOM 978 CD GLU A 71 -0.407 2.681 11.393 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.293 1.704 11.732 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.391 3.776 11.994 1.00 0.00 O ATOM 0 H GLU A 71 -0.170 1.880 6.483 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.659 0.250 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.223 1.366 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.139 2.863 8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.778 3.493 9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.130 1.844 10.442 1.00 0.00 H new ATOM 987 N TRP A 72 -2.995 2.755 6.816 1.00 0.00 N ATOM 988 CA TRP A 72 -4.236 3.485 6.585 1.00 0.00 C ATOM 989 C TRP A 72 -5.295 2.578 5.969 1.00 0.00 C ATOM 990 O TRP A 72 -6.489 2.741 6.220 1.00 0.00 O ATOM 991 CB TRP A 72 -3.983 4.687 5.674 1.00 0.00 C ATOM 992 CG TRP A 72 -3.337 5.841 6.379 1.00 0.00 C ATOM 993 CD1 TRP A 72 -3.056 5.934 7.713 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.894 7.068 5.788 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.465 7.144 7.985 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.354 7.858 6.821 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.900 7.575 4.485 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.826 9.125 6.591 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.376 8.833 4.258 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.845 9.597 5.306 1.00 0.00 C ATOM 0 H TRP A 72 -2.277 2.911 6.109 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.604 3.839 7.548 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.349 4.377 4.843 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.930 5.016 5.247 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.267 5.169 8.446 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.158 7.460 8.905 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.307 6.994 3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.416 9.715 7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.376 9.235 3.255 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.443 10.577 5.096 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.850 1.621 5.160 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.760 0.687 4.509 1.00 0.00 C ATOM 1013 C VAL A 73 -6.434 -0.226 5.527 1.00 0.00 C ATOM 1014 O VAL A 73 -7.538 -0.721 5.300 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.025 -0.179 3.468 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.353 0.698 2.423 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.010 -1.084 4.149 1.00 0.00 C ATOM 0 H VAL A 73 -3.865 1.473 4.940 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.518 1.285 4.004 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.757 -0.809 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.839 0.069 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.106 1.299 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.632 1.355 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.500 -1.688 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.280 -0.475 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.522 -1.738 4.855 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.763 -0.443 6.653 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.296 -1.295 7.710 1.00 0.00 C ATOM 1029 C LYS A 74 -7.485 -0.630 8.396 1.00 0.00 C ATOM 1030 O LYS A 74 -7.386 0.498 8.877 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.208 -1.605 8.741 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.948 -2.200 8.135 1.00 0.00 C ATOM 1033 CD LYS A 74 -3.024 -2.757 9.205 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.692 -3.197 8.616 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.709 -3.556 9.676 1.00 0.00 N ATOM 0 H LYS A 74 -4.848 -0.040 6.857 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.634 -2.226 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.949 -0.688 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.607 -2.298 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.218 -2.993 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.423 -1.436 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.853 -1.999 9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.503 -3.604 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.850 -4.054 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.285 -2.396 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.185 -3.850 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.539 -2.731 10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.086 -4.338 10.249 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.610 -1.338 8.438 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.802 -0.801 9.068 1.00 0.00 C ATOM 1051 C GLY A 75 -10.761 -0.187 8.067 1.00 0.00 C ATOM 1052 O GLY A 75 -11.964 -0.107 8.317 1.00 0.00 O ATOM 0 H GLY A 75 -8.717 -2.274 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.311 -1.596 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.514 -0.047 9.800 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.228 0.248 6.930 1.00 0.00 N ATOM 1057 CA LYS A 76 -11.044 0.858 5.887 1.00 0.00 C ATOM 1058 C LYS A 76 -11.344 -0.143 4.776 1.00 0.00 C ATOM 1059 O LYS A 76 -10.678 -1.171 4.655 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.334 2.083 5.306 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.693 2.971 6.359 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.879 4.087 5.727 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.736 5.312 5.446 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.150 6.164 4.375 1.00 0.00 N ATOM 0 H LYS A 76 -9.234 0.189 6.708 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.987 1.171 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.566 1.750 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.052 2.671 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.467 3.400 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.050 2.369 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.058 4.360 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.434 3.732 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.737 4.996 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.843 5.898 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.763 6.988 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.205 6.487 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.072 5.613 3.497 1.00 0.00 H new ATOM 1078 N THR A 77 -12.351 0.165 3.964 1.00 0.00 N ATOM 1079 CA THR A 77 -12.739 -0.707 2.862 1.00 0.00 C ATOM 1080 C THR A 77 -12.053 -0.292 1.565 1.00 0.00 C ATOM 1081 O THR A 77 -11.671 0.866 1.396 1.00 0.00 O ATOM 1082 CB THR A 77 -14.264 -0.698 2.649 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.678 0.568 2.123 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.994 -0.974 3.955 1.00 0.00 C ATOM 0 H THR A 77 -12.913 1.012 4.049 1.00 0.00 H new ATOM 0 HA THR A 77 -12.423 -1.715 3.130 1.00 0.00 H new ATOM 0 HB THR A 77 -14.514 -1.485 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.649 0.565 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 77 -16.070 -0.963 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.699 -1.951 4.337 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.737 -0.206 4.685 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.901 -1.245 0.651 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.263 -0.978 -0.633 1.00 0.00 C ATOM 1094 C VAL A 78 -11.707 0.367 -1.198 1.00 0.00 C ATOM 1095 O VAL A 78 -10.885 1.160 -1.654 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.581 -2.083 -1.658 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.126 -3.439 -1.140 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.067 -2.098 -1.982 1.00 0.00 C ATOM 0 H VAL A 78 -12.211 -2.209 0.776 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.188 -0.957 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.035 -1.870 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.359 -4.207 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.050 -3.419 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.642 -3.664 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.273 -2.885 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.636 -2.286 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.358 -1.134 -2.399 1.00 0.00 H new ATOM 1108 N GLU A 79 -13.012 0.616 -1.162 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.565 1.865 -1.671 1.00 0.00 C ATOM 1110 C GLU A 79 -12.893 3.066 -1.012 1.00 0.00 C ATOM 1111 O GLU A 79 -12.533 4.034 -1.681 1.00 0.00 O ATOM 1112 CB GLU A 79 -15.075 1.916 -1.431 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.834 0.773 -2.083 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.237 0.613 -1.529 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.904 1.642 -1.295 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.667 -0.543 -1.329 1.00 0.00 O ATOM 0 H GLU A 79 -13.706 -0.030 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.374 1.907 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.264 1.901 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.463 2.861 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.889 0.945 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.282 -0.155 -1.937 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.729 2.995 0.306 1.00 0.00 N ATOM 1124 CA GLU A 80 -12.102 4.077 1.056 1.00 0.00 C ATOM 1125 C GLU A 80 -10.653 4.273 0.619 1.00 0.00 C ATOM 1126 O GLU A 80 -10.234 5.387 0.306 1.00 0.00 O ATOM 1127 CB GLU A 80 -12.158 3.786 2.557 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.568 3.574 3.084 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.360 4.865 3.163 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.795 5.882 3.616 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.546 4.857 2.771 1.00 0.00 O ATOM 0 H GLU A 80 -13.021 2.201 0.875 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.653 4.995 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.563 2.898 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.698 4.614 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.092 2.870 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.518 3.121 4.074 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.893 3.183 0.602 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.492 3.235 0.203 1.00 0.00 C ATOM 1140 C ALA A 81 -8.330 3.936 -1.141 1.00 0.00 C ATOM 1141 O ALA A 81 -7.440 4.770 -1.315 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.909 1.831 0.141 1.00 0.00 C ATOM 0 H ALA A 81 -10.224 2.253 0.860 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.948 3.810 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.862 1.885 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.982 1.363 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.464 1.238 -0.586 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.194 3.593 -2.090 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.146 4.191 -3.421 1.00 0.00 C ATOM 1150 C LEU A 82 -9.137 5.713 -3.334 1.00 0.00 C ATOM 1151 O LEU A 82 -8.554 6.391 -4.181 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.340 3.722 -4.254 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.112 2.478 -5.113 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -9.018 2.729 -6.138 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.761 1.283 -4.238 1.00 0.00 C ATOM 0 H LEU A 82 -9.936 2.905 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.224 3.869 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.173 3.525 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.645 4.539 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.036 2.255 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.870 1.832 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.309 3.556 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.089 2.979 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.602 0.406 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.851 1.497 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.578 1.088 -3.543 1.00 0.00 H new ATOM 1167 N THR A 83 -9.786 6.246 -2.303 1.00 0.00 N ATOM 1168 CA THR A 83 -9.853 7.688 -2.105 1.00 0.00 C ATOM 1169 C THR A 83 -8.536 8.230 -1.559 1.00 0.00 C ATOM 1170 O THR A 83 -8.225 9.410 -1.721 1.00 0.00 O ATOM 1171 CB THR A 83 -10.991 8.071 -1.140 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.529 8.003 0.214 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.186 7.148 -1.320 1.00 0.00 C ATOM 0 H THR A 83 -10.273 5.700 -1.592 1.00 0.00 H new ATOM 0 HA THR A 83 -10.049 8.132 -3.081 1.00 0.00 H new ATOM 0 HB THR A 83 -11.302 9.091 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.161 7.112 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.977 7.438 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.553 7.224 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.885 6.120 -1.118 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.766 7.360 -0.914 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.482 7.751 -0.347 1.00 0.00 C ATOM 1183 C ILE A 84 -5.542 8.278 -1.426 1.00 0.00 C ATOM 1184 O ILE A 84 -5.219 7.573 -2.382 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.804 6.574 0.378 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.644 6.134 1.579 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.401 6.960 0.820 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -6.124 4.886 2.256 1.00 0.00 C ATOM 0 H ILE A 84 -8.009 6.380 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.684 8.543 0.374 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.727 5.736 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.676 6.945 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.669 5.959 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.936 6.117 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.806 7.229 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.455 7.811 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.768 4.633 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.118 4.061 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.110 5.062 2.615 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.104 9.522 -1.265 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.198 10.145 -2.223 1.00 0.00 C ATOM 1202 C LYS A 85 -2.771 10.171 -1.684 1.00 0.00 C ATOM 1203 O LYS A 85 -2.515 9.746 -0.558 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.660 11.568 -2.543 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.140 11.668 -2.869 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.968 11.938 -1.625 1.00 0.00 C ATOM 1207 CE LYS A 85 -8.412 12.264 -1.976 1.00 0.00 C ATOM 1208 NZ LYS A 85 -9.207 12.628 -0.771 1.00 0.00 N ATOM 0 H LYS A 85 -5.362 10.119 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.212 9.552 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.440 12.213 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.084 11.947 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.301 12.466 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.474 10.741 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.939 11.066 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.531 12.768 -1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.435 13.088 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.869 11.405 -2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.185 12.843 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.206 11.832 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.786 13.463 -0.317 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.846 10.676 -2.495 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.445 10.759 -2.098 1.00 0.00 C ATOM 1224 C ASN A 86 -0.150 12.093 -1.419 1.00 0.00 C ATOM 1225 O ASN A 86 0.556 12.147 -0.411 1.00 0.00 O ATOM 1226 CB ASN A 86 0.463 10.583 -3.317 1.00 0.00 C ATOM 1227 CG ASN A 86 0.769 11.899 -4.005 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.683 12.622 -3.608 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.003 12.217 -5.042 1.00 0.00 N ATOM 0 H ASN A 86 -2.041 11.033 -3.430 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.247 9.958 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.396 10.113 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.014 9.907 -4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.161 13.091 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.744 11.588 -5.337 1.00 0.00 H new ATOM 1236 N THR A 87 -0.697 13.168 -1.977 1.00 0.00 N ATOM 1237 CA THR A 87 -0.493 14.502 -1.426 1.00 0.00 C ATOM 1238 C THR A 87 -0.523 14.478 0.098 1.00 0.00 C ATOM 1239 O THR A 87 0.320 15.090 0.755 1.00 0.00 O ATOM 1240 CB THR A 87 -1.561 15.489 -1.934 1.00 0.00 C ATOM 1241 OG1 THR A 87 -1.565 16.668 -1.121 1.00 0.00 O ATOM 1242 CG2 THR A 87 -2.941 14.850 -1.916 1.00 0.00 C ATOM 0 H THR A 87 -1.285 13.141 -2.810 1.00 0.00 H new ATOM 0 HA THR A 87 0.489 14.836 -1.762 1.00 0.00 H new ATOM 0 HB THR A 87 -1.316 15.758 -2.962 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.246 17.291 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.678 15.566 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.943 13.970 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.192 14.555 -0.897 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.498 13.769 0.655 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.637 13.664 2.103 1.00 0.00 C ATOM 1252 C ASP A 88 -0.370 13.090 2.730 1.00 0.00 C ATOM 1253 O ASP A 88 0.232 13.706 3.609 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.839 12.788 2.459 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.351 13.050 3.862 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -2.527 13.071 4.800 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.576 13.236 4.021 1.00 0.00 O ATOM 0 H ASP A 88 -2.204 13.258 0.126 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.797 14.666 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.641 12.968 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.560 11.738 2.367 1.00 0.00 H new ATOM 1262 N ILE A 89 0.027 11.908 2.272 1.00 0.00 N ATOM 1263 CA ILE A 89 1.222 11.252 2.788 1.00 0.00 C ATOM 1264 C ILE A 89 2.420 12.194 2.764 1.00 0.00 C ATOM 1265 O ILE A 89 2.970 12.542 3.808 1.00 0.00 O ATOM 1266 CB ILE A 89 1.562 9.985 1.981 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.375 9.020 1.979 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.800 9.310 2.552 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.480 7.934 0.932 1.00 0.00 C ATOM 0 H ILE A 89 -0.461 11.385 1.545 1.00 0.00 H new ATOM 0 HA ILE A 89 1.007 10.969 3.818 1.00 0.00 H new ATOM 0 HB ILE A 89 1.772 10.274 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.291 8.558 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.542 9.585 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.028 8.416 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.644 9.998 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.617 9.031 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.396 7.288 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.533 8.387 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.379 7.344 1.109 1.00 0.00 H new ATOM 1281 N ALA A 90 2.819 12.604 1.564 1.00 0.00 N ATOM 1282 CA ALA A 90 3.950 13.509 1.404 1.00 0.00 C ATOM 1283 C ALA A 90 3.943 14.593 2.476 1.00 0.00 C ATOM 1284 O ALA A 90 4.984 14.932 3.039 1.00 0.00 O ATOM 1285 CB ALA A 90 3.932 14.136 0.017 1.00 0.00 C ATOM 0 H ALA A 90 2.376 12.324 0.689 1.00 0.00 H new ATOM 0 HA ALA A 90 4.866 12.929 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.782 14.810 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.994 13.352 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.007 14.696 -0.117 1.00 0.00 H new ATOM 1291 N LYS A 91 2.762 15.135 2.754 1.00 0.00 N ATOM 1292 CA LYS A 91 2.617 16.181 3.760 1.00 0.00 C ATOM 1293 C LYS A 91 2.679 15.596 5.167 1.00 0.00 C ATOM 1294 O LYS A 91 3.112 16.262 6.107 1.00 0.00 O ATOM 1295 CB LYS A 91 1.295 16.926 3.564 1.00 0.00 C ATOM 1296 CG LYS A 91 1.133 18.129 4.477 1.00 0.00 C ATOM 1297 CD LYS A 91 -0.130 18.909 4.155 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.211 20.197 4.959 1.00 0.00 C ATOM 1299 NZ LYS A 91 -1.351 21.052 4.525 1.00 0.00 N ATOM 0 H LYS A 91 1.891 14.867 2.296 1.00 0.00 H new ATOM 0 HA LYS A 91 3.443 16.882 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.223 17.255 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.470 16.236 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.102 17.797 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.000 18.782 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.154 19.142 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.003 18.292 4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.318 19.958 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.721 20.752 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.371 21.920 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.236 21.301 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.243 20.532 4.652 1.00 0.00 H new ATOM 1313 N GLU A 92 2.246 14.346 5.303 1.00 0.00 N ATOM 1314 CA GLU A 92 2.254 13.672 6.596 1.00 0.00 C ATOM 1315 C GLU A 92 3.683 13.422 7.070 1.00 0.00 C ATOM 1316 O GLU A 92 4.037 13.743 8.206 1.00 0.00 O ATOM 1317 CB GLU A 92 1.495 12.346 6.509 1.00 0.00 C ATOM 1318 CG GLU A 92 -0.003 12.489 6.719 1.00 0.00 C ATOM 1319 CD GLU A 92 -0.347 13.474 7.819 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.209 13.112 9.006 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -0.755 14.609 7.492 1.00 0.00 O ATOM 0 H GLU A 92 1.886 13.780 4.534 1.00 0.00 H new ATOM 0 HA GLU A 92 1.758 14.320 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.675 11.897 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.894 11.659 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.467 12.814 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.426 11.515 6.964 1.00 0.00 H new ATOM 1328 N LEU A 93 4.499 12.847 6.194 1.00 0.00 N ATOM 1329 CA LEU A 93 5.890 12.553 6.522 1.00 0.00 C ATOM 1330 C LEU A 93 6.763 13.791 6.350 1.00 0.00 C ATOM 1331 O LEU A 93 7.884 13.848 6.857 1.00 0.00 O ATOM 1332 CB LEU A 93 6.413 11.418 5.640 1.00 0.00 C ATOM 1333 CG LEU A 93 5.736 10.060 5.822 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.231 10.185 5.641 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.309 9.043 4.845 1.00 0.00 C ATOM 0 H LEU A 93 4.222 12.575 5.251 1.00 0.00 H new ATOM 0 HA LEU A 93 5.934 12.243 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.308 11.717 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.479 11.298 5.831 1.00 0.00 H new ATOM 0 HG LEU A 93 5.932 9.711 6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.766 9.208 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.832 10.880 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.015 10.556 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.815 8.082 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.144 9.386 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.379 8.931 5.022 1.00 0.00 H new ATOM 1347 N CYS A 94 6.243 14.781 5.633 1.00 0.00 N ATOM 1348 CA CYS A 94 6.975 16.020 5.394 1.00 0.00 C ATOM 1349 C CYS A 94 8.249 15.754 4.599 1.00 0.00 C ATOM 1350 O CYS A 94 9.340 16.162 4.999 1.00 0.00 O ATOM 1351 CB CYS A 94 7.320 16.696 6.722 1.00 0.00 C ATOM 1352 SG CYS A 94 5.881 17.267 7.656 1.00 0.00 S ATOM 0 H CYS A 94 5.317 14.750 5.207 1.00 0.00 H new ATOM 0 HA CYS A 94 6.337 16.684 4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.885 15.996 7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.973 17.546 6.526 1.00 0.00 H new ATOM 0 HG CYS A 94 4.794 16.881 7.057 1.00 0.00 H new ATOM 1358 N LEU A 95 8.103 15.067 3.471 1.00 0.00 N ATOM 1359 CA LEU A 95 9.242 14.744 2.619 1.00 0.00 C ATOM 1360 C LEU A 95 9.496 15.855 1.605 1.00 0.00 C ATOM 1361 O LEU A 95 8.588 16.587 1.210 1.00 0.00 O ATOM 1362 CB LEU A 95 9.002 13.420 1.892 1.00 0.00 C ATOM 1363 CG LEU A 95 7.787 13.374 0.964 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.177 13.788 -0.446 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.170 11.984 0.963 1.00 0.00 C ATOM 0 H LEU A 95 7.207 14.723 3.125 1.00 0.00 H new ATOM 0 HA LEU A 95 10.123 14.648 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.890 13.184 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.894 12.633 2.638 1.00 0.00 H new ATOM 0 HG LEU A 95 7.043 14.079 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.300 13.749 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.572 14.804 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.939 13.108 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.307 11.970 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.907 11.259 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.853 11.726 1.974 1.00 0.00 H new ATOM 1377 N PRO A 96 10.758 15.985 1.171 1.00 0.00 N ATOM 1378 CA PRO A 96 11.160 17.002 0.196 1.00 0.00 C ATOM 1379 C PRO A 96 10.607 16.720 -1.197 1.00 0.00 C ATOM 1380 O PRO A 96 10.061 15.651 -1.469 1.00 0.00 O ATOM 1381 CB PRO A 96 12.688 16.908 0.193 1.00 0.00 C ATOM 1382 CG PRO A 96 12.982 15.515 0.633 1.00 0.00 C ATOM 1383 CD PRO A 96 11.891 15.147 1.600 1.00 0.00 C ATOM 0 HA PRO A 96 10.781 17.990 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.095 17.104 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.131 17.639 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.997 14.832 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.961 15.454 1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.648 14.086 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.179 15.357 2.630 1.00 0.00 H new ATOM 1391 N PRO A 97 10.751 17.700 -2.102 1.00 0.00 N ATOM 1392 CA PRO A 97 10.273 17.579 -3.482 1.00 0.00 C ATOM 1393 C PRO A 97 11.088 16.578 -4.293 1.00 0.00 C ATOM 1394 O PRO A 97 10.684 16.169 -5.381 1.00 0.00 O ATOM 1395 CB PRO A 97 10.451 18.992 -4.044 1.00 0.00 C ATOM 1396 CG PRO A 97 11.538 19.593 -3.221 1.00 0.00 C ATOM 1397 CD PRO A 97 11.392 19.001 -1.847 1.00 0.00 C ATOM 0 HA PRO A 97 9.247 17.213 -3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.721 18.967 -5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.529 19.569 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.517 19.366 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.449 20.679 -3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.358 18.884 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.780 19.631 -1.201 1.00 0.00 H new ATOM 1405 N VAL A 98 12.239 16.185 -3.755 1.00 0.00 N ATOM 1406 CA VAL A 98 13.111 15.229 -4.428 1.00 0.00 C ATOM 1407 C VAL A 98 12.686 13.795 -4.132 1.00 0.00 C ATOM 1408 O VAL A 98 12.883 12.896 -4.949 1.00 0.00 O ATOM 1409 CB VAL A 98 14.580 15.416 -4.006 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.721 15.297 -2.496 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.470 14.406 -4.714 1.00 0.00 C ATOM 0 H VAL A 98 12.589 16.514 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 98 13.022 15.417 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 98 14.900 16.416 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.766 15.432 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.114 16.063 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.384 14.311 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.505 14.553 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.153 13.396 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.391 14.544 -5.792 1.00 0.00 H new ATOM 1421 N LYS A 99 12.103 13.588 -2.956 1.00 0.00 N ATOM 1422 CA LYS A 99 11.648 12.263 -2.550 1.00 0.00 C ATOM 1423 C LYS A 99 10.165 12.080 -2.857 1.00 0.00 C ATOM 1424 O LYS A 99 9.509 11.199 -2.297 1.00 0.00 O ATOM 1425 CB LYS A 99 11.901 12.050 -1.056 1.00 0.00 C ATOM 1426 CG LYS A 99 13.363 12.178 -0.663 1.00 0.00 C ATOM 1427 CD LYS A 99 14.174 10.984 -1.136 1.00 0.00 C ATOM 1428 CE LYS A 99 14.807 11.243 -2.494 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.066 10.469 -2.676 1.00 0.00 N ATOM 0 H LYS A 99 11.934 14.321 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 99 12.212 11.522 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.316 12.775 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.542 11.060 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.777 13.092 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.443 12.267 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.953 10.760 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.531 10.106 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.101 10.977 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.017 12.307 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.466 10.673 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.750 10.741 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.862 9.452 -2.601 1.00 0.00 H new ATOM 1443 N LEU A 100 9.642 12.914 -3.748 1.00 0.00 N ATOM 1444 CA LEU A 100 8.236 12.843 -4.131 1.00 0.00 C ATOM 1445 C LEU A 100 7.889 11.460 -4.674 1.00 0.00 C ATOM 1446 O LEU A 100 6.864 10.880 -4.315 1.00 0.00 O ATOM 1447 CB LEU A 100 7.917 13.910 -5.179 1.00 0.00 C ATOM 1448 CG LEU A 100 7.470 15.268 -4.639 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.421 16.297 -5.758 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.113 15.151 -3.960 1.00 0.00 C ATOM 0 H LEU A 100 10.170 13.648 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 100 7.633 13.026 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.803 14.061 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.134 13.526 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 100 8.197 15.601 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.101 17.258 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.412 16.401 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.715 15.971 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.810 16.127 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.375 14.796 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.180 14.446 -3.132 1.00 0.00 H new ATOM 1462 N HIS A 101 8.751 10.936 -5.539 1.00 0.00 N ATOM 1463 CA HIS A 101 8.537 9.620 -6.130 1.00 0.00 C ATOM 1464 C HIS A 101 7.937 8.658 -5.109 1.00 0.00 C ATOM 1465 O HIS A 101 7.015 7.903 -5.420 1.00 0.00 O ATOM 1466 CB HIS A 101 9.854 9.058 -6.666 1.00 0.00 C ATOM 1467 CG HIS A 101 10.827 8.683 -5.591 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.388 9.602 -4.730 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.336 7.479 -5.239 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.202 8.980 -3.896 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.188 7.691 -4.183 1.00 0.00 N ATOM 0 H HIS A 101 9.604 11.403 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 101 7.835 9.729 -6.957 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.643 8.180 -7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.315 9.797 -7.320 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.203 10.605 -4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 101 11.114 6.529 -5.702 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.781 9.446 -3.112 1.00 0.00 H new ATOM 1479 N CYS A 102 8.468 8.689 -3.892 1.00 0.00 N ATOM 1480 CA CYS A 102 7.986 7.818 -2.825 1.00 0.00 C ATOM 1481 C CYS A 102 6.518 8.097 -2.517 1.00 0.00 C ATOM 1482 O CYS A 102 5.682 7.195 -2.562 1.00 0.00 O ATOM 1483 CB CYS A 102 8.829 8.007 -1.564 1.00 0.00 C ATOM 1484 SG CYS A 102 10.557 7.506 -1.749 1.00 0.00 S ATOM 0 H CYS A 102 9.232 9.307 -3.619 1.00 0.00 H new ATOM 0 HA CYS A 102 8.078 6.786 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.796 9.056 -1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.381 7.435 -0.751 1.00 0.00 H new ATOM 0 HG CYS A 102 10.791 7.206 -2.992 1.00 0.00 H new ATOM 1490 N SER A 103 6.213 9.352 -2.201 1.00 0.00 N ATOM 1491 CA SER A 103 4.848 9.749 -1.879 1.00 0.00 C ATOM 1492 C SER A 103 3.847 9.028 -2.777 1.00 0.00 C ATOM 1493 O SER A 103 3.012 8.259 -2.301 1.00 0.00 O ATOM 1494 CB SER A 103 4.686 11.263 -2.028 1.00 0.00 C ATOM 1495 OG SER A 103 4.497 11.624 -3.386 1.00 0.00 O ATOM 0 H SER A 103 6.893 10.111 -2.161 1.00 0.00 H new ATOM 0 HA SER A 103 4.649 9.470 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.835 11.601 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.568 11.767 -1.634 1.00 0.00 H new ATOM 0 HG SER A 103 5.357 11.593 -3.855 1.00 0.00 H new ATOM 1501 N MET A 104 3.937 9.283 -4.078 1.00 0.00 N ATOM 1502 CA MET A 104 3.040 8.658 -5.043 1.00 0.00 C ATOM 1503 C MET A 104 3.190 7.140 -5.021 1.00 0.00 C ATOM 1504 O MET A 104 2.200 6.408 -5.048 1.00 0.00 O ATOM 1505 CB MET A 104 3.321 9.189 -6.450 1.00 0.00 C ATOM 1506 CG MET A 104 4.779 9.076 -6.863 1.00 0.00 C ATOM 1507 SD MET A 104 5.125 9.907 -8.426 1.00 0.00 S ATOM 1508 CE MET A 104 4.676 11.592 -8.020 1.00 0.00 C ATOM 0 H MET A 104 4.622 9.918 -4.488 1.00 0.00 H new ATOM 0 HA MET A 104 2.016 8.908 -4.765 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.706 8.642 -7.165 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.017 10.235 -6.502 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.408 9.503 -6.082 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.048 8.023 -6.948 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.375 12.280 -8.497 1.00 0.00 H new ATOM 0 HE2 MET A 104 3.666 11.795 -8.377 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.713 11.728 -6.939 1.00 0.00 H new ATOM 1518 N LEU A 105 4.433 6.674 -4.972 1.00 0.00 N ATOM 1519 CA LEU A 105 4.712 5.242 -4.946 1.00 0.00 C ATOM 1520 C LEU A 105 3.794 4.526 -3.961 1.00 0.00 C ATOM 1521 O LEU A 105 3.263 3.456 -4.257 1.00 0.00 O ATOM 1522 CB LEU A 105 6.174 4.994 -4.570 1.00 0.00 C ATOM 1523 CG LEU A 105 6.742 3.626 -4.948 1.00 0.00 C ATOM 1524 CD1 LEU A 105 7.264 3.641 -6.377 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.843 3.219 -3.980 1.00 0.00 C ATOM 0 H LEU A 105 5.263 7.266 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 105 4.527 4.843 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.785 5.762 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.278 5.123 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 105 5.940 2.891 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.664 2.659 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.450 3.886 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.052 4.388 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.235 2.243 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.646 3.956 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.438 3.166 -2.969 1.00 0.00 H new ATOM 1537 N ALA A 106 3.609 5.125 -2.789 1.00 0.00 N ATOM 1538 CA ALA A 106 2.752 4.546 -1.762 1.00 0.00 C ATOM 1539 C ALA A 106 1.288 4.578 -2.188 1.00 0.00 C ATOM 1540 O ALA A 106 0.513 3.685 -1.844 1.00 0.00 O ATOM 1541 CB ALA A 106 2.936 5.284 -0.444 1.00 0.00 C ATOM 0 H ALA A 106 4.041 6.011 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 106 3.042 3.504 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.290 4.841 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.976 5.206 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.674 6.334 -0.575 1.00 0.00 H new ATOM 1547 N GLU A 107 0.916 5.611 -2.937 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.456 5.757 -3.408 1.00 0.00 C ATOM 1549 C GLU A 107 -0.769 4.737 -4.499 1.00 0.00 C ATOM 1550 O GLU A 107 -1.757 4.007 -4.416 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.689 7.174 -3.937 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.027 7.352 -4.634 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.088 8.618 -5.466 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.196 8.810 -6.319 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.027 9.416 -5.265 1.00 0.00 O ATOM 0 H GLU A 107 1.545 6.358 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.123 5.577 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.625 7.878 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.110 7.429 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.216 6.491 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.821 7.374 -3.888 1.00 0.00 H new ATOM 1562 N ASP A 108 0.079 4.694 -5.521 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.106 3.764 -6.629 1.00 0.00 C ATOM 1564 C ASP A 108 -0.251 2.334 -6.119 1.00 0.00 C ATOM 1565 O ASP A 108 -1.095 1.577 -6.598 1.00 0.00 O ATOM 1566 CB ASP A 108 1.072 3.855 -7.601 1.00 0.00 C ATOM 1567 CG ASP A 108 0.678 3.505 -9.022 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.529 3.570 -9.337 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.576 3.166 -9.820 1.00 0.00 O ATOM 0 H ASP A 108 0.901 5.292 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.022 4.039 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.481 4.865 -7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.864 3.183 -7.271 1.00 0.00 H new ATOM 1574 N ALA A 109 0.577 1.971 -5.146 1.00 0.00 N ATOM 1575 CA ALA A 109 0.540 0.632 -4.571 1.00 0.00 C ATOM 1576 C ALA A 109 -0.857 0.291 -4.063 1.00 0.00 C ATOM 1577 O ALA A 109 -1.415 -0.751 -4.408 1.00 0.00 O ATOM 1578 CB ALA A 109 1.557 0.513 -3.444 1.00 0.00 C ATOM 0 H ALA A 109 1.282 2.585 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 109 0.797 -0.080 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.518 -0.492 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.557 0.705 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.325 1.241 -2.666 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.415 1.174 -3.243 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.747 0.966 -2.689 1.00 0.00 C ATOM 1586 C ILE A 110 -3.745 0.596 -3.781 1.00 0.00 C ATOM 1587 O ILE A 110 -4.298 -0.504 -3.786 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.252 2.220 -1.951 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.330 2.552 -0.776 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.680 2.011 -1.469 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.278 4.028 -0.447 1.00 0.00 C ATOM 0 H ILE A 110 -0.966 2.041 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.668 0.143 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.243 3.061 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.665 2.003 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.323 2.203 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.023 2.906 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.328 1.817 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.713 1.161 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.606 4.190 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.914 4.581 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.277 4.378 -0.186 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.971 1.523 -4.707 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.900 1.295 -5.808 1.00 0.00 C ATOM 1605 C LYS A 111 -4.671 -0.076 -6.438 1.00 0.00 C ATOM 1606 O LYS A 111 -5.576 -0.909 -6.478 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.744 2.387 -6.868 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.610 3.609 -6.613 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.880 4.645 -5.775 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.753 5.862 -5.508 1.00 0.00 C ATOM 1611 NZ LYS A 111 -4.940 7.082 -5.250 1.00 0.00 N ATOM 0 H LYS A 111 -3.523 2.439 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.913 1.327 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.699 2.695 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.994 1.972 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.905 4.052 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.525 3.307 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.576 4.199 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.970 4.954 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.406 6.035 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.396 5.666 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.519 7.928 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.616 7.081 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.116 7.090 -5.884 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.456 -0.302 -6.926 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.108 -1.572 -7.551 1.00 0.00 C ATOM 1627 C ALA A 112 -3.620 -2.748 -6.726 1.00 0.00 C ATOM 1628 O ALA A 112 -4.141 -3.721 -7.270 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.602 -1.673 -7.738 1.00 0.00 C ATOM 0 H ALA A 112 -2.696 0.378 -6.901 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.588 -1.611 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.357 -2.626 -8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.259 -0.858 -8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.110 -1.607 -6.768 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.469 -2.651 -5.409 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.917 -3.707 -4.509 1.00 0.00 C ATOM 1637 C ALA A 113 -5.413 -3.959 -4.662 1.00 0.00 C ATOM 1638 O ALA A 113 -5.828 -5.005 -5.163 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.585 -3.348 -3.068 1.00 0.00 C ATOM 0 H ALA A 113 -3.040 -1.852 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.391 -4.624 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.925 -4.145 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.507 -3.224 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.085 -2.417 -2.801 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.219 -2.997 -4.226 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.670 -3.116 -4.314 1.00 0.00 C ATOM 1647 C LEU A 114 -8.098 -3.533 -5.717 1.00 0.00 C ATOM 1648 O LEU A 114 -8.811 -4.521 -5.891 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.333 -1.790 -3.939 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.977 -1.226 -2.563 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.685 -2.352 -1.584 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.787 -0.283 -2.665 1.00 0.00 C ATOM 0 H LEU A 114 -5.892 -2.126 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.990 -3.887 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.068 -1.049 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.414 -1.921 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.832 -0.661 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.434 -1.932 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.565 -2.988 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.847 -2.945 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.548 0.109 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.927 -0.824 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.033 0.543 -3.333 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.656 -2.775 -6.715 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.990 -3.069 -8.103 1.00 0.00 C ATOM 1666 C ALA A 115 -7.780 -4.546 -8.418 1.00 0.00 C ATOM 1667 O ALA A 115 -8.736 -5.275 -8.685 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.159 -2.205 -9.040 1.00 0.00 C ATOM 0 H ALA A 115 -7.066 -1.953 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.045 -2.839 -8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.419 -2.435 -10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.362 -1.153 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.100 -2.407 -8.878 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.526 -4.981 -8.384 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.191 -6.372 -8.665 1.00 0.00 C ATOM 1676 C ASP A 116 -7.184 -7.316 -7.995 1.00 0.00 C ATOM 1677 O ASP A 116 -7.639 -8.287 -8.601 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.771 -6.684 -8.189 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.416 -8.149 -8.347 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -5.180 -9.002 -7.849 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -3.374 -8.442 -8.970 1.00 0.00 O ATOM 0 H ASP A 116 -5.724 -4.390 -8.165 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.245 -6.522 -9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.061 -6.078 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.672 -6.400 -7.141 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.516 -7.025 -6.742 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.452 -7.850 -5.988 1.00 0.00 C ATOM 1688 C TYR A 117 -9.828 -7.853 -6.648 1.00 0.00 C ATOM 1689 O TYR A 117 -10.468 -8.898 -6.772 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.565 -7.345 -4.549 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.922 -7.586 -3.927 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.230 -8.804 -3.334 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.896 -6.595 -3.933 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.469 -9.029 -2.765 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.137 -6.811 -3.365 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.419 -8.029 -2.783 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.654 -8.249 -2.217 1.00 0.00 O ATOM 0 H TYR A 117 -7.151 -6.224 -6.227 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.071 -8.871 -5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.804 -7.834 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.351 -6.276 -4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.488 -9.589 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.680 -5.640 -4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.692 -9.982 -2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.883 -6.030 -3.377 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.206 -7.445 -2.313 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.278 -6.676 -7.069 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.576 -6.540 -7.718 1.00 0.00 C ATOM 1709 C LYS A 118 -11.593 -7.265 -9.059 1.00 0.00 C ATOM 1710 O LYS A 118 -12.574 -7.922 -9.409 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.915 -5.061 -7.921 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.206 -4.321 -6.627 1.00 0.00 C ATOM 1713 CD LYS A 118 -12.211 -2.816 -6.835 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.764 -2.078 -5.581 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.087 -0.626 -5.648 1.00 0.00 N ATOM 0 H LYS A 118 -9.762 -5.802 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.327 -6.993 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.084 -4.573 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.781 -4.982 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.172 -4.638 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.457 -4.584 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.551 -2.560 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -13.213 -2.489 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -12.248 -2.518 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.690 -2.205 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.957 -0.198 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.456 -0.161 -6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.075 -0.504 -5.950 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.501 -7.142 -9.806 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.390 -7.788 -11.110 1.00 0.00 C ATOM 1731 C LEU A 119 -10.845 -9.242 -11.039 1.00 0.00 C ATOM 1732 O LEU A 119 -11.577 -9.718 -11.907 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.947 -7.718 -11.614 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.322 -6.323 -11.667 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.089 -6.325 -12.558 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.337 -5.302 -12.158 1.00 0.00 C ATOM 0 H LEU A 119 -9.681 -6.602 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.039 -7.257 -11.807 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.329 -8.347 -10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.911 -8.149 -12.615 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.016 -6.044 -10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.657 -5.324 -12.584 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.355 -7.027 -12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.370 -6.625 -13.567 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.875 -4.315 -12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.675 -5.576 -13.157 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.190 -5.282 -11.480 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.410 -9.942 -9.997 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.775 -11.341 -9.808 1.00 0.00 C ATOM 1750 C LYS A 120 -12.253 -11.475 -9.456 1.00 0.00 C ATOM 1751 O LYS A 120 -12.879 -12.495 -9.744 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.918 -11.969 -8.707 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.514 -11.397 -8.628 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.520 -12.427 -8.118 1.00 0.00 C ATOM 1755 CE LYS A 120 -7.037 -13.337 -9.237 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.154 -14.423 -8.728 1.00 0.00 N ATOM 0 H LYS A 120 -9.804 -9.563 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.594 -11.868 -10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.414 -11.827 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.854 -13.044 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.206 -11.050 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.510 -10.529 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.667 -11.919 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.985 -13.026 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.896 -13.776 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.497 -12.747 -9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.846 -15.021 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.321 -14.005 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.677 -15.002 -8.041 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.805 -10.439 -8.833 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.210 -10.442 -8.443 1.00 0.00 C ATOM 1772 C GLN A 121 -15.112 -10.249 -9.657 1.00 0.00 C ATOM 1773 O GLN A 121 -16.228 -10.765 -9.700 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.477 -9.342 -7.414 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.629 -9.464 -6.158 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.835 -10.784 -5.441 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.856 -10.995 -4.786 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.864 -11.682 -5.562 1.00 0.00 N ATOM 0 H GLN A 121 -12.301 -9.587 -8.587 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.436 -11.410 -7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.291 -8.372 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.530 -9.365 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.577 -9.359 -6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.870 -8.645 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.035 -11.465 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.948 -12.589 -5.102 1.00 0.00 H new ATOM 1787 N GLU A 122 -14.620 -9.503 -10.642 1.00 0.00 N ATOM 1788 CA GLU A 122 -15.384 -9.242 -11.856 1.00 0.00 C ATOM 1789 C GLU A 122 -15.117 -10.314 -12.908 1.00 0.00 C ATOM 1790 O GLU A 122 -15.970 -10.600 -13.748 1.00 0.00 O ATOM 1791 CB GLU A 122 -15.035 -7.862 -12.418 1.00 0.00 C ATOM 1792 CG GLU A 122 -13.679 -7.809 -13.103 1.00 0.00 C ATOM 1793 CD GLU A 122 -13.521 -6.590 -13.990 1.00 0.00 C ATOM 1794 OE1 GLU A 122 -14.230 -5.589 -13.756 1.00 0.00 O ATOM 1795 OE2 GLU A 122 -12.687 -6.637 -14.919 1.00 0.00 O ATOM 0 H GLU A 122 -13.697 -9.069 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 122 -16.443 -9.265 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -15.804 -7.564 -13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -15.052 -7.134 -11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -12.894 -7.808 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -13.543 -8.710 -13.702 1.00 0.00 H new ATOM 1802 N SER A 123 -13.927 -10.903 -12.855 1.00 0.00 N ATOM 1803 CA SER A 123 -13.544 -11.941 -13.805 1.00 0.00 C ATOM 1804 C SER A 123 -14.137 -13.289 -13.405 1.00 0.00 C ATOM 1805 O SER A 123 -13.496 -14.082 -12.715 1.00 0.00 O ATOM 1806 CB SER A 123 -12.021 -12.046 -13.892 1.00 0.00 C ATOM 1807 OG SER A 123 -11.482 -11.003 -14.685 1.00 0.00 O ATOM 0 H SER A 123 -13.211 -10.679 -12.164 1.00 0.00 H new ATOM 0 HA SER A 123 -13.938 -11.667 -14.784 1.00 0.00 H new ATOM 0 HB2 SER A 123 -11.593 -12.004 -12.891 1.00 0.00 H new ATOM 0 HB3 SER A 123 -11.744 -13.011 -14.317 1.00 0.00 H new ATOM 0 HG SER A 123 -11.298 -10.224 -14.120 1.00 0.00 H new ATOM 1813 N LYS A 124 -15.365 -13.542 -13.844 1.00 0.00 N ATOM 1814 CA LYS A 124 -16.046 -14.794 -13.534 1.00 0.00 C ATOM 1815 C LYS A 124 -15.807 -15.829 -14.629 1.00 0.00 C ATOM 1816 O LYS A 124 -16.638 -16.707 -14.858 1.00 0.00 O ATOM 1817 CB LYS A 124 -17.548 -14.553 -13.365 1.00 0.00 C ATOM 1818 CG LYS A 124 -18.204 -13.925 -14.582 1.00 0.00 C ATOM 1819 CD LYS A 124 -19.662 -13.587 -14.318 1.00 0.00 C ATOM 1820 CE LYS A 124 -20.397 -13.244 -15.605 1.00 0.00 C ATOM 1821 NZ LYS A 124 -21.847 -13.570 -15.518 1.00 0.00 N ATOM 0 H LYS A 124 -15.910 -12.896 -14.416 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.638 -15.179 -12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -18.038 -15.502 -13.148 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -17.709 -13.907 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -17.665 -13.020 -14.861 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -18.136 -14.610 -15.427 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -20.150 -14.432 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -19.722 -12.745 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -20.276 -12.183 -15.821 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -19.951 -13.791 -16.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -22.313 -13.322 -16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -21.964 -14.587 -15.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -22.279 -13.029 -14.742 1.00 0.00 H new ATOM 1835 N SER A 125 -14.665 -15.720 -15.301 1.00 0.00 N ATOM 1836 CA SER A 125 -14.318 -16.645 -16.373 1.00 0.00 C ATOM 1837 C SER A 125 -13.857 -17.985 -15.806 1.00 0.00 C ATOM 1838 O SER A 125 -12.681 -18.169 -15.498 1.00 0.00 O ATOM 1839 CB SER A 125 -13.220 -16.047 -17.256 1.00 0.00 C ATOM 1840 OG SER A 125 -13.754 -15.094 -18.158 1.00 0.00 O ATOM 0 H SER A 125 -13.965 -15.000 -15.122 1.00 0.00 H new ATOM 0 HA SER A 125 -15.209 -16.813 -16.978 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.462 -15.575 -16.630 1.00 0.00 H new ATOM 0 HB3 SER A 125 -12.724 -16.842 -17.813 1.00 0.00 H new ATOM 0 HG SER A 125 -13.033 -14.725 -18.709 1.00 0.00 H new ATOM 1846 N GLY A 126 -14.795 -18.917 -15.672 1.00 0.00 N ATOM 1847 CA GLY A 126 -14.467 -20.228 -15.143 1.00 0.00 C ATOM 1848 C GLY A 126 -13.278 -20.855 -15.843 1.00 0.00 C ATOM 1849 O GLY A 126 -13.255 -20.997 -17.066 1.00 0.00 O ATOM 0 H GLY A 126 -15.776 -18.788 -15.920 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -14.254 -20.143 -14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.332 -20.884 -15.244 1.00 0.00 H new ATOM 1853 N PRO A 127 -12.261 -21.242 -15.059 1.00 0.00 N ATOM 1854 CA PRO A 127 -11.044 -21.862 -15.590 1.00 0.00 C ATOM 1855 C PRO A 127 -11.295 -23.268 -16.124 1.00 0.00 C ATOM 1856 O PRO A 127 -10.819 -23.629 -17.200 1.00 0.00 O ATOM 1857 CB PRO A 127 -10.112 -21.910 -14.377 1.00 0.00 C ATOM 1858 CG PRO A 127 -11.023 -21.922 -13.199 1.00 0.00 C ATOM 1859 CD PRO A 127 -12.221 -21.103 -13.594 1.00 0.00 C ATOM 0 HA PRO A 127 -10.639 -21.305 -16.435 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -9.481 -22.798 -14.398 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -9.447 -21.047 -14.354 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -11.314 -22.940 -12.941 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -10.533 -21.499 -12.322 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -13.134 -21.476 -13.130 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -12.113 -20.061 -13.292 1.00 0.00 H new ATOM 1867 N SER A 128 -12.046 -24.059 -15.364 1.00 0.00 N ATOM 1868 CA SER A 128 -12.358 -25.428 -15.760 1.00 0.00 C ATOM 1869 C SER A 128 -12.745 -25.492 -17.234 1.00 0.00 C ATOM 1870 O SER A 128 -12.081 -26.154 -18.033 1.00 0.00 O ATOM 1871 CB SER A 128 -13.494 -25.984 -14.898 1.00 0.00 C ATOM 1872 OG SER A 128 -13.741 -27.347 -15.198 1.00 0.00 O ATOM 0 H SER A 128 -12.450 -23.776 -14.471 1.00 0.00 H new ATOM 0 HA SER A 128 -11.466 -26.036 -15.610 1.00 0.00 H new ATOM 0 HB2 SER A 128 -13.239 -25.881 -13.843 1.00 0.00 H new ATOM 0 HB3 SER A 128 -14.400 -25.402 -15.065 1.00 0.00 H new ATOM 0 HG SER A 128 -14.470 -27.679 -14.633 1.00 0.00 H new ATOM 1878 N SER A 129 -13.823 -24.800 -17.588 1.00 0.00 N ATOM 1879 CA SER A 129 -14.301 -24.781 -18.965 1.00 0.00 C ATOM 1880 C SER A 129 -13.296 -24.088 -19.880 1.00 0.00 C ATOM 1881 O SER A 129 -13.446 -22.912 -20.207 1.00 0.00 O ATOM 1882 CB SER A 129 -15.655 -24.074 -19.048 1.00 0.00 C ATOM 1883 OG SER A 129 -16.177 -24.123 -20.364 1.00 0.00 O ATOM 0 H SER A 129 -14.382 -24.245 -16.940 1.00 0.00 H new ATOM 0 HA SER A 129 -14.417 -25.813 -19.297 1.00 0.00 H new ATOM 0 HB2 SER A 129 -16.356 -24.543 -18.358 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.546 -23.036 -18.735 1.00 0.00 H new ATOM 0 HG SER A 129 -17.043 -23.666 -20.390 1.00 0.00 H new ATOM 1889 N GLY A 130 -12.270 -24.828 -20.289 1.00 0.00 N ATOM 1890 CA GLY A 130 -11.254 -24.269 -21.162 1.00 0.00 C ATOM 1891 C GLY A 130 -10.699 -22.958 -20.641 1.00 0.00 C ATOM 1892 O GLY A 130 -10.027 -22.960 -19.610 1.00 0.00 O ATOM 0 H GLY A 130 -12.124 -25.804 -20.032 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -10.440 -24.986 -21.273 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -11.678 -24.112 -22.154 1.00 0.00 H new TER 1896 GLY A 130 HETATM 1897 ZN ZN A 201 13.277 6.133 -3.300 1.00 0.00 ZN