USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -0.84 K(o=-1.2,f=-5.4!) USER MOD Set 1.2: A 32 SER OG : rot 16:sc= -0.362 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0741 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.483 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -82:sc= 1.19 USER MOD Single : A 22 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.24) USER MOD Single : A 23 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.5!) USER MOD Single : A 24 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0687) USER MOD Single : A 33 MET CE :methyl -159:sc= -0.399 (180deg=-1.42!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.48 USER MOD Single : A 38 ASN : amide:sc= -1.08 K(o=-1.1,f=-8.7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.541 USER MOD Single : A 43 MET CE :methyl -149:sc= -0.252 (180deg=-1.78) USER MOD Single : A 44 TYR OH : rot 110:sc= 0 USER MOD Single : A 50 SER OG : rot 85:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.126 K(o=0.13,f=-1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.821 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 66 MET CE :methyl -171:sc= -1.06 (180deg=-1.44) USER MOD Single : A 68 SER OG : rot 76:sc= 0.00486 USER MOD Single : A 73 HIS : no HE2:sc= -6.89! C(o=-6.9!,f=-11!) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.0225 (180deg=-0.374) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.97) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -42:sc= 0.223 USER MOD Single : A 84 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.27 (180deg=-0.916) USER MOD Single : A 102 HIS : no HD1:sc= -3.2 X(o=-3.2,f=-3.5) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -2.17 X(o=-2.2,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.666 5.934 3.131 1.00 0.00 N ATOM 58 CA PRO A 5 17.374 6.559 1.806 1.00 0.00 C ATOM 59 C PRO A 5 16.114 5.959 1.141 1.00 0.00 C ATOM 60 O PRO A 5 15.649 4.907 1.533 1.00 0.00 O ATOM 61 CB PRO A 5 18.651 6.249 0.999 1.00 0.00 C ATOM 62 CG PRO A 5 19.487 5.233 1.798 1.00 0.00 C ATOM 63 CD PRO A 5 18.979 5.233 3.249 1.00 0.00 C ATOM 0 HA PRO A 5 17.154 7.624 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.394 5.844 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.223 7.161 0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.395 4.238 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.543 5.499 1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.866 4.222 3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.661 5.758 3.918 1.00 0.00 H new ATOM 71 N PRO A 6 15.560 6.627 0.149 1.00 0.00 N ATOM 72 CA PRO A 6 14.332 6.122 -0.540 1.00 0.00 C ATOM 73 C PRO A 6 14.534 4.763 -1.236 1.00 0.00 C ATOM 74 O PRO A 6 13.742 3.855 -1.085 1.00 0.00 O ATOM 75 CB PRO A 6 14.050 7.233 -1.576 1.00 0.00 C ATOM 76 CG PRO A 6 15.253 8.195 -1.598 1.00 0.00 C ATOM 77 CD PRO A 6 16.109 7.923 -0.351 1.00 0.00 C ATOM 0 HA PRO A 6 13.518 5.938 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.893 6.799 -2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.139 7.771 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 6 15.842 8.046 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.912 9.230 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.168 7.846 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.010 8.717 0.389 1.00 0.00 H new ATOM 85 N SER A 7 15.570 4.633 -2.014 1.00 0.00 N ATOM 86 CA SER A 7 15.803 3.351 -2.743 1.00 0.00 C ATOM 87 C SER A 7 15.964 2.197 -1.754 1.00 0.00 C ATOM 88 O SER A 7 15.489 1.102 -1.983 1.00 0.00 O ATOM 89 CB SER A 7 17.071 3.466 -3.591 1.00 0.00 C ATOM 90 OG SER A 7 18.207 3.506 -2.736 1.00 0.00 O ATOM 0 H SER A 7 16.268 5.358 -2.179 1.00 0.00 H new ATOM 0 HA SER A 7 14.944 3.154 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.144 2.619 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.032 4.366 -4.204 1.00 0.00 H new ATOM 0 HG SER A 7 19.021 3.578 -3.277 1.00 0.00 H new ATOM 96 N THR A 8 16.639 2.422 -0.665 1.00 0.00 N ATOM 97 CA THR A 8 16.836 1.323 0.323 1.00 0.00 C ATOM 98 C THR A 8 15.510 0.972 1.008 1.00 0.00 C ATOM 99 O THR A 8 15.211 -0.182 1.238 1.00 0.00 O ATOM 100 CB THR A 8 17.855 1.764 1.377 1.00 0.00 C ATOM 101 OG1 THR A 8 19.108 1.997 0.750 1.00 0.00 O ATOM 102 CG2 THR A 8 18.004 0.678 2.445 1.00 0.00 C ATOM 0 H THR A 8 17.063 3.315 -0.414 1.00 0.00 H new ATOM 0 HA THR A 8 17.203 0.440 -0.201 1.00 0.00 H new ATOM 0 HB THR A 8 17.509 2.682 1.853 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.821 1.966 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.731 0.999 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.041 0.506 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.347 -0.246 1.979 1.00 0.00 H new ATOM 110 N ALA A 9 14.716 1.951 1.342 1.00 0.00 N ATOM 111 CA ALA A 9 13.418 1.657 2.017 1.00 0.00 C ATOM 112 C ALA A 9 12.508 0.860 1.082 1.00 0.00 C ATOM 113 O ALA A 9 11.813 -0.045 1.500 1.00 0.00 O ATOM 114 CB ALA A 9 12.727 2.970 2.392 1.00 0.00 C ATOM 0 H ALA A 9 14.908 2.939 1.178 1.00 0.00 H new ATOM 0 HA ALA A 9 13.612 1.071 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.779 2.754 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.367 3.538 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.543 3.554 1.491 1.00 0.00 H new ATOM 120 N LEU A 10 12.494 1.197 -0.176 1.00 0.00 N ATOM 121 CA LEU A 10 11.614 0.468 -1.129 1.00 0.00 C ATOM 122 C LEU A 10 11.999 -1.016 -1.146 1.00 0.00 C ATOM 123 O LEU A 10 11.153 -1.883 -1.043 1.00 0.00 O ATOM 124 CB LEU A 10 11.777 1.071 -2.526 1.00 0.00 C ATOM 125 CG LEU A 10 10.853 0.363 -3.527 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.378 0.641 -3.183 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.166 0.883 -4.930 1.00 0.00 C ATOM 0 H LEU A 10 13.053 1.945 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 10 10.573 0.560 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.546 2.136 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.814 0.978 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 10 11.019 -0.713 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.735 0.133 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.163 0.274 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.191 1.714 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.518 0.390 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.997 1.959 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.207 0.672 -5.172 1.00 0.00 H new ATOM 139 N ARG A 11 13.264 -1.322 -1.276 1.00 0.00 N ATOM 140 CA ARG A 11 13.672 -2.755 -1.296 1.00 0.00 C ATOM 141 C ARG A 11 13.244 -3.397 0.023 1.00 0.00 C ATOM 142 O ARG A 11 12.771 -4.515 0.062 1.00 0.00 O ATOM 143 CB ARG A 11 15.196 -2.866 -1.436 1.00 0.00 C ATOM 144 CG ARG A 11 15.627 -2.425 -2.837 1.00 0.00 C ATOM 145 CD ARG A 11 17.143 -2.584 -2.974 1.00 0.00 C ATOM 146 NE ARG A 11 17.825 -1.791 -1.911 1.00 0.00 N ATOM 147 CZ ARG A 11 19.092 -1.989 -1.661 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.771 -2.845 -2.375 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.680 -1.327 -0.703 1.00 0.00 N ATOM 0 H ARG A 11 14.024 -0.648 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 11 13.200 -3.259 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.685 -2.246 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.512 -3.894 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.117 -3.024 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.342 -1.387 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.418 -3.635 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.467 -2.247 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 11 17.303 -1.095 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.312 -3.359 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.760 -3.000 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.151 -0.654 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.669 -1.482 -0.508 1.00 0.00 H new ATOM 163 N GLU A 12 13.400 -2.685 1.106 1.00 0.00 N ATOM 164 CA GLU A 12 12.998 -3.234 2.430 1.00 0.00 C ATOM 165 C GLU A 12 11.483 -3.439 2.453 1.00 0.00 C ATOM 166 O GLU A 12 10.983 -4.418 2.970 1.00 0.00 O ATOM 167 CB GLU A 12 13.376 -2.229 3.521 1.00 0.00 C ATOM 168 CG GLU A 12 14.897 -2.168 3.665 1.00 0.00 C ATOM 169 CD GLU A 12 15.409 -3.470 4.282 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.621 -4.152 4.916 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.581 -3.761 4.113 1.00 0.00 O ATOM 0 H GLU A 12 13.790 -1.743 1.129 1.00 0.00 H new ATOM 0 HA GLU A 12 13.503 -4.184 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.985 -1.243 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.923 -2.520 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.358 -2.010 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.179 -1.322 4.292 1.00 0.00 H new ATOM 178 N LEU A 13 10.751 -2.506 1.909 1.00 0.00 N ATOM 179 CA LEU A 13 9.268 -2.621 1.909 1.00 0.00 C ATOM 180 C LEU A 13 8.821 -3.716 0.930 1.00 0.00 C ATOM 181 O LEU A 13 7.953 -4.508 1.234 1.00 0.00 O ATOM 182 CB LEU A 13 8.674 -1.265 1.494 1.00 0.00 C ATOM 183 CG LEU A 13 7.139 -1.317 1.476 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.600 -1.585 2.892 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.607 0.032 0.977 1.00 0.00 C ATOM 0 H LEU A 13 11.119 -1.666 1.463 1.00 0.00 H new ATOM 0 HA LEU A 13 8.917 -2.891 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.007 -0.491 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.043 -0.989 0.506 1.00 0.00 H new ATOM 0 HG LEU A 13 6.811 -2.120 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.511 -1.620 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.985 -2.539 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.922 -0.787 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.517 0.009 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.942 0.825 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.983 0.222 -0.029 1.00 0.00 H new ATOM 197 N ILE A 14 9.393 -3.766 -0.247 1.00 0.00 N ATOM 198 CA ILE A 14 8.972 -4.812 -1.228 1.00 0.00 C ATOM 199 C ILE A 14 9.251 -6.215 -0.675 1.00 0.00 C ATOM 200 O ILE A 14 8.398 -7.080 -0.697 1.00 0.00 O ATOM 201 CB ILE A 14 9.725 -4.630 -2.555 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.277 -3.321 -3.217 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.407 -5.810 -3.484 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.138 -3.037 -4.451 1.00 0.00 C ATOM 0 H ILE A 14 10.126 -3.134 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 14 7.901 -4.704 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 14 10.798 -4.593 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.228 -3.389 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.361 -2.498 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.939 -5.685 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.721 -6.740 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.334 -5.844 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.813 -2.106 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.183 -2.949 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.032 -3.854 -5.165 1.00 0.00 H new ATOM 216 N GLU A 15 10.442 -6.454 -0.198 1.00 0.00 N ATOM 217 CA GLU A 15 10.776 -7.809 0.333 1.00 0.00 C ATOM 218 C GLU A 15 9.847 -8.167 1.499 1.00 0.00 C ATOM 219 O GLU A 15 9.416 -9.295 1.631 1.00 0.00 O ATOM 220 CB GLU A 15 12.237 -7.825 0.812 1.00 0.00 C ATOM 221 CG GLU A 15 13.188 -7.992 -0.382 1.00 0.00 C ATOM 222 CD GLU A 15 13.150 -6.740 -1.260 1.00 0.00 C ATOM 223 OE1 GLU A 15 12.142 -6.525 -1.911 1.00 0.00 O ATOM 224 OE2 GLU A 15 14.136 -6.020 -1.273 1.00 0.00 O ATOM 0 H GLU A 15 11.198 -5.771 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 15 10.642 -8.544 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.464 -6.899 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.386 -8.640 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.204 -8.167 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.900 -8.865 -0.967 1.00 0.00 H new ATOM 231 N GLU A 16 9.547 -7.229 2.354 1.00 0.00 N ATOM 232 CA GLU A 16 8.662 -7.546 3.511 1.00 0.00 C ATOM 233 C GLU A 16 7.233 -7.801 3.021 1.00 0.00 C ATOM 234 O GLU A 16 6.599 -8.757 3.419 1.00 0.00 O ATOM 235 CB GLU A 16 8.673 -6.370 4.493 1.00 0.00 C ATOM 236 CG GLU A 16 7.791 -6.690 5.706 1.00 0.00 C ATOM 237 CD GLU A 16 7.838 -5.521 6.693 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.608 -4.604 6.460 1.00 0.00 O ATOM 239 OE2 GLU A 16 7.101 -5.562 7.665 1.00 0.00 O ATOM 0 H GLU A 16 9.873 -6.264 2.303 1.00 0.00 H new ATOM 0 HA GLU A 16 9.028 -8.442 4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.693 -6.167 4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.311 -5.469 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.765 -6.869 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.137 -7.603 6.190 1.00 0.00 H new ATOM 246 N LEU A 17 6.716 -6.960 2.165 1.00 0.00 N ATOM 247 CA LEU A 17 5.326 -7.174 1.667 1.00 0.00 C ATOM 248 C LEU A 17 5.251 -8.487 0.882 1.00 0.00 C ATOM 249 O LEU A 17 4.298 -9.231 0.985 1.00 0.00 O ATOM 250 CB LEU A 17 4.922 -6.021 0.743 1.00 0.00 C ATOM 251 CG LEU A 17 4.785 -4.720 1.543 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.520 -3.571 0.567 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.622 -4.825 2.554 1.00 0.00 C ATOM 0 H LEU A 17 7.192 -6.139 1.791 1.00 0.00 H new ATOM 0 HA LEU A 17 4.650 -7.216 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.668 -5.896 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.978 -6.254 0.251 1.00 0.00 H new ATOM 0 HG LEU A 17 5.705 -4.538 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.420 -2.638 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.351 -3.489 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.600 -3.766 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.540 -3.893 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.691 -5.011 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.813 -5.646 3.245 1.00 0.00 H new ATOM 265 N VAL A 18 6.246 -8.769 0.091 1.00 0.00 N ATOM 266 CA VAL A 18 6.235 -10.021 -0.716 1.00 0.00 C ATOM 267 C VAL A 18 6.302 -11.244 0.206 1.00 0.00 C ATOM 268 O VAL A 18 5.608 -12.223 0.011 1.00 0.00 O ATOM 269 CB VAL A 18 7.451 -10.010 -1.650 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.616 -11.377 -2.321 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.254 -8.937 -2.723 1.00 0.00 C ATOM 0 H VAL A 18 7.072 -8.183 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 18 5.315 -10.075 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 18 8.346 -9.792 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.483 -11.356 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.760 -12.142 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.723 -11.607 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.117 -8.926 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.355 -9.158 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.150 -7.962 -2.248 1.00 0.00 H new ATOM 281 N ASN A 19 7.150 -11.201 1.193 1.00 0.00 N ATOM 282 CA ASN A 19 7.294 -12.362 2.119 1.00 0.00 C ATOM 283 C ASN A 19 5.970 -12.678 2.833 1.00 0.00 C ATOM 284 O ASN A 19 5.604 -13.826 2.989 1.00 0.00 O ATOM 285 CB ASN A 19 8.363 -12.032 3.164 1.00 0.00 C ATOM 286 CG ASN A 19 8.524 -13.213 4.124 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.044 -13.173 5.239 1.00 0.00 O ATOM 288 ND2 ASN A 19 9.184 -14.271 3.736 1.00 0.00 N ATOM 0 H ASN A 19 7.755 -10.407 1.401 1.00 0.00 H new ATOM 0 HA ASN A 19 7.582 -13.236 1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.312 -11.818 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.081 -11.136 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.296 -15.063 4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.587 -14.306 2.800 1.00 0.00 H new ATOM 295 N ILE A 20 5.269 -11.681 3.301 1.00 0.00 N ATOM 296 CA ILE A 20 3.995 -11.942 4.041 1.00 0.00 C ATOM 297 C ILE A 20 2.835 -12.283 3.094 1.00 0.00 C ATOM 298 O ILE A 20 1.845 -12.850 3.514 1.00 0.00 O ATOM 299 CB ILE A 20 3.626 -10.709 4.869 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.421 -9.510 3.942 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.754 -10.402 5.855 1.00 0.00 C ATOM 302 CD1 ILE A 20 3.072 -8.273 4.771 1.00 0.00 C ATOM 0 H ILE A 20 5.521 -10.697 3.205 1.00 0.00 H new ATOM 0 HA ILE A 20 4.160 -12.803 4.689 1.00 0.00 H new ATOM 0 HB ILE A 20 2.704 -10.904 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.325 -9.328 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.623 -9.720 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.492 -9.524 6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.900 -11.255 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.675 -10.208 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.926 -7.420 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.156 -8.457 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.885 -8.059 5.465 1.00 0.00 H new ATOM 314 N THR A 21 2.919 -11.934 1.832 1.00 0.00 N ATOM 315 CA THR A 21 1.779 -12.238 0.900 1.00 0.00 C ATOM 316 C THR A 21 2.045 -13.538 0.136 1.00 0.00 C ATOM 317 O THR A 21 1.126 -14.210 -0.289 1.00 0.00 O ATOM 318 CB THR A 21 1.628 -11.097 -0.118 1.00 0.00 C ATOM 319 OG1 THR A 21 2.884 -10.847 -0.732 1.00 0.00 O ATOM 320 CG2 THR A 21 1.135 -9.822 0.574 1.00 0.00 C ATOM 0 H THR A 21 3.715 -11.458 1.408 1.00 0.00 H new ATOM 0 HA THR A 21 0.869 -12.342 1.491 1.00 0.00 H new ATOM 0 HB THR A 21 0.897 -11.391 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.423 -10.270 -0.151 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.034 -9.024 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.168 -10.011 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.852 -9.522 1.338 1.00 0.00 H new ATOM 328 N GLN A 22 3.281 -13.903 -0.048 1.00 0.00 N ATOM 329 CA GLN A 22 3.574 -15.164 -0.790 1.00 0.00 C ATOM 330 C GLN A 22 3.322 -16.378 0.111 1.00 0.00 C ATOM 331 O GLN A 22 2.954 -17.439 -0.353 1.00 0.00 O ATOM 332 CB GLN A 22 5.035 -15.162 -1.251 1.00 0.00 C ATOM 333 CG GLN A 22 5.226 -14.121 -2.359 1.00 0.00 C ATOM 334 CD GLN A 22 4.504 -14.579 -3.628 1.00 0.00 C ATOM 335 OE1 GLN A 22 4.745 -15.663 -4.121 1.00 0.00 O ATOM 336 NE2 GLN A 22 3.622 -13.793 -4.183 1.00 0.00 N ATOM 0 H GLN A 22 4.098 -13.388 0.280 1.00 0.00 H new ATOM 0 HA GLN A 22 2.918 -15.224 -1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.691 -14.937 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.312 -16.151 -1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.836 -13.156 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.288 -13.984 -2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.419 -12.883 -3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.136 -14.089 -5.030 1.00 0.00 H new ATOM 345 N ASN A 23 3.541 -16.236 1.394 1.00 0.00 N ATOM 346 CA ASN A 23 3.342 -17.385 2.336 1.00 0.00 C ATOM 347 C ASN A 23 2.007 -17.252 3.084 1.00 0.00 C ATOM 348 O ASN A 23 1.811 -17.861 4.117 1.00 0.00 O ATOM 349 CB ASN A 23 4.480 -17.388 3.359 1.00 0.00 C ATOM 350 CG ASN A 23 5.804 -17.695 2.656 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.819 -18.241 1.571 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.927 -17.361 3.234 1.00 0.00 N ATOM 0 H ASN A 23 3.851 -15.369 1.834 1.00 0.00 H new ATOM 0 HA ASN A 23 3.334 -18.312 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.537 -16.420 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.286 -18.132 4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.816 -17.559 2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.915 -16.902 4.145 1.00 0.00 H new ATOM 359 N GLN A 24 1.090 -16.459 2.592 1.00 0.00 N ATOM 360 CA GLN A 24 -0.214 -16.299 3.311 1.00 0.00 C ATOM 361 C GLN A 24 -1.167 -17.446 2.947 1.00 0.00 C ATOM 362 O GLN A 24 -1.359 -17.764 1.790 1.00 0.00 O ATOM 363 CB GLN A 24 -0.844 -14.945 2.938 1.00 0.00 C ATOM 364 CG GLN A 24 -1.435 -14.991 1.521 1.00 0.00 C ATOM 365 CD GLN A 24 -1.858 -13.581 1.099 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.507 -12.611 1.741 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.603 -13.427 0.039 1.00 0.00 N ATOM 0 H GLN A 24 1.184 -15.919 1.732 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.035 -16.328 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.625 -14.692 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.091 -14.159 2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.699 -15.386 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.293 -15.663 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.898 -14.241 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.891 -12.492 -0.251 1.00 0.00 H new ATOM 376 N LYS A 25 -1.776 -18.062 3.930 1.00 0.00 N ATOM 377 CA LYS A 25 -2.731 -19.177 3.645 1.00 0.00 C ATOM 378 C LYS A 25 -4.122 -18.582 3.414 1.00 0.00 C ATOM 379 O LYS A 25 -4.557 -18.416 2.292 1.00 0.00 O ATOM 380 CB LYS A 25 -2.772 -20.138 4.838 1.00 0.00 C ATOM 381 CG LYS A 25 -3.700 -21.315 4.520 1.00 0.00 C ATOM 382 CD LYS A 25 -3.738 -22.272 5.713 1.00 0.00 C ATOM 383 CE LYS A 25 -4.688 -23.433 5.409 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.097 -22.963 5.538 1.00 0.00 N ATOM 0 H LYS A 25 -1.653 -17.841 4.918 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.410 -19.726 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.769 -20.502 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.124 -19.615 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.704 -20.951 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.349 -21.839 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.737 -22.652 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.069 -21.743 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.509 -23.810 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.503 -24.259 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.695 -23.746 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.141 -22.180 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.439 -22.634 4.613 1.00 0.00 H new ATOM 398 N ALA A 26 -4.820 -18.247 4.468 1.00 0.00 N ATOM 399 CA ALA A 26 -6.174 -17.645 4.305 1.00 0.00 C ATOM 400 C ALA A 26 -5.995 -16.151 3.975 1.00 0.00 C ATOM 401 O ALA A 26 -4.949 -15.589 4.228 1.00 0.00 O ATOM 402 CB ALA A 26 -6.973 -17.823 5.618 1.00 0.00 C ATOM 0 H ALA A 26 -4.510 -18.365 5.433 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.724 -18.133 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.964 -17.384 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.070 -18.885 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.448 -17.326 6.434 1.00 0.00 H new ATOM 408 N PRO A 27 -6.995 -15.504 3.423 1.00 0.00 N ATOM 409 CA PRO A 27 -6.867 -14.057 3.094 1.00 0.00 C ATOM 410 C PRO A 27 -6.333 -13.242 4.287 1.00 0.00 C ATOM 411 O PRO A 27 -6.416 -13.662 5.425 1.00 0.00 O ATOM 412 CB PRO A 27 -8.315 -13.669 2.732 1.00 0.00 C ATOM 413 CG PRO A 27 -9.157 -14.959 2.624 1.00 0.00 C ATOM 414 CD PRO A 27 -8.296 -16.149 3.091 1.00 0.00 C ATOM 0 HA PRO A 27 -6.154 -13.856 2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.731 -13.008 3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.336 -13.123 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.054 -14.878 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.486 -15.111 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.732 -16.649 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.187 -16.901 2.309 1.00 0.00 H new ATOM 422 N LEU A 28 -5.783 -12.086 4.031 1.00 0.00 N ATOM 423 CA LEU A 28 -5.239 -11.248 5.141 1.00 0.00 C ATOM 424 C LEU A 28 -6.388 -10.695 5.990 1.00 0.00 C ATOM 425 O LEU A 28 -6.186 -10.237 7.098 1.00 0.00 O ATOM 426 CB LEU A 28 -4.436 -10.085 4.551 1.00 0.00 C ATOM 427 CG LEU A 28 -3.196 -10.619 3.819 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.551 -9.476 3.031 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.177 -11.189 4.827 1.00 0.00 C ATOM 0 H LEU A 28 -5.686 -11.684 3.099 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.593 -11.860 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.059 -9.516 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.134 -9.402 5.345 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.498 -11.417 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.669 -9.847 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.265 -9.085 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.258 -8.681 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.305 -11.563 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.869 -10.403 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.636 -12.004 5.387 1.00 0.00 H new ATOM 441 N CYS A 29 -7.591 -10.730 5.482 1.00 0.00 N ATOM 442 CA CYS A 29 -8.755 -10.204 6.260 1.00 0.00 C ATOM 443 C CYS A 29 -9.998 -11.037 5.943 1.00 0.00 C ATOM 444 O CYS A 29 -10.017 -11.804 5.005 1.00 0.00 O ATOM 445 CB CYS A 29 -9.012 -8.746 5.871 1.00 0.00 C ATOM 446 SG CYS A 29 -7.548 -7.752 6.243 1.00 0.00 S ATOM 0 H CYS A 29 -7.820 -11.101 4.560 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.535 -10.265 7.326 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.249 -8.679 4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.874 -8.360 6.415 1.00 0.00 H new ATOM 451 N ASN A 30 -11.034 -10.893 6.723 1.00 0.00 N ATOM 452 CA ASN A 30 -12.275 -11.674 6.470 1.00 0.00 C ATOM 453 C ASN A 30 -12.912 -11.231 5.148 1.00 0.00 C ATOM 454 O ASN A 30 -14.100 -10.990 5.074 1.00 0.00 O ATOM 455 CB ASN A 30 -13.259 -11.442 7.618 1.00 0.00 C ATOM 456 CG ASN A 30 -13.677 -9.971 7.648 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.997 -9.123 7.106 1.00 0.00 O ATOM 458 ND2 ASN A 30 -14.778 -9.631 8.261 1.00 0.00 N ATOM 0 H ASN A 30 -11.073 -10.266 7.527 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.028 -12.734 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.136 -12.077 7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.798 -11.719 8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.067 -8.653 8.285 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.349 -10.343 8.716 1.00 0.00 H new ATOM 465 N GLY A 31 -12.135 -11.127 4.104 1.00 0.00 N ATOM 466 CA GLY A 31 -12.703 -10.705 2.791 1.00 0.00 C ATOM 467 C GLY A 31 -12.918 -9.189 2.778 1.00 0.00 C ATOM 468 O GLY A 31 -13.829 -8.690 2.148 1.00 0.00 O ATOM 0 H GLY A 31 -11.133 -11.316 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.029 -10.992 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.649 -11.217 2.613 1.00 0.00 H new ATOM 472 N SER A 32 -12.091 -8.452 3.470 1.00 0.00 N ATOM 473 CA SER A 32 -12.260 -6.970 3.491 1.00 0.00 C ATOM 474 C SER A 32 -12.136 -6.416 2.070 1.00 0.00 C ATOM 475 O SER A 32 -11.300 -6.841 1.292 1.00 0.00 O ATOM 476 CB SER A 32 -11.182 -6.344 4.376 1.00 0.00 C ATOM 477 OG SER A 32 -11.419 -6.703 5.731 1.00 0.00 O ATOM 0 H SER A 32 -11.309 -8.810 4.019 1.00 0.00 H new ATOM 0 HA SER A 32 -13.245 -6.727 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.195 -6.687 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.191 -5.259 4.268 1.00 0.00 H new ATOM 0 HG SER A 32 -12.045 -7.456 5.765 1.00 0.00 H new ATOM 483 N MET A 33 -12.967 -5.461 1.731 1.00 0.00 N ATOM 484 CA MET A 33 -12.927 -4.849 0.365 1.00 0.00 C ATOM 485 C MET A 33 -12.367 -3.425 0.465 1.00 0.00 C ATOM 486 O MET A 33 -12.606 -2.726 1.429 1.00 0.00 O ATOM 487 CB MET A 33 -14.349 -4.797 -0.198 1.00 0.00 C ATOM 488 CG MET A 33 -14.918 -6.214 -0.294 1.00 0.00 C ATOM 489 SD MET A 33 -13.988 -7.156 -1.531 1.00 0.00 S ATOM 490 CE MET A 33 -14.501 -6.215 -2.993 1.00 0.00 C ATOM 0 H MET A 33 -13.680 -5.075 2.350 1.00 0.00 H new ATOM 0 HA MET A 33 -12.292 -5.445 -0.291 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.982 -4.183 0.443 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.344 -4.329 -1.183 1.00 0.00 H new ATOM 0 HG2 MET A 33 -14.858 -6.708 0.676 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.972 -6.176 -0.567 1.00 0.00 H new ATOM 0 HE1 MET A 33 -14.358 -6.823 -3.886 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.554 -5.947 -2.902 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.901 -5.308 -3.071 1.00 0.00 H new ATOM 500 N VAL A 34 -11.620 -2.990 -0.526 1.00 0.00 N ATOM 501 CA VAL A 34 -11.033 -1.607 -0.499 1.00 0.00 C ATOM 502 C VAL A 34 -11.301 -0.896 -1.830 1.00 0.00 C ATOM 503 O VAL A 34 -11.579 -1.518 -2.835 1.00 0.00 O ATOM 504 CB VAL A 34 -9.525 -1.699 -0.262 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.262 -2.187 1.163 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.913 -2.691 -1.253 1.00 0.00 C ATOM 0 H VAL A 34 -11.390 -3.536 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.496 -1.038 0.307 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.076 -0.716 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.187 -2.253 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.699 -1.486 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.712 -3.170 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.838 -2.757 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.364 -3.673 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.101 -2.351 -2.271 1.00 0.00 H new ATOM 516 N TRP A 35 -11.223 0.410 -1.836 1.00 0.00 N ATOM 517 CA TRP A 35 -11.477 1.179 -3.091 1.00 0.00 C ATOM 518 C TRP A 35 -10.275 1.069 -4.030 1.00 0.00 C ATOM 519 O TRP A 35 -9.145 1.273 -3.631 1.00 0.00 O ATOM 520 CB TRP A 35 -11.685 2.657 -2.751 1.00 0.00 C ATOM 521 CG TRP A 35 -12.978 2.845 -2.028 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.116 2.877 -0.683 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.312 3.039 -2.581 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.448 3.074 -0.374 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.226 3.180 -1.511 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.812 3.103 -3.894 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.589 3.377 -1.735 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.184 3.302 -4.123 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.070 3.438 -3.045 1.00 0.00 C ATOM 0 H TRP A 35 -10.993 0.979 -1.021 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.363 0.770 -3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.860 3.015 -2.135 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.682 3.251 -3.665 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.315 2.767 0.033 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.812 3.134 0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.138 2.999 -4.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.267 3.482 -0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.558 3.350 -5.135 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.124 3.590 -3.227 1.00 0.00 H new ATOM 540 N SER A 36 -10.507 0.780 -5.281 1.00 0.00 N ATOM 541 CA SER A 36 -9.373 0.696 -6.241 1.00 0.00 C ATOM 542 C SER A 36 -8.831 2.110 -6.463 1.00 0.00 C ATOM 543 O SER A 36 -9.537 3.082 -6.278 1.00 0.00 O ATOM 544 CB SER A 36 -9.861 0.115 -7.568 1.00 0.00 C ATOM 545 OG SER A 36 -10.696 1.064 -8.216 1.00 0.00 O ATOM 0 H SER A 36 -11.429 0.599 -5.678 1.00 0.00 H new ATOM 0 HA SER A 36 -8.590 0.050 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.011 -0.133 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.410 -0.810 -7.393 1.00 0.00 H new ATOM 0 HG SER A 36 -11.010 0.696 -9.068 1.00 0.00 H new ATOM 551 N ILE A 37 -7.586 2.240 -6.847 1.00 0.00 N ATOM 552 CA ILE A 37 -6.998 3.601 -7.069 1.00 0.00 C ATOM 553 C ILE A 37 -6.183 3.614 -8.361 1.00 0.00 C ATOM 554 O ILE A 37 -5.846 2.582 -8.906 1.00 0.00 O ATOM 555 CB ILE A 37 -6.084 3.955 -5.892 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.094 2.807 -5.644 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.933 4.180 -4.638 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.929 3.306 -4.787 1.00 0.00 C ATOM 0 H ILE A 37 -6.949 1.462 -7.017 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.804 4.331 -7.146 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.530 4.864 -6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.599 1.981 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.721 2.424 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.284 4.432 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.632 4.997 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.488 3.271 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.229 2.489 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.418 4.118 -5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.309 3.668 -3.831 1.00 0.00 H new ATOM 570 N ASN A 38 -5.848 4.779 -8.846 1.00 0.00 N ATOM 571 CA ASN A 38 -5.036 4.864 -10.092 1.00 0.00 C ATOM 572 C ASN A 38 -3.562 4.773 -9.708 1.00 0.00 C ATOM 573 O ASN A 38 -3.052 5.594 -8.972 1.00 0.00 O ATOM 574 CB ASN A 38 -5.307 6.198 -10.793 1.00 0.00 C ATOM 575 CG ASN A 38 -4.972 7.355 -9.848 1.00 0.00 C ATOM 576 OD1 ASN A 38 -4.893 7.173 -8.649 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.773 8.546 -10.342 1.00 0.00 N ATOM 0 H ASN A 38 -6.102 5.676 -8.432 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.298 4.052 -10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.707 6.271 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.352 6.255 -11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.551 9.325 -9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.839 8.698 -11.348 1.00 0.00 H new ATOM 584 N LEU A 39 -2.873 3.774 -10.184 1.00 0.00 N ATOM 585 CA LEU A 39 -1.437 3.632 -9.821 1.00 0.00 C ATOM 586 C LEU A 39 -0.603 4.593 -10.675 1.00 0.00 C ATOM 587 O LEU A 39 -0.456 4.412 -11.867 1.00 0.00 O ATOM 588 CB LEU A 39 -0.975 2.190 -10.078 1.00 0.00 C ATOM 589 CG LEU A 39 -1.625 1.210 -9.078 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.201 1.543 -7.635 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.157 1.269 -9.196 1.00 0.00 C ATOM 0 H LEU A 39 -3.240 3.053 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.306 3.868 -8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.232 1.899 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.110 2.133 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.285 0.203 -9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.670 0.840 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.117 1.468 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.515 2.557 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.604 0.573 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.500 2.280 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.455 0.995 -10.208 1.00 0.00 H new ATOM 603 N THR A 40 -0.055 5.619 -10.069 1.00 0.00 N ATOM 604 CA THR A 40 0.774 6.600 -10.836 1.00 0.00 C ATOM 605 C THR A 40 1.957 7.055 -9.977 1.00 0.00 C ATOM 606 O THR A 40 2.945 6.357 -9.853 1.00 0.00 O ATOM 607 CB THR A 40 -0.080 7.818 -11.201 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.641 8.375 -10.019 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.202 7.395 -12.150 1.00 0.00 C ATOM 0 H THR A 40 -0.147 5.819 -9.073 1.00 0.00 H new ATOM 0 HA THR A 40 1.143 6.125 -11.745 1.00 0.00 H new ATOM 0 HB THR A 40 0.545 8.563 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.186 9.155 -10.252 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.808 8.264 -12.408 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.771 6.971 -13.057 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.828 6.648 -11.663 1.00 0.00 H new ATOM 617 N ALA A 41 1.866 8.224 -9.385 1.00 0.00 N ATOM 618 CA ALA A 41 2.986 8.741 -8.531 1.00 0.00 C ATOM 619 C ALA A 41 2.561 8.745 -7.061 1.00 0.00 C ATOM 620 O ALA A 41 3.118 8.040 -6.243 1.00 0.00 O ATOM 621 CB ALA A 41 3.325 10.171 -8.955 1.00 0.00 C ATOM 0 H ALA A 41 1.060 8.845 -9.457 1.00 0.00 H new ATOM 0 HA ALA A 41 3.857 8.098 -8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.139 10.551 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.631 10.177 -10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.448 10.805 -8.830 1.00 0.00 H new ATOM 627 N GLY A 42 1.581 9.536 -6.715 1.00 0.00 N ATOM 628 CA GLY A 42 1.126 9.587 -5.294 1.00 0.00 C ATOM 629 C GLY A 42 0.474 8.257 -4.915 1.00 0.00 C ATOM 630 O GLY A 42 -0.534 8.219 -4.237 1.00 0.00 O ATOM 0 H GLY A 42 1.075 10.149 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.973 9.788 -4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.416 10.403 -5.158 1.00 0.00 H new ATOM 634 N MET A 43 1.035 7.167 -5.355 1.00 0.00 N ATOM 635 CA MET A 43 0.447 5.839 -5.032 1.00 0.00 C ATOM 636 C MET A 43 0.456 5.617 -3.517 1.00 0.00 C ATOM 637 O MET A 43 -0.481 5.093 -2.951 1.00 0.00 O ATOM 638 CB MET A 43 1.287 4.749 -5.695 1.00 0.00 C ATOM 639 CG MET A 43 1.243 4.925 -7.211 1.00 0.00 C ATOM 640 SD MET A 43 1.979 3.476 -8.008 1.00 0.00 S ATOM 641 CE MET A 43 3.629 3.635 -7.282 1.00 0.00 C ATOM 0 H MET A 43 1.879 7.139 -5.927 1.00 0.00 H new ATOM 0 HA MET A 43 -0.579 5.802 -5.397 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.317 4.803 -5.342 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.907 3.765 -5.421 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.213 5.052 -7.543 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.784 5.826 -7.499 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.372 3.248 -7.979 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.836 4.685 -7.076 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.674 3.068 -6.352 1.00 0.00 H new ATOM 651 N TYR A 44 1.517 6.001 -2.862 1.00 0.00 N ATOM 652 CA TYR A 44 1.603 5.803 -1.387 1.00 0.00 C ATOM 653 C TYR A 44 0.469 6.555 -0.687 1.00 0.00 C ATOM 654 O TYR A 44 -0.214 6.018 0.162 1.00 0.00 O ATOM 655 CB TYR A 44 2.947 6.339 -0.892 1.00 0.00 C ATOM 656 CG TYR A 44 4.062 5.537 -1.515 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.542 5.884 -2.782 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.613 4.446 -0.831 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.574 5.143 -3.368 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.646 3.704 -1.416 1.00 0.00 C ATOM 661 CZ TYR A 44 6.127 4.053 -2.685 1.00 0.00 C ATOM 662 OH TYR A 44 7.145 3.323 -3.262 1.00 0.00 O ATOM 0 H TYR A 44 2.331 6.445 -3.286 1.00 0.00 H new ATOM 0 HA TYR A 44 1.516 4.740 -1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.051 7.392 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.000 6.274 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.116 6.725 -3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.241 4.177 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.944 5.412 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.072 2.863 -0.889 1.00 0.00 H new ATOM 0 HH TYR A 44 7.981 3.489 -2.779 1.00 0.00 H new ATOM 672 N CYS A 45 0.272 7.797 -1.030 1.00 0.00 N ATOM 673 CA CYS A 45 -0.807 8.589 -0.379 1.00 0.00 C ATOM 674 C CYS A 45 -2.179 8.057 -0.802 1.00 0.00 C ATOM 675 O CYS A 45 -3.037 7.822 0.023 1.00 0.00 O ATOM 676 CB CYS A 45 -0.667 10.058 -0.778 1.00 0.00 C ATOM 677 SG CYS A 45 0.861 10.723 -0.064 1.00 0.00 S ATOM 0 H CYS A 45 0.813 8.298 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.719 8.499 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.647 10.153 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.526 10.627 -0.424 1.00 0.00 H new ATOM 682 N ALA A 46 -2.396 7.864 -2.075 1.00 0.00 N ATOM 683 CA ALA A 46 -3.719 7.346 -2.532 1.00 0.00 C ATOM 684 C ALA A 46 -3.975 5.975 -1.897 1.00 0.00 C ATOM 685 O ALA A 46 -5.065 5.676 -1.448 1.00 0.00 O ATOM 686 CB ALA A 46 -3.714 7.212 -4.056 1.00 0.00 C ATOM 0 H ALA A 46 -1.718 8.042 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.506 8.038 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.680 6.834 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.530 8.187 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.928 6.519 -4.358 1.00 0.00 H new ATOM 692 N ALA A 47 -2.980 5.137 -1.857 1.00 0.00 N ATOM 693 CA ALA A 47 -3.167 3.792 -1.248 1.00 0.00 C ATOM 694 C ALA A 47 -3.430 3.932 0.256 1.00 0.00 C ATOM 695 O ALA A 47 -4.230 3.217 0.825 1.00 0.00 O ATOM 696 CB ALA A 47 -1.913 2.944 -1.476 1.00 0.00 C ATOM 0 H ALA A 47 -2.045 5.324 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.022 3.304 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.053 1.960 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.737 2.835 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.055 3.433 -1.015 1.00 0.00 H new ATOM 702 N LEU A 48 -2.745 4.834 0.910 1.00 0.00 N ATOM 703 CA LEU A 48 -2.938 4.998 2.381 1.00 0.00 C ATOM 704 C LEU A 48 -4.394 5.365 2.693 1.00 0.00 C ATOM 705 O LEU A 48 -5.018 4.755 3.536 1.00 0.00 O ATOM 706 CB LEU A 48 -1.996 6.096 2.895 1.00 0.00 C ATOM 707 CG LEU A 48 -2.190 6.317 4.405 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.950 5.009 5.174 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.188 7.376 4.881 1.00 0.00 C ATOM 0 H LEU A 48 -2.061 5.463 0.489 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.708 4.056 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.962 5.818 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.187 7.026 2.359 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.211 6.649 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.091 5.183 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.656 4.252 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.932 4.663 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.315 7.542 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.173 7.030 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.363 8.309 4.346 1.00 0.00 H new ATOM 721 N GLU A 49 -4.949 6.347 2.034 1.00 0.00 N ATOM 722 CA GLU A 49 -6.365 6.714 2.335 1.00 0.00 C ATOM 723 C GLU A 49 -7.266 5.502 2.102 1.00 0.00 C ATOM 724 O GLU A 49 -8.177 5.244 2.862 1.00 0.00 O ATOM 725 CB GLU A 49 -6.818 7.872 1.439 1.00 0.00 C ATOM 726 CG GLU A 49 -6.416 7.597 -0.007 1.00 0.00 C ATOM 727 CD GLU A 49 -6.880 8.753 -0.890 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.069 8.830 -1.150 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.040 9.541 -1.290 1.00 0.00 O ATOM 0 H GLU A 49 -4.493 6.904 1.311 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.435 7.028 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.899 7.996 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.368 8.805 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.335 7.480 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.861 6.662 -0.349 1.00 0.00 H new ATOM 736 N SER A 50 -7.021 4.746 1.067 1.00 0.00 N ATOM 737 CA SER A 50 -7.875 3.553 0.817 1.00 0.00 C ATOM 738 C SER A 50 -7.696 2.552 1.964 1.00 0.00 C ATOM 739 O SER A 50 -8.646 1.964 2.442 1.00 0.00 O ATOM 740 CB SER A 50 -7.465 2.901 -0.503 1.00 0.00 C ATOM 741 OG SER A 50 -7.847 3.748 -1.579 1.00 0.00 O ATOM 0 H SER A 50 -6.274 4.901 0.390 1.00 0.00 H new ATOM 0 HA SER A 50 -8.920 3.856 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.388 2.733 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.941 1.926 -0.605 1.00 0.00 H new ATOM 0 HG SER A 50 -7.152 4.423 -1.727 1.00 0.00 H new ATOM 747 N LEU A 51 -6.483 2.360 2.411 1.00 0.00 N ATOM 748 CA LEU A 51 -6.234 1.403 3.530 1.00 0.00 C ATOM 749 C LEU A 51 -6.799 1.969 4.839 1.00 0.00 C ATOM 750 O LEU A 51 -7.202 1.234 5.718 1.00 0.00 O ATOM 751 CB LEU A 51 -4.725 1.172 3.684 1.00 0.00 C ATOM 752 CG LEU A 51 -4.183 0.364 2.492 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.651 0.349 2.552 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.713 -1.084 2.531 1.00 0.00 C ATOM 0 H LEU A 51 -5.651 2.826 2.048 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.727 0.457 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.208 2.130 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.525 0.640 4.614 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.518 0.831 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.259 -0.222 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.275 1.371 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.328 -0.113 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.318 -1.639 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.394 -1.563 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.802 -1.074 2.484 1.00 0.00 H new ATOM 766 N ILE A 52 -6.822 3.267 4.981 1.00 0.00 N ATOM 767 CA ILE A 52 -7.349 3.874 6.240 1.00 0.00 C ATOM 768 C ILE A 52 -8.779 3.376 6.485 1.00 0.00 C ATOM 769 O ILE A 52 -9.290 3.452 7.585 1.00 0.00 O ATOM 770 CB ILE A 52 -7.318 5.412 6.113 1.00 0.00 C ATOM 771 CG1 ILE A 52 -5.877 5.919 6.335 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.261 6.071 7.130 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.496 5.935 7.831 1.00 0.00 C ATOM 0 H ILE A 52 -6.499 3.934 4.280 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.730 3.580 7.087 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.655 5.681 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.180 5.282 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.779 6.924 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.218 7.154 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.281 5.728 6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.954 5.799 8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.474 6.298 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.176 6.593 8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.568 4.925 8.236 1.00 0.00 H new ATOM 785 N ASN A 53 -9.427 2.859 5.476 1.00 0.00 N ATOM 786 CA ASN A 53 -10.817 2.350 5.666 1.00 0.00 C ATOM 787 C ASN A 53 -10.759 0.905 6.166 1.00 0.00 C ATOM 788 O ASN A 53 -11.751 0.342 6.586 1.00 0.00 O ATOM 789 CB ASN A 53 -11.568 2.400 4.333 1.00 0.00 C ATOM 790 CG ASN A 53 -11.837 3.857 3.957 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.446 4.307 2.899 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.494 4.619 4.788 1.00 0.00 N ATOM 0 H ASN A 53 -9.056 2.767 4.530 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.337 2.970 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.981 1.914 3.554 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.508 1.854 4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.679 5.593 4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.822 4.240 5.676 1.00 0.00 H new ATOM 799 N VAL A 54 -9.599 0.302 6.129 1.00 0.00 N ATOM 800 CA VAL A 54 -9.464 -1.107 6.605 1.00 0.00 C ATOM 801 C VAL A 54 -9.115 -1.107 8.097 1.00 0.00 C ATOM 802 O VAL A 54 -8.105 -0.566 8.505 1.00 0.00 O ATOM 803 CB VAL A 54 -8.352 -1.803 5.816 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.149 -3.220 6.355 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.748 -1.875 4.339 1.00 0.00 C ATOM 0 H VAL A 54 -8.736 0.726 5.788 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.403 -1.639 6.453 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.425 -1.239 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.357 -3.714 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.870 -3.172 7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.075 -3.785 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.958 -2.370 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.675 -2.440 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.893 -0.867 3.952 1.00 0.00 H new ATOM 815 N SER A 55 -9.949 -1.706 8.914 1.00 0.00 N ATOM 816 CA SER A 55 -9.685 -1.746 10.390 1.00 0.00 C ATOM 817 C SER A 55 -9.805 -3.186 10.898 1.00 0.00 C ATOM 818 O SER A 55 -10.606 -3.962 10.416 1.00 0.00 O ATOM 819 CB SER A 55 -10.712 -0.871 11.111 1.00 0.00 C ATOM 820 OG SER A 55 -10.459 0.495 10.812 1.00 0.00 O ATOM 0 H SER A 55 -10.807 -2.172 8.620 1.00 0.00 H new ATOM 0 HA SER A 55 -8.679 -1.375 10.587 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.721 -1.142 10.799 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.656 -1.036 12.187 1.00 0.00 H new ATOM 0 HG SER A 55 -11.117 1.058 11.271 1.00 0.00 H new ATOM 826 N GLY A 56 -9.019 -3.543 11.882 1.00 0.00 N ATOM 827 CA GLY A 56 -9.084 -4.928 12.445 1.00 0.00 C ATOM 828 C GLY A 56 -8.059 -5.836 11.760 1.00 0.00 C ATOM 829 O GLY A 56 -7.803 -6.935 12.209 1.00 0.00 O ATOM 0 H GLY A 56 -8.331 -2.932 12.323 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.893 -4.900 13.518 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.086 -5.335 12.310 1.00 0.00 H new ATOM 833 N CYS A 57 -7.457 -5.393 10.685 1.00 0.00 N ATOM 834 CA CYS A 57 -6.441 -6.247 9.994 1.00 0.00 C ATOM 835 C CYS A 57 -5.046 -5.868 10.493 1.00 0.00 C ATOM 836 O CYS A 57 -4.383 -5.020 9.931 1.00 0.00 O ATOM 837 CB CYS A 57 -6.513 -6.020 8.482 1.00 0.00 C ATOM 838 SG CYS A 57 -8.087 -6.643 7.844 1.00 0.00 S ATOM 0 H CYS A 57 -7.623 -4.482 10.257 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.643 -7.296 10.211 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.415 -4.958 8.259 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.684 -6.527 7.989 1.00 0.00 H new ATOM 843 N SER A 58 -4.595 -6.491 11.547 1.00 0.00 N ATOM 844 CA SER A 58 -3.244 -6.170 12.084 1.00 0.00 C ATOM 845 C SER A 58 -2.175 -6.678 11.115 1.00 0.00 C ATOM 846 O SER A 58 -1.100 -6.123 11.011 1.00 0.00 O ATOM 847 CB SER A 58 -3.063 -6.838 13.449 1.00 0.00 C ATOM 848 OG SER A 58 -1.879 -6.344 14.063 1.00 0.00 O ATOM 0 H SER A 58 -5.105 -7.210 12.060 1.00 0.00 H new ATOM 0 HA SER A 58 -3.145 -5.090 12.196 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.926 -6.635 14.083 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.001 -7.920 13.331 1.00 0.00 H new ATOM 0 HG SER A 58 -1.762 -6.770 14.938 1.00 0.00 H new ATOM 854 N ALA A 59 -2.461 -7.738 10.413 1.00 0.00 N ATOM 855 CA ALA A 59 -1.463 -8.297 9.458 1.00 0.00 C ATOM 856 C ALA A 59 -0.903 -7.189 8.558 1.00 0.00 C ATOM 857 O ALA A 59 0.088 -7.384 7.882 1.00 0.00 O ATOM 858 CB ALA A 59 -2.133 -9.364 8.586 1.00 0.00 C ATOM 0 H ALA A 59 -3.346 -8.243 10.459 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.645 -8.740 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.404 -9.773 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.517 -10.163 9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.956 -8.915 8.030 1.00 0.00 H new ATOM 864 N ILE A 60 -1.534 -6.037 8.525 1.00 0.00 N ATOM 865 CA ILE A 60 -1.042 -4.922 7.645 1.00 0.00 C ATOM 866 C ILE A 60 -0.853 -3.628 8.446 1.00 0.00 C ATOM 867 O ILE A 60 -0.587 -2.586 7.881 1.00 0.00 O ATOM 868 CB ILE A 60 -2.070 -4.684 6.538 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.444 -4.453 7.172 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.129 -5.910 5.625 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.470 -4.123 6.085 1.00 0.00 C ATOM 0 H ILE A 60 -2.369 -5.819 9.069 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.078 -5.205 7.223 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.784 -3.811 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.755 -5.342 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.389 -3.637 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.862 -5.741 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.149 -6.080 5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.419 -6.784 6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.446 -3.960 6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.162 -3.221 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.534 -4.953 5.381 1.00 0.00 H new ATOM 883 N GLU A 61 -0.974 -3.664 9.747 1.00 0.00 N ATOM 884 CA GLU A 61 -0.779 -2.403 10.520 1.00 0.00 C ATOM 885 C GLU A 61 0.636 -1.891 10.261 1.00 0.00 C ATOM 886 O GLU A 61 0.861 -0.709 10.089 1.00 0.00 O ATOM 887 CB GLU A 61 -0.970 -2.661 12.022 1.00 0.00 C ATOM 888 CG GLU A 61 0.167 -3.540 12.557 1.00 0.00 C ATOM 889 CD GLU A 61 -0.157 -3.989 13.983 1.00 0.00 C ATOM 890 OE1 GLU A 61 -0.865 -3.265 14.665 1.00 0.00 O ATOM 891 OE2 GLU A 61 0.312 -5.046 14.372 1.00 0.00 O ATOM 0 H GLU A 61 -1.195 -4.493 10.298 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.513 -1.662 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.992 -1.714 12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.929 -3.149 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.302 -4.409 11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.105 -2.986 12.544 1.00 0.00 H new ATOM 898 N LYS A 62 1.589 -2.780 10.220 1.00 0.00 N ATOM 899 CA LYS A 62 2.991 -2.358 9.958 1.00 0.00 C ATOM 900 C LYS A 62 3.061 -1.725 8.571 1.00 0.00 C ATOM 901 O LYS A 62 3.737 -0.740 8.353 1.00 0.00 O ATOM 902 CB LYS A 62 3.903 -3.582 10.002 1.00 0.00 C ATOM 903 CG LYS A 62 3.992 -4.090 11.438 1.00 0.00 C ATOM 904 CD LYS A 62 4.904 -5.317 11.491 1.00 0.00 C ATOM 905 CE LYS A 62 4.993 -5.826 12.929 1.00 0.00 C ATOM 906 NZ LYS A 62 5.717 -7.128 12.949 1.00 0.00 N ATOM 0 H LYS A 62 1.456 -3.782 10.357 1.00 0.00 H new ATOM 0 HA LYS A 62 3.312 -1.639 10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.514 -4.364 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.896 -3.324 9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.381 -3.307 12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.999 -4.346 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.515 -6.100 10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.897 -5.061 11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.513 -5.099 13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.993 -5.947 13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.779 -7.476 13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.203 -7.820 12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.675 -6.998 12.567 1.00 0.00 H new ATOM 920 N THR A 63 2.362 -2.291 7.629 1.00 0.00 N ATOM 921 CA THR A 63 2.377 -1.731 6.254 1.00 0.00 C ATOM 922 C THR A 63 1.844 -0.296 6.276 1.00 0.00 C ATOM 923 O THR A 63 2.343 0.568 5.590 1.00 0.00 O ATOM 924 CB THR A 63 1.503 -2.591 5.336 1.00 0.00 C ATOM 925 OG1 THR A 63 2.012 -3.917 5.311 1.00 0.00 O ATOM 926 CG2 THR A 63 1.521 -2.012 3.918 1.00 0.00 C ATOM 0 H THR A 63 1.780 -3.119 7.754 1.00 0.00 H new ATOM 0 HA THR A 63 3.400 -1.730 5.878 1.00 0.00 H new ATOM 0 HB THR A 63 0.479 -2.598 5.710 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.454 -4.471 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.899 -2.625 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.134 -0.993 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.544 -2.005 3.541 1.00 0.00 H new ATOM 934 N GLN A 64 0.825 -0.039 7.049 1.00 0.00 N ATOM 935 CA GLN A 64 0.250 1.337 7.088 1.00 0.00 C ATOM 936 C GLN A 64 1.297 2.358 7.545 1.00 0.00 C ATOM 937 O GLN A 64 1.459 3.393 6.931 1.00 0.00 O ATOM 938 CB GLN A 64 -0.942 1.365 8.047 1.00 0.00 C ATOM 939 CG GLN A 64 -2.104 0.577 7.439 1.00 0.00 C ATOM 940 CD GLN A 64 -3.285 0.577 8.413 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.096 0.571 9.613 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.504 0.584 7.944 1.00 0.00 N ATOM 0 H GLN A 64 0.366 -0.720 7.654 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.074 1.603 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.660 0.934 9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.246 2.394 8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.402 1.022 6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.793 -0.446 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.663 0.589 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.297 0.584 8.585 1.00 0.00 H new ATOM 951 N ARG A 65 2.007 2.098 8.610 1.00 0.00 N ATOM 952 CA ARG A 65 3.021 3.095 9.056 1.00 0.00 C ATOM 953 C ARG A 65 4.148 3.188 8.024 1.00 0.00 C ATOM 954 O ARG A 65 4.637 4.260 7.729 1.00 0.00 O ATOM 955 CB ARG A 65 3.585 2.716 10.430 1.00 0.00 C ATOM 956 CG ARG A 65 4.095 1.277 10.417 1.00 0.00 C ATOM 957 CD ARG A 65 4.650 0.930 11.800 1.00 0.00 C ATOM 958 NE ARG A 65 5.188 -0.460 11.794 1.00 0.00 N ATOM 959 CZ ARG A 65 5.941 -0.869 12.779 1.00 0.00 C ATOM 960 NH1 ARG A 65 6.216 -0.062 13.767 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.419 -2.084 12.779 1.00 0.00 N ATOM 0 H ARG A 65 1.932 1.256 9.180 1.00 0.00 H new ATOM 0 HA ARG A 65 2.539 4.069 9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.396 3.394 10.697 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.813 2.828 11.191 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.287 0.594 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.871 1.160 9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.437 1.633 12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.865 1.023 12.551 1.00 0.00 H new ATOM 0 HE ARG A 65 4.968 -1.090 11.022 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.843 0.887 13.769 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.804 -0.381 14.537 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.204 -2.716 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.007 -2.401 13.550 1.00 0.00 H new ATOM 975 N MET A 66 4.569 2.083 7.466 1.00 0.00 N ATOM 976 CA MET A 66 5.662 2.150 6.455 1.00 0.00 C ATOM 977 C MET A 66 5.191 2.964 5.242 1.00 0.00 C ATOM 978 O MET A 66 5.934 3.755 4.697 1.00 0.00 O ATOM 979 CB MET A 66 6.074 0.739 6.018 1.00 0.00 C ATOM 980 CG MET A 66 6.798 0.039 7.175 1.00 0.00 C ATOM 981 SD MET A 66 7.556 -1.498 6.586 1.00 0.00 S ATOM 982 CE MET A 66 6.031 -2.421 6.290 1.00 0.00 C ATOM 0 H MET A 66 4.208 1.150 7.664 1.00 0.00 H new ATOM 0 HA MET A 66 6.529 2.638 6.901 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.195 0.166 5.725 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.725 0.792 5.146 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.562 0.697 7.589 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.094 -0.177 7.979 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.272 -3.461 6.071 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.399 -2.374 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.501 -1.985 5.443 1.00 0.00 H new ATOM 992 N LEU A 67 3.961 2.799 4.823 1.00 0.00 N ATOM 993 CA LEU A 67 3.467 3.594 3.658 1.00 0.00 C ATOM 994 C LEU A 67 3.535 5.082 4.002 1.00 0.00 C ATOM 995 O LEU A 67 3.889 5.904 3.180 1.00 0.00 O ATOM 996 CB LEU A 67 2.017 3.223 3.319 1.00 0.00 C ATOM 997 CG LEU A 67 1.946 1.810 2.722 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.476 1.386 2.621 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.595 1.781 1.322 1.00 0.00 C ATOM 0 H LEU A 67 3.284 2.155 5.232 1.00 0.00 H new ATOM 0 HA LEU A 67 4.095 3.374 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.403 3.275 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.608 3.944 2.611 1.00 0.00 H new ATOM 0 HG LEU A 67 2.489 1.120 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.415 0.383 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.027 1.389 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.061 2.084 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.536 0.772 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.068 2.471 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.640 2.080 1.399 1.00 0.00 H new ATOM 1011 N SER A 68 3.194 5.435 5.211 1.00 0.00 N ATOM 1012 CA SER A 68 3.235 6.870 5.608 1.00 0.00 C ATOM 1013 C SER A 68 4.643 7.417 5.376 1.00 0.00 C ATOM 1014 O SER A 68 4.820 8.557 4.993 1.00 0.00 O ATOM 1015 CB SER A 68 2.873 7.005 7.086 1.00 0.00 C ATOM 1016 OG SER A 68 1.495 6.706 7.262 1.00 0.00 O ATOM 0 H SER A 68 2.889 4.791 5.941 1.00 0.00 H new ATOM 0 HA SER A 68 2.519 7.434 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.483 6.328 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.085 8.016 7.433 1.00 0.00 H new ATOM 0 HG SER A 68 1.362 5.736 7.214 1.00 0.00 H new ATOM 1022 N GLY A 69 5.648 6.615 5.601 1.00 0.00 N ATOM 1023 CA GLY A 69 7.042 7.097 5.387 1.00 0.00 C ATOM 1024 C GLY A 69 7.138 7.752 4.009 1.00 0.00 C ATOM 1025 O GLY A 69 7.914 8.660 3.792 1.00 0.00 O ATOM 0 H GLY A 69 5.565 5.651 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.316 7.812 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.743 6.265 5.458 1.00 0.00 H new ATOM 1029 N PHE A 70 6.342 7.299 3.076 1.00 0.00 N ATOM 1030 CA PHE A 70 6.365 7.892 1.706 1.00 0.00 C ATOM 1031 C PHE A 70 5.246 8.931 1.587 1.00 0.00 C ATOM 1032 O PHE A 70 5.137 9.631 0.601 1.00 0.00 O ATOM 1033 CB PHE A 70 6.138 6.787 0.677 1.00 0.00 C ATOM 1034 CG PHE A 70 7.330 5.859 0.661 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.404 6.115 -0.199 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.357 4.740 1.502 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.507 5.253 -0.217 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.460 3.878 1.484 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.535 4.134 0.625 1.00 0.00 C ATOM 0 H PHE A 70 5.673 6.540 3.205 1.00 0.00 H new ATOM 0 HA PHE A 70 7.329 8.369 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.233 6.230 0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.989 7.221 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.382 6.977 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.527 4.542 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.336 5.451 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.481 3.015 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.386 3.469 0.611 1.00 0.00 H new ATOM 1049 N CYS A 71 4.413 9.029 2.593 1.00 0.00 N ATOM 1050 CA CYS A 71 3.285 10.014 2.567 1.00 0.00 C ATOM 1051 C CYS A 71 3.242 10.745 3.922 1.00 0.00 C ATOM 1052 O CYS A 71 2.442 10.416 4.776 1.00 0.00 O ATOM 1053 CB CYS A 71 1.970 9.258 2.352 1.00 0.00 C ATOM 1054 SG CYS A 71 0.659 10.430 1.927 1.00 0.00 S ATOM 0 H CYS A 71 4.466 8.463 3.440 1.00 0.00 H new ATOM 0 HA CYS A 71 3.427 10.734 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.087 8.523 1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.702 8.709 3.255 1.00 0.00 H new ATOM 1059 N PRO A 72 4.112 11.712 4.134 1.00 0.00 N ATOM 1060 CA PRO A 72 4.158 12.449 5.435 1.00 0.00 C ATOM 1061 C PRO A 72 2.803 13.022 5.888 1.00 0.00 C ATOM 1062 O PRO A 72 2.625 13.337 7.048 1.00 0.00 O ATOM 1063 CB PRO A 72 5.174 13.568 5.139 1.00 0.00 C ATOM 1064 CG PRO A 72 5.953 13.172 3.875 1.00 0.00 C ATOM 1065 CD PRO A 72 5.111 12.140 3.107 1.00 0.00 C ATOM 0 HA PRO A 72 4.429 11.795 6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.663 14.519 4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.853 13.700 5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.144 14.047 3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.923 12.752 4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.631 12.578 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.715 11.304 2.755 1.00 0.00 H new ATOM 1073 N HIS A 73 1.846 13.161 5.002 1.00 0.00 N ATOM 1074 CA HIS A 73 0.517 13.715 5.425 1.00 0.00 C ATOM 1075 C HIS A 73 -0.428 12.557 5.776 1.00 0.00 C ATOM 1076 O HIS A 73 -0.836 11.789 4.927 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.066 14.592 4.296 1.00 0.00 C ATOM 1078 CG HIS A 73 -0.732 13.754 3.234 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.073 13.408 3.299 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.262 13.204 2.068 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.359 12.683 2.201 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.290 12.529 1.418 1.00 0.00 N ATOM 0 H HIS A 73 1.924 12.918 4.014 1.00 0.00 H new ATOM 0 HA HIS A 73 0.638 14.341 6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.789 15.293 4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.730 15.185 3.847 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -2.724 13.657 4.043 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.753 13.283 1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.335 12.276 1.981 1.00 0.00 H new ATOM 1090 N LYS A 74 -0.764 12.420 7.032 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.667 11.309 7.449 1.00 0.00 C ATOM 1092 C LYS A 74 -3.109 11.647 7.072 1.00 0.00 C ATOM 1093 O LYS A 74 -3.551 12.770 7.211 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.564 11.116 8.963 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.170 10.593 9.312 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.059 10.397 10.824 1.00 0.00 C ATOM 1097 CE LYS A 74 1.336 9.874 11.169 1.00 0.00 C ATOM 1098 NZ LYS A 74 2.345 10.937 10.896 1.00 0.00 N ATOM 0 H LYS A 74 -0.451 13.030 7.787 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.371 10.390 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.749 12.060 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.324 10.414 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.014 9.649 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.589 11.296 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.243 11.340 11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.818 9.694 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.377 9.579 12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.559 8.985 10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.228 10.715 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.531 10.985 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.981 11.854 11.225 1.00 0.00 H new ATOM 1112 N VAL A 75 -3.847 10.676 6.593 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.268 10.920 6.197 1.00 0.00 C ATOM 1114 C VAL A 75 -6.205 10.360 7.264 1.00 0.00 C ATOM 1115 O VAL A 75 -5.997 9.285 7.789 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.553 10.226 4.866 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.019 10.445 4.484 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.650 10.819 3.781 1.00 0.00 C ATOM 0 H VAL A 75 -3.523 9.718 6.459 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.432 11.993 6.096 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.356 9.158 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.225 9.951 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.663 10.027 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.214 11.513 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.851 10.325 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.849 11.886 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.606 10.668 4.054 1.00 0.00 H new ATOM 1128 N SER A 76 -7.242 11.085 7.585 1.00 0.00 N ATOM 1129 CA SER A 76 -8.208 10.606 8.613 1.00 0.00 C ATOM 1130 C SER A 76 -9.347 9.865 7.910 1.00 0.00 C ATOM 1131 O SER A 76 -9.594 10.061 6.737 1.00 0.00 O ATOM 1132 CB SER A 76 -8.775 11.807 9.370 1.00 0.00 C ATOM 1133 OG SER A 76 -7.745 12.401 10.150 1.00 0.00 O ATOM 0 H SER A 76 -7.462 11.993 7.177 1.00 0.00 H new ATOM 0 HA SER A 76 -7.707 9.938 9.314 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.181 12.535 8.668 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.597 11.491 10.012 1.00 0.00 H new ATOM 0 HG SER A 76 -8.106 13.172 10.635 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.038 9.011 8.611 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.155 8.260 7.973 1.00 0.00 C ATOM 1141 C ALA A 77 -12.230 9.243 7.504 1.00 0.00 C ATOM 1142 O ALA A 77 -13.185 8.868 6.853 1.00 0.00 O ATOM 1143 CB ALA A 77 -11.757 7.283 8.985 1.00 0.00 C ATOM 0 H ALA A 77 -9.878 8.800 9.596 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.776 7.704 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.574 6.733 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.990 6.582 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.136 7.837 9.844 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.082 10.502 7.833 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.094 11.523 7.413 1.00 0.00 C ATOM 1151 C GLY A 78 -12.578 12.290 6.193 1.00 0.00 C ATOM 1152 O GLY A 78 -13.333 12.651 5.312 1.00 0.00 O ATOM 0 H GLY A 78 -11.301 10.869 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.039 11.035 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.289 12.214 8.233 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.297 12.543 6.133 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.731 13.288 4.969 1.00 0.00 C ATOM 1158 C GLN A 79 -10.354 12.299 3.863 1.00 0.00 C ATOM 1159 O GLN A 79 -9.559 11.403 4.064 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.483 14.055 5.414 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.857 15.046 6.520 1.00 0.00 C ATOM 1162 CD GLN A 79 -10.702 16.177 5.929 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.434 16.646 4.840 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -11.719 16.637 6.605 1.00 0.00 N ATOM 0 H GLN A 79 -10.617 12.266 6.841 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.474 13.989 4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.726 13.359 5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.049 14.586 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.413 14.536 7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.956 15.453 6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.944 16.244 7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.289 17.390 6.220 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.926 12.461 2.695 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.622 11.544 1.548 1.00 0.00 C ATOM 1175 C PHE A 80 -10.043 12.366 0.393 1.00 0.00 C ATOM 1176 O PHE A 80 -10.460 13.482 0.157 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.910 10.860 1.102 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.352 9.889 2.171 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.768 8.617 2.248 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.341 10.262 3.089 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.177 7.720 3.243 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.748 9.364 4.083 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.167 8.093 4.159 1.00 0.00 C ATOM 0 H PHE A 80 -11.599 13.198 2.483 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.899 10.788 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.688 11.603 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.750 10.335 0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.004 8.329 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.790 11.242 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.728 6.740 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.511 9.652 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.483 7.400 4.925 1.00 0.00 H new ATOM 1193 N SER A 81 -9.064 11.837 -0.311 1.00 0.00 N ATOM 1194 CA SER A 81 -8.433 12.605 -1.438 1.00 0.00 C ATOM 1195 C SER A 81 -8.561 11.858 -2.779 1.00 0.00 C ATOM 1196 O SER A 81 -8.758 12.469 -3.811 1.00 0.00 O ATOM 1197 CB SER A 81 -6.950 12.800 -1.119 1.00 0.00 C ATOM 1198 OG SER A 81 -6.823 13.449 0.140 1.00 0.00 O ATOM 0 H SER A 81 -8.675 10.907 -0.153 1.00 0.00 H new ATOM 0 HA SER A 81 -8.947 13.561 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.441 11.837 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.474 13.395 -1.898 1.00 0.00 H new ATOM 0 HG SER A 81 -5.874 13.574 0.349 1.00 0.00 H new ATOM 1204 N SER A 82 -8.412 10.554 -2.787 1.00 0.00 N ATOM 1205 CA SER A 82 -8.481 9.786 -4.082 1.00 0.00 C ATOM 1206 C SER A 82 -9.846 9.112 -4.290 1.00 0.00 C ATOM 1207 O SER A 82 -10.104 8.552 -5.337 1.00 0.00 O ATOM 1208 CB SER A 82 -7.399 8.706 -4.070 1.00 0.00 C ATOM 1209 OG SER A 82 -7.210 8.212 -5.390 1.00 0.00 O ATOM 0 H SER A 82 -8.246 9.985 -1.957 1.00 0.00 H new ATOM 0 HA SER A 82 -8.331 10.494 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.465 9.116 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.688 7.893 -3.404 1.00 0.00 H new ATOM 0 HG SER A 82 -8.081 8.099 -5.825 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.711 9.130 -3.319 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.037 8.454 -3.494 1.00 0.00 C ATOM 1217 C LEU A 83 -13.036 9.403 -4.175 1.00 0.00 C ATOM 1218 O LEU A 83 -14.230 9.293 -3.980 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.579 8.046 -2.118 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.886 6.768 -1.630 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.425 7.067 -1.282 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.609 6.254 -0.383 1.00 0.00 C ATOM 0 H LEU A 83 -10.565 9.579 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.907 7.572 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.417 8.852 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.655 7.884 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.918 6.015 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.939 6.155 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.909 7.440 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.385 7.820 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.123 5.345 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.572 7.013 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.649 6.037 -0.629 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.571 10.328 -4.974 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.523 11.260 -5.652 1.00 0.00 C ATOM 1236 C HIS A 84 -14.227 10.519 -6.789 1.00 0.00 C ATOM 1237 O HIS A 84 -15.397 10.720 -7.049 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.768 12.455 -6.241 1.00 0.00 C ATOM 1239 CG HIS A 84 -11.929 13.104 -5.178 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.146 12.885 -3.830 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -10.861 13.963 -5.253 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.229 13.594 -3.152 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.420 14.272 -3.971 1.00 0.00 N ATOM 0 H HIS A 84 -11.585 10.478 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.249 11.615 -4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.135 12.126 -7.065 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.475 13.177 -6.650 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.429 14.341 -6.168 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.154 13.614 -2.075 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.646 14.884 -3.712 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.514 9.671 -7.474 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.120 8.916 -8.607 1.00 0.00 C ATOM 1253 C VAL A 85 -14.969 7.762 -8.068 1.00 0.00 C ATOM 1254 O VAL A 85 -14.697 7.216 -7.017 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.006 8.353 -9.493 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -13.588 7.933 -10.844 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.936 9.425 -9.708 1.00 0.00 C ATOM 0 H VAL A 85 -12.531 9.466 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.752 9.587 -9.189 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.559 7.486 -9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.794 7.532 -11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.350 7.168 -10.690 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.036 8.799 -11.332 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.142 9.025 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.383 10.293 -10.193 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.520 9.722 -8.745 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.995 7.378 -8.784 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.855 6.252 -8.314 1.00 0.00 C ATOM 1269 C ARG A 86 -16.307 4.935 -8.857 1.00 0.00 C ATOM 1270 O ARG A 86 -16.898 4.302 -9.709 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.288 6.459 -8.808 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.903 7.639 -8.058 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.351 7.843 -8.511 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.837 9.189 -8.055 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.768 9.554 -6.800 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -20.483 8.687 -5.868 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.049 10.785 -6.469 1.00 0.00 N ATOM 0 H ARG A 86 -16.273 7.795 -9.672 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.853 6.223 -7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.293 6.650 -9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.878 5.558 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.871 7.456 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.323 8.543 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.417 7.770 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.985 7.058 -8.100 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.230 9.834 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.311 7.712 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.432 8.984 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.321 11.457 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.997 11.075 -5.493 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.176 4.520 -8.356 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.564 3.245 -8.819 1.00 0.00 C ATOM 1293 C ASP A 87 -15.192 2.075 -8.062 1.00 0.00 C ATOM 1294 O ASP A 87 -15.952 2.256 -7.132 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.058 3.270 -8.553 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.390 4.274 -9.496 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.016 4.641 -10.477 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.264 4.655 -9.222 1.00 0.00 O ATOM 0 H ASP A 87 -14.646 5.015 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.741 3.128 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.866 3.545 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.635 2.277 -8.703 1.00 0.00 H new ATOM 1303 N THR A 88 -14.880 0.874 -8.462 1.00 0.00 N ATOM 1304 CA THR A 88 -15.448 -0.328 -7.785 1.00 0.00 C ATOM 1305 C THR A 88 -14.486 -0.794 -6.689 1.00 0.00 C ATOM 1306 O THR A 88 -13.294 -0.575 -6.764 1.00 0.00 O ATOM 1307 CB THR A 88 -15.616 -1.446 -8.817 1.00 0.00 C ATOM 1308 OG1 THR A 88 -16.336 -0.950 -9.937 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.380 -2.613 -8.193 1.00 0.00 C ATOM 0 H THR A 88 -14.249 0.671 -9.237 1.00 0.00 H new ATOM 0 HA THR A 88 -16.413 -0.082 -7.343 1.00 0.00 H new ATOM 0 HB THR A 88 -14.634 -1.792 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.443 -1.664 -10.600 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.498 -3.407 -8.931 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.825 -2.994 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.363 -2.272 -7.867 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.991 -1.440 -5.670 1.00 0.00 N ATOM 1318 CA LYS A 89 -14.095 -1.920 -4.576 1.00 0.00 C ATOM 1319 C LYS A 89 -13.513 -3.282 -4.967 1.00 0.00 C ATOM 1320 O LYS A 89 -14.132 -4.046 -5.680 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.889 -2.095 -3.279 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.444 -0.757 -2.788 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.224 -1.003 -1.492 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.799 0.310 -0.962 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.793 0.017 0.110 1.00 0.00 N ATOM 0 H LYS A 89 -15.981 -1.655 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.302 -1.188 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.709 -2.794 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.248 -2.530 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.632 -0.051 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.094 -0.316 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.030 -1.714 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.569 -1.449 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.999 0.938 -0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.273 0.865 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.186 0.909 0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.561 -0.567 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.327 -0.496 0.885 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.324 -3.590 -4.502 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.684 -4.906 -4.836 1.00 0.00 C ATOM 1341 C ILE A 90 -11.161 -5.563 -3.555 1.00 0.00 C ATOM 1342 O ILE A 90 -10.959 -4.911 -2.550 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.521 -4.673 -5.805 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.515 -3.697 -5.177 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -11.055 -4.089 -7.113 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.373 -3.396 -6.162 1.00 0.00 C ATOM 0 H ILE A 90 -11.766 -2.983 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.420 -5.561 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 90 -10.024 -5.621 -6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -10.020 -2.771 -4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.109 -4.123 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.227 -3.923 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.765 -4.785 -7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.554 -3.141 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.669 -2.703 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.857 -4.322 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.782 -2.949 -7.068 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.942 -6.852 -3.582 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.435 -7.552 -2.365 1.00 0.00 C ATOM 1360 C GLU A 91 -9.036 -7.040 -2.015 1.00 0.00 C ATOM 1361 O GLU A 91 -8.262 -6.673 -2.877 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.372 -9.060 -2.622 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.790 -9.632 -2.689 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.722 -11.127 -3.005 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.623 -11.626 -3.186 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.771 -11.749 -3.060 1.00 0.00 O ATOM 0 H GLU A 91 -11.092 -7.450 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.113 -7.352 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.845 -9.258 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.809 -9.551 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.303 -9.473 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.367 -9.113 -3.455 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.714 -7.003 -0.750 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.373 -6.504 -0.330 1.00 0.00 C ATOM 1375 C VAL A 92 -6.266 -7.369 -0.954 1.00 0.00 C ATOM 1376 O VAL A 92 -5.241 -6.870 -1.373 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.268 -6.577 1.198 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.833 -6.268 1.637 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.222 -5.560 1.825 1.00 0.00 C ATOM 0 H VAL A 92 -9.324 -7.298 0.013 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.252 -5.474 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.536 -7.581 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.765 -6.322 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.153 -6.996 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.559 -5.267 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.147 -5.612 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.956 -4.557 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.244 -5.784 1.521 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.456 -8.659 -1.001 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.406 -9.554 -1.576 1.00 0.00 C ATOM 1391 C ALA A 93 -4.970 -9.048 -2.956 1.00 0.00 C ATOM 1392 O ALA A 93 -3.794 -9.001 -3.268 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.967 -10.971 -1.709 1.00 0.00 C ATOM 0 H ALA A 93 -7.294 -9.135 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.541 -9.557 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.204 -11.627 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.262 -11.339 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.836 -10.958 -2.367 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.902 -8.670 -3.785 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.532 -8.175 -5.142 1.00 0.00 C ATOM 1401 C GLN A 94 -4.987 -6.752 -5.026 1.00 0.00 C ATOM 1402 O GLN A 94 -4.134 -6.339 -5.785 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.768 -8.182 -6.045 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.195 -9.626 -6.314 1.00 0.00 C ATOM 1405 CD GLN A 94 -6.159 -10.311 -7.206 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -5.917 -9.881 -8.317 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -5.532 -11.367 -6.765 1.00 0.00 N ATOM 0 H GLN A 94 -6.902 -8.682 -3.583 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.770 -8.823 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.581 -7.633 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.548 -7.676 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.294 -10.168 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.172 -9.643 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.735 -11.728 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.839 -11.831 -7.352 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.467 -6.002 -4.075 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.970 -4.609 -3.904 1.00 0.00 C ATOM 1418 C PHE A 95 -3.467 -4.631 -3.631 1.00 0.00 C ATOM 1419 O PHE A 95 -2.702 -3.918 -4.250 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.671 -3.961 -2.712 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.130 -2.568 -2.508 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.929 -2.380 -1.812 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.825 -1.464 -3.015 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.424 -1.090 -1.623 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.320 -0.173 -2.825 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.119 0.014 -2.130 1.00 0.00 C ATOM 0 H PHE A 95 -6.182 -6.293 -3.408 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.176 -4.043 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.746 -3.923 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.513 -4.559 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.393 -3.232 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.751 -1.608 -3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.498 -0.946 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.857 0.679 -3.215 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.729 1.011 -1.985 1.00 0.00 H new ATOM 1436 N VAL A 96 -3.039 -5.433 -2.695 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.588 -5.488 -2.369 1.00 0.00 C ATOM 1438 C VAL A 96 -0.808 -6.001 -3.577 1.00 0.00 C ATOM 1439 O VAL A 96 0.242 -5.490 -3.910 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.362 -6.428 -1.181 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.126 -6.448 -0.818 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.173 -5.936 0.018 1.00 0.00 C ATOM 0 H VAL A 96 -3.632 -6.052 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.241 -4.487 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.682 -7.435 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.285 -7.117 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.704 -6.799 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.449 -5.442 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.013 -6.604 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.853 -4.929 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.232 -5.924 -0.239 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.302 -7.015 -4.232 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.566 -7.556 -5.407 1.00 0.00 C ATOM 1454 C LYS A 97 -0.448 -6.484 -6.496 1.00 0.00 C ATOM 1455 O LYS A 97 0.611 -6.261 -7.041 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.301 -8.779 -5.952 1.00 0.00 C ATOM 1457 CG LYS A 97 -1.170 -9.925 -4.947 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.901 -11.159 -5.476 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.775 -12.307 -4.470 1.00 0.00 C ATOM 1460 NZ LYS A 97 -0.387 -12.356 -3.927 1.00 0.00 N ATOM 0 H LYS A 97 -2.177 -7.489 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 97 0.437 -7.849 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.352 -8.543 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.882 -9.072 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.118 -10.157 -4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.587 -9.628 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.952 -10.926 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.482 -11.457 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.488 -12.170 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.020 -13.253 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.215 -13.287 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.293 -12.201 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.269 -11.615 -3.207 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.513 -5.805 -6.818 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.412 -4.755 -7.871 1.00 0.00 C ATOM 1476 C ASP A 98 -0.399 -3.699 -7.429 1.00 0.00 C ATOM 1477 O ASP A 98 0.389 -3.209 -8.213 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.778 -4.096 -8.077 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.705 -5.055 -8.828 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.203 -6.005 -9.406 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.902 -4.822 -8.814 1.00 0.00 O ATOM 0 H ASP A 98 -2.437 -5.928 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.088 -5.209 -8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.215 -3.833 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.664 -3.169 -8.640 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.413 -3.352 -6.173 1.00 0.00 N ATOM 1487 CA LEU A 99 0.546 -2.334 -5.663 1.00 0.00 C ATOM 1488 C LEU A 99 1.977 -2.878 -5.794 1.00 0.00 C ATOM 1489 O LEU A 99 2.902 -2.157 -6.108 1.00 0.00 O ATOM 1490 CB LEU A 99 0.222 -2.028 -4.195 1.00 0.00 C ATOM 1491 CG LEU A 99 1.184 -0.966 -3.644 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.043 0.344 -4.443 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.849 -0.709 -2.171 1.00 0.00 C ATOM 0 H LEU A 99 -1.051 -3.732 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 99 0.463 -1.415 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.806 -1.676 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.298 -2.939 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 99 2.210 -1.323 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.730 1.090 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.279 0.158 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.020 0.712 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.527 0.044 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.178 -0.354 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.960 -1.634 -1.606 1.00 0.00 H new ATOM 1505 N LEU A 100 2.158 -4.149 -5.541 1.00 0.00 N ATOM 1506 CA LEU A 100 3.520 -4.762 -5.629 1.00 0.00 C ATOM 1507 C LEU A 100 4.130 -4.525 -7.016 1.00 0.00 C ATOM 1508 O LEU A 100 5.300 -4.209 -7.141 1.00 0.00 O ATOM 1509 CB LEU A 100 3.399 -6.273 -5.371 1.00 0.00 C ATOM 1510 CG LEU A 100 4.736 -6.977 -5.637 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.846 -6.326 -4.807 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.607 -8.453 -5.250 1.00 0.00 C ATOM 0 H LEU A 100 1.415 -4.795 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 100 4.170 -4.302 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.089 -6.447 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.626 -6.696 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 100 4.988 -6.890 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.791 -6.832 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.935 -5.274 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.603 -6.407 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.553 -8.962 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.354 -8.531 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.822 -8.918 -5.846 1.00 0.00 H new ATOM 1524 N LEU A 101 3.363 -4.688 -8.058 1.00 0.00 N ATOM 1525 CA LEU A 101 3.921 -4.488 -9.430 1.00 0.00 C ATOM 1526 C LEU A 101 4.438 -3.051 -9.574 1.00 0.00 C ATOM 1527 O LEU A 101 5.518 -2.822 -10.082 1.00 0.00 O ATOM 1528 CB LEU A 101 2.817 -4.747 -10.480 1.00 0.00 C ATOM 1529 CG LEU A 101 2.630 -6.258 -10.767 1.00 0.00 C ATOM 1530 CD1 LEU A 101 3.694 -6.751 -11.752 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.721 -7.084 -9.478 1.00 0.00 C ATOM 0 H LEU A 101 2.378 -4.950 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 101 4.744 -5.185 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.876 -4.326 -10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.070 -4.231 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 101 1.638 -6.388 -11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.548 -7.814 -11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.607 -6.199 -12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.685 -6.591 -11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.586 -8.140 -9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.699 -6.936 -9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.943 -6.764 -8.785 1.00 0.00 H new ATOM 1543 N HIS A 102 3.680 -2.086 -9.142 1.00 0.00 N ATOM 1544 CA HIS A 102 4.134 -0.670 -9.266 1.00 0.00 C ATOM 1545 C HIS A 102 5.309 -0.383 -8.329 1.00 0.00 C ATOM 1546 O HIS A 102 6.221 0.330 -8.682 1.00 0.00 O ATOM 1547 CB HIS A 102 2.972 0.276 -8.942 1.00 0.00 C ATOM 1548 CG HIS A 102 2.048 0.346 -10.123 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.222 1.277 -11.133 1.00 0.00 N ATOM 1550 CD2 HIS A 102 0.960 -0.402 -10.483 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.263 1.066 -12.048 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.463 0.052 -11.702 1.00 0.00 N ATOM 0 H HIS A 102 2.766 -2.213 -8.708 1.00 0.00 H new ATOM 0 HA HIS A 102 4.467 -0.507 -10.291 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.433 -0.079 -8.064 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.352 1.269 -8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.549 -1.220 -9.909 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.151 1.645 -12.953 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.338 -0.311 -12.219 1.00 0.00 H new ATOM 1560 N LEU A 103 5.297 -0.893 -7.133 1.00 0.00 N ATOM 1561 CA LEU A 103 6.423 -0.578 -6.208 1.00 0.00 C ATOM 1562 C LEU A 103 7.764 -0.949 -6.847 1.00 0.00 C ATOM 1563 O LEU A 103 8.647 -0.125 -6.957 1.00 0.00 O ATOM 1564 CB LEU A 103 6.254 -1.354 -4.899 1.00 0.00 C ATOM 1565 CG LEU A 103 5.066 -0.789 -4.107 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.755 -1.723 -2.930 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.395 0.626 -3.578 1.00 0.00 C ATOM 0 H LEU A 103 4.572 -1.504 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 103 6.412 0.493 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.092 -2.411 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.165 -1.284 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 103 4.199 -0.721 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.912 -1.327 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.504 -2.714 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.628 -1.793 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.543 1.013 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.266 0.577 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.609 1.288 -4.417 1.00 0.00 H new ATOM 1579 N LYS A 104 7.933 -2.169 -7.268 1.00 0.00 N ATOM 1580 CA LYS A 104 9.233 -2.559 -7.891 1.00 0.00 C ATOM 1581 C LYS A 104 9.424 -1.848 -9.238 1.00 0.00 C ATOM 1582 O LYS A 104 10.527 -1.741 -9.738 1.00 0.00 O ATOM 1583 CB LYS A 104 9.284 -4.078 -8.072 1.00 0.00 C ATOM 1584 CG LYS A 104 8.306 -4.514 -9.160 1.00 0.00 C ATOM 1585 CD LYS A 104 8.194 -6.044 -9.147 1.00 0.00 C ATOM 1586 CE LYS A 104 7.418 -6.528 -10.379 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.368 -6.778 -11.498 1.00 0.00 N ATOM 0 H LYS A 104 7.235 -2.911 -7.210 1.00 0.00 H new ATOM 0 HA LYS A 104 10.045 -2.253 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.295 -4.386 -8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.037 -4.572 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.328 -4.063 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.650 -4.170 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.189 -6.489 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.689 -6.371 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.871 -7.440 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.681 -5.781 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.842 -7.106 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.871 -5.898 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.055 -7.505 -11.214 1.00 0.00 H new ATOM 1601 N LYS A 105 8.366 -1.372 -9.838 1.00 0.00 N ATOM 1602 CA LYS A 105 8.503 -0.684 -11.158 1.00 0.00 C ATOM 1603 C LYS A 105 9.253 0.647 -10.999 1.00 0.00 C ATOM 1604 O LYS A 105 10.101 0.988 -11.799 1.00 0.00 O ATOM 1605 CB LYS A 105 7.108 -0.419 -11.726 1.00 0.00 C ATOM 1606 CG LYS A 105 7.229 0.114 -13.156 1.00 0.00 C ATOM 1607 CD LYS A 105 5.834 0.428 -13.713 1.00 0.00 C ATOM 1608 CE LYS A 105 5.069 -0.868 -14.009 1.00 0.00 C ATOM 1609 NZ LYS A 105 3.954 -0.572 -14.951 1.00 0.00 N ATOM 0 H LYS A 105 7.415 -1.429 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 105 9.071 -1.322 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.520 -1.337 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.581 0.302 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.846 1.012 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.726 -0.622 -13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.277 1.030 -12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.924 1.020 -14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.740 -1.610 -14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.678 -1.293 -13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.431 -1.447 -15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.311 0.123 -14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.340 -0.185 -15.835 1.00 0.00 H new ATOM 1623 N LEU A 106 8.952 1.400 -9.976 1.00 0.00 N ATOM 1624 CA LEU A 106 9.654 2.704 -9.772 1.00 0.00 C ATOM 1625 C LEU A 106 11.147 2.442 -9.526 1.00 0.00 C ATOM 1626 O LEU A 106 11.987 3.271 -9.813 1.00 0.00 O ATOM 1627 CB LEU A 106 9.042 3.449 -8.565 1.00 0.00 C ATOM 1628 CG LEU A 106 7.743 4.207 -8.951 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.082 5.556 -9.618 1.00 0.00 C ATOM 1630 CD2 LEU A 106 6.872 3.363 -9.898 1.00 0.00 C ATOM 0 H LEU A 106 8.251 1.171 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 106 9.536 3.323 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.824 2.735 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.770 4.156 -8.167 1.00 0.00 H new ATOM 0 HG LEU A 106 7.181 4.393 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.160 6.073 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.657 6.170 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.669 5.379 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.969 3.917 -10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.431 3.143 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.598 2.430 -9.406 1.00 0.00 H new ATOM 1642 N PHE A 107 11.481 1.298 -8.992 1.00 0.00 N ATOM 1643 CA PHE A 107 12.915 0.989 -8.718 1.00 0.00 C ATOM 1644 C PHE A 107 13.716 1.023 -10.023 1.00 0.00 C ATOM 1645 O PHE A 107 14.845 1.473 -10.058 1.00 0.00 O ATOM 1646 CB PHE A 107 13.041 -0.406 -8.103 1.00 0.00 C ATOM 1647 CG PHE A 107 14.490 -0.645 -7.754 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.044 -0.012 -6.636 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.283 -1.483 -8.549 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.388 -0.214 -6.312 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.629 -1.688 -8.222 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.182 -1.052 -7.103 1.00 0.00 C ATOM 0 H PHE A 107 10.823 0.563 -8.733 1.00 0.00 H new ATOM 0 HA PHE A 107 13.304 1.735 -8.025 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.418 -0.485 -7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.690 -1.163 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.432 0.633 -6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.856 -1.970 -9.413 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.815 0.277 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.241 -2.336 -8.832 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.220 -1.208 -6.851 1.00 0.00 H new ATOM 1662 N ARG A 108 13.150 0.532 -11.089 1.00 0.00 N ATOM 1663 CA ARG A 108 13.880 0.512 -12.390 1.00 0.00 C ATOM 1664 C ARG A 108 14.246 1.941 -12.807 1.00 0.00 C ATOM 1665 O ARG A 108 15.319 2.187 -13.321 1.00 0.00 O ATOM 1666 CB ARG A 108 12.969 -0.098 -13.461 1.00 0.00 C ATOM 1667 CG ARG A 108 12.627 -1.554 -13.110 1.00 0.00 C ATOM 1668 CD ARG A 108 13.780 -2.489 -13.497 1.00 0.00 C ATOM 1669 NE ARG A 108 13.356 -3.904 -13.298 1.00 0.00 N ATOM 1670 CZ ARG A 108 14.012 -4.870 -13.881 1.00 0.00 C ATOM 1671 NH1 ARG A 108 15.014 -4.596 -14.671 1.00 0.00 N ATOM 1672 NH2 ARG A 108 13.660 -6.111 -13.681 1.00 0.00 N ATOM 0 H ARG A 108 12.208 0.141 -11.117 1.00 0.00 H new ATOM 0 HA ARG A 108 14.790 -0.078 -12.284 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.053 0.487 -13.544 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.462 -0.058 -14.432 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.426 -1.639 -12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.718 -1.855 -13.630 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.063 -2.325 -14.537 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.659 -2.272 -12.890 1.00 0.00 H new ATOM 0 HE ARG A 108 12.553 -4.117 -12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.285 -3.626 -14.833 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.526 -5.352 -15.126 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.872 -6.325 -13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.172 -6.866 -14.136 1.00 0.00 H new ATOM 1686 N GLU A 109 13.365 2.884 -12.603 1.00 0.00 N ATOM 1687 CA GLU A 109 13.672 4.291 -13.005 1.00 0.00 C ATOM 1688 C GLU A 109 14.399 5.015 -11.867 1.00 0.00 C ATOM 1689 O GLU A 109 14.950 6.081 -12.054 1.00 0.00 O ATOM 1690 CB GLU A 109 12.365 5.024 -13.322 1.00 0.00 C ATOM 1691 CG GLU A 109 11.700 4.379 -14.540 1.00 0.00 C ATOM 1692 CD GLU A 109 12.532 4.670 -15.790 1.00 0.00 C ATOM 1693 OE1 GLU A 109 13.086 5.754 -15.869 1.00 0.00 O ATOM 1694 OE2 GLU A 109 12.602 3.804 -16.646 1.00 0.00 O ATOM 0 H GLU A 109 12.449 2.743 -12.177 1.00 0.00 H new ATOM 0 HA GLU A 109 14.312 4.280 -13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.695 4.982 -12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.565 6.077 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.611 3.303 -14.392 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.689 4.768 -14.664 1.00 0.00 H new ATOM 1701 N GLY A 110 14.412 4.449 -10.690 1.00 0.00 N ATOM 1702 CA GLY A 110 15.108 5.114 -9.557 1.00 0.00 C ATOM 1703 C GLY A 110 14.316 6.351 -9.129 1.00 0.00 C ATOM 1704 O GLY A 110 14.746 7.110 -8.284 1.00 0.00 O ATOM 0 H GLY A 110 13.971 3.557 -10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.205 4.423 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.117 5.399 -9.853 1.00 0.00 H new ATOM 1708 N ARG A 111 13.150 6.553 -9.691 1.00 0.00 N ATOM 1709 CA ARG A 111 12.327 7.734 -9.295 1.00 0.00 C ATOM 1710 C ARG A 111 11.397 7.289 -8.173 1.00 0.00 C ATOM 1711 O ARG A 111 10.413 6.616 -8.398 1.00 0.00 O ATOM 1712 CB ARG A 111 11.486 8.223 -10.478 1.00 0.00 C ATOM 1713 CG ARG A 111 12.398 8.670 -11.623 1.00 0.00 C ATOM 1714 CD ARG A 111 11.536 9.230 -12.756 1.00 0.00 C ATOM 1715 NE ARG A 111 12.401 9.645 -13.895 1.00 0.00 N ATOM 1716 CZ ARG A 111 11.870 9.851 -15.068 1.00 0.00 C ATOM 1717 NH1 ARG A 111 10.590 9.665 -15.244 1.00 0.00 N ATOM 1718 NH2 ARG A 111 12.617 10.237 -16.066 1.00 0.00 N ATOM 0 H ARG A 111 12.735 5.953 -10.404 1.00 0.00 H new ATOM 0 HA ARG A 111 12.976 8.549 -8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.826 7.426 -10.819 1.00 0.00 H new ATOM 0 HB3 ARG A 111 10.850 9.051 -10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.098 9.428 -11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 111 12.992 7.829 -11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.821 8.477 -13.087 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.958 10.082 -12.398 1.00 0.00 H new ATOM 0 HE ARG A 111 13.404 9.768 -13.758 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.007 9.359 -14.465 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.173 9.826 -16.161 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.618 10.378 -15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.200 10.398 -16.983 1.00 0.00 H new ATOM 1732 N PHE A 112 11.724 7.628 -6.960 1.00 0.00 N ATOM 1733 CA PHE A 112 10.888 7.197 -5.804 1.00 0.00 C ATOM 1734 C PHE A 112 9.851 8.267 -5.462 1.00 0.00 C ATOM 1735 O PHE A 112 10.180 9.392 -5.141 1.00 0.00 O ATOM 1736 CB PHE A 112 11.822 6.949 -4.624 1.00 0.00 C ATOM 1737 CG PHE A 112 12.858 5.950 -5.075 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.565 4.585 -5.045 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.101 6.390 -5.551 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.511 3.657 -5.490 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.049 5.458 -5.993 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.753 4.092 -5.963 1.00 0.00 C ATOM 0 H PHE A 112 12.540 8.189 -6.716 1.00 0.00 H new ATOM 0 HA PHE A 112 10.342 6.286 -6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.296 7.878 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.266 6.567 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.607 4.246 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.327 7.446 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.282 2.602 -5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.008 5.795 -6.357 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.483 3.373 -6.305 1.00 0.00 H new ATOM 1752 N ASN A 113 8.594 7.915 -5.531 1.00 0.00 N ATOM 1753 CA ASN A 113 7.516 8.894 -5.214 1.00 0.00 C ATOM 1754 C ASN A 113 6.259 8.139 -4.781 1.00 0.00 C ATOM 1755 CB ASN A 113 7.205 9.735 -6.453 1.00 0.00 C ATOM 1756 CG ASN A 113 8.415 10.605 -6.796 1.00 0.00 C ATOM 1757 OD1 ASN A 113 9.096 10.361 -7.772 1.00 0.00 O ATOM 1758 ND2 ASN A 113 8.712 11.619 -6.030 1.00 0.00 N ATOM 1759 OXT ASN A 113 5.418 7.890 -5.630 1.00 0.00 O ATOM 0 H ASN A 113 8.267 6.986 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 113 7.845 9.549 -4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.960 9.086 -7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.333 10.362 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.516 12.207 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.140 11.824 -5.211 1.00 0.00 H new