USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 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 80 TYR OH : rot -124:sc= 0.326 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.489 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 24 ASN : amide:sc= -0.617 X(o=-1.9,f=-1.6) USER MOD Set 3.2: A 27 GLN : amide:sc= -1.33 X(o=-1.9,f=-2.3) USER MOD Single : A 3 SER OG : rot 25:sc= 0.733 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -26:sc= -0.0794 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.24) USER MOD Single : A 14 MET CE :methyl 153:sc= -1.61 (180deg=-1.74) USER MOD Single : A 16 SER OG : rot -53:sc= 0.347 USER MOD Single : A 20 CYS SG : rot 87:sc= -0.441 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= 0.577 (180deg=-0.85) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 THR OG1 : rot -140:sc= -0.543 USER MOD Single : A 36 ASN : amide:sc= -1.39 K(o=-1.4,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0182 (180deg=-0.221) USER MOD Single : A 42 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.34) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 150:sc= -0.244 (180deg=-0.983) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 81:sc= 0.862 USER MOD Single : A 69 GLN : amide:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.0348 (180deg=-0.566) USER MOD Single : A 73 THR OG1 : rot 179:sc= -0.0161 USER MOD Single : A 78 CYS SG : rot -28:sc= -0.986 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.137 USER MOD Single : A 86 SER OG : rot -51:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.854 -2.368 -6.139 1.00 52.34 N ATOM 2 CA PRO A 1 -9.263 -2.930 -4.919 1.00 33.32 C ATOM 3 C PRO A 1 -8.734 -4.344 -5.130 1.00 25.01 C ATOM 4 O PRO A 1 -9.503 -5.278 -5.351 1.00 60.42 O ATOM 5 CB PRO A 1 -10.432 -2.937 -3.930 1.00 71.02 C ATOM 6 CG PRO A 1 -11.651 -2.996 -4.785 1.00 74.43 C ATOM 7 CD PRO A 1 -11.317 -2.232 -6.037 1.00 30.13 C ATOM 0 H2 PRO A 1 -9.624 -2.966 -6.933 1.00 52.34 H new ATOM 0 H3 PRO A 1 -9.441 -1.454 -6.325 1.00 52.34 H new ATOM 0 HA PRO A 1 -8.403 -2.353 -4.579 1.00 33.32 H new ATOM 0 HB2 PRO A 1 -10.377 -3.794 -3.259 1.00 71.02 H new ATOM 0 HB3 PRO A 1 -10.429 -2.043 -3.307 1.00 71.02 H new ATOM 0 HG2 PRO A 1 -11.916 -4.028 -5.016 1.00 74.43 H new ATOM 0 HG3 PRO A 1 -12.507 -2.554 -4.275 1.00 74.43 H new ATOM 0 HD2 PRO A 1 -11.821 -2.649 -6.909 1.00 30.13 H new ATOM 0 HD3 PRO A 1 -11.619 -1.187 -5.963 1.00 30.13 H new ATOM 15 N GLY A 2 -7.415 -4.495 -5.059 1.00 34.43 N ATOM 16 CA GLY A 2 -6.807 -5.798 -5.244 1.00 52.43 C ATOM 17 C GLY A 2 -5.370 -5.706 -5.718 1.00 71.25 C ATOM 18 O GLY A 2 -4.925 -4.651 -6.171 1.00 34.30 O ATOM 0 H GLY A 2 -6.757 -3.737 -4.877 1.00 34.43 H new ATOM 0 HA2 GLY A 2 -6.842 -6.348 -4.304 1.00 52.43 H new ATOM 0 HA3 GLY A 2 -7.389 -6.368 -5.968 1.00 52.43 H new ATOM 22 N SER A 3 -4.640 -6.812 -5.612 1.00 72.21 N ATOM 23 CA SER A 3 -3.243 -6.849 -6.028 1.00 61.54 C ATOM 24 C SER A 3 -2.797 -8.282 -6.303 1.00 62.44 C ATOM 25 O SER A 3 -3.410 -9.236 -5.828 1.00 61.12 O ATOM 26 CB SER A 3 -2.352 -6.223 -4.954 1.00 31.31 C ATOM 27 OG SER A 3 -2.297 -4.814 -5.096 1.00 12.05 O ATOM 0 H SER A 3 -4.993 -7.694 -5.242 1.00 72.21 H new ATOM 0 HA SER A 3 -3.148 -6.274 -6.949 1.00 61.54 H new ATOM 0 HB2 SER A 3 -2.735 -6.478 -3.966 1.00 31.31 H new ATOM 0 HB3 SER A 3 -1.347 -6.638 -5.023 1.00 31.31 H new ATOM 0 HG SER A 3 -3.100 -4.501 -5.562 1.00 12.05 H new ATOM 33 N MET A 4 -1.724 -8.422 -7.075 1.00 71.22 N ATOM 34 CA MET A 4 -1.193 -9.739 -7.413 1.00 10.34 C ATOM 35 C MET A 4 -0.554 -10.397 -6.194 1.00 13.52 C ATOM 36 O MET A 4 -0.470 -11.622 -6.110 1.00 10.30 O ATOM 37 CB MET A 4 -0.168 -9.624 -8.542 1.00 21.22 C ATOM 38 CG MET A 4 -0.795 -9.467 -9.918 1.00 65.30 C ATOM 39 SD MET A 4 -1.121 -7.745 -10.341 1.00 72.13 S ATOM 40 CE MET A 4 -0.847 -7.773 -12.111 1.00 41.52 C ATOM 0 H MET A 4 -1.206 -7.641 -7.478 1.00 71.22 H new ATOM 0 HA MET A 4 -2.022 -10.363 -7.747 1.00 10.34 H new ATOM 0 HB2 MET A 4 0.480 -8.770 -8.347 1.00 21.22 H new ATOM 0 HB3 MET A 4 0.465 -10.512 -8.539 1.00 21.22 H new ATOM 0 HG2 MET A 4 -0.132 -9.902 -10.666 1.00 65.30 H new ATOM 0 HG3 MET A 4 -1.728 -10.029 -9.954 1.00 65.30 H new ATOM 0 HE1 MET A 4 -1.011 -6.776 -12.520 1.00 41.52 H new ATOM 0 HE2 MET A 4 0.177 -8.086 -12.316 1.00 41.52 H new ATOM 0 HE3 MET A 4 -1.540 -8.474 -12.575 1.00 41.52 H new ATOM 50 N VAL A 5 -0.102 -9.574 -5.252 1.00 50.34 N ATOM 51 CA VAL A 5 0.530 -10.076 -4.038 1.00 72.33 C ATOM 52 C VAL A 5 -0.489 -10.757 -3.129 1.00 44.51 C ATOM 53 O VAL A 5 -1.577 -10.230 -2.897 1.00 2.23 O ATOM 54 CB VAL A 5 1.223 -8.945 -3.256 1.00 11.11 C ATOM 55 CG1 VAL A 5 2.011 -9.509 -2.084 1.00 21.20 C ATOM 56 CG2 VAL A 5 2.127 -8.139 -4.177 1.00 11.22 C ATOM 0 H VAL A 5 -0.162 -8.557 -5.307 1.00 50.34 H new ATOM 0 HA VAL A 5 1.279 -10.804 -4.350 1.00 72.33 H new ATOM 0 HB VAL A 5 0.457 -8.279 -2.860 1.00 11.11 H new ATOM 0 HG11 VAL A 5 2.493 -8.694 -1.544 1.00 21.20 H new ATOM 0 HG12 VAL A 5 1.335 -10.039 -1.413 1.00 21.20 H new ATOM 0 HG13 VAL A 5 2.770 -10.198 -2.454 1.00 21.20 H new ATOM 0 HG21 VAL A 5 2.609 -7.344 -3.609 1.00 11.22 H new ATOM 0 HG22 VAL A 5 2.888 -8.793 -4.604 1.00 11.22 H new ATOM 0 HG23 VAL A 5 1.532 -7.702 -4.980 1.00 11.22 H new ATOM 66 N SER A 6 -0.128 -11.929 -2.617 1.00 10.42 N ATOM 67 CA SER A 6 -1.011 -12.683 -1.736 1.00 13.32 C ATOM 68 C SER A 6 -0.779 -12.301 -0.277 1.00 1.55 C ATOM 69 O SER A 6 0.267 -12.605 0.295 1.00 70.20 O ATOM 70 CB SER A 6 -0.791 -14.185 -1.923 1.00 31.11 C ATOM 71 OG SER A 6 -1.471 -14.661 -3.072 1.00 12.30 O ATOM 0 H SER A 6 0.770 -12.377 -2.797 1.00 10.42 H new ATOM 0 HA SER A 6 -2.040 -12.438 -1.998 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.275 -14.391 -2.016 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.143 -14.720 -1.041 1.00 31.11 H new ATOM 0 HG SER A 6 -2.237 -14.080 -3.263 1.00 12.30 H new ATOM 77 N GLU A 7 -1.762 -11.632 0.316 1.00 25.12 N ATOM 78 CA GLU A 7 -1.664 -11.208 1.708 1.00 23.40 C ATOM 79 C GLU A 7 -1.478 -12.408 2.631 1.00 11.43 C ATOM 80 O GLU A 7 -0.773 -12.327 3.636 1.00 4.20 O ATOM 81 CB GLU A 7 -2.915 -10.426 2.115 1.00 61.41 C ATOM 82 CG GLU A 7 -2.672 -9.430 3.236 1.00 52.15 C ATOM 83 CD GLU A 7 -3.956 -8.985 3.909 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.375 -9.643 4.884 1.00 63.30 O ATOM 85 OE2 GLU A 7 -4.542 -7.977 3.460 1.00 13.40 O ATOM 0 H GLU A 7 -2.634 -11.372 -0.145 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.792 -10.561 1.803 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.300 -9.894 1.245 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.688 -11.129 2.426 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -2.013 -9.879 3.979 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -2.154 -8.558 2.836 1.00 52.15 H new ATOM 92 N GLU A 8 -2.117 -13.520 2.282 1.00 62.33 N ATOM 93 CA GLU A 8 -2.023 -14.737 3.080 1.00 22.01 C ATOM 94 C GLU A 8 -0.580 -15.225 3.161 1.00 45.53 C ATOM 95 O GLU A 8 -0.060 -15.482 4.248 1.00 0.33 O ATOM 96 CB GLU A 8 -2.911 -15.832 2.487 1.00 5.22 C ATOM 97 CG GLU A 8 -3.014 -17.073 3.359 1.00 4.01 C ATOM 98 CD GLU A 8 -3.252 -18.335 2.553 1.00 65.32 C ATOM 99 OE1 GLU A 8 -2.699 -18.439 1.437 1.00 10.50 O ATOM 100 OE2 GLU A 8 -3.991 -19.217 3.037 1.00 20.33 O ATOM 0 H GLU A 8 -2.705 -13.603 1.453 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.367 -14.507 4.088 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.911 -15.429 2.324 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.519 -16.116 1.510 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.096 -17.183 3.937 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.827 -16.944 4.073 1.00 4.01 H new ATOM 107 N ILE A 9 0.062 -15.349 2.004 1.00 60.43 N ATOM 108 CA ILE A 9 1.444 -15.806 1.943 1.00 52.14 C ATOM 109 C ILE A 9 2.401 -14.727 2.440 1.00 13.42 C ATOM 110 O ILE A 9 3.444 -15.027 3.021 1.00 51.22 O ATOM 111 CB ILE A 9 1.841 -16.209 0.511 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.744 -17.065 -0.125 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.166 -16.958 0.520 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.091 -17.562 -1.510 1.00 72.45 C ATOM 0 H ILE A 9 -0.353 -15.139 1.096 1.00 60.43 H new ATOM 0 HA ILE A 9 1.517 -16.680 2.590 1.00 52.14 H new ATOM 0 HB ILE A 9 1.961 -15.304 -0.085 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.543 -17.921 0.519 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.176 -16.482 -0.177 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.434 -17.236 -0.499 1.00 50.42 H new ATOM 0 HG22 ILE A 9 3.943 -16.318 0.937 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.071 -17.857 1.129 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.268 -18.161 -1.898 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.263 -16.711 -2.169 1.00 72.45 H new ATOM 0 HD13 ILE A 9 1.993 -18.172 -1.462 1.00 72.45 H new ATOM 126 N LYS A 10 2.039 -13.471 2.207 1.00 24.45 N ATOM 127 CA LYS A 10 2.863 -12.345 2.633 1.00 53.51 C ATOM 128 C LYS A 10 3.217 -12.458 4.113 1.00 24.33 C ATOM 129 O LYS A 10 4.343 -12.168 4.515 1.00 33.51 O ATOM 130 CB LYS A 10 2.133 -11.025 2.372 1.00 74.03 C ATOM 131 CG LYS A 10 3.063 -9.830 2.257 1.00 54.41 C ATOM 132 CD LYS A 10 3.454 -9.294 3.624 1.00 65.13 C ATOM 133 CE LYS A 10 3.967 -7.865 3.538 1.00 45.24 C ATOM 134 NZ LYS A 10 2.854 -6.877 3.488 1.00 3.11 N ATOM 0 H LYS A 10 1.180 -13.206 1.725 1.00 24.45 H new ATOM 0 HA LYS A 10 3.786 -12.364 2.054 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.554 -11.115 1.453 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.423 -10.846 3.179 1.00 74.03 H new ATOM 0 HG2 LYS A 10 3.960 -10.117 1.708 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.576 -9.042 1.682 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.593 -9.333 4.291 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.223 -9.932 4.059 1.00 65.13 H new ATOM 0 HE2 LYS A 10 4.601 -7.654 4.399 1.00 45.24 H new ATOM 0 HE3 LYS A 10 4.590 -7.756 2.650 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 3.246 -5.915 3.430 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 2.263 -7.061 2.652 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.274 -6.963 4.347 1.00 3.11 H new ATOM 148 N ALA A 11 2.248 -12.883 4.917 1.00 50.21 N ATOM 149 CA ALA A 11 2.458 -13.039 6.350 1.00 34.33 C ATOM 150 C ALA A 11 3.392 -14.208 6.645 1.00 4.45 C ATOM 151 O ALA A 11 4.141 -14.184 7.622 1.00 53.20 O ATOM 152 CB ALA A 11 1.128 -13.232 7.062 1.00 43.42 C ATOM 0 H ALA A 11 1.309 -13.125 4.599 1.00 50.21 H new ATOM 0 HA ALA A 11 2.928 -12.129 6.723 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.301 -13.347 8.132 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.493 -12.363 6.889 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.635 -14.124 6.676 1.00 43.42 H new ATOM 158 N GLN A 12 3.342 -15.228 5.795 1.00 24.33 N ATOM 159 CA GLN A 12 4.182 -16.408 5.966 1.00 2.14 C ATOM 160 C GLN A 12 5.623 -16.113 5.559 1.00 42.14 C ATOM 161 O GLN A 12 6.564 -16.476 6.264 1.00 75.20 O ATOM 162 CB GLN A 12 3.635 -17.573 5.141 1.00 54.01 C ATOM 163 CG GLN A 12 2.461 -18.283 5.796 1.00 32.44 C ATOM 164 CD GLN A 12 2.879 -19.527 6.554 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.719 -20.648 6.069 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.420 -19.337 7.752 1.00 62.23 N ATOM 0 H GLN A 12 2.729 -15.261 4.981 1.00 24.33 H new ATOM 0 HA GLN A 12 4.170 -16.682 7.021 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.325 -17.202 4.164 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.435 -18.293 4.970 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.962 -17.596 6.480 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.734 -18.556 5.031 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.534 -18.391 8.116 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.721 -20.137 8.308 1.00 62.23 H new ATOM 175 N VAL A 13 5.786 -15.452 4.417 1.00 55.30 N ATOM 176 CA VAL A 13 7.111 -15.107 3.916 1.00 61.15 C ATOM 177 C VAL A 13 7.801 -14.103 4.833 1.00 35.34 C ATOM 178 O VAL A 13 8.994 -14.221 5.112 1.00 43.12 O ATOM 179 CB VAL A 13 7.039 -14.522 2.493 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.562 -15.575 1.505 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.129 -13.302 2.465 1.00 71.30 C ATOM 0 H VAL A 13 5.017 -15.145 3.822 1.00 55.30 H new ATOM 0 HA VAL A 13 7.690 -16.030 3.892 1.00 61.15 H new ATOM 0 HB VAL A 13 8.040 -14.208 2.197 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.518 -15.143 0.505 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.256 -16.416 1.506 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.570 -15.923 1.794 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.089 -12.901 1.452 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.126 -13.589 2.781 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.519 -12.541 3.141 1.00 71.30 H new ATOM 191 N MET A 14 7.042 -13.116 5.298 1.00 13.51 N ATOM 192 CA MET A 14 7.580 -12.092 6.186 1.00 42.15 C ATOM 193 C MET A 14 7.870 -12.668 7.568 1.00 13.12 C ATOM 194 O MET A 14 8.856 -12.304 8.208 1.00 73.12 O ATOM 195 CB MET A 14 6.603 -10.922 6.301 1.00 42.43 C ATOM 196 CG MET A 14 5.331 -11.267 7.060 1.00 3.14 C ATOM 197 SD MET A 14 5.431 -10.852 8.811 1.00 42.00 S ATOM 198 CE MET A 14 3.911 -11.577 9.419 1.00 52.44 C ATOM 0 H MET A 14 6.053 -13.004 5.075 1.00 13.51 H new ATOM 0 HA MET A 14 8.516 -11.732 5.760 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.101 -10.091 6.801 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.338 -10.580 5.300 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.491 -10.736 6.613 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.128 -12.333 6.954 1.00 3.14 H new ATOM 0 HE1 MET A 14 4.028 -11.839 10.471 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.097 -10.860 9.312 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.681 -12.475 8.845 1.00 52.44 H new ATOM 208 N GLU A 15 7.004 -13.568 8.022 1.00 31.13 N ATOM 209 CA GLU A 15 7.167 -14.192 9.330 1.00 3.51 C ATOM 210 C GLU A 15 8.369 -15.132 9.338 1.00 40.41 C ATOM 211 O GLU A 15 9.072 -15.251 10.342 1.00 50.11 O ATOM 212 CB GLU A 15 5.901 -14.962 9.714 1.00 51.42 C ATOM 213 CG GLU A 15 5.994 -15.649 11.066 1.00 64.33 C ATOM 214 CD GLU A 15 4.635 -16.030 11.621 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.911 -16.793 10.948 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.296 -15.566 12.730 1.00 12.44 O ATOM 0 H GLU A 15 6.183 -13.881 7.504 1.00 31.13 H new ATOM 0 HA GLU A 15 7.340 -13.403 10.062 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.056 -14.274 9.723 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.695 -15.710 8.949 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.608 -16.544 10.973 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.498 -14.988 11.771 1.00 64.33 H new ATOM 223 N SER A 16 8.599 -15.800 8.211 1.00 34.34 N ATOM 224 CA SER A 16 9.712 -16.732 8.089 1.00 4.21 C ATOM 225 C SER A 16 11.035 -15.985 7.951 1.00 25.30 C ATOM 226 O SER A 16 12.039 -16.358 8.559 1.00 71.45 O ATOM 227 CB SER A 16 9.505 -17.652 6.884 1.00 21.44 C ATOM 228 OG SER A 16 9.890 -17.010 5.681 1.00 73.30 O ATOM 0 H SER A 16 8.028 -15.712 7.370 1.00 34.34 H new ATOM 0 HA SER A 16 9.749 -17.335 8.996 1.00 4.21 H new ATOM 0 HB2 SER A 16 10.086 -18.565 7.015 1.00 21.44 H new ATOM 0 HB3 SER A 16 8.457 -17.947 6.823 1.00 21.44 H new ATOM 0 HG SER A 16 9.434 -16.146 5.611 1.00 73.30 H new ATOM 234 N VAL A 17 11.028 -14.926 7.147 1.00 40.23 N ATOM 235 CA VAL A 17 12.226 -14.124 6.928 1.00 71.33 C ATOM 236 C VAL A 17 12.683 -13.457 8.221 1.00 73.43 C ATOM 237 O VAL A 17 13.839 -13.589 8.623 1.00 75.50 O ATOM 238 CB VAL A 17 11.988 -13.039 5.861 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.166 -12.080 5.803 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.741 -13.677 4.502 1.00 64.43 C ATOM 0 H VAL A 17 10.206 -14.604 6.637 1.00 40.23 H new ATOM 0 HA VAL A 17 13.003 -14.804 6.577 1.00 71.33 H new ATOM 0 HB VAL A 17 11.101 -12.469 6.137 1.00 54.13 H new ATOM 0 HG11 VAL A 17 12.980 -11.321 5.044 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.292 -11.600 6.773 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.072 -12.631 5.550 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.575 -12.897 3.759 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.609 -14.272 4.216 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.863 -14.320 4.556 1.00 64.43 H new ATOM 250 N ILE A 18 11.769 -12.742 8.867 1.00 20.20 N ATOM 251 CA ILE A 18 12.079 -12.056 10.116 1.00 4.21 C ATOM 252 C ILE A 18 12.793 -12.985 11.091 1.00 21.34 C ATOM 253 O ILE A 18 13.857 -12.656 11.613 1.00 62.42 O ATOM 254 CB ILE A 18 10.807 -11.505 10.786 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.186 -10.404 9.923 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.127 -10.978 12.177 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.710 -10.191 10.185 1.00 14.31 C ATOM 0 H ILE A 18 10.808 -12.622 8.547 1.00 20.20 H new ATOM 0 HA ILE A 18 12.736 -11.224 9.864 1.00 4.21 H new ATOM 0 HB ILE A 18 10.085 -12.316 10.883 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.717 -9.469 10.103 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.328 -10.654 8.872 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.218 -10.592 12.638 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.529 -11.786 12.789 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.864 -10.178 12.102 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.337 -9.397 9.539 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.167 -11.113 9.977 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.562 -9.910 11.228 1.00 14.31 H new ATOM 269 N GLY A 19 12.199 -14.150 11.332 1.00 20.44 N ATOM 270 CA GLY A 19 12.792 -15.111 12.243 1.00 33.42 C ATOM 271 C GLY A 19 13.995 -15.813 11.643 1.00 43.03 C ATOM 272 O GLY A 19 14.852 -16.319 12.369 1.00 24.14 O ATOM 0 H GLY A 19 11.317 -14.445 10.912 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.092 -14.602 13.159 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.044 -15.853 12.521 1.00 33.42 H new ATOM 276 N CYS A 20 14.057 -15.846 10.317 1.00 11.52 N ATOM 277 CA CYS A 20 15.162 -16.493 9.619 1.00 1.22 C ATOM 278 C CYS A 20 16.481 -15.788 9.916 1.00 65.11 C ATOM 279 O CYS A 20 17.467 -16.423 10.290 1.00 25.20 O ATOM 280 CB CYS A 20 14.903 -16.506 8.112 1.00 12.21 C ATOM 281 SG CYS A 20 14.347 -18.102 7.472 1.00 23.42 S ATOM 0 H CYS A 20 13.355 -15.432 9.703 1.00 11.52 H new ATOM 0 HA CYS A 20 15.233 -17.520 9.976 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.153 -15.751 7.877 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.818 -16.218 7.595 1.00 12.21 H new ATOM 0 HG CYS A 20 13.055 -18.188 7.584 1.00 23.42 H new ATOM 287 N LEU A 21 16.492 -14.471 9.744 1.00 53.41 N ATOM 288 CA LEU A 21 17.692 -13.677 9.992 1.00 51.22 C ATOM 289 C LEU A 21 17.564 -12.890 11.292 1.00 15.30 C ATOM 290 O LEU A 21 18.422 -12.070 11.621 1.00 53.22 O ATOM 291 CB LEU A 21 17.944 -12.721 8.825 1.00 25.12 C ATOM 292 CG LEU A 21 16.724 -12.363 7.975 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.912 -11.004 7.318 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.473 -13.435 6.925 1.00 52.43 C ATOM 0 H LEU A 21 15.685 -13.930 9.434 1.00 53.41 H new ATOM 0 HA LEU A 21 18.538 -14.359 10.084 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.368 -11.799 9.222 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.698 -13.165 8.174 1.00 25.12 H new ATOM 0 HG LEU A 21 15.852 -12.311 8.628 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.034 -10.766 6.717 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.043 -10.243 8.087 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.794 -11.028 6.678 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.601 -13.164 6.329 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.344 -13.519 6.276 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.293 -14.391 7.417 1.00 52.43 H new ATOM 306 N LYS A 22 16.489 -13.145 12.030 1.00 1.40 N ATOM 307 CA LYS A 22 16.250 -12.462 13.296 1.00 75.54 C ATOM 308 C LYS A 22 16.390 -10.953 13.136 1.00 52.33 C ATOM 309 O LYS A 22 17.472 -10.395 13.320 1.00 32.45 O ATOM 310 CB LYS A 22 17.227 -12.965 14.362 1.00 53.14 C ATOM 311 CG LYS A 22 17.284 -14.479 14.469 1.00 11.31 C ATOM 312 CD LYS A 22 17.932 -14.923 15.770 1.00 24.50 C ATOM 313 CE LYS A 22 19.413 -14.575 15.802 1.00 14.00 C ATOM 314 NZ LYS A 22 20.180 -15.499 16.682 1.00 54.14 N ATOM 0 H LYS A 22 15.769 -13.820 11.773 1.00 1.40 H new ATOM 0 HA LYS A 22 15.230 -12.682 13.612 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.224 -12.587 14.136 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.941 -12.551 15.329 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.275 -14.887 14.406 1.00 11.31 H new ATOM 0 HG3 LYS A 22 17.844 -14.883 13.626 1.00 11.31 H new ATOM 0 HD2 LYS A 22 17.427 -14.447 16.610 1.00 24.50 H new ATOM 0 HD3 LYS A 22 17.807 -15.999 15.891 1.00 24.50 H new ATOM 0 HE2 LYS A 22 19.818 -14.617 14.791 1.00 14.00 H new ATOM 0 HE3 LYS A 22 19.538 -13.551 16.154 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 21.184 -15.229 16.677 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 19.810 -15.441 17.652 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 20.082 -16.473 16.332 1.00 54.14 H new ATOM 328 N LEU A 23 15.287 -10.294 12.792 1.00 63.12 N ATOM 329 CA LEU A 23 15.286 -8.848 12.608 1.00 10.22 C ATOM 330 C LEU A 23 14.892 -8.135 13.898 1.00 71.20 C ATOM 331 O LEU A 23 14.203 -8.701 14.745 1.00 42.11 O ATOM 332 CB LEU A 23 14.326 -8.458 11.483 1.00 24.31 C ATOM 333 CG LEU A 23 14.850 -8.648 10.059 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.136 -7.862 9.853 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.070 -10.124 9.763 1.00 71.34 C ATOM 0 H LEU A 23 14.383 -10.739 12.635 1.00 63.12 H new ATOM 0 HA LEU A 23 16.296 -8.540 12.338 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.412 -9.042 11.594 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.053 -7.411 11.612 1.00 24.31 H new ATOM 0 HG LEU A 23 14.102 -8.267 9.364 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.493 -8.010 8.834 1.00 62.24 H new ATOM 0 HD12 LEU A 23 15.945 -6.802 10.021 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.892 -8.210 10.557 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.443 -10.239 8.745 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.798 -10.531 10.465 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.127 -10.660 9.867 1.00 71.34 H new ATOM 347 N ASN A 24 15.333 -6.889 14.038 1.00 45.20 N ATOM 348 CA ASN A 24 15.025 -6.098 15.223 1.00 65.04 C ATOM 349 C ASN A 24 13.827 -5.187 14.974 1.00 22.23 C ATOM 350 O ASN A 24 13.142 -5.310 13.958 1.00 61.52 O ATOM 351 CB ASN A 24 16.238 -5.262 15.634 1.00 25.14 C ATOM 352 CG ASN A 24 17.525 -6.063 15.615 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.510 -7.287 15.757 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.648 -5.376 15.441 1.00 12.31 N ATOM 0 H ASN A 24 15.905 -6.406 13.345 1.00 45.20 H new ATOM 0 HA ASN A 24 14.775 -6.785 16.031 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.334 -4.410 14.961 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.077 -4.861 16.635 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.545 -5.861 15.421 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.614 -4.363 15.327 1.00 12.31 H new ATOM 361 N ASP A 25 13.581 -4.273 15.906 1.00 44.23 N ATOM 362 CA ASP A 25 12.466 -3.339 15.787 1.00 34.40 C ATOM 363 C ASP A 25 12.680 -2.386 14.615 1.00 23.34 C ATOM 364 O ASP A 25 11.798 -2.214 13.775 1.00 45.40 O ATOM 365 CB ASP A 25 12.298 -2.545 17.083 1.00 1.51 C ATOM 366 CG ASP A 25 13.619 -2.035 17.625 1.00 64.32 C ATOM 367 OD1 ASP A 25 14.415 -2.860 18.121 1.00 24.33 O ATOM 368 OD2 ASP A 25 13.856 -0.812 17.552 1.00 20.14 O ATOM 0 H ASP A 25 14.138 -4.158 16.753 1.00 44.23 H new ATOM 0 HA ASP A 25 11.559 -3.914 15.603 1.00 34.40 H new ATOM 0 HB2 ASP A 25 11.632 -1.701 16.905 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.820 -3.176 17.833 1.00 1.51 H new ATOM 373 N GLU A 26 13.857 -1.769 14.567 1.00 23.44 N ATOM 374 CA GLU A 26 14.184 -0.832 13.499 1.00 51.55 C ATOM 375 C GLU A 26 14.154 -1.524 12.139 1.00 41.22 C ATOM 376 O GLU A 26 13.655 -0.971 11.161 1.00 64.53 O ATOM 377 CB GLU A 26 15.563 -0.213 13.739 1.00 23.33 C ATOM 378 CG GLU A 26 15.535 0.994 14.662 1.00 11.13 C ATOM 379 CD GLU A 26 16.923 1.448 15.069 1.00 33.12 C ATOM 380 OE1 GLU A 26 17.585 2.132 14.259 1.00 53.41 O ATOM 381 OE2 GLU A 26 17.349 1.121 16.196 1.00 10.11 O ATOM 0 H GLU A 26 14.599 -1.901 15.255 1.00 23.44 H new ATOM 0 HA GLU A 26 13.433 -0.042 13.501 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.223 -0.970 14.164 1.00 23.33 H new ATOM 0 HB3 GLU A 26 15.991 0.082 12.781 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.019 1.815 14.165 1.00 11.13 H new ATOM 0 HG3 GLU A 26 14.960 0.751 15.555 1.00 11.13 H new ATOM 388 N GLN A 27 14.695 -2.738 12.088 1.00 43.14 N ATOM 389 CA GLN A 27 14.732 -3.505 10.848 1.00 70.43 C ATOM 390 C GLN A 27 13.327 -3.709 10.292 1.00 74.33 C ATOM 391 O GLN A 27 13.108 -3.625 9.084 1.00 70.11 O ATOM 392 CB GLN A 27 15.403 -4.859 11.083 1.00 60.33 C ATOM 393 CG GLN A 27 16.920 -4.806 11.020 1.00 35.01 C ATOM 394 CD GLN A 27 17.491 -3.595 11.732 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.449 -2.479 11.214 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.030 -3.810 12.927 1.00 31.11 N ATOM 0 H GLN A 27 15.113 -3.210 12.890 1.00 43.14 H new ATOM 0 HA GLN A 27 15.313 -2.941 10.118 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.101 -5.240 12.059 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.041 -5.568 10.338 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.330 -5.712 11.466 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.236 -4.792 9.977 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.043 -4.752 13.319 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.431 -3.033 13.453 1.00 31.11 H new ATOM 405 N LYS A 28 12.377 -3.978 11.182 1.00 33.40 N ATOM 406 CA LYS A 28 10.991 -4.194 10.781 1.00 0.31 C ATOM 407 C LYS A 28 10.335 -2.881 10.366 1.00 73.13 C ATOM 408 O LYS A 28 9.353 -2.876 9.624 1.00 33.23 O ATOM 409 CB LYS A 28 10.202 -4.831 11.926 1.00 10.45 C ATOM 410 CG LYS A 28 10.536 -6.295 12.155 1.00 2.22 C ATOM 411 CD LYS A 28 10.303 -6.700 13.601 1.00 53.25 C ATOM 412 CE LYS A 28 11.319 -7.737 14.059 1.00 14.30 C ATOM 413 NZ LYS A 28 11.669 -7.572 15.497 1.00 1.02 N ATOM 0 H LYS A 28 12.542 -4.052 12.186 1.00 33.40 H new ATOM 0 HA LYS A 28 10.986 -4.869 9.925 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.396 -4.275 12.843 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.136 -4.739 11.717 1.00 10.45 H new ATOM 0 HG2 LYS A 28 9.925 -6.915 11.499 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.577 -6.478 11.888 1.00 2.22 H new ATOM 0 HD2 LYS A 28 10.365 -5.820 14.241 1.00 53.25 H new ATOM 0 HD3 LYS A 28 9.296 -7.103 13.710 1.00 53.25 H new ATOM 0 HE2 LYS A 28 10.917 -8.737 13.895 1.00 14.30 H new ATOM 0 HE3 LYS A 28 12.222 -7.654 13.454 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 12.657 -7.859 15.649 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 11.552 -6.575 15.771 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 11.043 -8.166 16.077 1.00 1.02 H new ATOM 427 N GLN A 29 10.885 -1.771 10.847 1.00 54.00 N ATOM 428 CA GLN A 29 10.352 -0.453 10.524 1.00 31.22 C ATOM 429 C GLN A 29 10.972 0.085 9.239 1.00 50.15 C ATOM 430 O GLN A 29 10.377 0.916 8.552 1.00 72.44 O ATOM 431 CB GLN A 29 10.610 0.521 11.675 1.00 30.00 C ATOM 432 CG GLN A 29 9.703 0.300 12.874 1.00 61.43 C ATOM 433 CD GLN A 29 9.872 1.367 13.939 1.00 52.42 C ATOM 434 OE1 GLN A 29 10.530 2.384 13.716 1.00 3.31 O ATOM 435 NE2 GLN A 29 9.276 1.141 15.103 1.00 52.22 N ATOM 0 H GLN A 29 11.699 -1.758 11.461 1.00 54.00 H new ATOM 0 HA GLN A 29 9.277 -0.551 10.374 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.648 0.427 11.993 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.478 1.541 11.313 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.665 0.285 12.542 1.00 61.43 H new ATOM 0 HG3 GLN A 29 9.913 -0.678 13.308 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.741 0.284 15.244 1.00 52.22 H new ATOM 0 HE22 GLN A 29 9.353 1.824 15.857 1.00 52.22 H new ATOM 444 N ILE A 30 12.169 -0.395 8.920 1.00 2.02 N ATOM 445 CA ILE A 30 12.869 0.038 7.716 1.00 13.22 C ATOM 446 C ILE A 30 12.751 -1.003 6.609 1.00 11.13 C ATOM 447 O ILE A 30 13.587 -1.061 5.705 1.00 22.43 O ATOM 448 CB ILE A 30 14.359 0.307 7.997 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.056 -0.979 8.445 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.512 1.394 9.050 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.897 -1.619 7.364 1.00 63.02 C ATOM 0 H ILE A 30 12.674 -1.083 9.478 1.00 2.02 H new ATOM 0 HA ILE A 30 12.397 0.965 7.392 1.00 13.22 H new ATOM 0 HB ILE A 30 14.831 0.652 7.077 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.690 -0.759 9.304 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.303 -1.693 8.779 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.571 1.572 9.237 1.00 14.42 H new ATOM 0 HG22 ILE A 30 14.046 2.313 8.694 1.00 14.42 H new ATOM 0 HG23 ILE A 30 14.029 1.076 9.974 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.361 -2.526 7.753 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.265 -1.871 6.513 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.673 -0.922 7.046 1.00 63.02 H new ATOM 463 N LEU A 31 11.709 -1.823 6.683 1.00 64.14 N ATOM 464 CA LEU A 31 11.480 -2.862 5.685 1.00 21.12 C ATOM 465 C LEU A 31 10.428 -2.422 4.672 1.00 14.43 C ATOM 466 O LEU A 31 9.525 -1.651 4.996 1.00 1.54 O ATOM 467 CB LEU A 31 11.040 -4.161 6.363 1.00 41.11 C ATOM 468 CG LEU A 31 11.546 -5.455 5.727 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.554 -6.583 6.747 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.690 -5.827 4.524 1.00 12.21 C ATOM 0 H LEU A 31 11.009 -1.789 7.424 1.00 64.14 H new ATOM 0 HA LEU A 31 12.417 -3.035 5.156 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.372 -4.136 7.401 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.950 -4.189 6.377 1.00 41.11 H new ATOM 0 HG LEU A 31 12.569 -5.295 5.385 1.00 20.21 H new ATOM 0 HD11 LEU A 31 11.917 -7.497 6.276 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.208 -6.318 7.578 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.542 -6.744 7.119 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.064 -6.751 4.083 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.657 -5.969 4.842 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.735 -5.028 3.784 1.00 12.21 H new ATOM 482 N SER A 32 10.551 -2.919 3.445 1.00 11.55 N ATOM 483 CA SER A 32 9.612 -2.575 2.384 1.00 52.24 C ATOM 484 C SER A 32 9.680 -3.592 1.249 1.00 35.45 C ATOM 485 O SER A 32 10.665 -4.315 1.105 1.00 30.51 O ATOM 486 CB SER A 32 9.907 -1.174 1.846 1.00 52.12 C ATOM 487 OG SER A 32 9.650 -1.097 0.455 1.00 54.11 O ATOM 0 H SER A 32 11.291 -3.561 3.162 1.00 11.55 H new ATOM 0 HA SER A 32 8.606 -2.590 2.804 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.295 -0.442 2.373 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.948 -0.918 2.041 1.00 52.12 H new ATOM 0 HG SER A 32 9.845 -0.191 0.136 1.00 54.11 H new ATOM 493 N GLY A 33 8.623 -3.642 0.443 1.00 1.31 N ATOM 494 CA GLY A 33 8.580 -4.573 -0.669 1.00 55.30 C ATOM 495 C GLY A 33 9.638 -4.276 -1.714 1.00 2.44 C ATOM 496 O GLY A 33 9.946 -5.121 -2.555 1.00 22.34 O ATOM 0 H GLY A 33 7.796 -3.054 0.541 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.717 -5.588 -0.295 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.594 -4.535 -1.133 1.00 55.30 H new ATOM 500 N THR A 34 10.194 -3.070 -1.664 1.00 51.35 N ATOM 501 CA THR A 34 11.220 -2.661 -2.616 1.00 3.10 C ATOM 502 C THR A 34 12.574 -2.508 -1.932 1.00 64.01 C ATOM 503 O THR A 34 13.338 -1.592 -2.240 1.00 73.14 O ATOM 504 CB THR A 34 10.852 -1.333 -3.303 1.00 42.35 C ATOM 505 OG1 THR A 34 10.864 -0.267 -2.348 1.00 2.24 O ATOM 506 CG2 THR A 34 9.481 -1.422 -3.955 1.00 32.33 C ATOM 0 H THR A 34 9.951 -2.359 -0.974 1.00 51.35 H new ATOM 0 HA THR A 34 11.283 -3.446 -3.370 1.00 3.10 H new ATOM 0 HB THR A 34 11.592 -1.134 -4.078 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.630 0.574 -2.794 1.00 2.24 H new ATOM 0 HG21 THR A 34 9.243 -0.472 -4.434 1.00 32.33 H new ATOM 0 HG22 THR A 34 9.485 -2.214 -4.703 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.731 -1.643 -3.196 1.00 32.33 H new ATOM 514 N THR A 35 12.868 -3.412 -1.002 1.00 44.01 N ATOM 515 CA THR A 35 14.130 -3.377 -0.275 1.00 42.43 C ATOM 516 C THR A 35 14.818 -4.738 -0.303 1.00 0.31 C ATOM 517 O THR A 35 14.315 -5.709 0.259 1.00 42.14 O ATOM 518 CB THR A 35 13.922 -2.950 1.190 1.00 23.32 C ATOM 519 OG1 THR A 35 12.856 -1.998 1.276 1.00 14.23 O ATOM 520 CG2 THR A 35 15.195 -2.346 1.763 1.00 52.31 C ATOM 0 H THR A 35 12.249 -4.177 -0.735 1.00 44.01 H new ATOM 0 HA THR A 35 14.762 -2.643 -0.774 1.00 42.43 H new ATOM 0 HB THR A 35 13.665 -3.836 1.771 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.091 -1.301 1.924 1.00 14.23 H new ATOM 0 HG21 THR A 35 15.024 -2.052 2.799 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.997 -3.083 1.723 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.477 -1.470 1.179 1.00 52.31 H new ATOM 528 N ASN A 36 15.973 -4.799 -0.959 1.00 22.34 N ATOM 529 CA ASN A 36 16.731 -6.041 -1.059 1.00 3.42 C ATOM 530 C ASN A 36 17.115 -6.556 0.324 1.00 24.22 C ATOM 531 O ASN A 36 18.006 -6.010 0.976 1.00 54.35 O ATOM 532 CB ASN A 36 17.988 -5.828 -1.904 1.00 23.01 C ATOM 533 CG ASN A 36 18.509 -7.122 -2.500 1.00 71.14 C ATOM 534 OD1 ASN A 36 18.479 -8.171 -1.857 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.989 -7.052 -3.737 1.00 21.54 N ATOM 0 H ASN A 36 16.404 -4.003 -1.429 1.00 22.34 H new ATOM 0 HA ASN A 36 16.099 -6.786 -1.542 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.768 -5.124 -2.707 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.765 -5.376 -1.287 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.352 -7.890 -4.191 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.994 -6.160 -4.232 1.00 21.54 H new ATOM 542 N LEU A 37 16.438 -7.611 0.766 1.00 42.04 N ATOM 543 CA LEU A 37 16.709 -8.202 2.071 1.00 41.12 C ATOM 544 C LEU A 37 18.089 -8.849 2.100 1.00 34.43 C ATOM 545 O LEU A 37 18.621 -9.155 3.168 1.00 41.43 O ATOM 546 CB LEU A 37 15.639 -9.240 2.415 1.00 32.32 C ATOM 547 CG LEU A 37 14.195 -8.736 2.429 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.469 -9.160 1.162 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.463 -9.248 3.661 1.00 73.30 C ATOM 0 H LEU A 37 15.698 -8.074 0.239 1.00 42.04 H new ATOM 0 HA LEU A 37 16.686 -7.405 2.815 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.710 -10.058 1.698 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.867 -9.656 3.396 1.00 32.32 H new ATOM 0 HG LEU A 37 14.212 -7.647 2.467 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.443 -8.792 1.190 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.980 -8.744 0.293 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.463 -10.248 1.093 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.437 -8.879 3.654 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.457 -10.338 3.654 1.00 73.30 H new ATOM 0 HD23 LEU A 37 13.970 -8.894 4.559 1.00 73.30 H new ATOM 561 N ALA A 38 18.667 -9.054 0.920 1.00 11.43 N ATOM 562 CA ALA A 38 19.987 -9.661 0.810 1.00 64.01 C ATOM 563 C ALA A 38 21.086 -8.611 0.936 1.00 74.52 C ATOM 564 O ALA A 38 22.079 -8.817 1.634 1.00 11.43 O ATOM 565 CB ALA A 38 20.117 -10.408 -0.509 1.00 72.25 C ATOM 0 H ALA A 38 18.241 -8.808 0.027 1.00 11.43 H new ATOM 0 HA ALA A 38 20.102 -10.371 1.629 1.00 64.01 H new ATOM 0 HB1 ALA A 38 21.108 -10.856 -0.577 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.360 -11.191 -0.560 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.976 -9.713 -1.336 1.00 72.25 H new ATOM 571 N LYS A 39 20.901 -7.484 0.257 1.00 24.43 N ATOM 572 CA LYS A 39 21.877 -6.400 0.293 1.00 74.40 C ATOM 573 C LYS A 39 21.675 -5.527 1.528 1.00 20.11 C ATOM 574 O LYS A 39 22.611 -5.294 2.294 1.00 33.41 O ATOM 575 CB LYS A 39 21.767 -5.545 -0.972 1.00 32.01 C ATOM 576 CG LYS A 39 23.093 -5.333 -1.679 1.00 13.31 C ATOM 577 CD LYS A 39 22.930 -5.353 -3.190 1.00 0.14 C ATOM 578 CE LYS A 39 22.842 -3.946 -3.759 1.00 0.24 C ATOM 579 NZ LYS A 39 24.145 -3.229 -3.669 1.00 32.20 N ATOM 0 H LYS A 39 20.084 -7.297 -0.325 1.00 24.43 H new ATOM 0 HA LYS A 39 22.872 -6.842 0.340 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.069 -6.019 -1.662 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.346 -4.575 -0.709 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.522 -4.379 -1.371 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.795 -6.110 -1.378 1.00 13.31 H new ATOM 0 HD2 LYS A 39 23.773 -5.877 -3.641 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.031 -5.910 -3.453 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.525 -3.995 -4.801 1.00 0.24 H new ATOM 0 HE3 LYS A 39 22.080 -3.383 -3.220 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 24.153 -2.438 -4.344 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 24.273 -2.862 -2.704 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.919 -3.886 -3.895 1.00 32.20 H new ATOM 593 N ASP A 40 20.450 -5.050 1.716 1.00 63.34 N ATOM 594 CA ASP A 40 20.126 -4.205 2.860 1.00 12.34 C ATOM 595 C ASP A 40 20.600 -4.846 4.160 1.00 41.35 C ATOM 596 O ASP A 40 21.440 -4.291 4.868 1.00 11.14 O ATOM 597 CB ASP A 40 18.619 -3.950 2.921 1.00 60.32 C ATOM 598 CG ASP A 40 18.259 -2.834 3.881 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.608 -1.670 3.594 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.631 -3.124 4.921 1.00 22.23 O ATOM 0 H ASP A 40 19.665 -5.234 1.091 1.00 63.34 H new ATOM 0 HA ASP A 40 20.643 -3.253 2.737 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.255 -3.699 1.924 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.111 -4.865 3.225 1.00 60.32 H new ATOM 605 N PHE A 41 20.054 -6.018 4.469 1.00 51.23 N ATOM 606 CA PHE A 41 20.419 -6.734 5.686 1.00 55.34 C ATOM 607 C PHE A 41 21.750 -7.462 5.511 1.00 13.42 C ATOM 608 O PHE A 41 22.256 -8.084 6.443 1.00 4.32 O ATOM 609 CB PHE A 41 19.324 -7.734 6.063 1.00 32.53 C ATOM 610 CG PHE A 41 17.981 -7.098 6.278 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.854 -5.960 7.059 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.843 -7.638 5.698 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.619 -5.374 7.259 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.605 -7.055 5.894 1.00 63.51 C ATOM 615 CZ PHE A 41 15.493 -5.922 6.674 1.00 32.44 C ATOM 0 H PHE A 41 19.358 -6.492 3.894 1.00 51.23 H new ATOM 0 HA PHE A 41 20.527 -6.004 6.488 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.241 -8.483 5.276 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.619 -8.258 6.972 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.731 -5.526 7.517 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.925 -8.524 5.086 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.533 -4.489 7.872 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.726 -7.486 5.437 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.527 -5.464 6.827 1.00 32.44 H new ATOM 625 N ASN A 42 22.308 -7.378 4.308 1.00 62.01 N ATOM 626 CA ASN A 42 23.579 -8.029 4.009 1.00 43.41 C ATOM 627 C ASN A 42 23.541 -9.502 4.404 1.00 32.20 C ATOM 628 O ASN A 42 24.488 -10.022 4.996 1.00 14.03 O ATOM 629 CB ASN A 42 24.722 -7.322 4.739 1.00 74.50 C ATOM 630 CG ASN A 42 26.085 -7.782 4.262 1.00 43.04 C ATOM 631 OD1 ASN A 42 26.379 -7.753 3.066 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.927 -8.211 5.195 1.00 71.31 N ATOM 0 H ASN A 42 21.901 -6.866 3.525 1.00 62.01 H new ATOM 0 HA ASN A 42 23.749 -7.964 2.934 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.633 -6.246 4.592 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.634 -7.505 5.810 1.00 74.50 H new ATOM 0 HD21 ASN A 42 27.858 -8.533 4.932 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.642 -8.218 6.174 1.00 71.31 H new ATOM 639 N LEU A 43 22.442 -10.171 4.072 1.00 0.14 N ATOM 640 CA LEU A 43 22.281 -11.584 4.391 1.00 4.12 C ATOM 641 C LEU A 43 23.403 -12.414 3.775 1.00 55.50 C ATOM 642 O LEU A 43 23.990 -12.028 2.764 1.00 12.51 O ATOM 643 CB LEU A 43 20.926 -12.089 3.890 1.00 2.23 C ATOM 644 CG LEU A 43 19.699 -11.579 4.648 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.421 -12.018 3.949 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.718 -12.072 6.088 1.00 61.35 C ATOM 0 H LEU A 43 21.649 -9.757 3.582 1.00 0.14 H new ATOM 0 HA LEU A 43 22.326 -11.693 5.475 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.822 -11.811 2.841 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.928 -13.178 3.932 1.00 2.23 H new ATOM 0 HG LEU A 43 19.728 -10.489 4.658 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.558 -11.647 4.502 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.404 -11.616 2.936 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.384 -13.107 3.908 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.838 -11.699 6.612 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.713 -13.162 6.100 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.617 -11.708 6.585 1.00 61.35 H new ATOM 658 N ASP A 44 23.697 -13.554 4.391 1.00 13.11 N ATOM 659 CA ASP A 44 24.746 -14.438 3.901 1.00 72.53 C ATOM 660 C ASP A 44 24.165 -15.525 3.001 1.00 75.24 C ATOM 661 O ASP A 44 22.985 -15.858 3.096 1.00 40.44 O ATOM 662 CB ASP A 44 25.493 -15.076 5.074 1.00 51.15 C ATOM 663 CG ASP A 44 26.955 -14.677 5.116 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.609 -14.713 4.053 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.445 -14.330 6.212 1.00 30.42 O ATOM 0 H ASP A 44 23.223 -13.887 5.231 1.00 13.11 H new ATOM 0 HA ASP A 44 25.445 -13.842 3.315 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.013 -14.784 6.008 1.00 51.15 H new ATOM 0 HB3 ASP A 44 25.418 -16.161 5.002 1.00 51.15 H new ATOM 670 N SER A 45 25.004 -16.073 2.127 1.00 65.32 N ATOM 671 CA SER A 45 24.573 -17.118 1.206 1.00 60.12 C ATOM 672 C SER A 45 23.936 -18.280 1.963 1.00 31.24 C ATOM 673 O SER A 45 23.103 -19.007 1.420 1.00 40.22 O ATOM 674 CB SER A 45 25.759 -17.621 0.381 1.00 63.42 C ATOM 675 OG SER A 45 25.326 -18.464 -0.672 1.00 12.42 O ATOM 0 H SER A 45 25.986 -15.811 2.038 1.00 65.32 H new ATOM 0 HA SER A 45 23.827 -16.692 0.535 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.306 -16.773 -0.030 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.450 -18.164 1.025 1.00 63.42 H new ATOM 0 HG SER A 45 26.102 -18.771 -1.185 1.00 12.42 H new ATOM 681 N LEU A 46 24.334 -18.448 3.219 1.00 71.33 N ATOM 682 CA LEU A 46 23.802 -19.521 4.053 1.00 25.25 C ATOM 683 C LEU A 46 22.366 -19.225 4.472 1.00 62.14 C ATOM 684 O LEU A 46 21.501 -20.099 4.423 1.00 62.33 O ATOM 685 CB LEU A 46 24.678 -19.713 5.291 1.00 13.24 C ATOM 686 CG LEU A 46 26.004 -20.442 5.070 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.902 -20.299 6.289 1.00 42.14 C ATOM 688 CD2 LEU A 46 25.758 -21.912 4.757 1.00 75.23 C ATOM 0 H LEU A 46 25.023 -17.856 3.683 1.00 71.33 H new ATOM 0 HA LEU A 46 23.807 -20.440 3.466 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.892 -18.732 5.715 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.104 -20.264 6.036 1.00 13.24 H new ATOM 0 HG LEU A 46 26.509 -19.988 4.217 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.841 -20.824 6.113 1.00 42.14 H new ATOM 0 HD12 LEU A 46 27.105 -19.243 6.469 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.405 -20.727 7.159 1.00 42.14 H new ATOM 0 HD21 LEU A 46 26.712 -22.416 4.603 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.232 -22.378 5.590 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.153 -21.995 3.854 1.00 75.23 H new ATOM 700 N ASP A 47 22.119 -17.986 4.882 1.00 2.12 N ATOM 701 CA ASP A 47 20.786 -17.573 5.307 1.00 55.22 C ATOM 702 C ASP A 47 19.799 -17.644 4.147 1.00 62.23 C ATOM 703 O ASP A 47 18.715 -18.214 4.275 1.00 64.30 O ATOM 704 CB ASP A 47 20.826 -16.152 5.872 1.00 35.55 C ATOM 705 CG ASP A 47 20.250 -16.069 7.272 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.328 -16.852 7.582 1.00 22.24 O ATOM 707 OD2 ASP A 47 20.724 -15.221 8.058 1.00 73.34 O ATOM 0 H ASP A 47 22.824 -17.250 4.929 1.00 2.12 H new ATOM 0 HA ASP A 47 20.452 -18.257 6.087 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.857 -15.798 5.885 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.269 -15.486 5.213 1.00 35.55 H new ATOM 712 N PHE A 48 20.181 -17.064 3.014 1.00 64.30 N ATOM 713 CA PHE A 48 19.328 -17.060 1.831 1.00 64.44 C ATOM 714 C PHE A 48 18.864 -18.474 1.492 1.00 11.41 C ATOM 715 O PHE A 48 17.673 -18.717 1.293 1.00 74.22 O ATOM 716 CB PHE A 48 20.076 -16.458 0.640 1.00 22.22 C ATOM 717 CG PHE A 48 19.167 -15.933 -0.434 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.574 -14.687 -0.312 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.905 -16.687 -1.568 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.737 -14.200 -1.299 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.069 -16.206 -2.558 1.00 10.41 C ATOM 722 CZ PHE A 48 17.484 -14.962 -2.423 1.00 43.02 C ATOM 0 H PHE A 48 21.076 -16.591 2.890 1.00 64.30 H new ATOM 0 HA PHE A 48 18.451 -16.450 2.047 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.714 -15.648 0.993 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.732 -17.216 0.212 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.768 -14.088 0.566 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.359 -17.661 -1.679 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.282 -13.226 -1.191 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.873 -16.803 -3.437 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.830 -14.586 -3.195 1.00 43.02 H new ATOM 732 N VAL A 49 19.812 -19.403 1.428 1.00 31.14 N ATOM 733 CA VAL A 49 19.501 -20.793 1.113 1.00 4.02 C ATOM 734 C VAL A 49 18.405 -21.331 2.026 1.00 75.11 C ATOM 735 O VAL A 49 17.406 -21.878 1.560 1.00 13.45 O ATOM 736 CB VAL A 49 20.746 -21.688 1.240 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.371 -23.153 1.070 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.803 -21.280 0.223 1.00 40.22 C ATOM 0 H VAL A 49 20.802 -19.219 1.590 1.00 31.14 H new ATOM 0 HA VAL A 49 19.152 -20.814 0.081 1.00 4.02 H new ATOM 0 HB VAL A 49 21.164 -21.557 2.238 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.264 -23.770 1.163 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.652 -23.436 1.839 1.00 42.05 H new ATOM 0 HG13 VAL A 49 19.927 -23.303 0.086 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.676 -21.924 0.328 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.397 -21.380 -0.784 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.093 -20.244 0.396 1.00 40.22 H new ATOM 748 N ASP A 50 18.600 -21.171 3.331 1.00 22.50 N ATOM 749 CA ASP A 50 17.628 -21.640 4.312 1.00 13.12 C ATOM 750 C ASP A 50 16.286 -20.937 4.127 1.00 71.13 C ATOM 751 O ASP A 50 15.230 -21.509 4.399 1.00 54.43 O ATOM 752 CB ASP A 50 18.149 -21.404 5.731 1.00 0.42 C ATOM 753 CG ASP A 50 19.127 -22.474 6.173 1.00 65.22 C ATOM 754 OD1 ASP A 50 18.671 -23.554 6.602 1.00 24.13 O ATOM 755 OD2 ASP A 50 20.350 -22.232 6.089 1.00 60.22 O ATOM 0 H ASP A 50 19.422 -20.720 3.733 1.00 22.50 H new ATOM 0 HA ASP A 50 17.482 -22.709 4.159 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.635 -20.429 5.779 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.308 -21.376 6.424 1.00 0.42 H new ATOM 760 N LEU A 51 16.335 -19.693 3.664 1.00 21.14 N ATOM 761 CA LEU A 51 15.125 -18.910 3.443 1.00 73.32 C ATOM 762 C LEU A 51 14.307 -19.485 2.290 1.00 12.04 C ATOM 763 O LEU A 51 13.144 -19.851 2.463 1.00 41.05 O ATOM 764 CB LEU A 51 15.481 -17.452 3.151 1.00 42.44 C ATOM 765 CG LEU A 51 15.393 -16.489 4.337 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.385 -15.348 4.172 1.00 12.25 C ATOM 767 CD2 LEU A 51 13.978 -15.952 4.482 1.00 62.45 C ATOM 0 H LEU A 51 17.201 -19.205 3.434 1.00 21.14 H new ATOM 0 HA LEU A 51 14.523 -18.955 4.351 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.496 -17.419 2.756 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.821 -17.088 2.364 1.00 42.44 H new ATOM 0 HG LEU A 51 15.648 -17.035 5.245 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.308 -14.673 5.025 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.397 -15.750 4.117 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.162 -14.802 3.256 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.933 -15.269 5.330 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.695 -15.421 3.573 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.289 -16.781 4.647 1.00 62.45 H new ATOM 779 N ILE A 52 14.924 -19.565 1.116 1.00 42.41 N ATOM 780 CA ILE A 52 14.255 -20.099 -0.063 1.00 64.52 C ATOM 781 C ILE A 52 13.778 -21.527 0.174 1.00 62.04 C ATOM 782 O ILE A 52 12.700 -21.915 -0.272 1.00 73.21 O ATOM 783 CB ILE A 52 15.181 -20.076 -1.294 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.487 -20.812 -0.991 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.461 -18.643 -1.721 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.495 -20.745 -2.117 1.00 45.42 C ATOM 0 H ILE A 52 15.886 -19.267 0.956 1.00 42.41 H new ATOM 0 HA ILE A 52 13.394 -19.459 -0.254 1.00 64.52 H new ATOM 0 HB ILE A 52 14.680 -20.587 -2.116 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.932 -20.389 -0.090 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.264 -21.857 -0.776 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.117 -18.644 -2.592 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.523 -18.149 -1.974 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.944 -18.108 -0.904 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.396 -21.288 -1.832 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.069 -21.194 -3.014 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.748 -19.704 -2.318 1.00 45.42 H new ATOM 798 N MET A 53 14.590 -22.306 0.882 1.00 51.11 N ATOM 799 CA MET A 53 14.250 -23.692 1.183 1.00 32.40 C ATOM 800 C MET A 53 13.083 -23.764 2.162 1.00 13.42 C ATOM 801 O MET A 53 12.198 -24.610 2.027 1.00 74.24 O ATOM 802 CB MET A 53 15.462 -24.423 1.762 1.00 44.13 C ATOM 803 CG MET A 53 16.525 -24.752 0.724 1.00 25.10 C ATOM 804 SD MET A 53 17.156 -26.434 0.887 1.00 72.30 S ATOM 805 CE MET A 53 15.659 -27.384 0.634 1.00 3.12 C ATOM 0 H MET A 53 15.488 -22.001 1.258 1.00 51.11 H new ATOM 0 HA MET A 53 13.953 -24.177 0.253 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.907 -23.809 2.544 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.128 -25.347 2.234 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.107 -24.620 -0.274 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.351 -24.047 0.819 1.00 25.10 H new ATOM 0 HE1 MET A 53 15.909 -28.345 0.184 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.167 -27.550 1.592 1.00 3.12 H new ATOM 0 HE3 MET A 53 14.988 -26.837 -0.028 1.00 3.12 H new ATOM 815 N SER A 54 13.088 -22.874 3.149 1.00 2.33 N ATOM 816 CA SER A 54 12.031 -22.841 4.153 1.00 62.54 C ATOM 817 C SER A 54 10.677 -22.557 3.509 1.00 44.30 C ATOM 818 O SER A 54 9.716 -23.304 3.703 1.00 20.01 O ATOM 819 CB SER A 54 12.337 -21.778 5.211 1.00 71.54 C ATOM 820 OG SER A 54 11.218 -21.560 6.053 1.00 73.12 O ATOM 0 H SER A 54 13.812 -22.166 3.275 1.00 2.33 H new ATOM 0 HA SER A 54 11.988 -23.820 4.631 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.191 -22.092 5.810 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.616 -20.844 4.723 1.00 71.54 H new ATOM 0 HG SER A 54 11.439 -20.878 6.721 1.00 73.12 H new ATOM 826 N LEU A 55 10.609 -21.476 2.742 1.00 14.25 N ATOM 827 CA LEU A 55 9.374 -21.092 2.068 1.00 10.24 C ATOM 828 C LEU A 55 8.989 -22.121 1.009 1.00 75.25 C ATOM 829 O LEU A 55 7.811 -22.426 0.826 1.00 71.11 O ATOM 830 CB LEU A 55 9.527 -19.714 1.423 1.00 41.14 C ATOM 831 CG LEU A 55 9.125 -18.519 2.289 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.550 -17.216 1.631 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.625 -18.526 2.543 1.00 42.13 C ATOM 0 H LEU A 55 11.395 -20.849 2.571 1.00 14.25 H new ATOM 0 HA LEU A 55 8.581 -21.050 2.814 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.568 -19.588 1.126 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.930 -19.693 0.511 1.00 41.14 H new ATOM 0 HG LEU A 55 9.636 -18.601 3.248 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.256 -16.377 2.262 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.632 -17.210 1.501 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.067 -17.125 0.658 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.357 -17.669 3.161 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.095 -18.468 1.592 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.347 -19.446 3.058 1.00 42.13 H new ATOM 845 N GLU A 56 9.991 -22.653 0.317 1.00 54.04 N ATOM 846 CA GLU A 56 9.758 -23.649 -0.722 1.00 2.32 C ATOM 847 C GLU A 56 9.008 -24.854 -0.163 1.00 62.44 C ATOM 848 O GLU A 56 7.985 -25.269 -0.707 1.00 54.25 O ATOM 849 CB GLU A 56 11.086 -24.100 -1.336 1.00 1.43 C ATOM 850 CG GLU A 56 10.926 -25.142 -2.429 1.00 42.31 C ATOM 851 CD GLU A 56 12.215 -25.891 -2.713 1.00 5.51 C ATOM 852 OE1 GLU A 56 12.496 -26.877 -2.000 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.942 -25.490 -3.647 1.00 62.11 O ATOM 0 H GLU A 56 10.972 -22.411 0.457 1.00 54.04 H new ATOM 0 HA GLU A 56 9.145 -23.190 -1.498 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.601 -23.231 -1.746 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.722 -24.505 -0.549 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.153 -25.853 -2.138 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.584 -24.656 -3.342 1.00 42.31 H new ATOM 860 N GLU A 57 9.526 -25.411 0.928 1.00 54.50 N ATOM 861 CA GLU A 57 8.905 -26.570 1.561 1.00 24.33 C ATOM 862 C GLU A 57 7.605 -26.178 2.257 1.00 63.24 C ATOM 863 O GLU A 57 6.665 -26.970 2.328 1.00 51.32 O ATOM 864 CB GLU A 57 9.866 -27.202 2.570 1.00 70.42 C ATOM 865 CG GLU A 57 10.092 -26.353 3.810 1.00 45.51 C ATOM 866 CD GLU A 57 10.950 -27.051 4.847 1.00 41.40 C ATOM 867 OE1 GLU A 57 12.170 -27.188 4.614 1.00 54.52 O ATOM 868 OE2 GLU A 57 10.402 -27.462 5.891 1.00 54.44 O ATOM 0 H GLU A 57 10.372 -25.079 1.391 1.00 54.50 H new ATOM 0 HA GLU A 57 8.675 -27.298 0.783 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.475 -28.174 2.872 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.825 -27.381 2.083 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.568 -25.415 3.522 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.129 -26.099 4.252 1.00 45.51 H new ATOM 875 N ARG A 58 7.560 -24.952 2.767 1.00 53.32 N ATOM 876 CA ARG A 58 6.376 -24.457 3.459 1.00 13.33 C ATOM 877 C ARG A 58 5.150 -24.520 2.553 1.00 74.53 C ATOM 878 O ARG A 58 4.138 -25.128 2.902 1.00 31.54 O ATOM 879 CB ARG A 58 6.600 -23.019 3.931 1.00 54.15 C ATOM 880 CG ARG A 58 5.420 -22.436 4.690 1.00 74.42 C ATOM 881 CD ARG A 58 5.582 -22.608 6.192 1.00 52.45 C ATOM 882 NE ARG A 58 5.191 -23.944 6.635 1.00 53.44 N ATOM 883 CZ ARG A 58 5.175 -24.321 7.909 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.528 -23.467 8.861 1.00 42.21 N ATOM 885 NH2 ARG A 58 4.806 -25.554 8.233 1.00 23.43 N ATOM 0 H ARG A 58 8.329 -24.284 2.714 1.00 53.32 H new ATOM 0 HA ARG A 58 6.199 -25.094 4.325 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.483 -22.989 4.570 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.811 -22.390 3.066 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.321 -21.377 4.453 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.501 -22.923 4.364 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.620 -22.424 6.468 1.00 52.45 H new ATOM 0 HD3 ARG A 58 4.978 -21.863 6.710 1.00 52.45 H new ATOM 0 HE ARG A 58 4.915 -24.625 5.927 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.812 -22.519 8.616 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.515 -23.759 9.838 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.534 -26.213 7.504 1.00 23.43 H new ATOM 0 HH22 ARG A 58 4.794 -25.842 9.211 1.00 23.43 H new ATOM 899 N PHE A 59 5.250 -23.889 1.388 1.00 13.35 N ATOM 900 CA PHE A 59 4.148 -23.872 0.431 1.00 45.43 C ATOM 901 C PHE A 59 4.342 -24.941 -0.640 1.00 63.14 C ATOM 902 O PHE A 59 3.629 -24.967 -1.643 1.00 53.21 O ATOM 903 CB PHE A 59 4.035 -22.494 -0.223 1.00 45.14 C ATOM 904 CG PHE A 59 3.535 -21.427 0.709 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.421 -20.691 1.478 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.180 -21.161 0.815 1.00 71.35 C ATOM 907 CE1 PHE A 59 3.966 -19.708 2.337 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.718 -20.179 1.671 1.00 62.10 C ATOM 909 CZ PHE A 59 2.612 -19.452 2.434 1.00 34.21 C ATOM 0 H PHE A 59 6.082 -23.383 1.083 1.00 13.35 H new ATOM 0 HA PHE A 59 3.226 -24.087 0.972 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.013 -22.201 -0.606 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.364 -22.561 -1.079 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.481 -20.887 1.406 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.477 -21.727 0.222 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.668 -19.141 2.931 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.659 -19.980 1.744 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.253 -18.685 3.105 1.00 34.21 H new ATOM 919 N SER A 60 5.313 -25.822 -0.419 1.00 31.03 N ATOM 920 CA SER A 60 5.603 -26.892 -1.366 1.00 23.01 C ATOM 921 C SER A 60 5.784 -26.336 -2.776 1.00 74.45 C ATOM 922 O SER A 60 5.492 -27.010 -3.764 1.00 64.52 O ATOM 923 CB SER A 60 4.480 -27.931 -1.356 1.00 35.11 C ATOM 924 OG SER A 60 4.962 -29.206 -1.746 1.00 74.33 O ATOM 0 H SER A 60 5.911 -25.816 0.407 1.00 31.03 H new ATOM 0 HA SER A 60 6.533 -27.371 -1.060 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.046 -27.992 -0.358 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.684 -27.617 -2.031 1.00 35.11 H new ATOM 0 HG SER A 60 4.226 -29.853 -1.730 1.00 74.33 H new ATOM 930 N LEU A 61 6.266 -25.101 -2.860 1.00 21.40 N ATOM 931 CA LEU A 61 6.486 -24.452 -4.147 1.00 71.22 C ATOM 932 C LEU A 61 7.737 -25.000 -4.827 1.00 54.53 C ATOM 933 O LEU A 61 8.642 -25.507 -4.165 1.00 0.43 O ATOM 934 CB LEU A 61 6.613 -22.939 -3.962 1.00 74.25 C ATOM 935 CG LEU A 61 6.890 -22.129 -5.229 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.758 -22.303 -6.231 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.084 -20.658 -4.891 1.00 62.50 C ATOM 0 H LEU A 61 6.512 -24.529 -2.052 1.00 21.40 H new ATOM 0 HA LEU A 61 5.627 -24.663 -4.784 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.691 -22.569 -3.513 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.415 -22.746 -3.249 1.00 74.25 H new ATOM 0 HG LEU A 61 7.809 -22.501 -5.681 1.00 13.52 H new ATOM 0 HD11 LEU A 61 5.972 -21.720 -7.127 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.666 -23.356 -6.497 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.824 -21.958 -5.788 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.280 -20.097 -5.805 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.183 -20.272 -4.415 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.929 -20.549 -4.211 1.00 62.50 H new ATOM 949 N GLU A 62 7.781 -24.892 -6.151 1.00 64.11 N ATOM 950 CA GLU A 62 8.921 -25.376 -6.920 1.00 40.54 C ATOM 951 C GLU A 62 9.820 -24.219 -7.347 1.00 32.21 C ATOM 952 O GLU A 62 9.581 -23.581 -8.373 1.00 65.30 O ATOM 953 CB GLU A 62 8.444 -26.148 -8.151 1.00 3.23 C ATOM 954 CG GLU A 62 7.482 -27.278 -7.826 1.00 44.02 C ATOM 955 CD GLU A 62 8.139 -28.398 -7.044 1.00 2.22 C ATOM 956 OE1 GLU A 62 9.271 -28.785 -7.401 1.00 33.24 O ATOM 957 OE2 GLU A 62 7.522 -28.887 -6.075 1.00 32.41 O ATOM 0 H GLU A 62 7.040 -24.473 -6.713 1.00 64.11 H new ATOM 0 HA GLU A 62 9.498 -26.046 -6.283 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.958 -25.455 -8.838 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.310 -26.558 -8.671 1.00 3.23 H new ATOM 0 HG2 GLU A 62 6.644 -26.883 -7.252 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.072 -27.679 -8.753 1.00 44.02 H new ATOM 964 N ILE A 63 10.851 -23.954 -6.553 1.00 12.34 N ATOM 965 CA ILE A 63 11.785 -22.874 -6.849 1.00 13.42 C ATOM 966 C ILE A 63 13.083 -23.416 -7.437 1.00 50.35 C ATOM 967 O ILE A 63 13.566 -24.474 -7.033 1.00 1.03 O ATOM 968 CB ILE A 63 12.111 -22.050 -5.589 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.823 -21.661 -4.861 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.911 -20.811 -5.959 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.062 -20.912 -3.569 1.00 31.30 C ATOM 0 H ILE A 63 11.061 -24.472 -5.700 1.00 12.34 H new ATOM 0 HA ILE A 63 11.299 -22.228 -7.580 1.00 13.42 H new ATOM 0 HB ILE A 63 12.715 -22.662 -4.919 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.214 -21.044 -5.522 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.249 -22.563 -4.648 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.134 -20.239 -5.058 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.843 -21.110 -6.439 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.331 -20.195 -6.646 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.105 -20.668 -3.107 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.645 -21.535 -2.890 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.609 -19.992 -3.777 1.00 31.30 H new ATOM 983 N SER A 64 13.644 -22.683 -8.394 1.00 62.12 N ATOM 984 CA SER A 64 14.887 -23.091 -9.040 1.00 24.42 C ATOM 985 C SER A 64 16.025 -22.144 -8.676 1.00 43.13 C ATOM 986 O SER A 64 15.879 -21.287 -7.804 1.00 51.43 O ATOM 987 CB SER A 64 14.707 -23.131 -10.559 1.00 11.30 C ATOM 988 OG SER A 64 13.475 -23.736 -10.911 1.00 62.42 O ATOM 0 H SER A 64 13.258 -21.804 -8.739 1.00 62.12 H new ATOM 0 HA SER A 64 15.142 -24.089 -8.685 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.746 -22.118 -10.960 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.530 -23.685 -11.011 1.00 11.30 H new ATOM 0 HG SER A 64 12.751 -23.082 -10.817 1.00 62.42 H new ATOM 994 N ASP A 65 17.159 -22.304 -9.350 1.00 62.34 N ATOM 995 CA ASP A 65 18.323 -21.463 -9.099 1.00 23.42 C ATOM 996 C ASP A 65 18.164 -20.102 -9.769 1.00 74.13 C ATOM 997 O ASP A 65 18.458 -19.067 -9.170 1.00 54.05 O ATOM 998 CB ASP A 65 19.593 -22.149 -9.605 1.00 52.11 C ATOM 999 CG ASP A 65 20.852 -21.539 -9.022 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.816 -20.348 -8.649 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.874 -22.254 -8.938 1.00 61.43 O ATOM 0 H ASP A 65 17.296 -23.009 -10.074 1.00 62.34 H new ATOM 0 HA ASP A 65 18.406 -21.311 -8.023 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.555 -23.209 -9.352 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.630 -22.082 -10.692 1.00 52.11 H new ATOM 1006 N GLU A 66 17.699 -20.111 -11.014 1.00 21.54 N ATOM 1007 CA GLU A 66 17.503 -18.876 -11.766 1.00 3.53 C ATOM 1008 C GLU A 66 16.265 -18.131 -11.275 1.00 44.45 C ATOM 1009 O GLU A 66 16.179 -16.909 -11.387 1.00 51.24 O ATOM 1010 CB GLU A 66 17.372 -19.178 -13.260 1.00 13.04 C ATOM 1011 CG GLU A 66 18.701 -19.191 -13.997 1.00 65.22 C ATOM 1012 CD GLU A 66 19.581 -20.357 -13.593 1.00 70.22 C ATOM 1013 OE1 GLU A 66 19.034 -21.437 -13.288 1.00 75.31 O ATOM 1014 OE2 GLU A 66 20.820 -20.189 -13.581 1.00 23.41 O ATOM 0 H GLU A 66 17.451 -20.959 -11.524 1.00 21.54 H new ATOM 0 HA GLU A 66 18.375 -18.241 -11.607 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.887 -20.146 -13.385 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.720 -18.433 -13.717 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.516 -19.235 -15.070 1.00 65.22 H new ATOM 0 HG3 GLU A 66 19.229 -18.258 -13.802 1.00 65.22 H new ATOM 1021 N ASP A 67 15.310 -18.878 -10.731 1.00 50.34 N ATOM 1022 CA ASP A 67 14.077 -18.290 -10.224 1.00 4.40 C ATOM 1023 C ASP A 67 14.371 -17.285 -9.114 1.00 63.04 C ATOM 1024 O ASP A 67 13.785 -16.203 -9.070 1.00 63.01 O ATOM 1025 CB ASP A 67 13.140 -19.382 -9.705 1.00 31.35 C ATOM 1026 CG ASP A 67 12.784 -20.395 -10.774 1.00 43.02 C ATOM 1027 OD1 ASP A 67 13.231 -20.222 -11.928 1.00 3.12 O ATOM 1028 OD2 ASP A 67 12.059 -21.361 -10.458 1.00 23.01 O ATOM 0 H ASP A 67 15.367 -19.891 -10.630 1.00 50.34 H new ATOM 0 HA ASP A 67 13.590 -17.765 -11.046 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.612 -19.894 -8.867 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.227 -18.923 -9.325 1.00 31.35 H new ATOM 1033 N ALA A 68 15.280 -17.651 -8.217 1.00 50.52 N ATOM 1034 CA ALA A 68 15.652 -16.782 -7.107 1.00 14.12 C ATOM 1035 C ALA A 68 16.439 -15.571 -7.599 1.00 75.14 C ATOM 1036 O ALA A 68 16.485 -14.538 -6.930 1.00 20.01 O ATOM 1037 CB ALA A 68 16.462 -17.557 -6.078 1.00 45.43 C ATOM 0 H ALA A 68 15.773 -18.544 -8.237 1.00 50.52 H new ATOM 0 HA ALA A 68 14.737 -16.422 -6.637 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.733 -16.896 -5.255 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.867 -18.386 -5.696 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.367 -17.945 -6.545 1.00 45.43 H new ATOM 1043 N GLN A 69 17.054 -15.706 -8.768 1.00 33.43 N ATOM 1044 CA GLN A 69 17.840 -14.622 -9.347 1.00 50.50 C ATOM 1045 C GLN A 69 16.989 -13.370 -9.529 1.00 42.43 C ATOM 1046 O GLN A 69 17.511 -12.258 -9.612 1.00 20.02 O ATOM 1047 CB GLN A 69 18.429 -15.052 -10.692 1.00 42.55 C ATOM 1048 CG GLN A 69 19.921 -14.792 -10.814 1.00 42.41 C ATOM 1049 CD GLN A 69 20.234 -13.362 -11.208 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.881 -12.627 -10.461 1.00 60.33 O ATOM 1051 NE2 GLN A 69 19.774 -12.958 -12.387 1.00 70.11 N ATOM 0 H GLN A 69 17.024 -16.554 -9.333 1.00 33.43 H new ATOM 0 HA GLN A 69 18.654 -14.390 -8.660 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.241 -16.116 -10.838 1.00 42.55 H new ATOM 0 HB3 GLN A 69 17.910 -14.524 -11.492 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.404 -15.017 -9.863 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.345 -15.470 -11.555 1.00 42.41 H new ATOM 0 HE21 GLN A 69 19.242 -13.600 -12.974 1.00 70.11 H new ATOM 0 HE22 GLN A 69 19.953 -12.005 -12.705 1.00 70.11 H new ATOM 1060 N LYS A 70 15.675 -13.558 -9.589 1.00 74.45 N ATOM 1061 CA LYS A 70 14.750 -12.444 -9.760 1.00 1.53 C ATOM 1062 C LYS A 70 13.925 -12.223 -8.497 1.00 1.43 C ATOM 1063 O LYS A 70 12.924 -11.506 -8.514 1.00 51.12 O ATOM 1064 CB LYS A 70 13.822 -12.703 -10.949 1.00 34.22 C ATOM 1065 CG LYS A 70 12.814 -13.813 -10.705 1.00 63.44 C ATOM 1066 CD LYS A 70 13.025 -14.976 -11.659 1.00 33.11 C ATOM 1067 CE LYS A 70 12.464 -14.674 -13.039 1.00 71.42 C ATOM 1068 NZ LYS A 70 13.524 -14.225 -13.984 1.00 44.31 N ATOM 0 H LYS A 70 15.227 -14.472 -9.522 1.00 74.45 H new ATOM 0 HA LYS A 70 15.335 -11.545 -9.952 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.287 -11.784 -11.188 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.425 -12.957 -11.821 1.00 34.22 H new ATOM 0 HG2 LYS A 70 12.900 -14.164 -9.677 1.00 63.44 H new ATOM 0 HG3 LYS A 70 11.804 -13.421 -10.825 1.00 63.44 H new ATOM 0 HD2 LYS A 70 14.090 -15.194 -11.738 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.545 -15.869 -11.258 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.978 -15.565 -13.436 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.699 -13.902 -12.959 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 13.260 -14.492 -14.954 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 13.627 -13.192 -13.925 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 14.426 -14.678 -13.734 1.00 44.31 H new ATOM 1082 N LEU A 71 14.351 -12.842 -7.402 1.00 13.15 N ATOM 1083 CA LEU A 71 13.651 -12.713 -6.128 1.00 10.42 C ATOM 1084 C LEU A 71 14.614 -12.298 -5.019 1.00 61.30 C ATOM 1085 O LEU A 71 15.186 -13.143 -4.334 1.00 61.23 O ATOM 1086 CB LEU A 71 12.971 -14.033 -5.760 1.00 23.55 C ATOM 1087 CG LEU A 71 12.039 -14.624 -6.818 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.516 -15.981 -6.370 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.884 -13.674 -7.103 1.00 12.53 C ATOM 0 H LEU A 71 15.178 -13.438 -7.370 1.00 13.15 H new ATOM 0 HA LEU A 71 12.892 -11.938 -6.235 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.745 -14.767 -5.535 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.399 -13.882 -4.844 1.00 23.55 H new ATOM 0 HG LEU A 71 12.606 -14.761 -7.739 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.854 -16.387 -7.135 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.354 -16.661 -6.217 1.00 21.03 H new ATOM 0 HD13 LEU A 71 10.965 -15.868 -5.436 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.231 -14.111 -7.858 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.317 -13.505 -6.187 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.276 -12.724 -7.468 1.00 12.53 H new ATOM 1101 N GLU A 72 14.782 -10.990 -4.848 1.00 14.33 N ATOM 1102 CA GLU A 72 15.674 -10.464 -3.822 1.00 73.52 C ATOM 1103 C GLU A 72 14.901 -9.622 -2.810 1.00 43.43 C ATOM 1104 O GLU A 72 15.268 -9.548 -1.636 1.00 73.12 O ATOM 1105 CB GLU A 72 16.782 -9.623 -4.459 1.00 41.34 C ATOM 1106 CG GLU A 72 16.265 -8.442 -5.264 1.00 21.33 C ATOM 1107 CD GLU A 72 17.101 -8.168 -6.500 1.00 53.11 C ATOM 1108 OE1 GLU A 72 17.552 -9.142 -7.138 1.00 42.31 O ATOM 1109 OE2 GLU A 72 17.303 -6.981 -6.827 1.00 52.00 O ATOM 0 H GLU A 72 14.313 -10.277 -5.406 1.00 14.33 H new ATOM 0 HA GLU A 72 16.124 -11.309 -3.300 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.444 -9.255 -3.675 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.382 -10.260 -5.109 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.234 -8.634 -5.562 1.00 21.33 H new ATOM 0 HG3 GLU A 72 16.254 -7.553 -4.633 1.00 21.33 H new ATOM 1116 N THR A 73 13.828 -8.988 -3.273 1.00 72.44 N ATOM 1117 CA THR A 73 13.003 -8.151 -2.410 1.00 4.34 C ATOM 1118 C THR A 73 11.762 -8.899 -1.942 1.00 12.00 C ATOM 1119 O THR A 73 11.366 -9.900 -2.539 1.00 42.34 O ATOM 1120 CB THR A 73 12.570 -6.859 -3.130 1.00 65.13 C ATOM 1121 OG1 THR A 73 11.847 -7.182 -4.322 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.777 -6.002 -3.478 1.00 4.33 C ATOM 0 H THR A 73 13.510 -9.038 -4.241 1.00 72.44 H new ATOM 0 HA THR A 73 13.613 -7.890 -1.545 1.00 4.34 H new ATOM 0 HB THR A 73 11.926 -6.293 -2.457 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.566 -6.356 -4.768 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.446 -5.096 -3.985 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.308 -5.733 -2.565 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.444 -6.562 -4.134 1.00 4.33 H new ATOM 1130 N VAL A 74 11.149 -8.408 -0.868 1.00 44.25 N ATOM 1131 CA VAL A 74 9.951 -9.029 -0.320 1.00 71.10 C ATOM 1132 C VAL A 74 8.833 -9.074 -1.355 1.00 60.12 C ATOM 1133 O VAL A 74 8.172 -10.099 -1.527 1.00 22.51 O ATOM 1134 CB VAL A 74 9.450 -8.279 0.928 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.174 -8.917 1.459 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.528 -8.250 2.000 1.00 34.04 C ATOM 0 H VAL A 74 11.464 -7.581 -0.361 1.00 44.25 H new ATOM 0 HA VAL A 74 10.223 -10.046 -0.038 1.00 71.10 H new ATOM 0 HB VAL A 74 9.223 -7.251 0.646 1.00 25.12 H new ATOM 0 HG11 VAL A 74 7.835 -8.373 2.341 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.402 -8.880 0.691 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.370 -9.955 1.726 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.157 -7.716 2.875 1.00 34.04 H new ATOM 0 HG22 VAL A 74 10.789 -9.270 2.281 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.412 -7.743 1.613 1.00 34.04 H new ATOM 1146 N ASP A 75 8.626 -7.957 -2.044 1.00 22.54 N ATOM 1147 CA ASP A 75 7.588 -7.870 -3.065 1.00 40.14 C ATOM 1148 C ASP A 75 7.830 -8.888 -4.175 1.00 70.00 C ATOM 1149 O ASP A 75 6.922 -9.620 -4.568 1.00 42.53 O ATOM 1150 CB ASP A 75 7.539 -6.458 -3.653 1.00 63.23 C ATOM 1151 CG ASP A 75 6.351 -6.254 -4.571 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.612 -7.231 -4.812 1.00 1.32 O ATOM 1153 OD2 ASP A 75 6.160 -5.116 -5.049 1.00 23.41 O ATOM 0 H ASP A 75 9.163 -7.100 -1.914 1.00 22.54 H new ATOM 0 HA ASP A 75 6.631 -8.094 -2.595 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.497 -5.731 -2.842 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.459 -6.266 -4.206 1.00 63.23 H new ATOM 1158 N ASP A 76 9.059 -8.927 -4.677 1.00 53.01 N ATOM 1159 CA ASP A 76 9.421 -9.855 -5.742 1.00 32.13 C ATOM 1160 C ASP A 76 9.205 -11.299 -5.301 1.00 4.15 C ATOM 1161 O ASP A 76 8.565 -12.083 -6.002 1.00 73.03 O ATOM 1162 CB ASP A 76 10.879 -9.647 -6.156 1.00 73.52 C ATOM 1163 CG ASP A 76 11.069 -8.401 -6.998 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.383 -7.392 -6.729 1.00 43.24 O ATOM 1165 OD2 ASP A 76 11.905 -8.433 -7.925 1.00 14.20 O ATOM 0 H ASP A 76 9.822 -8.327 -4.364 1.00 53.01 H new ATOM 0 HA ASP A 76 8.777 -9.656 -6.598 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.501 -9.577 -5.263 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.222 -10.517 -6.716 1.00 73.52 H new ATOM 1170 N ILE A 77 9.744 -11.643 -4.136 1.00 33.41 N ATOM 1171 CA ILE A 77 9.610 -12.993 -3.602 1.00 42.01 C ATOM 1172 C ILE A 77 8.146 -13.354 -3.380 1.00 14.23 C ATOM 1173 O ILE A 77 7.657 -14.357 -3.901 1.00 4.43 O ATOM 1174 CB ILE A 77 10.373 -13.150 -2.273 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.858 -12.838 -2.472 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.192 -14.556 -1.722 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.565 -12.432 -1.199 1.00 0.20 C ATOM 0 H ILE A 77 10.277 -11.006 -3.544 1.00 33.41 H new ATOM 0 HA ILE A 77 10.040 -13.669 -4.341 1.00 42.01 H new ATOM 0 HB ILE A 77 9.966 -12.442 -1.551 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.353 -13.715 -2.889 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.958 -12.037 -3.205 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.737 -14.652 -0.783 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.133 -14.745 -1.548 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.577 -15.280 -2.440 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.613 -12.226 -1.415 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.096 -11.536 -0.792 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.497 -13.240 -0.471 1.00 0.20 H new ATOM 1189 N CYS A 78 7.449 -12.528 -2.606 1.00 61.25 N ATOM 1190 CA CYS A 78 6.038 -12.759 -2.316 1.00 2.14 C ATOM 1191 C CYS A 78 5.228 -12.858 -3.603 1.00 72.24 C ATOM 1192 O CYS A 78 4.329 -13.691 -3.721 1.00 42.05 O ATOM 1193 CB CYS A 78 5.487 -11.637 -1.436 1.00 33.40 C ATOM 1194 SG CYS A 78 3.870 -11.995 -0.710 1.00 42.35 S ATOM 0 H CYS A 78 7.838 -11.693 -2.168 1.00 61.25 H new ATOM 0 HA CYS A 78 5.952 -13.705 -1.781 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.197 -11.437 -0.634 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.413 -10.726 -2.031 1.00 33.40 H new ATOM 0 HG CYS A 78 3.221 -12.817 -1.480 1.00 42.35 H new ATOM 1200 N ARG A 79 5.550 -12.000 -4.567 1.00 42.12 N ATOM 1201 CA ARG A 79 4.849 -11.989 -5.845 1.00 32.51 C ATOM 1202 C ARG A 79 5.040 -13.311 -6.582 1.00 62.11 C ATOM 1203 O ARG A 79 4.094 -13.863 -7.144 1.00 54.33 O ATOM 1204 CB ARG A 79 5.347 -10.832 -6.714 1.00 34.14 C ATOM 1205 CG ARG A 79 4.847 -10.888 -8.148 1.00 33.33 C ATOM 1206 CD ARG A 79 4.689 -9.495 -8.738 1.00 43.34 C ATOM 1207 NE ARG A 79 4.073 -9.528 -10.061 1.00 64.15 N ATOM 1208 CZ ARG A 79 3.869 -8.446 -10.803 1.00 42.12 C ATOM 1209 NH1 ARG A 79 4.231 -7.252 -10.354 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.303 -8.557 -11.998 1.00 72.00 N ATOM 0 H ARG A 79 6.291 -11.304 -4.487 1.00 42.12 H new ATOM 0 HA ARG A 79 3.786 -11.854 -5.646 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.032 -9.890 -6.265 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.437 -10.835 -6.718 1.00 34.14 H new ATOM 0 HG2 ARG A 79 5.545 -11.465 -8.755 1.00 33.33 H new ATOM 0 HG3 ARG A 79 3.890 -11.409 -8.181 1.00 33.33 H new ATOM 0 HD2 ARG A 79 4.081 -8.885 -8.070 1.00 43.34 H new ATOM 0 HD3 ARG A 79 5.666 -9.017 -8.805 1.00 43.34 H new ATOM 0 HE ARG A 79 3.784 -10.431 -10.436 1.00 64.15 H new ATOM 0 HH11 ARG A 79 4.667 -7.163 -9.436 1.00 41.13 H new ATOM 0 HH12 ARG A 79 4.073 -6.423 -10.926 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.024 -9.474 -12.347 1.00 72.00 H new ATOM 0 HH22 ARG A 79 3.147 -7.725 -12.567 1.00 72.00 H new ATOM 1224 N TYR A 80 6.270 -13.814 -6.575 1.00 65.34 N ATOM 1225 CA TYR A 80 6.586 -15.069 -7.245 1.00 50.23 C ATOM 1226 C TYR A 80 5.867 -16.238 -6.578 1.00 33.42 C ATOM 1227 O TYR A 80 5.392 -17.154 -7.251 1.00 3.40 O ATOM 1228 CB TYR A 80 8.096 -15.312 -7.234 1.00 55.12 C ATOM 1229 CG TYR A 80 8.492 -16.687 -7.721 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.536 -17.768 -6.848 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.823 -16.906 -9.051 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.898 -19.027 -7.289 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.186 -18.162 -9.501 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.221 -19.219 -8.615 1.00 53.44 C ATOM 1235 OH TYR A 80 9.582 -20.471 -9.059 1.00 12.11 O ATOM 0 H TYR A 80 7.064 -13.371 -6.113 1.00 65.34 H new ATOM 0 HA TYR A 80 6.244 -14.996 -8.277 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.581 -14.561 -7.858 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.470 -15.173 -6.220 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.283 -17.622 -5.808 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.797 -16.081 -9.747 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.928 -19.856 -6.598 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.441 -18.315 -10.539 1.00 4.04 H new ATOM 0 HH TYR A 80 10.465 -20.426 -9.481 1.00 12.11 H new ATOM 1245 N ILE A 81 5.790 -16.199 -5.252 1.00 75.45 N ATOM 1246 CA ILE A 81 5.128 -17.254 -4.495 1.00 44.21 C ATOM 1247 C ILE A 81 3.612 -17.162 -4.635 1.00 45.44 C ATOM 1248 O ILE A 81 2.921 -18.179 -4.683 1.00 63.42 O ATOM 1249 CB ILE A 81 5.500 -17.191 -3.001 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.011 -17.346 -2.821 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.755 -18.267 -2.225 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.469 -17.183 -1.390 1.00 20.45 C ATOM 0 H ILE A 81 6.178 -15.449 -4.680 1.00 75.45 H new ATOM 0 HA ILE A 81 5.471 -18.203 -4.907 1.00 44.21 H new ATOM 0 HB ILE A 81 5.206 -16.217 -2.609 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.312 -18.330 -3.180 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.520 -16.610 -3.443 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.028 -18.210 -1.171 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.681 -18.114 -2.331 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.022 -19.249 -2.617 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.551 -17.306 -1.338 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.199 -16.189 -1.032 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.988 -17.936 -0.766 1.00 20.45 H new ATOM 1264 N ALA A 82 3.103 -15.936 -4.700 1.00 24.44 N ATOM 1265 CA ALA A 82 1.669 -15.712 -4.839 1.00 74.32 C ATOM 1266 C ALA A 82 1.181 -16.123 -6.224 1.00 1.20 C ATOM 1267 O ALA A 82 0.157 -16.792 -6.358 1.00 72.43 O ATOM 1268 CB ALA A 82 1.335 -14.252 -4.571 1.00 50.42 C ATOM 0 H ALA A 82 3.662 -15.084 -4.659 1.00 24.44 H new ATOM 0 HA ALA A 82 1.156 -16.332 -4.103 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.261 -14.099 -4.678 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.640 -13.989 -3.558 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.865 -13.621 -5.285 1.00 50.42 H new ATOM 1274 N SER A 83 1.919 -15.715 -7.252 1.00 34.12 N ATOM 1275 CA SER A 83 1.558 -16.037 -8.627 1.00 43.14 C ATOM 1276 C SER A 83 1.382 -17.542 -8.805 1.00 54.13 C ATOM 1277 O SER A 83 0.635 -17.995 -9.673 1.00 22.31 O ATOM 1278 CB SER A 83 2.626 -15.519 -9.592 1.00 1.43 C ATOM 1279 OG SER A 83 2.333 -15.893 -10.927 1.00 10.43 O ATOM 0 H SER A 83 2.770 -15.161 -7.158 1.00 34.12 H new ATOM 0 HA SER A 83 0.609 -15.549 -8.851 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.689 -14.433 -9.521 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.601 -15.914 -9.306 1.00 1.43 H new ATOM 0 HG SER A 83 3.030 -15.548 -11.524 1.00 10.43 H new ATOM 1285 N LYS A 84 2.077 -18.314 -7.976 1.00 42.25 N ATOM 1286 CA LYS A 84 1.998 -19.769 -8.038 1.00 0.24 C ATOM 1287 C LYS A 84 0.752 -20.278 -7.322 1.00 65.15 C ATOM 1288 O LYS A 84 0.149 -21.270 -7.734 1.00 0.04 O ATOM 1289 CB LYS A 84 3.248 -20.394 -7.414 1.00 70.24 C ATOM 1290 CG LYS A 84 4.543 -19.950 -8.072 1.00 52.41 C ATOM 1291 CD LYS A 84 4.906 -20.843 -9.246 1.00 32.14 C ATOM 1292 CE LYS A 84 6.372 -20.695 -9.627 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.623 -21.105 -11.036 1.00 51.04 N ATOM 0 H LYS A 84 2.701 -17.956 -7.253 1.00 42.25 H new ATOM 0 HA LYS A 84 1.937 -20.060 -9.087 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.282 -20.138 -6.355 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.172 -21.479 -7.477 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.444 -18.920 -8.414 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.349 -19.966 -7.338 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.698 -21.882 -8.992 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.279 -20.593 -10.102 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.680 -19.658 -9.490 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.984 -21.300 -8.958 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.633 -20.989 -11.257 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.353 -22.102 -11.161 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.059 -20.511 -11.676 1.00 51.04 H new ATOM 1307 N SER A 85 0.367 -19.591 -6.251 1.00 10.43 N ATOM 1308 CA SER A 85 -0.808 -19.976 -5.477 1.00 43.33 C ATOM 1309 C SER A 85 -2.073 -19.370 -6.074 1.00 10.44 C ATOM 1310 O SER A 85 -2.036 -18.747 -7.135 1.00 32.24 O ATOM 1311 CB SER A 85 -0.653 -19.533 -4.021 1.00 24.21 C ATOM 1312 OG SER A 85 -1.567 -20.214 -3.180 1.00 62.21 O ATOM 0 H SER A 85 0.851 -18.765 -5.899 1.00 10.43 H new ATOM 0 HA SER A 85 -0.896 -21.062 -5.511 1.00 43.33 H new ATOM 0 HB2 SER A 85 0.366 -19.725 -3.686 1.00 24.21 H new ATOM 0 HB3 SER A 85 -0.816 -18.458 -3.946 1.00 24.21 H new ATOM 0 HG SER A 85 -1.446 -19.914 -2.255 1.00 62.21 H new ATOM 1318 N SER A 86 -3.194 -19.556 -5.384 1.00 23.42 N ATOM 1319 CA SER A 86 -4.473 -19.031 -5.846 1.00 64.32 C ATOM 1320 C SER A 86 -5.051 -18.042 -4.838 1.00 34.22 C ATOM 1321 O SER A 86 -6.268 -17.889 -4.730 1.00 3.04 O ATOM 1322 CB SER A 86 -5.462 -20.174 -6.082 1.00 61.24 C ATOM 1323 OG SER A 86 -6.563 -19.743 -6.863 1.00 32.21 O ATOM 0 H SER A 86 -3.242 -20.067 -4.502 1.00 23.42 H new ATOM 0 HA SER A 86 -4.304 -18.506 -6.786 1.00 64.32 H new ATOM 0 HB2 SER A 86 -4.956 -20.999 -6.585 1.00 61.24 H new ATOM 0 HB3 SER A 86 -5.818 -20.554 -5.125 1.00 61.24 H new ATOM 0 HG SER A 86 -6.940 -18.926 -6.474 1.00 32.21 H new ATOM 1329 N ASP A 87 -4.170 -17.375 -4.101 1.00 33.10 N ATOM 1330 CA ASP A 87 -4.591 -16.400 -3.103 1.00 34.24 C ATOM 1331 C ASP A 87 -5.430 -17.064 -2.016 1.00 52.42 C ATOM 1332 O ASP A 87 -6.302 -16.433 -1.418 1.00 53.21 O ATOM 1333 CB ASP A 87 -5.387 -15.273 -3.762 1.00 33.23 C ATOM 1334 CG ASP A 87 -4.736 -14.773 -5.036 1.00 3.24 C ATOM 1335 OD1 ASP A 87 -3.695 -14.090 -4.942 1.00 24.05 O ATOM 1336 OD2 ASP A 87 -5.268 -15.066 -6.128 1.00 61.42 O ATOM 0 H ASP A 87 -3.160 -17.492 -4.176 1.00 33.10 H new ATOM 0 HA ASP A 87 -3.697 -15.980 -2.642 1.00 34.24 H new ATOM 0 HB2 ASP A 87 -6.394 -15.626 -3.986 1.00 33.23 H new ATOM 0 HB3 ASP A 87 -5.488 -14.445 -3.060 1.00 33.23 H new ATOM 1341 N ALA A 88 -5.161 -18.340 -1.764 1.00 51.22 N ATOM 1342 CA ALA A 88 -5.891 -19.090 -0.748 1.00 24.22 C ATOM 1343 C ALA A 88 -5.698 -18.473 0.633 1.00 25.02 C ATOM 1344 O ALA A 88 -6.509 -18.682 1.535 1.00 32.15 O ATOM 1345 CB ALA A 88 -5.447 -20.546 -0.746 1.00 70.24 C ATOM 0 H ALA A 88 -4.443 -18.877 -2.249 1.00 51.22 H new ATOM 0 HA ALA A 88 -6.953 -19.046 -0.991 1.00 24.22 H new ATOM 0 HB1 ALA A 88 -6.000 -21.094 0.017 1.00 70.24 H new ATOM 0 HB2 ALA A 88 -5.643 -20.987 -1.723 1.00 70.24 H new ATOM 0 HB3 ALA A 88 -4.380 -20.601 -0.530 1.00 70.24 H new TER 1351 ALA A 88