USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 996 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 72 GLN : amide:sc= 0.11 K(o=0.11,f=-3.6!) USER MOD Set 1.2: B 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 89:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 15 THR OG1 : rot 41:sc= 0.084 USER MOD Single : A 16 THR OG1 : rot 35:sc= 0.0633 USER MOD Single : A 17 SER OG : rot 50:sc= 0.131 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= 1.35 (180deg=0.659) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.022 (180deg=-0.133) USER MOD Single : A 40 SER OG : rot 70:sc= 1.32 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= 1.02 (180deg=-0.685!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 48 TYR OH : rot 120:sc= -2.06! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 50 MET CE :methyl 146:sc= -0.613 (180deg=-2.84!) USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= 0.405 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 60 TYR OH : rot -143:sc= 1.25 USER MOD Single : A 62 MET CE :methyl -139:sc= -0.173 (180deg=-0.78) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.059) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= 0.327 K(o=0.33,f=-4.9!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -42:sc= 1.01 USER MOD Single : A 78 SER OG : rot -30:sc= 0.964 USER MOD Single : A 79 ASN : amide:sc= -0.16 K(o=-0.16,f=-2!) USER MOD Single : A 90 SER OG : rot 46:sc= 1.19 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= 0.822 (180deg=0.435) USER MOD Single : A 96 HIS : no HD1:sc= -0.899 K(o=-0.9,f=0.25) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 16:sc= 1.28 USER MOD Single : A 101 THR OG1 : rot 19:sc= 0.295 USER MOD Single : A 102 MET CE :methyl 131:sc= -0.121 (180deg=-1.44) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.574 K(o=-0.57,f=-2.1!) USER MOD Single : B 304 THR OG1 : rot 42:sc= 0.0633 USER MOD Single : B 308 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 311 SER OG : rot 104:sc= 1.31 USER MOD Single : B 312 SER OG : rot 83:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 41.329 -38.840 -16.689 1.00 1.00 N ATOM 2 CA ASN A 3 42.495 -37.961 -16.510 1.00 64.21 C ATOM 3 C ASN A 3 43.722 -38.803 -16.266 1.00 1.42 C ATOM 4 O ASN A 3 44.671 -38.748 -17.039 1.00 73.22 O ATOM 5 CB ASN A 3 42.291 -36.947 -15.363 1.00 71.21 C ATOM 6 CG ASN A 3 41.063 -36.073 -15.559 1.00 24.41 C ATOM 7 OD1 ASN A 3 40.658 -35.792 -16.679 1.00 11.41 O ATOM 8 ND2 ASN A 3 40.454 -35.654 -14.482 1.00 41.45 N ATOM 0 HA ASN A 3 42.624 -37.379 -17.422 1.00 64.21 H new ATOM 0 HB2 ASN A 3 42.201 -37.486 -14.420 1.00 71.21 H new ATOM 0 HB3 ASN A 3 43.174 -36.312 -15.284 1.00 71.21 H new ATOM 0 HD21 ASN A 3 39.617 -35.076 -14.561 1.00 41.45 H new ATOM 0 HD22 ASN A 3 40.815 -35.905 -13.562 1.00 41.45 H new ATOM 17 N THR A 4 43.707 -39.611 -15.199 1.00 21.23 N ATOM 18 CA THR A 4 44.813 -40.511 -14.940 1.00 20.42 C ATOM 19 C THR A 4 44.792 -41.627 -15.993 1.00 62.42 C ATOM 20 O THR A 4 45.820 -42.013 -16.549 1.00 2.41 O ATOM 21 CB THR A 4 44.689 -41.128 -13.532 1.00 43.05 C ATOM 22 OG1 THR A 4 44.438 -40.080 -12.576 1.00 52.05 O ATOM 23 CG2 THR A 4 45.971 -41.858 -13.144 1.00 0.45 C ATOM 0 H THR A 4 42.950 -39.653 -14.517 1.00 21.23 H new ATOM 0 HA THR A 4 45.750 -39.957 -14.993 1.00 20.42 H new ATOM 0 HB THR A 4 43.866 -41.843 -13.538 1.00 43.05 H new ATOM 0 HG1 THR A 4 44.357 -40.468 -11.680 1.00 52.05 H new ATOM 0 HG21 THR A 4 45.859 -42.285 -12.147 1.00 0.45 H new ATOM 0 HG22 THR A 4 46.166 -42.656 -13.860 1.00 0.45 H new ATOM 0 HG23 THR A 4 46.805 -41.156 -13.147 1.00 0.45 H new ATOM 31 N ASN A 5 43.608 -42.107 -16.274 1.00 20.55 N ATOM 32 CA ASN A 5 43.408 -43.135 -17.258 1.00 31.42 C ATOM 33 C ASN A 5 42.731 -42.526 -18.462 1.00 64.24 C ATOM 34 O ASN A 5 42.332 -41.344 -18.427 1.00 43.23 O ATOM 35 CB ASN A 5 42.561 -44.295 -16.700 1.00 31.43 C ATOM 36 CG ASN A 5 43.216 -45.011 -15.532 1.00 2.30 C ATOM 37 OD1 ASN A 5 43.998 -45.935 -15.722 1.00 54.43 O ATOM 38 ND2 ASN A 5 42.882 -44.621 -14.326 1.00 40.12 N ATOM 0 H ASN A 5 42.750 -41.792 -15.822 1.00 20.55 H new ATOM 0 HA ASN A 5 44.377 -43.548 -17.539 1.00 31.42 H new ATOM 0 HB2 ASN A 5 41.592 -43.908 -16.383 1.00 31.43 H new ATOM 0 HB3 ASN A 5 42.372 -45.014 -17.497 1.00 31.43 H new ATOM 0 HD21 ASN A 5 43.276 -45.090 -13.511 1.00 40.12 H new ATOM 0 HD22 ASN A 5 42.228 -43.848 -14.203 1.00 40.12 H new ATOM 45 N MET A 6 42.599 -43.302 -19.515 1.00 50.32 N ATOM 46 CA MET A 6 41.978 -42.830 -20.737 1.00 55.35 C ATOM 47 C MET A 6 40.482 -43.019 -20.682 1.00 55.10 C ATOM 48 O MET A 6 39.991 -44.031 -20.167 1.00 33.22 O ATOM 49 CB MET A 6 42.541 -43.545 -21.970 1.00 43.32 C ATOM 50 CG MET A 6 43.992 -43.233 -22.276 1.00 31.30 C ATOM 51 SD MET A 6 44.575 -44.055 -23.776 1.00 50.44 S ATOM 52 CE MET A 6 46.257 -43.449 -23.847 1.00 54.43 C ATOM 0 H MET A 6 42.916 -44.271 -19.551 1.00 50.32 H new ATOM 0 HA MET A 6 42.205 -41.767 -20.824 1.00 55.35 H new ATOM 0 HB2 MET A 6 42.437 -44.621 -21.828 1.00 43.32 H new ATOM 0 HB3 MET A 6 41.936 -43.278 -22.836 1.00 43.32 H new ATOM 0 HG2 MET A 6 44.113 -42.155 -22.386 1.00 31.30 H new ATOM 0 HG3 MET A 6 44.612 -43.539 -21.433 1.00 31.30 H new ATOM 0 HE1 MET A 6 46.757 -43.866 -24.721 1.00 54.43 H new ATOM 0 HE2 MET A 6 46.249 -42.361 -23.917 1.00 54.43 H new ATOM 0 HE3 MET A 6 46.791 -43.750 -22.946 1.00 54.43 H new ATOM 62 N SER A 7 39.768 -42.054 -21.184 1.00 73.11 N ATOM 63 CA SER A 7 38.313 -42.106 -21.241 1.00 53.24 C ATOM 64 C SER A 7 37.910 -42.858 -22.496 1.00 5.33 C ATOM 65 O SER A 7 36.914 -43.586 -22.549 1.00 12.05 O ATOM 66 CB SER A 7 37.779 -40.680 -21.298 1.00 51.30 C ATOM 67 OG SER A 7 38.537 -39.843 -20.434 1.00 14.32 O ATOM 0 H SER A 7 40.168 -41.199 -21.571 1.00 73.11 H new ATOM 0 HA SER A 7 37.907 -42.611 -20.365 1.00 53.24 H new ATOM 0 HB2 SER A 7 37.831 -40.304 -22.320 1.00 51.30 H new ATOM 0 HB3 SER A 7 36.729 -40.664 -21.005 1.00 51.30 H new ATOM 0 HG SER A 7 39.303 -39.477 -20.923 1.00 14.32 H new ATOM 73 N VAL A 8 38.739 -42.687 -23.459 1.00 21.31 N ATOM 74 CA VAL A 8 38.648 -43.226 -24.798 1.00 5.42 C ATOM 75 C VAL A 8 40.081 -43.365 -25.287 1.00 40.44 C ATOM 76 O VAL A 8 40.966 -42.766 -24.677 1.00 42.14 O ATOM 77 CB VAL A 8 37.824 -42.279 -25.765 1.00 10.22 C ATOM 78 CG1 VAL A 8 36.335 -42.342 -25.471 1.00 74.14 C ATOM 79 CG2 VAL A 8 38.301 -40.838 -25.651 1.00 45.33 C ATOM 0 H VAL A 8 39.578 -42.119 -23.337 1.00 21.31 H new ATOM 0 HA VAL A 8 38.121 -44.180 -24.791 1.00 5.42 H new ATOM 0 HB VAL A 8 37.994 -42.635 -26.781 1.00 10.22 H new ATOM 0 HG11 VAL A 8 35.801 -41.680 -26.153 1.00 74.14 H new ATOM 0 HG12 VAL A 8 35.981 -43.364 -25.605 1.00 74.14 H new ATOM 0 HG13 VAL A 8 36.153 -42.027 -24.443 1.00 74.14 H new ATOM 0 HG21 VAL A 8 37.720 -40.208 -26.324 1.00 45.33 H new ATOM 0 HG22 VAL A 8 38.170 -40.491 -24.626 1.00 45.33 H new ATOM 0 HG23 VAL A 8 39.356 -40.781 -25.921 1.00 45.33 H new ATOM 89 N PRO A 9 40.342 -44.159 -26.359 1.00 74.40 N ATOM 90 CA PRO A 9 41.711 -44.395 -26.897 1.00 52.31 C ATOM 91 C PRO A 9 42.517 -43.109 -27.210 1.00 2.24 C ATOM 92 O PRO A 9 43.738 -43.152 -27.398 1.00 32.11 O ATOM 93 CB PRO A 9 41.480 -45.215 -28.181 1.00 13.22 C ATOM 94 CG PRO A 9 40.001 -45.207 -28.417 1.00 22.03 C ATOM 95 CD PRO A 9 39.342 -44.954 -27.091 1.00 41.32 C ATOM 0 HA PRO A 9 42.320 -44.901 -26.148 1.00 52.31 H new ATOM 0 HB2 PRO A 9 42.012 -44.776 -29.025 1.00 13.22 H new ATOM 0 HB3 PRO A 9 41.851 -46.233 -28.065 1.00 13.22 H new ATOM 0 HG2 PRO A 9 39.730 -44.433 -29.135 1.00 22.03 H new ATOM 0 HG3 PRO A 9 39.673 -46.159 -28.835 1.00 22.03 H new ATOM 0 HD2 PRO A 9 38.403 -44.412 -27.206 1.00 41.32 H new ATOM 0 HD3 PRO A 9 39.111 -45.885 -26.573 1.00 41.32 H new ATOM 103 N THR A 10 41.830 -42.002 -27.324 1.00 55.24 N ATOM 104 CA THR A 10 42.436 -40.707 -27.497 1.00 33.05 C ATOM 105 C THR A 10 41.516 -39.676 -26.847 1.00 33.12 C ATOM 106 O THR A 10 40.488 -39.309 -27.420 1.00 40.24 O ATOM 107 CB THR A 10 42.642 -40.373 -28.992 1.00 53.43 C ATOM 108 OG1 THR A 10 43.390 -41.440 -29.622 1.00 13.43 O ATOM 109 CG2 THR A 10 43.404 -39.059 -29.158 1.00 1.43 C ATOM 0 H THR A 10 40.811 -41.975 -27.299 1.00 55.24 H new ATOM 0 HA THR A 10 43.421 -40.698 -27.031 1.00 33.05 H new ATOM 0 HB THR A 10 41.664 -40.269 -29.461 1.00 53.43 H new ATOM 0 HG1 THR A 10 43.521 -41.232 -30.571 1.00 13.43 H new ATOM 0 HG21 THR A 10 43.536 -38.846 -30.219 1.00 1.43 H new ATOM 0 HG22 THR A 10 42.840 -38.250 -28.693 1.00 1.43 H new ATOM 0 HG23 THR A 10 44.380 -39.142 -28.680 1.00 1.43 H new ATOM 117 N ASP A 11 41.848 -39.295 -25.620 1.00 22.24 N ATOM 118 CA ASP A 11 41.038 -38.356 -24.821 1.00 52.52 C ATOM 119 C ASP A 11 40.889 -37.017 -25.515 1.00 21.43 C ATOM 120 O ASP A 11 41.855 -36.492 -26.114 1.00 1.43 O ATOM 121 CB ASP A 11 41.647 -38.123 -23.426 1.00 60.33 C ATOM 122 CG ASP A 11 41.778 -39.369 -22.589 1.00 32.54 C ATOM 123 OD1 ASP A 11 42.828 -40.037 -22.665 1.00 72.40 O ATOM 124 OD2 ASP A 11 40.849 -39.678 -21.801 1.00 11.52 O ATOM 0 H ASP A 11 42.686 -39.624 -25.141 1.00 22.24 H new ATOM 0 HA ASP A 11 40.057 -38.818 -24.712 1.00 52.52 H new ATOM 0 HB2 ASP A 11 42.633 -37.673 -23.544 1.00 60.33 H new ATOM 0 HB3 ASP A 11 41.030 -37.402 -22.889 1.00 60.33 H new ATOM 129 N GLY A 12 39.710 -36.464 -25.438 1.00 24.21 N ATOM 130 CA GLY A 12 39.445 -35.205 -26.052 1.00 13.41 C ATOM 131 C GLY A 12 38.272 -34.523 -25.416 1.00 44.33 C ATOM 132 O GLY A 12 37.517 -35.150 -24.651 1.00 44.55 O ATOM 0 H GLY A 12 38.914 -36.875 -24.950 1.00 24.21 H new ATOM 0 HA2 GLY A 12 40.325 -34.567 -25.973 1.00 13.41 H new ATOM 0 HA3 GLY A 12 39.251 -35.350 -27.115 1.00 13.41 H new ATOM 136 N ALA A 13 38.120 -33.267 -25.700 1.00 25.35 N ATOM 137 CA ALA A 13 37.031 -32.490 -25.193 1.00 53.32 C ATOM 138 C ALA A 13 36.051 -32.258 -26.319 1.00 12.11 C ATOM 139 O ALA A 13 36.389 -31.617 -27.313 1.00 52.51 O ATOM 140 CB ALA A 13 37.536 -31.162 -24.641 1.00 34.21 C ATOM 0 H ALA A 13 38.758 -32.744 -26.300 1.00 25.35 H new ATOM 0 HA ALA A 13 36.541 -33.022 -24.378 1.00 53.32 H new ATOM 0 HB1 ALA A 13 36.695 -30.583 -24.259 1.00 34.21 H new ATOM 0 HB2 ALA A 13 38.244 -31.349 -23.834 1.00 34.21 H new ATOM 0 HB3 ALA A 13 38.031 -30.603 -25.435 1.00 34.21 H new ATOM 146 N VAL A 14 34.858 -32.793 -26.183 1.00 54.25 N ATOM 147 CA VAL A 14 33.837 -32.665 -27.212 1.00 44.45 C ATOM 148 C VAL A 14 33.340 -31.223 -27.319 1.00 64.41 C ATOM 149 O VAL A 14 32.939 -30.764 -28.397 1.00 53.45 O ATOM 150 CB VAL A 14 32.646 -33.645 -26.996 1.00 44.03 C ATOM 151 CG1 VAL A 14 33.120 -35.084 -27.085 1.00 13.21 C ATOM 152 CG2 VAL A 14 31.936 -33.398 -25.667 1.00 42.41 C ATOM 0 H VAL A 14 34.565 -33.326 -25.364 1.00 54.25 H new ATOM 0 HA VAL A 14 34.309 -32.940 -28.155 1.00 44.45 H new ATOM 0 HB VAL A 14 31.923 -33.459 -27.791 1.00 44.03 H new ATOM 0 HG11 VAL A 14 32.275 -35.755 -26.932 1.00 13.21 H new ATOM 0 HG12 VAL A 14 33.553 -35.264 -28.069 1.00 13.21 H new ATOM 0 HG13 VAL A 14 33.873 -35.267 -26.318 1.00 13.21 H new ATOM 0 HG21 VAL A 14 31.112 -34.104 -25.558 1.00 42.41 H new ATOM 0 HG22 VAL A 14 32.641 -33.534 -24.847 1.00 42.41 H new ATOM 0 HG23 VAL A 14 31.547 -32.380 -25.646 1.00 42.41 H new ATOM 162 N THR A 15 33.398 -30.522 -26.222 1.00 62.35 N ATOM 163 CA THR A 15 33.013 -29.144 -26.153 1.00 70.21 C ATOM 164 C THR A 15 34.047 -28.392 -25.335 1.00 24.34 C ATOM 165 O THR A 15 34.316 -28.771 -24.185 1.00 4.22 O ATOM 166 CB THR A 15 31.612 -28.997 -25.509 1.00 71.00 C ATOM 167 OG1 THR A 15 31.518 -29.852 -24.354 1.00 53.52 O ATOM 168 CG2 THR A 15 30.499 -29.339 -26.497 1.00 33.25 C ATOM 0 H THR A 15 33.721 -30.903 -25.333 1.00 62.35 H new ATOM 0 HA THR A 15 32.962 -28.731 -27.160 1.00 70.21 H new ATOM 0 HB THR A 15 31.486 -27.956 -25.212 1.00 71.00 H new ATOM 0 HG1 THR A 15 32.356 -29.811 -23.847 1.00 53.52 H new ATOM 0 HG21 THR A 15 29.531 -29.224 -26.009 1.00 33.25 H new ATOM 0 HG22 THR A 15 30.555 -28.668 -27.354 1.00 33.25 H new ATOM 0 HG23 THR A 15 30.615 -30.369 -26.834 1.00 33.25 H new ATOM 176 N THR A 16 34.659 -27.380 -25.922 1.00 34.01 N ATOM 177 CA THR A 16 35.655 -26.595 -25.235 1.00 62.33 C ATOM 178 C THR A 16 35.052 -25.935 -23.999 1.00 62.33 C ATOM 179 O THR A 16 34.097 -25.155 -24.091 1.00 4.14 O ATOM 180 CB THR A 16 36.287 -25.552 -26.178 1.00 32.31 C ATOM 181 OG1 THR A 16 35.251 -24.823 -26.868 1.00 45.44 O ATOM 182 CG2 THR A 16 37.192 -26.230 -27.194 1.00 52.43 C ATOM 0 H THR A 16 34.478 -27.085 -26.881 1.00 34.01 H new ATOM 0 HA THR A 16 36.453 -27.262 -24.907 1.00 62.33 H new ATOM 0 HB THR A 16 36.883 -24.862 -25.580 1.00 32.31 H new ATOM 0 HG1 THR A 16 34.478 -24.713 -26.275 1.00 45.44 H new ATOM 0 HG21 THR A 16 37.629 -25.478 -27.851 1.00 52.43 H new ATOM 0 HG22 THR A 16 37.987 -26.764 -26.674 1.00 52.43 H new ATOM 0 HG23 THR A 16 36.609 -26.935 -27.787 1.00 52.43 H new ATOM 190 N SER A 17 35.569 -26.282 -22.865 1.00 53.04 N ATOM 191 CA SER A 17 35.044 -25.820 -21.629 1.00 52.10 C ATOM 192 C SER A 17 36.014 -24.860 -20.985 1.00 61.15 C ATOM 193 O SER A 17 37.177 -24.770 -21.395 1.00 12.35 O ATOM 194 CB SER A 17 34.802 -27.017 -20.726 1.00 13.42 C ATOM 195 OG SER A 17 34.032 -27.995 -21.417 1.00 72.44 O ATOM 0 H SER A 17 36.375 -26.900 -22.774 1.00 53.04 H new ATOM 0 HA SER A 17 34.104 -25.294 -21.795 1.00 52.10 H new ATOM 0 HB2 SER A 17 35.754 -27.446 -20.412 1.00 13.42 H new ATOM 0 HB3 SER A 17 34.280 -26.703 -19.822 1.00 13.42 H new ATOM 0 HG SER A 17 34.437 -28.172 -22.292 1.00 72.44 H new ATOM 201 N GLN A 18 35.526 -24.134 -20.021 1.00 32.21 N ATOM 202 CA GLN A 18 36.303 -23.204 -19.248 1.00 74.22 C ATOM 203 C GLN A 18 35.810 -23.294 -17.830 1.00 44.22 C ATOM 204 O GLN A 18 34.654 -23.681 -17.615 1.00 45.43 O ATOM 205 CB GLN A 18 36.120 -21.772 -19.764 1.00 3.15 C ATOM 206 CG GLN A 18 36.634 -21.541 -21.174 1.00 61.15 C ATOM 207 CD GLN A 18 36.421 -20.130 -21.643 1.00 34.22 C ATOM 208 OE1 GLN A 18 37.273 -19.264 -21.451 1.00 45.24 O ATOM 209 NE2 GLN A 18 35.309 -19.879 -22.257 1.00 0.13 N ATOM 0 H GLN A 18 34.546 -24.173 -19.741 1.00 32.21 H new ATOM 0 HA GLN A 18 37.363 -23.448 -19.322 1.00 74.22 H new ATOM 0 HB2 GLN A 18 35.060 -21.520 -19.731 1.00 3.15 H new ATOM 0 HB3 GLN A 18 36.631 -21.087 -19.088 1.00 3.15 H new ATOM 0 HG2 GLN A 18 37.698 -21.776 -21.212 1.00 61.15 H new ATOM 0 HG3 GLN A 18 36.132 -22.226 -21.857 1.00 61.15 H new ATOM 0 HE21 GLN A 18 34.625 -20.623 -22.398 1.00 0.13 H new ATOM 0 HE22 GLN A 18 35.117 -18.938 -22.599 1.00 0.13 H new ATOM 218 N ILE A 19 36.646 -22.985 -16.880 1.00 44.01 N ATOM 219 CA ILE A 19 36.247 -23.028 -15.490 1.00 23.43 C ATOM 220 C ILE A 19 35.260 -21.885 -15.207 1.00 41.50 C ATOM 221 O ILE A 19 35.519 -20.726 -15.570 1.00 14.42 O ATOM 222 CB ILE A 19 37.474 -22.925 -14.531 1.00 12.45 C ATOM 223 CG1 ILE A 19 38.471 -24.058 -14.815 1.00 22.44 C ATOM 224 CG2 ILE A 19 37.033 -22.965 -13.062 1.00 51.15 C ATOM 225 CD1 ILE A 19 39.725 -24.015 -13.960 1.00 62.31 C ATOM 0 H ILE A 19 37.612 -22.699 -17.037 1.00 44.01 H new ATOM 0 HA ILE A 19 35.767 -23.989 -15.304 1.00 23.43 H new ATOM 0 HB ILE A 19 37.963 -21.968 -14.713 1.00 12.45 H new ATOM 0 HG12 ILE A 19 37.971 -25.014 -14.658 1.00 22.44 H new ATOM 0 HG13 ILE A 19 38.760 -24.017 -15.865 1.00 22.44 H new ATOM 0 HG21 ILE A 19 37.909 -22.891 -12.417 1.00 51.15 H new ATOM 0 HG22 ILE A 19 36.363 -22.129 -12.860 1.00 51.15 H new ATOM 0 HG23 ILE A 19 36.514 -23.903 -12.863 1.00 51.15 H new ATOM 0 HD11 ILE A 19 40.375 -24.849 -14.225 1.00 62.31 H new ATOM 0 HD12 ILE A 19 40.251 -23.076 -14.133 1.00 62.31 H new ATOM 0 HD13 ILE A 19 39.451 -24.088 -12.908 1.00 62.31 H new ATOM 237 N PRO A 20 34.099 -22.201 -14.610 1.00 42.12 N ATOM 238 CA PRO A 20 33.093 -21.201 -14.263 1.00 24.14 C ATOM 239 C PRO A 20 33.613 -20.219 -13.212 1.00 41.43 C ATOM 240 O PRO A 20 34.634 -20.478 -12.555 1.00 54.35 O ATOM 241 CB PRO A 20 31.922 -22.019 -13.722 1.00 53.30 C ATOM 242 CG PRO A 20 32.507 -23.335 -13.341 1.00 1.42 C ATOM 243 CD PRO A 20 33.678 -23.558 -14.243 1.00 14.14 C ATOM 0 HA PRO A 20 32.814 -20.586 -15.118 1.00 24.14 H new ATOM 0 HB2 PRO A 20 31.463 -21.529 -12.863 1.00 53.30 H new ATOM 0 HB3 PRO A 20 31.143 -22.138 -14.475 1.00 53.30 H new ATOM 0 HG2 PRO A 20 32.817 -23.333 -12.296 1.00 1.42 H new ATOM 0 HG3 PRO A 20 31.773 -24.133 -13.454 1.00 1.42 H new ATOM 0 HD2 PRO A 20 34.476 -24.101 -13.736 1.00 14.14 H new ATOM 0 HD3 PRO A 20 33.402 -24.142 -15.121 1.00 14.14 H new ATOM 251 N ALA A 21 32.921 -19.119 -13.042 1.00 65.43 N ATOM 252 CA ALA A 21 33.370 -18.073 -12.153 1.00 14.44 C ATOM 253 C ALA A 21 33.092 -18.398 -10.691 1.00 3.11 C ATOM 254 O ALA A 21 31.992 -18.179 -10.178 1.00 3.25 O ATOM 255 CB ALA A 21 32.770 -16.731 -12.540 1.00 30.13 C ATOM 0 H ALA A 21 32.037 -18.923 -13.512 1.00 65.43 H new ATOM 0 HA ALA A 21 34.452 -18.006 -12.262 1.00 14.44 H new ATOM 0 HB1 ALA A 21 33.125 -15.962 -11.854 1.00 30.13 H new ATOM 0 HB2 ALA A 21 33.071 -16.477 -13.556 1.00 30.13 H new ATOM 0 HB3 ALA A 21 31.683 -16.790 -12.488 1.00 30.13 H new ATOM 261 N SER A 22 34.060 -18.984 -10.060 1.00 30.10 N ATOM 262 CA SER A 22 34.022 -19.251 -8.665 1.00 45.52 C ATOM 263 C SER A 22 35.080 -18.352 -8.013 1.00 75.41 C ATOM 264 O SER A 22 36.272 -18.547 -8.208 1.00 42.35 O ATOM 265 CB SER A 22 34.329 -20.738 -8.420 1.00 50.13 C ATOM 266 OG SER A 22 33.481 -21.570 -9.222 1.00 10.35 O ATOM 0 H SER A 22 34.918 -19.296 -10.516 1.00 30.10 H new ATOM 0 HA SER A 22 33.040 -19.044 -8.239 1.00 45.52 H new ATOM 0 HB2 SER A 22 35.374 -20.942 -8.654 1.00 50.13 H new ATOM 0 HB3 SER A 22 34.187 -20.975 -7.366 1.00 50.13 H new ATOM 0 HG SER A 22 33.693 -22.512 -9.053 1.00 10.35 H new ATOM 272 N GLU A 23 34.643 -17.335 -7.300 1.00 72.13 N ATOM 273 CA GLU A 23 35.566 -16.379 -6.672 1.00 51.30 C ATOM 274 C GLU A 23 35.951 -16.853 -5.281 1.00 35.14 C ATOM 275 O GLU A 23 36.730 -16.206 -4.563 1.00 1.53 O ATOM 276 CB GLU A 23 34.916 -15.012 -6.585 1.00 40.41 C ATOM 277 CG GLU A 23 34.509 -14.438 -7.926 1.00 65.24 C ATOM 278 CD GLU A 23 33.685 -13.195 -7.778 1.00 41.23 C ATOM 279 OE1 GLU A 23 32.463 -13.312 -7.547 1.00 12.14 O ATOM 280 OE2 GLU A 23 34.216 -12.077 -7.889 1.00 64.50 O ATOM 0 H GLU A 23 33.656 -17.139 -7.134 1.00 72.13 H new ATOM 0 HA GLU A 23 36.466 -16.311 -7.283 1.00 51.30 H new ATOM 0 HB2 GLU A 23 34.034 -15.080 -5.948 1.00 40.41 H new ATOM 0 HB3 GLU A 23 35.607 -14.322 -6.101 1.00 40.41 H new ATOM 0 HG2 GLU A 23 35.401 -14.214 -8.510 1.00 65.24 H new ATOM 0 HG3 GLU A 23 33.942 -15.184 -8.483 1.00 65.24 H new ATOM 287 N GLN A 24 35.400 -17.982 -4.909 1.00 53.33 N ATOM 288 CA GLN A 24 35.651 -18.590 -3.623 1.00 25.11 C ATOM 289 C GLN A 24 37.013 -19.278 -3.641 1.00 21.45 C ATOM 290 O GLN A 24 37.094 -20.465 -3.914 1.00 14.43 O ATOM 291 CB GLN A 24 34.543 -19.604 -3.290 1.00 75.42 C ATOM 292 CG GLN A 24 33.140 -19.011 -3.301 1.00 1.02 C ATOM 293 CD GLN A 24 32.044 -20.043 -3.104 1.00 43.30 C ATOM 294 OE1 GLN A 24 32.226 -21.060 -2.439 1.00 22.24 O ATOM 295 NE2 GLN A 24 30.902 -19.801 -3.693 1.00 2.23 N ATOM 0 H GLN A 24 34.757 -18.512 -5.497 1.00 53.33 H new ATOM 0 HA GLN A 24 35.653 -17.817 -2.854 1.00 25.11 H new ATOM 0 HB2 GLN A 24 34.586 -20.423 -4.008 1.00 75.42 H new ATOM 0 HB3 GLN A 24 34.739 -20.031 -2.306 1.00 75.42 H new ATOM 0 HG2 GLN A 24 33.066 -18.259 -2.515 1.00 1.02 H new ATOM 0 HG3 GLN A 24 32.979 -18.498 -4.249 1.00 1.02 H new ATOM 0 HE21 GLN A 24 30.780 -18.948 -4.239 1.00 2.23 H new ATOM 0 HE22 GLN A 24 30.133 -20.465 -3.607 1.00 2.23 H new ATOM 304 N GLU A 25 38.065 -18.484 -3.444 1.00 20.02 N ATOM 305 CA GLU A 25 39.466 -18.934 -3.413 1.00 11.33 C ATOM 306 C GLU A 25 39.859 -19.834 -4.582 1.00 22.14 C ATOM 307 O GLU A 25 39.817 -21.065 -4.484 1.00 34.32 O ATOM 308 CB GLU A 25 39.869 -19.560 -2.065 1.00 63.05 C ATOM 309 CG GLU A 25 40.161 -18.559 -0.947 1.00 74.12 C ATOM 310 CD GLU A 25 39.013 -17.637 -0.630 1.00 42.43 C ATOM 311 OE1 GLU A 25 38.145 -17.999 0.197 1.00 41.50 O ATOM 312 OE2 GLU A 25 38.974 -16.510 -1.183 1.00 53.42 O ATOM 0 H GLU A 25 37.969 -17.479 -3.297 1.00 20.02 H new ATOM 0 HA GLU A 25 40.042 -18.016 -3.531 1.00 11.33 H new ATOM 0 HB2 GLU A 25 39.070 -20.224 -1.737 1.00 63.05 H new ATOM 0 HB3 GLU A 25 40.754 -20.178 -2.219 1.00 63.05 H new ATOM 0 HG2 GLU A 25 40.432 -19.107 -0.045 1.00 74.12 H new ATOM 0 HG3 GLU A 25 41.027 -17.960 -1.228 1.00 74.12 H new ATOM 319 N THR A 26 40.196 -19.229 -5.689 1.00 51.52 N ATOM 320 CA THR A 26 40.647 -19.980 -6.823 1.00 53.31 C ATOM 321 C THR A 26 42.073 -20.445 -6.596 1.00 53.35 C ATOM 322 O THR A 26 42.992 -19.628 -6.394 1.00 30.52 O ATOM 323 CB THR A 26 40.527 -19.174 -8.128 1.00 42.31 C ATOM 324 OG1 THR A 26 39.146 -18.825 -8.320 1.00 20.15 O ATOM 325 CG2 THR A 26 41.013 -19.987 -9.330 1.00 70.41 C ATOM 0 H THR A 26 40.166 -18.219 -5.827 1.00 51.52 H new ATOM 0 HA THR A 26 40.003 -20.853 -6.932 1.00 53.31 H new ATOM 0 HB THR A 26 41.148 -18.282 -8.050 1.00 42.31 H new ATOM 0 HG1 THR A 26 39.051 -18.309 -9.148 1.00 20.15 H new ATOM 0 HG21 THR A 26 40.915 -19.390 -10.237 1.00 70.41 H new ATOM 0 HG22 THR A 26 42.058 -20.260 -9.186 1.00 70.41 H new ATOM 0 HG23 THR A 26 40.412 -20.891 -9.425 1.00 70.41 H new ATOM 333 N LEU A 27 42.241 -21.740 -6.593 1.00 5.11 N ATOM 334 CA LEU A 27 43.516 -22.342 -6.363 1.00 60.50 C ATOM 335 C LEU A 27 44.369 -22.233 -7.602 1.00 75.55 C ATOM 336 O LEU A 27 43.875 -22.372 -8.725 1.00 13.21 O ATOM 337 CB LEU A 27 43.341 -23.799 -5.961 1.00 70.13 C ATOM 338 CG LEU A 27 42.510 -24.038 -4.702 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.284 -25.523 -4.488 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.199 -23.433 -3.490 1.00 40.21 C ATOM 0 H LEU A 27 41.487 -22.408 -6.752 1.00 5.11 H new ATOM 0 HA LEU A 27 44.016 -21.817 -5.550 1.00 60.50 H new ATOM 0 HB2 LEU A 27 42.876 -24.333 -6.789 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.328 -24.238 -5.813 1.00 70.13 H new ATOM 0 HG LEU A 27 41.542 -23.554 -4.832 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.690 -25.674 -3.587 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.754 -25.938 -5.346 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.245 -26.025 -4.378 1.00 0.21 H new ATOM 0 HD21 LEU A 27 42.594 -23.612 -2.601 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.179 -23.893 -3.361 1.00 40.21 H new ATOM 0 HD23 LEU A 27 43.319 -22.360 -3.638 1.00 40.21 H new ATOM 352 N VAL A 28 45.627 -22.001 -7.400 1.00 40.25 N ATOM 353 CA VAL A 28 46.557 -21.824 -8.471 1.00 11.42 C ATOM 354 C VAL A 28 47.316 -23.116 -8.681 1.00 51.22 C ATOM 355 O VAL A 28 47.434 -23.937 -7.749 1.00 23.41 O ATOM 356 CB VAL A 28 47.521 -20.645 -8.174 1.00 72.31 C ATOM 357 CG1 VAL A 28 46.729 -19.359 -7.979 1.00 1.12 C ATOM 358 CG2 VAL A 28 48.390 -20.912 -6.957 1.00 61.10 C ATOM 0 H VAL A 28 46.044 -21.928 -6.472 1.00 40.25 H new ATOM 0 HA VAL A 28 46.018 -21.576 -9.385 1.00 11.42 H new ATOM 0 HB VAL A 28 48.184 -20.539 -9.033 1.00 72.31 H new ATOM 0 HG11 VAL A 28 47.415 -18.537 -7.771 1.00 1.12 H new ATOM 0 HG12 VAL A 28 46.163 -19.139 -8.884 1.00 1.12 H new ATOM 0 HG13 VAL A 28 46.041 -19.479 -7.142 1.00 1.12 H new ATOM 0 HG21 VAL A 28 49.049 -20.061 -6.787 1.00 61.10 H new ATOM 0 HG22 VAL A 28 47.756 -21.061 -6.083 1.00 61.10 H new ATOM 0 HG23 VAL A 28 48.989 -21.806 -7.127 1.00 61.10 H new ATOM 368 N ARG A 29 47.815 -23.313 -9.874 1.00 35.24 N ATOM 369 CA ARG A 29 48.458 -24.562 -10.217 1.00 74.24 C ATOM 370 C ARG A 29 49.941 -24.331 -10.331 1.00 40.32 C ATOM 371 O ARG A 29 50.369 -23.503 -11.124 1.00 20.51 O ATOM 372 CB ARG A 29 47.905 -25.095 -11.534 1.00 11.01 C ATOM 373 CG ARG A 29 46.411 -25.387 -11.529 1.00 63.52 C ATOM 374 CD ARG A 29 45.914 -25.778 -12.922 1.00 40.33 C ATOM 375 NE ARG A 29 46.607 -26.961 -13.456 1.00 65.21 N ATOM 376 CZ ARG A 29 46.529 -27.414 -14.723 1.00 15.23 C ATOM 377 NH1 ARG A 29 45.770 -26.789 -15.624 1.00 52.24 N ATOM 378 NH2 ARG A 29 47.223 -28.498 -15.080 1.00 32.15 N ATOM 0 H ARG A 29 47.790 -22.626 -10.627 1.00 35.24 H new ATOM 0 HA ARG A 29 48.261 -25.301 -9.440 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.116 -24.370 -12.320 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.439 -26.010 -11.792 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.199 -26.192 -10.826 1.00 63.52 H new ATOM 0 HG3 ARG A 29 45.868 -24.508 -11.181 1.00 63.52 H new ATOM 0 HD2 ARG A 29 44.843 -25.977 -12.880 1.00 40.33 H new ATOM 0 HD3 ARG A 29 46.056 -24.939 -13.604 1.00 40.33 H new ATOM 0 HE ARG A 29 47.199 -27.484 -12.811 1.00 65.21 H new ATOM 0 HH11 ARG A 29 45.241 -25.959 -15.357 1.00 52.24 H new ATOM 0 HH12 ARG A 29 45.719 -27.141 -16.580 1.00 52.24 H new ATOM 0 HH21 ARG A 29 47.807 -28.978 -14.395 1.00 32.15 H new ATOM 0 HH22 ARG A 29 47.168 -28.846 -16.037 1.00 32.15 H new ATOM 392 N PRO A 30 50.743 -25.028 -9.542 1.00 1.41 N ATOM 393 CA PRO A 30 52.186 -24.823 -9.520 1.00 43.14 C ATOM 394 C PRO A 30 52.905 -25.407 -10.734 1.00 24.23 C ATOM 395 O PRO A 30 52.578 -26.510 -11.205 1.00 23.12 O ATOM 396 CB PRO A 30 52.628 -25.577 -8.263 1.00 54.02 C ATOM 397 CG PRO A 30 51.610 -26.650 -8.081 1.00 53.23 C ATOM 398 CD PRO A 30 50.315 -26.089 -8.594 1.00 55.33 C ATOM 0 HA PRO A 30 52.427 -23.760 -9.531 1.00 43.14 H new ATOM 0 HB2 PRO A 30 53.627 -25.997 -8.385 1.00 54.02 H new ATOM 0 HB3 PRO A 30 52.664 -24.915 -7.398 1.00 54.02 H new ATOM 0 HG2 PRO A 30 51.890 -27.549 -8.630 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.524 -26.931 -7.031 1.00 53.23 H new ATOM 0 HD2 PRO A 30 49.717 -26.853 -9.091 1.00 55.33 H new ATOM 0 HD3 PRO A 30 49.706 -25.683 -7.786 1.00 55.33 H new ATOM 406 N LYS A 31 53.853 -24.664 -11.264 1.00 71.41 N ATOM 407 CA LYS A 31 54.757 -25.208 -12.252 1.00 13.12 C ATOM 408 C LYS A 31 55.753 -26.117 -11.497 1.00 60.43 C ATOM 409 O LYS A 31 55.877 -25.983 -10.261 1.00 12.54 O ATOM 410 CB LYS A 31 55.479 -24.081 -13.021 1.00 45.42 C ATOM 411 CG LYS A 31 54.597 -23.280 -13.971 1.00 33.03 C ATOM 412 CD LYS A 31 55.412 -22.220 -14.709 1.00 44.22 C ATOM 413 CE LYS A 31 54.536 -21.365 -15.618 1.00 72.11 C ATOM 414 NZ LYS A 31 55.297 -20.267 -16.258 1.00 53.45 N ATOM 0 H LYS A 31 54.017 -23.685 -11.028 1.00 71.41 H new ATOM 0 HA LYS A 31 54.215 -25.785 -13.002 1.00 13.12 H new ATOM 0 HB2 LYS A 31 55.924 -23.397 -12.299 1.00 45.42 H new ATOM 0 HB3 LYS A 31 56.298 -24.519 -13.592 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.129 -23.951 -14.691 1.00 33.03 H new ATOM 0 HG3 LYS A 31 53.793 -22.802 -13.411 1.00 33.03 H new ATOM 0 HD2 LYS A 31 55.918 -21.581 -13.985 1.00 44.22 H new ATOM 0 HD3 LYS A 31 56.187 -22.705 -15.302 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.092 -21.995 -16.389 1.00 72.11 H new ATOM 0 HE3 LYS A 31 53.714 -20.945 -15.038 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 54.876 -20.046 -17.183 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 55.264 -19.423 -15.652 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 56.286 -20.561 -16.389 1.00 53.45 H new ATOM 428 N PRO A 32 56.468 -27.041 -12.188 1.00 4.31 N ATOM 429 CA PRO A 32 57.355 -28.042 -11.548 1.00 5.12 C ATOM 430 C PRO A 32 58.337 -27.470 -10.526 1.00 74.20 C ATOM 431 O PRO A 32 58.565 -28.081 -9.489 1.00 50.13 O ATOM 432 CB PRO A 32 58.121 -28.655 -12.734 1.00 54.05 C ATOM 433 CG PRO A 32 57.911 -27.686 -13.832 1.00 52.24 C ATOM 434 CD PRO A 32 56.505 -27.216 -13.648 1.00 71.25 C ATOM 0 HA PRO A 32 56.765 -28.751 -10.967 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.180 -28.777 -12.506 1.00 54.05 H new ATOM 0 HB3 PRO A 32 57.735 -29.641 -12.992 1.00 54.05 H new ATOM 0 HG2 PRO A 32 58.618 -26.858 -13.772 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.049 -28.154 -14.807 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.306 -26.287 -14.182 1.00 71.25 H new ATOM 0 HD3 PRO A 32 55.775 -27.947 -13.996 1.00 71.25 H new ATOM 442 N LEU A 33 58.880 -26.288 -10.794 1.00 43.22 N ATOM 443 CA LEU A 33 59.878 -25.708 -9.909 1.00 61.34 C ATOM 444 C LEU A 33 59.267 -25.290 -8.565 1.00 33.42 C ATOM 445 O LEU A 33 59.879 -25.458 -7.500 1.00 21.42 O ATOM 446 CB LEU A 33 60.614 -24.547 -10.582 1.00 61.22 C ATOM 447 CG LEU A 33 61.353 -24.904 -11.885 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.986 -23.673 -12.501 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.413 -25.974 -11.633 1.00 21.44 C ATOM 0 H LEU A 33 58.648 -25.719 -11.608 1.00 43.22 H new ATOM 0 HA LEU A 33 60.616 -26.482 -9.698 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.894 -23.757 -10.797 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.335 -24.137 -9.875 1.00 61.22 H new ATOM 0 HG LEU A 33 60.620 -25.303 -12.586 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.502 -23.950 -13.420 1.00 51.51 H new ATOM 0 HD12 LEU A 33 61.212 -22.940 -12.727 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.700 -23.242 -11.800 1.00 51.51 H new ATOM 0 HD21 LEU A 33 62.922 -26.210 -12.568 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.138 -25.604 -10.909 1.00 21.44 H new ATOM 0 HD23 LEU A 33 61.937 -26.873 -11.242 1.00 21.44 H new ATOM 461 N LEU A 34 58.050 -24.787 -8.605 1.00 3.45 N ATOM 462 CA LEU A 34 57.367 -24.437 -7.383 1.00 64.14 C ATOM 463 C LEU A 34 56.911 -25.670 -6.675 1.00 22.24 C ATOM 464 O LEU A 34 57.126 -25.799 -5.487 1.00 75.12 O ATOM 465 CB LEU A 34 56.221 -23.445 -7.598 1.00 35.35 C ATOM 466 CG LEU A 34 56.589 -21.961 -7.445 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.737 -21.569 -8.360 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.372 -21.080 -7.682 1.00 52.54 C ATOM 0 H LEU A 34 57.522 -24.614 -9.460 1.00 3.45 H new ATOM 0 HA LEU A 34 58.085 -23.917 -6.749 1.00 64.14 H new ATOM 0 HB2 LEU A 34 55.814 -23.599 -8.598 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.425 -23.678 -6.891 1.00 35.35 H new ATOM 0 HG LEU A 34 56.928 -21.807 -6.421 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.967 -20.513 -8.222 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.616 -22.167 -8.118 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.452 -21.746 -9.397 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.653 -20.033 -7.569 1.00 52.54 H new ATOM 0 HD22 LEU A 34 54.993 -21.247 -8.690 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.597 -21.328 -6.957 1.00 52.54 H new ATOM 480 N LEU A 35 56.343 -26.605 -7.425 1.00 65.12 N ATOM 481 CA LEU A 35 55.906 -27.893 -6.883 1.00 5.32 C ATOM 482 C LEU A 35 57.061 -28.556 -6.123 1.00 54.41 C ATOM 483 O LEU A 35 56.885 -29.076 -5.021 1.00 53.44 O ATOM 484 CB LEU A 35 55.434 -28.795 -8.013 1.00 2.42 C ATOM 485 CG LEU A 35 54.851 -30.139 -7.593 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.639 -29.947 -6.689 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.469 -30.924 -8.812 1.00 71.40 C ATOM 0 H LEU A 35 56.171 -26.496 -8.424 1.00 65.12 H new ATOM 0 HA LEU A 35 55.078 -27.730 -6.193 1.00 5.32 H new ATOM 0 HB2 LEU A 35 54.681 -28.258 -8.590 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.276 -28.979 -8.681 1.00 2.42 H new ATOM 0 HG LEU A 35 55.607 -30.688 -7.032 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.241 -30.920 -6.403 1.00 24.24 H new ATOM 0 HD12 LEU A 35 53.935 -29.399 -5.795 1.00 24.24 H new ATOM 0 HD13 LEU A 35 52.873 -29.384 -7.222 1.00 24.24 H new ATOM 0 HD21 LEU A 35 54.052 -31.885 -8.510 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.725 -30.369 -9.384 1.00 71.40 H new ATOM 0 HD23 LEU A 35 55.352 -31.089 -9.430 1.00 71.40 H new ATOM 499 N LYS A 36 58.242 -28.465 -6.721 1.00 42.34 N ATOM 500 CA LYS A 36 59.497 -28.913 -6.144 1.00 34.14 C ATOM 501 C LYS A 36 59.726 -28.339 -4.739 1.00 62.12 C ATOM 502 O LYS A 36 59.935 -29.090 -3.778 1.00 31.42 O ATOM 503 CB LYS A 36 60.640 -28.461 -7.057 1.00 22.41 C ATOM 504 CG LYS A 36 61.997 -28.439 -6.396 1.00 43.13 C ATOM 505 CD LYS A 36 63.025 -27.784 -7.285 1.00 75.31 C ATOM 506 CE LYS A 36 64.358 -27.687 -6.583 1.00 21.21 C ATOM 507 NZ LYS A 36 65.358 -26.977 -7.394 1.00 23.02 N ATOM 0 H LYS A 36 58.353 -28.063 -7.652 1.00 42.34 H new ATOM 0 HA LYS A 36 59.462 -29.999 -6.057 1.00 34.14 H new ATOM 0 HB2 LYS A 36 60.682 -29.124 -7.921 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.416 -27.462 -7.431 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.935 -27.902 -5.450 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.308 -29.458 -6.164 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.135 -28.358 -8.205 1.00 75.31 H new ATOM 0 HD3 LYS A 36 62.685 -26.788 -7.569 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.230 -27.170 -5.632 1.00 21.21 H new ATOM 0 HE3 LYS A 36 64.721 -28.689 -6.355 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 66.258 -26.933 -6.875 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 65.500 -27.483 -8.291 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.024 -26.012 -7.590 1.00 23.02 H new ATOM 521 N LEU A 37 59.643 -27.024 -4.605 1.00 21.34 N ATOM 522 CA LEU A 37 59.995 -26.408 -3.338 1.00 4.13 C ATOM 523 C LEU A 37 58.855 -26.582 -2.350 1.00 55.22 C ATOM 524 O LEU A 37 59.082 -26.861 -1.185 1.00 44.31 O ATOM 525 CB LEU A 37 60.417 -24.922 -3.516 1.00 20.40 C ATOM 526 CG LEU A 37 59.321 -23.884 -3.790 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.798 -23.279 -2.473 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.827 -22.795 -4.723 1.00 24.22 C ATOM 0 H LEU A 37 59.344 -26.379 -5.336 1.00 21.34 H new ATOM 0 HA LEU A 37 60.870 -26.914 -2.930 1.00 4.13 H new ATOM 0 HB2 LEU A 37 60.947 -24.616 -2.614 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.132 -24.875 -4.337 1.00 20.40 H new ATOM 0 HG LEU A 37 58.491 -24.391 -4.282 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.022 -22.546 -2.692 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.384 -24.070 -1.848 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.618 -22.792 -1.945 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.032 -22.071 -4.902 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.680 -22.292 -4.267 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.133 -23.240 -5.670 1.00 24.22 H new ATOM 540 N LEU A 38 57.633 -26.477 -2.861 1.00 2.01 N ATOM 541 CA LEU A 38 56.408 -26.636 -2.088 1.00 62.52 C ATOM 542 C LEU A 38 56.375 -27.996 -1.405 1.00 61.11 C ATOM 543 O LEU A 38 56.179 -28.094 -0.196 1.00 21.21 O ATOM 544 CB LEU A 38 55.175 -26.476 -3.010 1.00 42.14 C ATOM 545 CG LEU A 38 54.573 -25.060 -3.224 1.00 23.53 C ATOM 546 CD1 LEU A 38 53.801 -24.607 -2.005 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.620 -24.023 -3.549 1.00 34.23 C ATOM 0 H LEU A 38 57.464 -26.274 -3.846 1.00 2.01 H new ATOM 0 HA LEU A 38 56.383 -25.863 -1.319 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.443 -26.871 -3.990 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.384 -27.114 -2.615 1.00 42.14 H new ATOM 0 HG LEU A 38 53.903 -25.148 -4.079 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.391 -23.613 -2.183 1.00 63.33 H new ATOM 0 HD12 LEU A 38 52.987 -25.306 -1.809 1.00 63.33 H new ATOM 0 HD13 LEU A 38 54.468 -24.576 -1.143 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.141 -23.054 -3.688 1.00 34.23 H new ATOM 0 HD22 LEU A 38 56.336 -23.960 -2.730 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.140 -24.305 -4.464 1.00 34.23 H new ATOM 559 N LYS A 39 56.634 -29.030 -2.165 1.00 4.41 N ATOM 560 CA LYS A 39 56.596 -30.386 -1.672 1.00 72.50 C ATOM 561 C LYS A 39 57.700 -30.597 -0.654 1.00 71.11 C ATOM 562 O LYS A 39 57.509 -31.280 0.357 1.00 23.23 O ATOM 563 CB LYS A 39 56.761 -31.342 -2.844 1.00 34.33 C ATOM 564 CG LYS A 39 56.709 -32.821 -2.502 1.00 51.34 C ATOM 565 CD LYS A 39 55.327 -33.244 -2.046 1.00 50.31 C ATOM 566 CE LYS A 39 55.304 -34.709 -1.632 1.00 14.03 C ATOM 567 NZ LYS A 39 55.694 -35.623 -2.733 1.00 31.25 N ATOM 0 H LYS A 39 56.879 -28.955 -3.152 1.00 4.41 H new ATOM 0 HA LYS A 39 55.640 -30.577 -1.184 1.00 72.50 H new ATOM 0 HB2 LYS A 39 55.981 -31.130 -3.575 1.00 34.33 H new ATOM 0 HB3 LYS A 39 57.715 -31.133 -3.327 1.00 34.33 H new ATOM 0 HG2 LYS A 39 56.999 -33.406 -3.374 1.00 51.34 H new ATOM 0 HG3 LYS A 39 57.433 -33.038 -1.717 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.012 -32.622 -1.208 1.00 50.31 H new ATOM 0 HD3 LYS A 39 54.610 -33.080 -2.851 1.00 50.31 H new ATOM 0 HE2 LYS A 39 55.979 -34.854 -0.789 1.00 14.03 H new ATOM 0 HE3 LYS A 39 54.303 -34.969 -1.287 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 55.516 -36.607 -2.447 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 55.135 -35.402 -3.582 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 56.705 -35.501 -2.943 1.00 31.25 H new ATOM 581 N SER A 40 58.817 -29.947 -0.883 1.00 51.14 N ATOM 582 CA SER A 40 59.961 -30.076 -0.026 1.00 42.10 C ATOM 583 C SER A 40 59.778 -29.318 1.305 1.00 14.45 C ATOM 584 O SER A 40 60.449 -29.620 2.302 1.00 42.43 O ATOM 585 CB SER A 40 61.216 -29.619 -0.758 1.00 12.23 C ATOM 586 OG SER A 40 61.384 -30.368 -1.959 1.00 61.15 O ATOM 0 H SER A 40 58.953 -29.314 -1.671 1.00 51.14 H new ATOM 0 HA SER A 40 60.071 -31.130 0.231 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.144 -28.556 -0.990 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.087 -29.747 -0.116 1.00 12.23 H new ATOM 0 HG SER A 40 60.689 -30.115 -2.602 1.00 61.15 H new ATOM 592 N VAL A 41 58.875 -28.346 1.328 1.00 11.22 N ATOM 593 CA VAL A 41 58.626 -27.590 2.547 1.00 71.41 C ATOM 594 C VAL A 41 57.358 -28.032 3.253 1.00 64.32 C ATOM 595 O VAL A 41 56.963 -27.450 4.266 1.00 51.12 O ATOM 596 CB VAL A 41 58.655 -26.057 2.348 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.043 -25.610 1.929 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.630 -25.612 1.325 1.00 74.11 C ATOM 0 H VAL A 41 58.309 -28.065 0.527 1.00 11.22 H new ATOM 0 HA VAL A 41 59.467 -27.826 3.199 1.00 71.41 H new ATOM 0 HB VAL A 41 58.401 -25.591 3.300 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.051 -24.529 1.792 1.00 44.32 H new ATOM 0 HG12 VAL A 41 60.762 -25.883 2.701 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.315 -26.097 0.992 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.677 -24.529 1.210 1.00 74.11 H new ATOM 0 HG22 VAL A 41 57.841 -26.088 0.368 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.633 -25.898 1.661 1.00 74.11 H new ATOM 608 N GLY A 42 56.735 -29.063 2.732 1.00 13.41 N ATOM 609 CA GLY A 42 55.601 -29.637 3.410 1.00 34.34 C ATOM 610 C GLY A 42 54.263 -29.281 2.818 1.00 74.23 C ATOM 611 O GLY A 42 53.272 -29.239 3.534 1.00 22.34 O ATOM 0 H GLY A 42 56.990 -29.515 1.854 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.706 -30.722 3.408 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.618 -29.317 4.452 1.00 34.34 H new ATOM 615 N ALA A 43 54.204 -29.015 1.532 1.00 52.43 N ATOM 616 CA ALA A 43 52.911 -28.757 0.912 1.00 31.35 C ATOM 617 C ALA A 43 52.232 -30.068 0.590 1.00 13.11 C ATOM 618 O ALA A 43 52.701 -30.843 -0.258 1.00 2.23 O ATOM 619 CB ALA A 43 53.029 -27.896 -0.327 1.00 2.41 C ATOM 0 H ALA A 43 55.007 -28.971 0.905 1.00 52.43 H new ATOM 0 HA ALA A 43 52.304 -28.198 1.624 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.039 -27.732 -0.752 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.473 -26.936 -0.062 1.00 2.41 H new ATOM 0 HB3 ALA A 43 53.660 -28.398 -1.060 1.00 2.41 H new ATOM 625 N GLN A 44 51.166 -30.330 1.289 1.00 11.11 N ATOM 626 CA GLN A 44 50.412 -31.557 1.155 1.00 14.10 C ATOM 627 C GLN A 44 49.243 -31.387 0.210 1.00 41.31 C ATOM 628 O GLN A 44 48.576 -32.367 -0.149 1.00 14.35 O ATOM 629 CB GLN A 44 49.913 -32.016 2.518 1.00 34.11 C ATOM 630 CG GLN A 44 51.021 -32.301 3.500 1.00 12.52 C ATOM 631 CD GLN A 44 50.500 -32.878 4.797 1.00 43.54 C ATOM 632 OE1 GLN A 44 50.354 -34.097 4.936 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.238 -32.036 5.753 1.00 5.12 N ATOM 0 H GLN A 44 50.783 -29.688 1.984 1.00 11.11 H new ATOM 0 HA GLN A 44 51.077 -32.314 0.738 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.259 -31.250 2.933 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.310 -32.915 2.391 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.730 -32.998 3.053 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.567 -31.380 3.707 1.00 12.52 H new ATOM 0 HE21 GLN A 44 50.370 -31.036 5.602 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.900 -32.376 6.653 1.00 5.12 H new ATOM 642 N LYS A 45 48.987 -30.160 -0.164 1.00 34.22 N ATOM 643 CA LYS A 45 47.934 -29.831 -1.081 1.00 1.22 C ATOM 644 C LYS A 45 48.480 -29.908 -2.497 1.00 34.45 C ATOM 645 O LYS A 45 49.664 -29.620 -2.727 1.00 73.42 O ATOM 646 CB LYS A 45 47.395 -28.421 -0.786 1.00 41.14 C ATOM 647 CG LYS A 45 46.781 -28.262 0.607 1.00 41.43 C ATOM 648 CD LYS A 45 46.311 -26.826 0.893 1.00 52.41 C ATOM 649 CE LYS A 45 45.162 -26.398 -0.016 1.00 2.42 C ATOM 650 NZ LYS A 45 44.638 -25.054 0.331 1.00 21.35 N ATOM 0 H LYS A 45 49.514 -29.352 0.167 1.00 34.22 H new ATOM 0 HA LYS A 45 47.111 -30.537 -0.969 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.208 -27.703 -0.896 1.00 41.14 H new ATOM 0 HB3 LYS A 45 46.643 -28.168 -1.533 1.00 41.14 H new ATOM 0 HG2 LYS A 45 45.935 -28.942 0.706 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.515 -28.555 1.358 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.995 -26.750 1.933 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.148 -26.140 0.763 1.00 52.41 H new ATOM 0 HE2 LYS A 45 45.503 -26.396 -1.051 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.356 -27.128 0.053 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 43.604 -25.101 0.436 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.063 -24.736 1.226 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.879 -24.382 -0.425 1.00 21.35 H new ATOM 664 N ASP A 46 47.641 -30.304 -3.428 1.00 71.23 N ATOM 665 CA ASP A 46 48.038 -30.433 -4.838 1.00 33.11 C ATOM 666 C ASP A 46 47.926 -29.080 -5.506 1.00 43.41 C ATOM 667 O ASP A 46 48.554 -28.796 -6.520 1.00 45.42 O ATOM 668 CB ASP A 46 47.127 -31.441 -5.549 1.00 22.43 C ATOM 669 CG ASP A 46 47.585 -31.782 -6.950 1.00 54.13 C ATOM 670 OD1 ASP A 46 48.536 -32.580 -7.081 1.00 72.22 O ATOM 671 OD2 ASP A 46 46.972 -31.315 -7.941 1.00 45.24 O ATOM 0 H ASP A 46 46.668 -30.547 -3.245 1.00 71.23 H new ATOM 0 HA ASP A 46 49.067 -30.789 -4.897 1.00 33.11 H new ATOM 0 HB2 ASP A 46 47.079 -32.356 -4.958 1.00 22.43 H new ATOM 0 HB3 ASP A 46 46.116 -31.037 -5.594 1.00 22.43 H new ATOM 676 N THR A 47 47.155 -28.237 -4.880 1.00 73.34 N ATOM 677 CA THR A 47 46.891 -26.908 -5.339 1.00 64.41 C ATOM 678 C THR A 47 46.765 -26.013 -4.142 1.00 71.43 C ATOM 679 O THR A 47 46.444 -26.488 -3.052 1.00 40.44 O ATOM 680 CB THR A 47 45.611 -26.839 -6.184 1.00 20.33 C ATOM 681 OG1 THR A 47 44.603 -27.716 -5.636 1.00 44.41 O ATOM 682 CG2 THR A 47 45.866 -27.156 -7.655 1.00 54.35 C ATOM 0 H THR A 47 46.679 -28.466 -4.008 1.00 73.34 H new ATOM 0 HA THR A 47 47.714 -26.586 -5.977 1.00 64.41 H new ATOM 0 HB THR A 47 45.249 -25.812 -6.143 1.00 20.33 H new ATOM 0 HG1 THR A 47 43.791 -27.662 -6.182 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.929 -27.093 -8.208 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.577 -26.439 -8.064 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.274 -28.163 -7.745 1.00 54.35 H new ATOM 690 N TYR A 48 47.001 -24.750 -4.312 1.00 21.32 N ATOM 691 CA TYR A 48 47.033 -23.860 -3.187 1.00 72.11 C ATOM 692 C TYR A 48 46.635 -22.454 -3.581 1.00 63.32 C ATOM 693 O TYR A 48 46.466 -22.163 -4.763 1.00 44.22 O ATOM 694 CB TYR A 48 48.434 -23.890 -2.558 1.00 30.34 C ATOM 695 CG TYR A 48 49.577 -23.707 -3.554 1.00 40.51 C ATOM 696 CD1 TYR A 48 49.863 -22.470 -4.098 1.00 63.43 C ATOM 697 CD2 TYR A 48 50.365 -24.786 -3.948 1.00 21.34 C ATOM 698 CE1 TYR A 48 50.891 -22.304 -5.000 1.00 12.51 C ATOM 699 CE2 TYR A 48 51.401 -24.622 -4.854 1.00 2.02 C ATOM 700 CZ TYR A 48 51.654 -23.370 -5.375 1.00 2.34 C ATOM 701 OH TYR A 48 52.688 -23.181 -6.269 1.00 72.12 O ATOM 0 H TYR A 48 47.174 -24.310 -5.216 1.00 21.32 H new ATOM 0 HA TYR A 48 46.305 -24.196 -2.449 1.00 72.11 H new ATOM 0 HB2 TYR A 48 48.497 -23.106 -1.803 1.00 30.34 H new ATOM 0 HB3 TYR A 48 48.567 -24.841 -2.042 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.269 -21.615 -3.810 1.00 63.43 H new ATOM 0 HD2 TYR A 48 50.165 -25.766 -3.541 1.00 21.34 H new ATOM 0 HE1 TYR A 48 51.093 -21.326 -5.411 1.00 12.51 H new ATOM 0 HE2 TYR A 48 52.005 -25.467 -5.150 1.00 2.02 H new ATOM 0 HH TYR A 48 53.535 -23.442 -5.850 1.00 72.12 H new ATOM 711 N THR A 49 46.465 -21.606 -2.602 1.00 4.35 N ATOM 712 CA THR A 49 46.145 -20.218 -2.838 1.00 1.34 C ATOM 713 C THR A 49 47.417 -19.389 -2.764 1.00 15.00 C ATOM 714 O THR A 49 48.486 -19.902 -2.376 1.00 52.25 O ATOM 715 CB THR A 49 45.146 -19.683 -1.783 1.00 51.02 C ATOM 716 OG1 THR A 49 45.654 -19.939 -0.471 1.00 64.22 O ATOM 717 CG2 THR A 49 43.777 -20.319 -1.931 1.00 61.52 C ATOM 0 H THR A 49 46.544 -21.855 -1.616 1.00 4.35 H new ATOM 0 HA THR A 49 45.689 -20.140 -3.825 1.00 1.34 H new ATOM 0 HB THR A 49 45.035 -18.610 -1.940 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.022 -19.599 0.197 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.105 -19.917 -1.173 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.379 -20.099 -2.922 1.00 61.52 H new ATOM 0 HG23 THR A 49 43.862 -21.398 -1.805 1.00 61.52 H new ATOM 725 N MET A 50 47.310 -18.115 -3.094 1.00 21.14 N ATOM 726 CA MET A 50 48.439 -17.195 -3.022 1.00 1.43 C ATOM 727 C MET A 50 48.976 -17.051 -1.614 1.00 72.53 C ATOM 728 O MET A 50 50.171 -16.864 -1.421 1.00 74.21 O ATOM 729 CB MET A 50 48.100 -15.821 -3.586 1.00 22.31 C ATOM 730 CG MET A 50 48.032 -15.777 -5.098 1.00 4.50 C ATOM 731 SD MET A 50 49.053 -14.450 -5.770 1.00 33.11 S ATOM 732 CE MET A 50 50.653 -14.880 -5.066 1.00 73.31 C ATOM 0 H MET A 50 46.443 -17.686 -3.419 1.00 21.14 H new ATOM 0 HA MET A 50 49.218 -17.639 -3.641 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.141 -15.499 -3.180 1.00 22.31 H new ATOM 0 HB3 MET A 50 48.847 -15.105 -3.245 1.00 22.31 H new ATOM 0 HG2 MET A 50 48.362 -16.733 -5.506 1.00 4.50 H new ATOM 0 HG3 MET A 50 46.998 -15.636 -5.412 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.443 -14.615 -5.769 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.799 -14.334 -4.134 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.688 -15.951 -4.869 1.00 73.31 H new ATOM 742 N LYS A 51 48.097 -17.183 -0.645 1.00 14.32 N ATOM 743 CA LYS A 51 48.461 -17.046 0.758 1.00 64.44 C ATOM 744 C LYS A 51 49.422 -18.161 1.149 1.00 30.11 C ATOM 745 O LYS A 51 50.488 -17.930 1.728 1.00 14.04 O ATOM 746 CB LYS A 51 47.218 -17.186 1.635 1.00 41.10 C ATOM 747 CG LYS A 51 46.040 -16.313 1.253 1.00 73.21 C ATOM 748 CD LYS A 51 44.878 -16.589 2.184 1.00 42.42 C ATOM 749 CE LYS A 51 43.634 -15.828 1.795 1.00 70.32 C ATOM 750 NZ LYS A 51 42.537 -16.043 2.765 1.00 25.31 N ATOM 0 H LYS A 51 47.110 -17.388 -0.801 1.00 14.32 H new ATOM 0 HA LYS A 51 48.922 -16.068 0.900 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.897 -18.227 1.613 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.495 -16.959 2.664 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.321 -15.261 1.308 1.00 73.21 H new ATOM 0 HG3 LYS A 51 45.747 -16.511 0.222 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.662 -17.657 2.184 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.161 -16.321 3.202 1.00 42.42 H new ATOM 0 HE2 LYS A 51 43.862 -14.764 1.733 1.00 70.32 H new ATOM 0 HE3 LYS A 51 43.310 -16.143 0.803 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 41.710 -16.436 2.272 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 42.850 -16.708 3.501 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 42.280 -15.136 3.205 1.00 25.31 H new ATOM 764 N GLU A 52 49.042 -19.355 0.773 1.00 55.54 N ATOM 765 CA GLU A 52 49.727 -20.563 1.159 1.00 75.23 C ATOM 766 C GLU A 52 51.065 -20.706 0.466 1.00 14.34 C ATOM 767 O GLU A 52 52.021 -21.173 1.062 1.00 34.14 O ATOM 768 CB GLU A 52 48.829 -21.738 0.869 1.00 51.14 C ATOM 769 CG GLU A 52 47.478 -21.578 1.527 1.00 60.21 C ATOM 770 CD GLU A 52 46.504 -22.632 1.140 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.161 -22.730 -0.062 1.00 4.25 O ATOM 772 OE2 GLU A 52 45.999 -23.330 2.023 1.00 34.40 O ATOM 0 H GLU A 52 48.230 -19.519 0.177 1.00 55.54 H new ATOM 0 HA GLU A 52 49.945 -20.521 2.226 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.700 -21.842 -0.208 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.301 -22.654 1.223 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.606 -21.591 2.609 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.069 -20.602 1.266 1.00 60.21 H new ATOM 779 N VAL A 53 51.153 -20.280 -0.774 1.00 43.32 N ATOM 780 CA VAL A 53 52.419 -20.361 -1.480 1.00 51.12 C ATOM 781 C VAL A 53 53.410 -19.451 -0.936 1.00 21.10 C ATOM 782 O VAL A 53 54.497 -19.841 -0.800 1.00 11.23 O ATOM 783 CB VAL A 53 52.297 -20.228 -2.989 1.00 30.31 C ATOM 784 CG1 VAL A 53 51.494 -19.018 -3.401 1.00 1.34 C ATOM 785 CG2 VAL A 53 53.650 -20.277 -3.707 1.00 10.42 C ATOM 0 H VAL A 53 50.382 -19.881 -1.309 1.00 43.32 H new ATOM 0 HA VAL A 53 52.774 -21.377 -1.306 1.00 51.12 H new ATOM 0 HB VAL A 53 51.741 -21.108 -3.313 1.00 30.31 H new ATOM 0 HG11 VAL A 53 51.438 -18.971 -4.489 1.00 1.34 H new ATOM 0 HG12 VAL A 53 50.488 -19.092 -2.989 1.00 1.34 H new ATOM 0 HG13 VAL A 53 51.975 -18.116 -3.023 1.00 1.34 H new ATOM 0 HG21 VAL A 53 53.496 -20.177 -4.781 1.00 10.42 H new ATOM 0 HG22 VAL A 53 54.279 -19.460 -3.353 1.00 10.42 H new ATOM 0 HG23 VAL A 53 54.139 -21.229 -3.498 1.00 10.42 H new ATOM 795 N LEU A 54 53.043 -18.265 -0.567 1.00 70.30 N ATOM 796 CA LEU A 54 54.013 -17.413 0.002 1.00 2.43 C ATOM 797 C LEU A 54 54.388 -17.954 1.385 1.00 14.03 C ATOM 798 O LEU A 54 55.542 -18.011 1.715 1.00 21.52 O ATOM 799 CB LEU A 54 53.591 -15.927 -0.043 1.00 11.33 C ATOM 800 CG LEU A 54 52.511 -15.427 0.908 1.00 21.01 C ATOM 801 CD1 LEU A 54 53.144 -14.797 2.095 1.00 70.35 C ATOM 802 CD2 LEU A 54 51.584 -14.470 0.194 1.00 72.44 C ATOM 0 H LEU A 54 52.102 -17.880 -0.650 1.00 70.30 H new ATOM 0 HA LEU A 54 54.924 -17.419 -0.597 1.00 2.43 H new ATOM 0 HB2 LEU A 54 54.484 -15.328 0.133 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.258 -15.712 -1.058 1.00 11.33 H new ATOM 0 HG LEU A 54 51.909 -16.268 1.251 1.00 21.01 H new ATOM 0 HD11 LEU A 54 52.370 -14.440 2.774 1.00 70.35 H new ATOM 0 HD12 LEU A 54 53.766 -15.530 2.608 1.00 70.35 H new ATOM 0 HD13 LEU A 54 53.761 -13.957 1.775 1.00 70.35 H new ATOM 0 HD21 LEU A 54 50.818 -14.121 0.886 1.00 72.44 H new ATOM 0 HD22 LEU A 54 52.155 -13.618 -0.175 1.00 72.44 H new ATOM 0 HD23 LEU A 54 51.110 -14.980 -0.645 1.00 72.44 H new ATOM 814 N PHE A 55 53.407 -18.484 2.112 1.00 3.44 N ATOM 815 CA PHE A 55 53.649 -19.130 3.414 1.00 31.34 C ATOM 816 C PHE A 55 54.722 -20.236 3.266 1.00 34.30 C ATOM 817 O PHE A 55 55.742 -20.242 3.977 1.00 13.01 O ATOM 818 CB PHE A 55 52.333 -19.736 3.938 1.00 43.03 C ATOM 819 CG PHE A 55 52.424 -20.423 5.273 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.383 -19.690 6.445 1.00 13.12 C ATOM 821 CD2 PHE A 55 52.524 -21.804 5.354 1.00 43.53 C ATOM 822 CE1 PHE A 55 52.441 -20.319 7.672 1.00 72.04 C ATOM 823 CE2 PHE A 55 52.587 -22.437 6.577 1.00 44.21 C ATOM 824 CZ PHE A 55 52.545 -21.693 7.738 1.00 42.14 C ATOM 0 H PHE A 55 52.428 -18.482 1.825 1.00 3.44 H new ATOM 0 HA PHE A 55 54.010 -18.386 4.124 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.590 -18.942 4.007 1.00 43.03 H new ATOM 0 HB3 PHE A 55 51.966 -20.453 3.204 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.305 -18.614 6.400 1.00 13.12 H new ATOM 0 HD2 PHE A 55 52.553 -22.391 4.448 1.00 43.53 H new ATOM 0 HE1 PHE A 55 52.405 -19.736 8.580 1.00 72.04 H new ATOM 0 HE2 PHE A 55 52.669 -23.513 6.626 1.00 44.21 H new ATOM 0 HZ PHE A 55 52.594 -22.186 8.698 1.00 42.14 H new ATOM 834 N TYR A 56 54.497 -21.135 2.321 1.00 63.30 N ATOM 835 CA TYR A 56 55.418 -22.221 2.042 1.00 1.22 C ATOM 836 C TYR A 56 56.667 -21.761 1.323 1.00 62.54 C ATOM 837 O TYR A 56 57.745 -22.295 1.565 1.00 21.03 O ATOM 838 CB TYR A 56 54.743 -23.365 1.298 1.00 51.34 C ATOM 839 CG TYR A 56 53.812 -24.156 2.173 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.309 -25.121 3.031 1.00 33.42 C ATOM 841 CD2 TYR A 56 52.454 -23.923 2.164 1.00 1.33 C ATOM 842 CE1 TYR A 56 53.469 -25.836 3.855 1.00 32.12 C ATOM 843 CE2 TYR A 56 51.608 -24.624 2.982 1.00 50.53 C ATOM 844 CZ TYR A 56 52.119 -25.580 3.828 1.00 61.21 C ATOM 845 OH TYR A 56 51.274 -26.283 4.645 1.00 44.45 O ATOM 0 H TYR A 56 53.669 -21.131 1.726 1.00 63.30 H new ATOM 0 HA TYR A 56 55.736 -22.600 3.013 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.186 -22.964 0.451 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.506 -24.029 0.892 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.371 -25.316 3.055 1.00 33.42 H new ATOM 0 HD2 TYR A 56 52.049 -23.174 1.500 1.00 1.33 H new ATOM 0 HE1 TYR A 56 53.867 -26.591 4.516 1.00 32.12 H new ATOM 0 HE2 TYR A 56 50.546 -24.427 2.963 1.00 50.53 H new ATOM 0 HH TYR A 56 50.353 -25.979 4.503 1.00 44.45 H new ATOM 855 N LEU A 57 56.534 -20.779 0.444 1.00 33.41 N ATOM 856 CA LEU A 57 57.682 -20.225 -0.244 1.00 40.31 C ATOM 857 C LEU A 57 58.672 -19.674 0.804 1.00 40.54 C ATOM 858 O LEU A 57 59.881 -19.894 0.727 1.00 5.14 O ATOM 859 CB LEU A 57 57.247 -19.121 -1.246 1.00 53.03 C ATOM 860 CG LEU A 57 58.138 -18.876 -2.482 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.472 -17.897 -3.423 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.499 -18.358 -2.109 1.00 3.30 C ATOM 0 H LEU A 57 55.642 -20.352 0.193 1.00 33.41 H new ATOM 0 HA LEU A 57 58.173 -21.006 -0.824 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.245 -19.366 -1.599 1.00 53.03 H new ATOM 0 HB3 LEU A 57 57.171 -18.182 -0.697 1.00 53.03 H new ATOM 0 HG LEU A 57 58.268 -19.839 -2.975 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.112 -17.733 -4.290 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.514 -18.301 -3.750 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.310 -16.950 -2.908 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.089 -18.201 -3.012 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.395 -17.413 -1.575 1.00 3.30 H new ATOM 0 HD23 LEU A 57 60.001 -19.083 -1.469 1.00 3.30 H new ATOM 874 N GLY A 58 58.111 -19.024 1.815 1.00 34.05 N ATOM 875 CA GLY A 58 58.885 -18.451 2.898 1.00 74.30 C ATOM 876 C GLY A 58 59.608 -19.496 3.704 1.00 10.41 C ATOM 877 O GLY A 58 60.723 -19.254 4.163 1.00 32.52 O ATOM 0 H GLY A 58 57.105 -18.881 1.904 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.609 -17.746 2.490 1.00 74.30 H new ATOM 0 HA3 GLY A 58 58.223 -17.884 3.553 1.00 74.30 H new ATOM 881 N GLN A 59 58.978 -20.667 3.861 1.00 63.23 N ATOM 882 CA GLN A 59 59.591 -21.809 4.564 1.00 64.13 C ATOM 883 C GLN A 59 60.928 -22.133 3.903 1.00 12.12 C ATOM 884 O GLN A 59 61.950 -22.290 4.567 1.00 60.00 O ATOM 885 CB GLN A 59 58.700 -23.057 4.463 1.00 61.45 C ATOM 886 CG GLN A 59 57.280 -22.892 4.972 1.00 71.21 C ATOM 887 CD GLN A 59 57.183 -22.664 6.451 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.003 -23.132 7.223 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.194 -21.940 6.851 1.00 73.55 N ATOM 0 H GLN A 59 58.039 -20.852 3.510 1.00 63.23 H new ATOM 0 HA GLN A 59 59.719 -21.540 5.613 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.659 -23.368 3.419 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.174 -23.866 5.019 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.815 -22.053 4.454 1.00 71.21 H new ATOM 0 HG3 GLN A 59 56.707 -23.783 4.714 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.529 -21.566 6.174 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.077 -21.741 7.844 1.00 73.55 H new ATOM 898 N TYR A 60 60.903 -22.160 2.577 1.00 52.35 N ATOM 899 CA TYR A 60 62.064 -22.470 1.759 1.00 12.25 C ATOM 900 C TYR A 60 63.169 -21.419 1.928 1.00 54.12 C ATOM 901 O TYR A 60 64.348 -21.756 2.074 1.00 53.15 O ATOM 902 CB TYR A 60 61.642 -22.593 0.280 1.00 33.44 C ATOM 903 CG TYR A 60 62.773 -22.898 -0.679 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.356 -24.156 -0.718 1.00 22.44 C ATOM 905 CD2 TYR A 60 63.260 -21.922 -1.538 1.00 3.25 C ATOM 906 CE1 TYR A 60 64.392 -24.432 -1.587 1.00 63.13 C ATOM 907 CE2 TYR A 60 64.294 -22.191 -2.409 1.00 41.23 C ATOM 908 CZ TYR A 60 64.855 -23.446 -2.431 1.00 64.01 C ATOM 909 OH TYR A 60 65.892 -23.718 -3.293 1.00 62.05 O ATOM 0 H TYR A 60 60.063 -21.964 2.033 1.00 52.35 H new ATOM 0 HA TYR A 60 62.474 -23.424 2.092 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.891 -23.378 0.195 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.166 -21.662 -0.026 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.994 -24.931 -0.059 1.00 22.44 H new ATOM 0 HD2 TYR A 60 62.821 -20.935 -1.524 1.00 3.25 H new ATOM 0 HE1 TYR A 60 64.838 -25.416 -1.605 1.00 63.13 H new ATOM 0 HE2 TYR A 60 64.661 -21.420 -3.070 1.00 41.23 H new ATOM 0 HH TYR A 60 66.469 -22.929 -3.370 1.00 62.05 H new ATOM 919 N ILE A 61 62.779 -20.163 1.970 1.00 22.33 N ATOM 920 CA ILE A 61 63.733 -19.066 2.061 1.00 54.32 C ATOM 921 C ILE A 61 64.346 -19.059 3.457 1.00 22.41 C ATOM 922 O ILE A 61 65.533 -18.759 3.629 1.00 45.34 O ATOM 923 CB ILE A 61 63.044 -17.704 1.802 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.202 -17.767 0.540 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.082 -16.571 1.645 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.478 -16.480 0.221 1.00 12.42 C ATOM 0 H ILE A 61 61.802 -19.870 1.943 1.00 22.33 H new ATOM 0 HA ILE A 61 64.504 -19.211 1.304 1.00 54.32 H new ATOM 0 HB ILE A 61 62.411 -17.493 2.664 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.844 -18.029 -0.301 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.470 -18.568 0.643 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.567 -15.628 1.464 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.675 -16.492 2.556 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.738 -16.793 0.803 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.899 -16.605 -0.694 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.808 -16.226 1.043 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.204 -15.679 0.084 1.00 12.42 H new ATOM 938 N MET A 62 63.528 -19.416 4.438 1.00 72.44 N ATOM 939 CA MET A 62 63.957 -19.512 5.828 1.00 41.23 C ATOM 940 C MET A 62 64.895 -20.663 6.048 1.00 61.21 C ATOM 941 O MET A 62 65.970 -20.493 6.594 1.00 12.42 O ATOM 942 CB MET A 62 62.772 -19.663 6.799 1.00 32.32 C ATOM 943 CG MET A 62 62.026 -18.389 7.129 1.00 13.52 C ATOM 944 SD MET A 62 63.040 -17.202 8.059 1.00 44.31 S ATOM 945 CE MET A 62 63.400 -18.130 9.557 1.00 63.31 C ATOM 0 H MET A 62 62.545 -19.648 4.292 1.00 72.44 H new ATOM 0 HA MET A 62 64.472 -18.574 6.035 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.066 -20.375 6.373 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.141 -20.097 7.728 1.00 32.32 H new ATOM 0 HG2 MET A 62 61.685 -17.923 6.205 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.137 -18.634 7.710 1.00 13.52 H new ATOM 0 HE1 MET A 62 63.327 -17.469 10.421 1.00 63.31 H new ATOM 0 HE2 MET A 62 62.683 -18.945 9.661 1.00 63.31 H new ATOM 0 HE3 MET A 62 64.409 -18.539 9.498 1.00 63.31 H new ATOM 955 N THR A 63 64.500 -21.821 5.577 1.00 24.30 N ATOM 956 CA THR A 63 65.227 -23.059 5.856 1.00 13.21 C ATOM 957 C THR A 63 66.628 -23.071 5.213 1.00 64.20 C ATOM 958 O THR A 63 67.583 -23.623 5.774 1.00 74.44 O ATOM 959 CB THR A 63 64.392 -24.332 5.458 1.00 32.20 C ATOM 960 OG1 THR A 63 65.017 -25.531 5.939 1.00 73.21 O ATOM 961 CG2 THR A 63 64.219 -24.452 3.954 1.00 71.34 C ATOM 0 H THR A 63 63.673 -21.943 4.993 1.00 24.30 H new ATOM 0 HA THR A 63 65.376 -23.096 6.935 1.00 13.21 H new ATOM 0 HB THR A 63 63.412 -24.211 5.920 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.478 -26.307 5.680 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.637 -25.345 3.725 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.698 -23.572 3.576 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.198 -24.526 3.480 1.00 71.34 H new ATOM 969 N LYS A 64 66.758 -22.427 4.072 1.00 74.50 N ATOM 970 CA LYS A 64 68.037 -22.383 3.367 1.00 35.22 C ATOM 971 C LYS A 64 68.770 -21.107 3.729 1.00 24.12 C ATOM 972 O LYS A 64 69.967 -20.968 3.483 1.00 50.03 O ATOM 973 CB LYS A 64 67.804 -22.409 1.863 1.00 41.22 C ATOM 974 CG LYS A 64 66.912 -23.531 1.373 1.00 22.42 C ATOM 975 CD LYS A 64 67.502 -24.915 1.604 1.00 13.51 C ATOM 976 CE LYS A 64 66.536 -25.990 1.132 1.00 12.10 C ATOM 977 NZ LYS A 64 67.065 -27.360 1.310 1.00 42.24 N ATOM 0 H LYS A 64 66.000 -21.926 3.608 1.00 74.50 H new ATOM 0 HA LYS A 64 68.631 -23.250 3.658 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.365 -21.458 1.562 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.769 -22.487 1.362 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.948 -23.466 1.878 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.724 -23.397 0.308 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.448 -25.008 1.070 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.719 -25.052 2.663 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.598 -25.894 1.680 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.308 -25.829 0.079 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.364 -28.050 0.971 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 67.945 -27.466 0.766 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.258 -27.529 2.318 1.00 42.24 H new ATOM 991 N ARG A 65 68.020 -20.189 4.313 1.00 62.41 N ATOM 992 CA ARG A 65 68.493 -18.863 4.697 1.00 10.24 C ATOM 993 C ARG A 65 69.009 -18.102 3.493 1.00 55.32 C ATOM 994 O ARG A 65 70.205 -17.842 3.347 1.00 33.21 O ATOM 995 CB ARG A 65 69.514 -18.842 5.858 1.00 10.13 C ATOM 996 CG ARG A 65 68.979 -19.299 7.214 1.00 12.01 C ATOM 997 CD ARG A 65 68.969 -20.812 7.360 1.00 0.21 C ATOM 998 NE ARG A 65 70.330 -21.361 7.364 1.00 35.32 N ATOM 999 CZ ARG A 65 70.658 -22.603 7.724 1.00 62.31 C ATOM 1000 NH1 ARG A 65 69.709 -23.509 7.957 1.00 53.35 N ATOM 1001 NH2 ARG A 65 71.938 -22.945 7.814 1.00 23.34 N ATOM 0 H ARG A 65 67.038 -20.346 4.541 1.00 62.41 H new ATOM 0 HA ARG A 65 67.615 -18.354 5.095 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.358 -19.476 5.588 1.00 10.13 H new ATOM 0 HB3 ARG A 65 69.898 -17.827 5.962 1.00 10.13 H new ATOM 0 HG2 ARG A 65 69.590 -18.866 8.006 1.00 12.01 H new ATOM 0 HG3 ARG A 65 67.966 -18.918 7.348 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.462 -21.086 8.285 1.00 0.21 H new ATOM 0 HD3 ARG A 65 68.400 -21.254 6.542 1.00 0.21 H new ATOM 0 HE ARG A 65 71.086 -20.743 7.068 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.726 -23.254 7.860 1.00 53.35 H new ATOM 0 HH12 ARG A 65 69.966 -24.457 8.232 1.00 53.35 H new ATOM 0 HH21 ARG A 65 72.665 -22.259 7.608 1.00 23.34 H new ATOM 0 HH22 ARG A 65 72.194 -23.893 8.089 1.00 23.34 H new ATOM 1015 N LEU A 66 68.102 -17.792 2.611 1.00 53.51 N ATOM 1016 CA LEU A 66 68.435 -17.095 1.382 1.00 71.15 C ATOM 1017 C LEU A 66 68.257 -15.598 1.571 1.00 32.04 C ATOM 1018 O LEU A 66 68.455 -14.804 0.652 1.00 73.22 O ATOM 1019 CB LEU A 66 67.547 -17.601 0.242 1.00 33.23 C ATOM 1020 CG LEU A 66 67.611 -19.105 -0.041 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.587 -19.498 -1.090 1.00 34.12 C ATOM 1022 CD2 LEU A 66 69.012 -19.519 -0.481 1.00 42.44 C ATOM 0 H LEU A 66 67.111 -18.010 2.714 1.00 53.51 H new ATOM 0 HA LEU A 66 69.477 -17.291 1.127 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.514 -17.337 0.468 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.820 -17.068 -0.669 1.00 33.23 H new ATOM 0 HG LEU A 66 67.376 -19.631 0.884 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.650 -20.570 -1.276 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.587 -19.249 -0.734 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.788 -18.957 -2.015 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.030 -20.591 -0.676 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.282 -18.981 -1.390 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.726 -19.281 0.307 1.00 42.44 H new ATOM 1034 N TYR A 67 67.891 -15.221 2.767 1.00 50.33 N ATOM 1035 CA TYR A 67 67.657 -13.837 3.086 1.00 63.44 C ATOM 1036 C TYR A 67 68.918 -13.196 3.656 1.00 41.21 C ATOM 1037 O TYR A 67 69.907 -13.894 3.927 1.00 0.14 O ATOM 1038 CB TYR A 67 66.459 -13.682 4.039 1.00 32.51 C ATOM 1039 CG TYR A 67 66.620 -14.418 5.344 1.00 55.05 C ATOM 1040 CD1 TYR A 67 67.258 -13.821 6.417 1.00 64.31 C ATOM 1041 CD2 TYR A 67 66.148 -15.715 5.494 1.00 24.21 C ATOM 1042 CE1 TYR A 67 67.423 -14.496 7.609 1.00 44.51 C ATOM 1043 CE2 TYR A 67 66.311 -16.397 6.682 1.00 3.00 C ATOM 1044 CZ TYR A 67 66.948 -15.782 7.734 1.00 62.24 C ATOM 1045 OH TYR A 67 67.114 -16.456 8.922 1.00 52.04 O ATOM 0 H TYR A 67 67.747 -15.863 3.547 1.00 50.33 H new ATOM 0 HA TYR A 67 67.405 -13.311 2.165 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.307 -12.623 4.247 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.560 -14.041 3.539 1.00 32.51 H new ATOM 0 HD1 TYR A 67 67.632 -12.812 6.320 1.00 64.31 H new ATOM 0 HD2 TYR A 67 65.646 -16.197 4.668 1.00 24.21 H new ATOM 0 HE1 TYR A 67 67.922 -14.018 8.439 1.00 44.51 H new ATOM 0 HE2 TYR A 67 65.941 -17.406 6.785 1.00 3.00 H new ATOM 0 HH TYR A 67 66.722 -17.351 8.848 1.00 52.04 H new ATOM 1055 N ASP A 68 68.881 -11.903 3.843 1.00 63.44 N ATOM 1056 CA ASP A 68 70.020 -11.167 4.364 1.00 21.32 C ATOM 1057 C ASP A 68 70.135 -11.387 5.861 1.00 52.35 C ATOM 1058 O ASP A 68 69.139 -11.554 6.547 1.00 13.34 O ATOM 1059 CB ASP A 68 69.875 -9.690 4.069 1.00 1.00 C ATOM 1060 CG ASP A 68 71.102 -8.887 4.434 1.00 51.10 C ATOM 1061 OD1 ASP A 68 71.258 -8.556 5.591 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.931 -8.584 3.563 1.00 62.33 O ATOM 0 H ASP A 68 68.066 -11.324 3.641 1.00 63.44 H new ATOM 0 HA ASP A 68 70.924 -11.532 3.877 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.664 -9.557 3.008 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.017 -9.299 4.616 1.00 1.00 H new ATOM 1067 N GLU A 69 71.335 -11.358 6.361 1.00 63.22 N ATOM 1068 CA GLU A 69 71.587 -11.670 7.743 1.00 62.14 C ATOM 1069 C GLU A 69 71.300 -10.491 8.684 1.00 64.00 C ATOM 1070 O GLU A 69 71.073 -10.698 9.884 1.00 30.11 O ATOM 1071 CB GLU A 69 73.002 -12.215 7.900 1.00 42.41 C ATOM 1072 CG GLU A 69 74.076 -11.290 7.389 1.00 61.33 C ATOM 1073 CD GLU A 69 75.408 -11.951 7.324 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.696 -12.615 6.318 1.00 52.31 O ATOM 1075 OE2 GLU A 69 76.194 -11.819 8.275 1.00 24.54 O ATOM 0 H GLU A 69 72.169 -11.118 5.825 1.00 63.22 H new ATOM 0 HA GLU A 69 70.885 -12.447 8.046 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.186 -12.421 8.954 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.075 -13.166 7.372 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.802 -10.932 6.397 1.00 61.33 H new ATOM 0 HG3 GLU A 69 74.138 -10.416 8.037 1.00 61.33 H new ATOM 1082 N LYS A 70 71.305 -9.273 8.151 1.00 21.31 N ATOM 1083 CA LYS A 70 70.986 -8.095 8.924 1.00 43.13 C ATOM 1084 C LYS A 70 69.657 -7.490 8.483 1.00 3.23 C ATOM 1085 O LYS A 70 68.959 -6.844 9.278 1.00 14.52 O ATOM 1086 CB LYS A 70 72.099 -7.022 8.870 1.00 51.11 C ATOM 1087 CG LYS A 70 72.712 -6.803 7.528 1.00 5.05 C ATOM 1088 CD LYS A 70 73.907 -7.677 7.343 1.00 31.00 C ATOM 1089 CE LYS A 70 74.399 -7.618 5.929 1.00 65.43 C ATOM 1090 NZ LYS A 70 74.831 -6.265 5.519 1.00 33.03 N ATOM 0 H LYS A 70 71.530 -9.084 7.174 1.00 21.31 H new ATOM 0 HA LYS A 70 70.903 -8.426 9.959 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.686 -6.076 9.221 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.887 -7.304 9.569 1.00 51.11 H new ATOM 0 HG2 LYS A 70 71.978 -7.013 6.749 1.00 5.05 H new ATOM 0 HG3 LYS A 70 73.000 -5.757 7.421 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.700 -7.364 8.022 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.654 -8.705 7.602 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.233 -8.310 5.812 1.00 65.43 H new ATOM 0 HE3 LYS A 70 73.607 -7.958 5.261 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 75.269 -6.311 4.577 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 74.006 -5.632 5.487 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 75.522 -5.899 6.205 1.00 33.03 H new ATOM 1104 N GLN A 71 69.301 -7.684 7.228 1.00 50.03 N ATOM 1105 CA GLN A 71 68.077 -7.143 6.700 1.00 5.34 C ATOM 1106 C GLN A 71 67.165 -8.267 6.314 1.00 62.15 C ATOM 1107 O GLN A 71 67.213 -8.755 5.193 1.00 64.52 O ATOM 1108 CB GLN A 71 68.325 -6.278 5.470 1.00 3.32 C ATOM 1109 CG GLN A 71 69.268 -5.120 5.663 1.00 21.51 C ATOM 1110 CD GLN A 71 69.387 -4.303 4.403 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.243 -4.554 3.560 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.523 -3.339 4.250 1.00 3.50 N ATOM 0 H GLN A 71 69.851 -8.218 6.555 1.00 50.03 H new ATOM 0 HA GLN A 71 67.627 -6.522 7.475 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.717 -6.913 4.676 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.368 -5.889 5.124 1.00 3.32 H new ATOM 0 HG2 GLN A 71 68.912 -4.489 6.477 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.251 -5.491 5.954 1.00 21.51 H new ATOM 0 HE21 GLN A 71 67.826 -3.160 4.972 1.00 3.50 H new ATOM 0 HE22 GLN A 71 68.544 -2.764 3.408 1.00 3.50 H new ATOM 1121 N GLN A 72 66.344 -8.689 7.218 1.00 33.03 N ATOM 1122 CA GLN A 72 65.472 -9.795 6.948 1.00 64.41 C ATOM 1123 C GLN A 72 64.359 -9.460 5.969 1.00 73.12 C ATOM 1124 O GLN A 72 63.719 -10.342 5.438 1.00 1.14 O ATOM 1125 CB GLN A 72 64.995 -10.462 8.223 1.00 2.34 C ATOM 1126 CG GLN A 72 66.096 -11.297 8.861 1.00 64.34 C ATOM 1127 CD GLN A 72 65.699 -11.924 10.164 1.00 20.23 C ATOM 1128 OE1 GLN A 72 65.141 -13.024 10.199 1.00 21.44 O ATOM 1129 NE2 GLN A 72 66.010 -11.270 11.241 1.00 52.04 N ATOM 0 H GLN A 72 66.255 -8.288 8.152 1.00 33.03 H new ATOM 0 HA GLN A 72 66.068 -10.544 6.425 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.658 -9.702 8.928 1.00 2.34 H new ATOM 0 HB3 GLN A 72 64.136 -11.097 8.004 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.393 -12.082 8.166 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.970 -10.667 9.023 1.00 64.34 H new ATOM 0 HE21 GLN A 72 66.471 -10.363 11.172 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.793 -11.663 12.157 1.00 52.04 H new ATOM 1138 N HIS A 73 64.121 -8.176 5.719 1.00 20.12 N ATOM 1139 CA HIS A 73 63.185 -7.811 4.668 1.00 23.35 C ATOM 1140 C HIS A 73 63.843 -7.861 3.270 1.00 72.14 C ATOM 1141 O HIS A 73 63.217 -7.489 2.263 1.00 10.11 O ATOM 1142 CB HIS A 73 62.463 -6.442 4.927 1.00 41.31 C ATOM 1143 CG HIS A 73 63.284 -5.168 4.875 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.135 -4.150 5.791 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.164 -4.707 3.960 1.00 65.33 C ATOM 1146 CE1 HIS A 73 63.883 -3.131 5.450 1.00 3.33 C ATOM 1147 NE2 HIS A 73 64.523 -3.442 4.333 1.00 73.14 N ATOM 0 H HIS A 73 64.550 -7.394 6.214 1.00 20.12 H new ATOM 0 HA HIS A 73 62.401 -8.568 4.689 1.00 23.35 H new ATOM 0 HB2 HIS A 73 61.659 -6.348 4.197 1.00 41.31 H new ATOM 0 HB3 HIS A 73 61.996 -6.495 5.910 1.00 41.31 H new ATOM 0 HD1 HIS A 73 62.532 -4.185 6.613 1.00 32.14 H new ATOM 0 HD2 HIS A 73 64.520 -5.241 3.091 1.00 65.33 H new ATOM 0 HE1 HIS A 73 63.964 -2.198 5.987 1.00 3.33 H new ATOM 1155 N ILE A 74 65.081 -8.318 3.228 1.00 50.14 N ATOM 1156 CA ILE A 74 65.860 -8.440 2.005 1.00 22.31 C ATOM 1157 C ILE A 74 66.204 -9.899 1.762 1.00 55.40 C ATOM 1158 O ILE A 74 66.661 -10.599 2.670 1.00 73.00 O ATOM 1159 CB ILE A 74 67.190 -7.607 2.075 1.00 31.00 C ATOM 1160 CG1 ILE A 74 66.908 -6.111 2.143 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.127 -7.914 0.915 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.097 -5.595 0.979 1.00 73.44 C ATOM 0 H ILE A 74 65.586 -8.622 4.061 1.00 50.14 H new ATOM 0 HA ILE A 74 65.254 -8.049 1.188 1.00 22.31 H new ATOM 0 HB ILE A 74 67.692 -7.908 2.994 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.378 -5.892 3.070 1.00 41.50 H new ATOM 0 HG13 ILE A 74 67.855 -5.573 2.182 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.032 -7.313 1.009 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.391 -8.972 0.930 1.00 3.51 H new ATOM 0 HG23 ILE A 74 67.631 -7.677 -0.026 1.00 3.51 H new ATOM 0 HD11 ILE A 74 65.935 -4.523 1.095 1.00 73.44 H new ATOM 0 HD12 ILE A 74 66.635 -5.782 0.049 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.135 -6.106 0.951 1.00 73.44 H new ATOM 1174 N VAL A 75 65.962 -10.365 0.560 1.00 45.43 N ATOM 1175 CA VAL A 75 66.306 -11.708 0.197 1.00 24.42 C ATOM 1176 C VAL A 75 67.254 -11.672 -0.981 1.00 52.54 C ATOM 1177 O VAL A 75 67.046 -10.919 -1.924 1.00 42.31 O ATOM 1178 CB VAL A 75 65.074 -12.568 -0.175 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.472 -14.021 -0.363 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.981 -12.443 0.861 1.00 11.12 C ATOM 0 H VAL A 75 65.524 -9.824 -0.185 1.00 45.43 H new ATOM 0 HA VAL A 75 66.771 -12.169 1.068 1.00 24.42 H new ATOM 0 HB VAL A 75 64.680 -12.193 -1.119 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.592 -14.609 -0.624 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.209 -14.096 -1.163 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.902 -14.403 0.563 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.131 -13.059 0.569 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.356 -12.777 1.828 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.666 -11.402 0.934 1.00 11.12 H new ATOM 1190 N TYR A 76 68.289 -12.444 -0.930 1.00 5.33 N ATOM 1191 CA TYR A 76 69.213 -12.492 -2.023 1.00 2.23 C ATOM 1192 C TYR A 76 69.004 -13.722 -2.824 1.00 20.23 C ATOM 1193 O TYR A 76 68.543 -13.646 -3.957 1.00 22.13 O ATOM 1194 CB TYR A 76 70.665 -12.392 -1.557 1.00 71.42 C ATOM 1195 CG TYR A 76 71.000 -11.043 -1.029 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.300 -10.011 -1.897 1.00 72.11 C ATOM 1197 CD2 TYR A 76 70.985 -10.782 0.321 1.00 34.51 C ATOM 1198 CE1 TYR A 76 71.581 -8.750 -1.430 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.256 -9.527 0.794 1.00 53.13 C ATOM 1200 CZ TYR A 76 71.552 -8.515 -0.079 1.00 44.23 C ATOM 1201 OH TYR A 76 71.806 -7.253 0.403 1.00 11.02 O ATOM 0 H TYR A 76 68.519 -13.052 -0.144 1.00 5.33 H new ATOM 0 HA TYR A 76 69.018 -11.623 -2.651 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.847 -13.138 -0.783 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.328 -12.628 -2.389 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.314 -10.199 -2.960 1.00 72.11 H new ATOM 0 HD2 TYR A 76 70.757 -11.577 1.016 1.00 34.51 H new ATOM 0 HE1 TYR A 76 71.822 -7.953 -2.118 1.00 3.12 H new ATOM 0 HE2 TYR A 76 71.236 -9.335 1.857 1.00 53.13 H new ATOM 0 HH TYR A 76 71.745 -7.258 1.381 1.00 11.02 H new ATOM 1211 N CYS A 77 69.323 -14.849 -2.210 1.00 54.53 N ATOM 1212 CA CYS A 77 69.308 -16.197 -2.765 1.00 52.14 C ATOM 1213 C CYS A 77 70.435 -16.345 -3.779 1.00 4.33 C ATOM 1214 O CYS A 77 71.290 -17.206 -3.625 1.00 62.20 O ATOM 1215 CB CYS A 77 67.901 -16.678 -3.284 1.00 61.41 C ATOM 1216 SG CYS A 77 67.294 -15.985 -4.842 1.00 54.33 S ATOM 0 H CYS A 77 69.623 -14.848 -1.235 1.00 54.53 H new ATOM 0 HA CYS A 77 69.499 -16.892 -1.947 1.00 52.14 H new ATOM 0 HB2 CYS A 77 67.936 -17.762 -3.391 1.00 61.41 H new ATOM 0 HB3 CYS A 77 67.165 -16.458 -2.510 1.00 61.41 H new ATOM 0 HG CYS A 77 67.545 -14.710 -4.877 1.00 54.33 H new ATOM 1222 N SER A 78 70.432 -15.441 -4.768 1.00 74.53 N ATOM 1223 CA SER A 78 71.428 -15.259 -5.833 1.00 1.24 C ATOM 1224 C SER A 78 71.828 -16.538 -6.602 1.00 20.30 C ATOM 1225 O SER A 78 71.545 -16.663 -7.785 1.00 21.43 O ATOM 1226 CB SER A 78 72.631 -14.503 -5.288 1.00 41.00 C ATOM 1227 OG SER A 78 72.219 -13.240 -4.752 1.00 62.31 O ATOM 0 H SER A 78 69.673 -14.765 -4.851 1.00 74.53 H new ATOM 0 HA SER A 78 70.939 -14.661 -6.602 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.120 -15.093 -4.513 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.363 -14.349 -6.081 1.00 41.00 H new ATOM 0 HG SER A 78 71.430 -12.920 -5.237 1.00 62.31 H new ATOM 1233 N ASN A 79 72.433 -17.482 -5.917 1.00 41.54 N ATOM 1234 CA ASN A 79 72.905 -18.712 -6.524 1.00 73.42 C ATOM 1235 C ASN A 79 71.788 -19.730 -6.532 1.00 0.00 C ATOM 1236 O ASN A 79 71.966 -20.881 -6.947 1.00 53.23 O ATOM 1237 CB ASN A 79 74.101 -19.311 -5.759 1.00 72.51 C ATOM 1238 CG ASN A 79 75.306 -18.392 -5.641 1.00 60.42 C ATOM 1239 OD1 ASN A 79 75.191 -17.176 -5.447 1.00 34.51 O ATOM 1240 ND2 ASN A 79 76.461 -18.946 -5.786 1.00 12.14 N ATOM 0 H ASN A 79 72.614 -17.420 -4.915 1.00 41.54 H new ATOM 0 HA ASN A 79 73.226 -18.473 -7.538 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.772 -19.587 -4.757 1.00 72.51 H new ATOM 0 HB3 ASN A 79 74.410 -20.230 -6.257 1.00 72.51 H new ATOM 0 HD21 ASN A 79 77.308 -18.379 -5.742 1.00 12.14 H new ATOM 0 HD22 ASN A 79 76.528 -19.951 -5.945 1.00 12.14 H new ATOM 1247 N ASP A 80 70.645 -19.325 -6.030 1.00 63.10 N ATOM 1248 CA ASP A 80 69.481 -20.177 -5.979 1.00 44.31 C ATOM 1249 C ASP A 80 68.661 -19.870 -7.214 1.00 54.24 C ATOM 1250 O ASP A 80 68.939 -18.891 -7.918 1.00 62.42 O ATOM 1251 CB ASP A 80 68.658 -19.919 -4.693 1.00 54.35 C ATOM 1252 CG ASP A 80 67.552 -20.952 -4.445 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.476 -20.845 -5.060 1.00 31.11 O ATOM 1254 OD2 ASP A 80 67.761 -21.898 -3.646 1.00 51.55 O ATOM 0 H ASP A 80 70.496 -18.392 -5.644 1.00 63.10 H new ATOM 0 HA ASP A 80 69.773 -21.227 -5.956 1.00 44.31 H new ATOM 0 HB2 ASP A 80 69.333 -19.911 -3.837 1.00 54.35 H new ATOM 0 HB3 ASP A 80 68.209 -18.928 -4.754 1.00 54.35 H new ATOM 1259 N LEU A 81 67.671 -20.645 -7.461 1.00 71.31 N ATOM 1260 CA LEU A 81 66.899 -20.533 -8.651 1.00 11.32 C ATOM 1261 C LEU A 81 65.686 -19.594 -8.412 1.00 12.11 C ATOM 1262 O LEU A 81 65.229 -18.943 -9.324 1.00 75.03 O ATOM 1263 CB LEU A 81 66.494 -21.976 -9.091 1.00 25.11 C ATOM 1264 CG LEU A 81 65.879 -22.207 -10.492 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.461 -21.696 -10.591 1.00 43.44 C ATOM 1266 CD2 LEU A 81 66.750 -21.585 -11.566 1.00 21.25 C ATOM 0 H LEU A 81 67.365 -21.389 -6.834 1.00 71.31 H new ATOM 0 HA LEU A 81 67.469 -20.078 -9.461 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.385 -22.600 -9.020 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.782 -22.352 -8.357 1.00 25.11 H new ATOM 0 HG LEU A 81 65.839 -23.285 -10.650 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.076 -21.883 -11.594 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.837 -22.211 -9.861 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.445 -20.625 -10.390 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.301 -21.758 -12.544 1.00 21.25 H new ATOM 0 HD22 LEU A 81 66.834 -20.513 -11.390 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.742 -22.037 -11.537 1.00 21.25 H new ATOM 1278 N LEU A 82 65.251 -19.496 -7.155 1.00 22.23 N ATOM 1279 CA LEU A 82 64.037 -18.737 -6.735 1.00 31.14 C ATOM 1280 C LEU A 82 64.016 -17.287 -7.316 1.00 51.53 C ATOM 1281 O LEU A 82 63.197 -16.946 -8.205 1.00 75.13 O ATOM 1282 CB LEU A 82 64.064 -18.670 -5.180 1.00 51.31 C ATOM 1283 CG LEU A 82 62.778 -18.330 -4.385 1.00 44.45 C ATOM 1284 CD1 LEU A 82 63.119 -18.255 -2.911 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.122 -17.028 -4.820 1.00 64.25 C ATOM 0 H LEU A 82 65.730 -19.944 -6.374 1.00 22.23 H new ATOM 0 HA LEU A 82 63.147 -19.241 -7.111 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.417 -19.637 -4.822 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.818 -17.933 -4.903 1.00 51.31 H new ATOM 0 HG LEU A 82 62.057 -19.123 -4.586 1.00 44.45 H new ATOM 0 HD11 LEU A 82 62.221 -18.016 -2.341 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.514 -19.215 -2.580 1.00 51.52 H new ATOM 0 HD13 LEU A 82 63.868 -17.479 -2.750 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.228 -16.853 -4.221 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.821 -16.203 -4.678 1.00 64.25 H new ATOM 0 HD23 LEU A 82 61.847 -17.093 -5.873 1.00 64.25 H new ATOM 1297 N GLY A 83 64.939 -16.467 -6.849 1.00 33.33 N ATOM 1298 CA GLY A 83 64.972 -15.077 -7.257 1.00 13.41 C ATOM 1299 C GLY A 83 65.417 -14.954 -8.665 1.00 23.02 C ATOM 1300 O GLY A 83 64.955 -14.076 -9.410 1.00 63.21 O ATOM 0 H GLY A 83 65.670 -16.738 -6.192 1.00 33.33 H new ATOM 0 HA2 GLY A 83 63.982 -14.636 -7.144 1.00 13.41 H new ATOM 0 HA3 GLY A 83 65.646 -14.518 -6.607 1.00 13.41 H new ATOM 1304 N ASP A 84 66.269 -15.883 -9.048 1.00 74.23 N ATOM 1305 CA ASP A 84 66.818 -15.946 -10.380 1.00 72.30 C ATOM 1306 C ASP A 84 65.684 -15.981 -11.374 1.00 60.45 C ATOM 1307 O ASP A 84 65.614 -15.135 -12.236 1.00 21.25 O ATOM 1308 CB ASP A 84 67.690 -17.193 -10.532 1.00 32.43 C ATOM 1309 CG ASP A 84 68.410 -17.274 -11.857 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.835 -17.763 -12.850 1.00 34.12 O ATOM 1311 OD2 ASP A 84 69.590 -16.873 -11.924 1.00 12.11 O ATOM 0 H ASP A 84 66.602 -16.624 -8.431 1.00 74.23 H new ATOM 0 HA ASP A 84 67.439 -15.069 -10.562 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.425 -17.211 -9.728 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.066 -18.079 -10.413 1.00 32.43 H new ATOM 1316 N LEU A 85 64.737 -16.896 -11.112 1.00 51.32 N ATOM 1317 CA LEU A 85 63.541 -17.201 -11.892 1.00 55.15 C ATOM 1318 C LEU A 85 62.626 -16.006 -12.045 1.00 45.10 C ATOM 1319 O LEU A 85 61.939 -15.863 -13.060 1.00 62.02 O ATOM 1320 CB LEU A 85 62.828 -18.290 -11.141 1.00 35.13 C ATOM 1321 CG LEU A 85 61.623 -18.931 -11.774 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.969 -19.565 -13.117 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.039 -19.960 -10.822 1.00 34.22 C ATOM 0 H LEU A 85 64.799 -17.485 -10.282 1.00 51.32 H new ATOM 0 HA LEU A 85 63.823 -17.498 -12.902 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.552 -19.078 -10.934 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.519 -17.881 -10.179 1.00 35.13 H new ATOM 0 HG LEU A 85 60.878 -18.159 -11.967 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.076 -20.019 -13.546 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.348 -18.799 -13.794 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.731 -20.331 -12.972 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.166 -20.425 -11.280 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.787 -20.724 -10.608 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.745 -19.471 -9.893 1.00 34.22 H new ATOM 1335 N PHE A 86 62.573 -15.164 -11.030 1.00 13.22 N ATOM 1336 CA PHE A 86 61.823 -13.904 -11.145 1.00 14.21 C ATOM 1337 C PHE A 86 62.512 -13.023 -12.157 1.00 25.43 C ATOM 1338 O PHE A 86 61.905 -12.204 -12.842 1.00 74.23 O ATOM 1339 CB PHE A 86 61.800 -13.186 -9.825 1.00 60.11 C ATOM 1340 CG PHE A 86 60.946 -11.929 -9.833 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.667 -11.939 -10.372 1.00 60.04 C ATOM 1342 CD2 PHE A 86 61.431 -10.746 -9.312 1.00 61.20 C ATOM 1343 CE1 PHE A 86 58.900 -10.798 -10.391 1.00 63.23 C ATOM 1344 CE2 PHE A 86 60.665 -9.600 -9.327 1.00 21.42 C ATOM 1345 CZ PHE A 86 59.397 -9.628 -9.870 1.00 2.54 C ATOM 0 H PHE A 86 63.027 -15.314 -10.129 1.00 13.22 H new ATOM 0 HA PHE A 86 60.801 -14.125 -11.452 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.427 -13.864 -9.058 1.00 60.11 H new ATOM 0 HB3 PHE A 86 62.820 -12.921 -9.547 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.269 -12.855 -10.782 1.00 60.04 H new ATOM 0 HD2 PHE A 86 62.424 -10.718 -8.887 1.00 61.20 H new ATOM 0 HE1 PHE A 86 57.907 -10.822 -10.815 1.00 63.23 H new ATOM 0 HE2 PHE A 86 61.057 -8.682 -8.914 1.00 21.42 H new ATOM 0 HZ PHE A 86 58.796 -8.731 -9.885 1.00 2.54 H new ATOM 1355 N GLY A 87 63.750 -13.264 -12.261 1.00 24.41 N ATOM 1356 CA GLY A 87 64.620 -12.537 -13.142 1.00 31.24 C ATOM 1357 C GLY A 87 65.386 -11.515 -12.387 1.00 3.13 C ATOM 1358 O GLY A 87 65.589 -10.393 -12.864 1.00 20.13 O ATOM 0 H GLY A 87 64.223 -13.993 -11.727 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.307 -13.225 -13.634 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.035 -12.056 -13.926 1.00 31.24 H new ATOM 1362 N VAL A 88 65.806 -11.883 -11.188 1.00 0.24 N ATOM 1363 CA VAL A 88 66.546 -10.946 -10.328 1.00 65.43 C ATOM 1364 C VAL A 88 67.679 -11.623 -9.551 1.00 62.04 C ATOM 1365 O VAL A 88 67.698 -12.841 -9.410 1.00 2.43 O ATOM 1366 CB VAL A 88 65.631 -10.187 -9.310 1.00 34.42 C ATOM 1367 CG1 VAL A 88 64.639 -9.254 -9.990 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.922 -11.139 -8.361 1.00 52.45 C ATOM 0 H VAL A 88 65.655 -12.807 -10.784 1.00 0.24 H new ATOM 0 HA VAL A 88 66.969 -10.223 -11.026 1.00 65.43 H new ATOM 0 HB VAL A 88 66.300 -9.562 -8.718 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.032 -8.755 -9.235 1.00 53.13 H new ATOM 0 HG12 VAL A 88 65.181 -8.508 -10.571 1.00 53.13 H new ATOM 0 HG13 VAL A 88 63.993 -9.830 -10.652 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.298 -10.569 -7.672 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.298 -11.825 -8.933 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.661 -11.707 -7.796 1.00 52.45 H new ATOM 1378 N PRO A 89 68.680 -10.845 -9.077 1.00 11.32 N ATOM 1379 CA PRO A 89 69.742 -11.368 -8.221 1.00 74.43 C ATOM 1380 C PRO A 89 69.361 -11.298 -6.725 1.00 61.01 C ATOM 1381 O PRO A 89 69.961 -11.980 -5.886 1.00 1.24 O ATOM 1382 CB PRO A 89 70.935 -10.427 -8.505 1.00 25.13 C ATOM 1383 CG PRO A 89 70.421 -9.362 -9.442 1.00 40.51 C ATOM 1384 CD PRO A 89 68.922 -9.429 -9.405 1.00 22.11 C ATOM 0 HA PRO A 89 69.951 -12.418 -8.427 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.310 -9.985 -7.582 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.763 -10.974 -8.955 1.00 25.13 H new ATOM 0 HG2 PRO A 89 70.770 -8.377 -9.134 1.00 40.51 H new ATOM 0 HG3 PRO A 89 70.789 -9.529 -10.454 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.503 -8.760 -8.653 1.00 22.11 H new ATOM 0 HD3 PRO A 89 68.479 -9.151 -10.361 1.00 22.11 H new ATOM 1392 N SER A 90 68.372 -10.465 -6.416 1.00 72.45 N ATOM 1393 CA SER A 90 67.894 -10.240 -5.070 1.00 0.12 C ATOM 1394 C SER A 90 66.478 -9.672 -5.134 1.00 72.25 C ATOM 1395 O SER A 90 66.109 -9.031 -6.130 1.00 42.34 O ATOM 1396 CB SER A 90 68.833 -9.245 -4.361 1.00 14.22 C ATOM 1397 OG SER A 90 68.396 -8.904 -3.041 1.00 32.43 O ATOM 0 H SER A 90 67.873 -9.918 -7.117 1.00 72.45 H new ATOM 0 HA SER A 90 67.880 -11.177 -4.513 1.00 0.12 H new ATOM 0 HB2 SER A 90 69.833 -9.674 -4.307 1.00 14.22 H new ATOM 0 HB3 SER A 90 68.908 -8.336 -4.959 1.00 14.22 H new ATOM 0 HG SER A 90 68.135 -9.718 -2.562 1.00 32.43 H new ATOM 1403 N PHE A 91 65.713 -9.874 -4.079 1.00 22.52 N ATOM 1404 CA PHE A 91 64.346 -9.416 -4.008 1.00 23.10 C ATOM 1405 C PHE A 91 64.012 -8.984 -2.591 1.00 42.12 C ATOM 1406 O PHE A 91 64.572 -9.501 -1.634 1.00 74.32 O ATOM 1407 CB PHE A 91 63.333 -10.469 -4.549 1.00 64.21 C ATOM 1408 CG PHE A 91 63.257 -11.833 -3.849 1.00 51.33 C ATOM 1409 CD1 PHE A 91 64.133 -12.861 -4.183 1.00 11.25 C ATOM 1410 CD2 PHE A 91 62.256 -12.108 -2.917 1.00 4.31 C ATOM 1411 CE1 PHE A 91 64.021 -14.102 -3.600 1.00 2.33 C ATOM 1412 CE2 PHE A 91 62.138 -13.350 -2.350 1.00 61.22 C ATOM 1413 CZ PHE A 91 63.017 -14.348 -2.687 1.00 72.40 C ATOM 0 H PHE A 91 66.028 -10.365 -3.242 1.00 22.52 H new ATOM 0 HA PHE A 91 64.252 -8.550 -4.664 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.339 -10.022 -4.515 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.567 -10.647 -5.599 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.912 -12.682 -4.910 1.00 11.25 H new ATOM 0 HD2 PHE A 91 61.562 -11.329 -2.638 1.00 4.31 H new ATOM 0 HE1 PHE A 91 64.720 -14.884 -3.857 1.00 2.33 H new ATOM 0 HE2 PHE A 91 61.351 -13.544 -1.636 1.00 61.22 H new ATOM 0 HZ PHE A 91 62.923 -15.326 -2.238 1.00 72.40 H new ATOM 1423 N SER A 92 63.151 -8.026 -2.459 1.00 13.21 N ATOM 1424 CA SER A 92 62.790 -7.530 -1.161 1.00 63.42 C ATOM 1425 C SER A 92 61.356 -7.892 -0.837 1.00 12.35 C ATOM 1426 O SER A 92 60.480 -7.823 -1.698 1.00 65.40 O ATOM 1427 CB SER A 92 63.046 -6.015 -1.053 1.00 64.34 C ATOM 1428 OG SER A 92 62.351 -5.272 -2.050 1.00 72.34 O ATOM 0 H SER A 92 62.679 -7.566 -3.238 1.00 13.21 H new ATOM 0 HA SER A 92 63.426 -8.009 -0.416 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.740 -5.668 -0.066 1.00 64.34 H new ATOM 0 HB3 SER A 92 64.115 -5.823 -1.141 1.00 64.34 H new ATOM 0 HG SER A 92 62.543 -4.317 -1.940 1.00 72.34 H new ATOM 1434 N VAL A 93 61.110 -8.250 0.406 1.00 15.21 N ATOM 1435 CA VAL A 93 59.788 -8.713 0.826 1.00 44.32 C ATOM 1436 C VAL A 93 58.814 -7.542 0.932 1.00 70.53 C ATOM 1437 O VAL A 93 57.613 -7.720 0.986 1.00 62.34 O ATOM 1438 CB VAL A 93 59.851 -9.474 2.180 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.993 -10.466 2.177 1.00 62.31 C ATOM 1440 CG2 VAL A 93 59.973 -8.534 3.362 1.00 71.25 C ATOM 0 H VAL A 93 61.806 -8.232 1.152 1.00 15.21 H new ATOM 0 HA VAL A 93 59.430 -9.406 0.064 1.00 44.32 H new ATOM 0 HB VAL A 93 58.909 -10.012 2.290 1.00 54.24 H new ATOM 0 HG11 VAL A 93 61.022 -10.990 3.132 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.847 -11.187 1.372 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.934 -9.937 2.024 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.013 -9.113 4.285 1.00 71.25 H new ATOM 0 HG22 VAL A 93 60.884 -7.943 3.264 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.110 -7.869 3.389 1.00 71.25 H new ATOM 1450 N LYS A 94 59.366 -6.336 0.938 1.00 25.30 N ATOM 1451 CA LYS A 94 58.579 -5.118 1.039 1.00 34.12 C ATOM 1452 C LYS A 94 57.975 -4.775 -0.306 1.00 43.13 C ATOM 1453 O LYS A 94 57.129 -3.894 -0.421 1.00 62.22 O ATOM 1454 CB LYS A 94 59.440 -3.983 1.590 1.00 44.32 C ATOM 1455 CG LYS A 94 59.946 -4.269 2.993 1.00 11.41 C ATOM 1456 CD LYS A 94 58.820 -4.206 4.020 1.00 61.24 C ATOM 1457 CE LYS A 94 59.213 -4.903 5.310 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.292 -4.603 6.422 1.00 40.32 N ATOM 0 H LYS A 94 60.371 -6.176 0.873 1.00 25.30 H new ATOM 0 HA LYS A 94 57.755 -5.272 1.736 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.289 -3.820 0.927 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.859 -3.061 1.597 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.408 -5.256 3.019 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.719 -3.547 3.256 1.00 11.41 H new ATOM 0 HD2 LYS A 94 58.571 -3.165 4.227 1.00 61.24 H new ATOM 0 HD3 LYS A 94 57.924 -4.672 3.610 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.237 -5.980 5.144 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.223 -4.601 5.588 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 58.422 -5.304 7.179 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.493 -3.652 6.792 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.311 -4.641 6.080 1.00 40.32 H new ATOM 1472 N GLU A 95 58.400 -5.487 -1.312 1.00 41.22 N ATOM 1473 CA GLU A 95 57.838 -5.369 -2.611 1.00 25.25 C ATOM 1474 C GLU A 95 56.856 -6.484 -2.807 1.00 44.21 C ATOM 1475 O GLU A 95 57.134 -7.486 -3.462 1.00 11.24 O ATOM 1476 CB GLU A 95 58.862 -5.454 -3.666 1.00 62.12 C ATOM 1477 CG GLU A 95 59.765 -4.250 -3.812 1.00 1.24 C ATOM 1478 CD GLU A 95 59.027 -3.061 -4.358 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.870 -2.958 -5.588 1.00 35.23 O ATOM 1480 OE2 GLU A 95 58.578 -2.218 -3.582 1.00 30.24 O ATOM 0 H GLU A 95 59.154 -6.170 -1.243 1.00 41.22 H new ATOM 0 HA GLU A 95 57.358 -4.393 -2.685 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.484 -6.328 -3.472 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.360 -5.625 -4.619 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.194 -3.998 -2.842 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.596 -4.497 -4.473 1.00 1.24 H new ATOM 1487 N HIS A 96 55.738 -6.304 -2.209 1.00 61.03 N ATOM 1488 CA HIS A 96 54.638 -7.288 -2.205 1.00 22.11 C ATOM 1489 C HIS A 96 54.227 -7.617 -3.627 1.00 24.20 C ATOM 1490 O HIS A 96 54.003 -8.776 -3.964 1.00 4.12 O ATOM 1491 CB HIS A 96 53.407 -6.805 -1.393 1.00 0.11 C ATOM 1492 CG HIS A 96 53.616 -6.651 0.099 1.00 4.44 C ATOM 1493 ND1 HIS A 96 52.593 -6.345 0.971 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.723 -6.770 0.866 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.052 -6.282 2.194 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.345 -6.536 2.168 1.00 71.43 N ATOM 0 H HIS A 96 55.523 -5.456 -1.685 1.00 61.03 H new ATOM 0 HA HIS A 96 55.014 -8.185 -1.713 1.00 22.11 H new ATOM 0 HB2 HIS A 96 53.085 -5.845 -1.796 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.591 -7.509 -1.555 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.719 -7.005 0.521 1.00 64.43 H new ATOM 0 HE1 HIS A 96 52.470 -6.059 3.076 1.00 53.21 H new ATOM 0 HE2 HIS A 96 54.963 -6.556 2.979 1.00 71.43 H new ATOM 1504 N ARG A 97 54.181 -6.580 -4.455 1.00 61.45 N ATOM 1505 CA ARG A 97 53.880 -6.693 -5.883 1.00 2.00 C ATOM 1506 C ARG A 97 54.824 -7.680 -6.580 1.00 60.51 C ATOM 1507 O ARG A 97 54.387 -8.536 -7.337 1.00 63.44 O ATOM 1508 CB ARG A 97 53.952 -5.304 -6.555 1.00 25.22 C ATOM 1509 CG ARG A 97 55.244 -4.530 -6.282 1.00 31.52 C ATOM 1510 CD ARG A 97 55.235 -3.160 -6.931 1.00 61.22 C ATOM 1511 NE ARG A 97 56.382 -2.359 -6.493 1.00 52.14 N ATOM 1512 CZ ARG A 97 56.406 -1.028 -6.396 1.00 35.43 C ATOM 1513 NH1 ARG A 97 55.397 -0.293 -6.854 1.00 32.04 N ATOM 1514 NH2 ARG A 97 57.461 -0.448 -5.856 1.00 50.15 N ATOM 0 H ARG A 97 54.354 -5.622 -4.152 1.00 61.45 H new ATOM 0 HA ARG A 97 52.867 -7.082 -5.983 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.840 -5.430 -7.632 1.00 25.22 H new ATOM 0 HB3 ARG A 97 53.107 -4.706 -6.214 1.00 25.22 H new ATOM 0 HG2 ARG A 97 55.380 -4.420 -5.206 1.00 31.52 H new ATOM 0 HG3 ARG A 97 56.094 -5.102 -6.654 1.00 31.52 H new ATOM 0 HD2 ARG A 97 55.256 -3.268 -8.015 1.00 61.22 H new ATOM 0 HD3 ARG A 97 54.309 -2.642 -6.680 1.00 61.22 H new ATOM 0 HE ARG A 97 57.233 -2.861 -6.241 1.00 52.14 H new ATOM 0 HH11 ARG A 97 54.591 -0.746 -7.286 1.00 32.04 H new ATOM 0 HH12 ARG A 97 55.429 0.723 -6.773 1.00 32.04 H new ATOM 0 HH21 ARG A 97 58.240 -1.016 -5.521 1.00 50.15 H new ATOM 0 HH22 ARG A 97 57.498 0.568 -5.773 1.00 50.15 H new ATOM 1528 N LYS A 98 56.105 -7.592 -6.253 1.00 3.30 N ATOM 1529 CA LYS A 98 57.123 -8.439 -6.863 1.00 1.24 C ATOM 1530 C LYS A 98 56.927 -9.868 -6.440 1.00 33.20 C ATOM 1531 O LYS A 98 57.066 -10.791 -7.257 1.00 63.32 O ATOM 1532 CB LYS A 98 58.536 -7.976 -6.486 1.00 62.12 C ATOM 1533 CG LYS A 98 58.863 -6.557 -6.914 1.00 4.31 C ATOM 1534 CD LYS A 98 58.797 -6.394 -8.406 1.00 4.22 C ATOM 1535 CE LYS A 98 58.997 -4.958 -8.823 1.00 21.35 C ATOM 1536 NZ LYS A 98 58.867 -4.802 -10.281 1.00 63.10 N ATOM 0 H LYS A 98 56.468 -6.936 -5.562 1.00 3.30 H new ATOM 0 HA LYS A 98 57.017 -8.361 -7.945 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.655 -8.054 -5.405 1.00 62.12 H new ATOM 0 HB3 LYS A 98 59.260 -8.655 -6.936 1.00 62.12 H new ATOM 0 HG2 LYS A 98 58.165 -5.865 -6.442 1.00 4.31 H new ATOM 0 HG3 LYS A 98 59.861 -6.293 -6.563 1.00 4.31 H new ATOM 0 HD2 LYS A 98 59.559 -7.018 -8.874 1.00 4.22 H new ATOM 0 HD3 LYS A 98 57.831 -6.746 -8.768 1.00 4.22 H new ATOM 0 HE2 LYS A 98 58.265 -4.326 -8.321 1.00 21.35 H new ATOM 0 HE3 LYS A 98 59.983 -4.619 -8.505 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 59.010 -3.804 -10.537 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 59.582 -5.388 -10.758 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 57.917 -5.104 -10.579 1.00 63.10 H new ATOM 1550 N ILE A 99 56.552 -10.043 -5.182 1.00 54.20 N ATOM 1551 CA ILE A 99 56.346 -11.358 -4.619 1.00 3.41 C ATOM 1552 C ILE A 99 55.209 -12.035 -5.358 1.00 32.52 C ATOM 1553 O ILE A 99 55.332 -13.176 -5.792 1.00 34.24 O ATOM 1554 CB ILE A 99 56.000 -11.313 -3.109 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.941 -10.363 -2.337 1.00 62.20 C ATOM 1556 CG2 ILE A 99 56.065 -12.717 -2.520 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.425 -10.648 -2.484 1.00 13.25 C ATOM 0 H ILE A 99 56.384 -9.277 -4.529 1.00 54.20 H new ATOM 0 HA ILE A 99 57.279 -11.911 -4.728 1.00 3.41 H new ATOM 0 HB ILE A 99 54.986 -10.925 -3.007 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.751 -9.343 -2.669 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.684 -10.407 -1.279 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.821 -12.678 -1.458 1.00 53.21 H new ATOM 0 HG22 ILE A 99 55.350 -13.360 -3.033 1.00 53.21 H new ATOM 0 HG23 ILE A 99 57.070 -13.118 -2.646 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.994 -9.923 -1.902 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.640 -11.653 -2.122 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.708 -10.573 -3.534 1.00 13.25 H new ATOM 1569 N TYR A 100 54.116 -11.310 -5.536 1.00 43.11 N ATOM 1570 CA TYR A 100 52.978 -11.838 -6.258 1.00 15.13 C ATOM 1571 C TYR A 100 53.356 -12.212 -7.669 1.00 34.44 C ATOM 1572 O TYR A 100 53.055 -13.306 -8.113 1.00 3.54 O ATOM 1573 CB TYR A 100 51.812 -10.861 -6.279 1.00 21.14 C ATOM 1574 CG TYR A 100 51.359 -10.426 -4.913 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.341 -11.315 -3.843 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.951 -9.129 -4.693 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.924 -10.921 -2.597 1.00 62.13 C ATOM 1578 CE2 TYR A 100 50.533 -8.720 -3.449 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.518 -9.617 -2.403 1.00 51.34 C ATOM 1580 OH TYR A 100 50.088 -9.207 -1.162 1.00 40.22 O ATOM 0 H TYR A 100 53.996 -10.358 -5.190 1.00 43.11 H new ATOM 0 HA TYR A 100 52.659 -12.734 -5.726 1.00 15.13 H new ATOM 0 HB2 TYR A 100 52.099 -9.980 -6.854 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.973 -11.322 -6.800 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.661 -12.335 -3.996 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.960 -8.423 -5.510 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.914 -11.624 -1.777 1.00 62.13 H new ATOM 0 HE2 TYR A 100 50.217 -7.699 -3.292 1.00 71.11 H new ATOM 0 HH TYR A 100 50.366 -9.861 -0.487 1.00 40.22 H new ATOM 1590 N THR A 101 54.080 -11.341 -8.340 1.00 71.31 N ATOM 1591 CA THR A 101 54.451 -11.587 -9.718 1.00 4.12 C ATOM 1592 C THR A 101 55.413 -12.781 -9.908 1.00 22.22 C ATOM 1593 O THR A 101 55.327 -13.493 -10.911 1.00 14.53 O ATOM 1594 CB THR A 101 54.963 -10.317 -10.440 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.934 -9.615 -9.636 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.806 -9.397 -10.777 1.00 55.24 C ATOM 0 H THR A 101 54.422 -10.460 -7.956 1.00 71.31 H new ATOM 0 HA THR A 101 53.519 -11.878 -10.202 1.00 4.12 H new ATOM 0 HB THR A 101 55.448 -10.632 -11.364 1.00 52.21 H new ATOM 0 HG1 THR A 101 56.290 -10.219 -8.951 1.00 1.34 H new ATOM 0 HG21 THR A 101 54.183 -8.509 -11.284 1.00 55.24 H new ATOM 0 HG22 THR A 101 53.105 -9.918 -11.430 1.00 55.24 H new ATOM 0 HG23 THR A 101 53.297 -9.102 -9.860 1.00 55.24 H new ATOM 1604 N MET A 102 56.290 -13.037 -8.931 1.00 34.35 N ATOM 1605 CA MET A 102 57.225 -14.171 -9.051 1.00 63.42 C ATOM 1606 C MET A 102 56.485 -15.487 -8.898 1.00 13.22 C ATOM 1607 O MET A 102 56.847 -16.501 -9.507 1.00 73.13 O ATOM 1608 CB MET A 102 58.432 -14.071 -8.068 1.00 43.15 C ATOM 1609 CG MET A 102 58.101 -14.159 -6.585 1.00 11.42 C ATOM 1610 SD MET A 102 59.545 -13.944 -5.506 1.00 45.04 S ATOM 1611 CE MET A 102 60.031 -12.245 -5.857 1.00 54.24 C ATOM 0 H MET A 102 56.375 -12.495 -8.071 1.00 34.35 H new ATOM 0 HA MET A 102 57.654 -14.129 -10.052 1.00 63.42 H new ATOM 0 HB2 MET A 102 59.137 -14.867 -8.309 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.944 -13.126 -8.249 1.00 43.15 H new ATOM 0 HG2 MET A 102 57.359 -13.399 -6.341 1.00 11.42 H new ATOM 0 HG3 MET A 102 57.645 -15.127 -6.380 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.176 -11.707 -4.920 1.00 54.24 H new ATOM 0 HE2 MET A 102 60.962 -12.243 -6.424 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.250 -11.756 -6.439 1.00 54.24 H new ATOM 1621 N ILE A 103 55.412 -15.446 -8.146 1.00 3.21 N ATOM 1622 CA ILE A 103 54.594 -16.606 -7.918 1.00 52.20 C ATOM 1623 C ILE A 103 53.620 -16.769 -9.076 1.00 5.52 C ATOM 1624 O ILE A 103 53.490 -17.847 -9.639 1.00 70.30 O ATOM 1625 CB ILE A 103 53.819 -16.469 -6.594 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.809 -16.290 -5.437 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.935 -17.686 -6.368 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.166 -16.016 -4.091 1.00 2.12 C ATOM 0 H ILE A 103 55.083 -14.603 -7.675 1.00 3.21 H new ATOM 0 HA ILE A 103 55.234 -17.486 -7.851 1.00 52.20 H new ATOM 0 HB ILE A 103 53.174 -15.592 -6.644 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.420 -17.189 -5.357 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.483 -15.468 -5.677 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.394 -17.573 -5.428 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.223 -17.776 -7.188 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.554 -18.582 -6.325 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.942 -15.903 -3.333 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.579 -15.099 -4.148 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.515 -16.848 -3.823 1.00 2.12 H new ATOM 1640 N TYR A 104 52.990 -15.666 -9.453 1.00 40.11 N ATOM 1641 CA TYR A 104 52.031 -15.613 -10.539 1.00 44.15 C ATOM 1642 C TYR A 104 52.638 -16.108 -11.850 1.00 13.14 C ATOM 1643 O TYR A 104 51.982 -16.793 -12.618 1.00 40.12 O ATOM 1644 CB TYR A 104 51.455 -14.172 -10.653 1.00 10.23 C ATOM 1645 CG TYR A 104 51.323 -13.631 -12.057 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.382 -12.953 -12.635 1.00 23.41 C ATOM 1647 CD2 TYR A 104 50.168 -13.805 -12.800 1.00 54.33 C ATOM 1648 CE1 TYR A 104 52.303 -12.460 -13.917 1.00 54.14 C ATOM 1649 CE2 TYR A 104 50.078 -13.317 -14.088 1.00 5.31 C ATOM 1650 CZ TYR A 104 51.147 -12.646 -14.640 1.00 60.51 C ATOM 1651 OH TYR A 104 51.064 -12.174 -15.931 1.00 1.15 O ATOM 0 H TYR A 104 53.137 -14.764 -9.000 1.00 40.11 H new ATOM 0 HA TYR A 104 51.206 -16.290 -10.320 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.472 -14.155 -10.182 1.00 10.23 H new ATOM 0 HB3 TYR A 104 52.094 -13.498 -10.082 1.00 10.23 H new ATOM 0 HD1 TYR A 104 53.290 -12.808 -12.068 1.00 23.41 H new ATOM 0 HD2 TYR A 104 49.328 -14.328 -12.367 1.00 54.33 H new ATOM 0 HE1 TYR A 104 53.139 -11.933 -14.351 1.00 54.14 H new ATOM 0 HE2 TYR A 104 49.174 -13.461 -14.660 1.00 5.31 H new ATOM 0 HH TYR A 104 50.182 -12.388 -16.302 1.00 1.15 H new ATOM 1661 N ARG A 105 53.904 -15.790 -12.077 1.00 53.53 N ATOM 1662 CA ARG A 105 54.592 -16.204 -13.292 1.00 5.51 C ATOM 1663 C ARG A 105 54.805 -17.720 -13.296 1.00 13.24 C ATOM 1664 O ARG A 105 54.943 -18.343 -14.344 1.00 2.23 O ATOM 1665 CB ARG A 105 55.952 -15.493 -13.406 1.00 24.32 C ATOM 1666 CG ARG A 105 56.669 -15.759 -14.719 1.00 13.52 C ATOM 1667 CD ARG A 105 58.039 -15.112 -14.772 1.00 62.13 C ATOM 1668 NE ARG A 105 58.631 -15.244 -16.104 1.00 23.52 N ATOM 1669 CZ ARG A 105 59.917 -15.059 -16.417 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.841 -14.921 -15.464 1.00 4.40 N ATOM 1671 NH2 ARG A 105 60.278 -15.067 -17.691 1.00 43.11 N ATOM 0 H ARG A 105 54.478 -15.245 -11.434 1.00 53.53 H new ATOM 0 HA ARG A 105 53.972 -15.929 -14.145 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.802 -14.419 -13.295 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.590 -15.813 -12.582 1.00 24.32 H new ATOM 0 HG2 ARG A 105 56.773 -16.835 -14.862 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.062 -15.385 -15.543 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.957 -14.057 -14.510 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.692 -15.575 -14.032 1.00 62.13 H new ATOM 0 HE ARG A 105 58.003 -15.501 -16.865 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.569 -14.956 -14.481 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.819 -14.780 -15.718 1.00 4.40 H new ATOM 0 HH21 ARG A 105 59.578 -15.213 -18.418 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.256 -14.927 -17.945 1.00 43.11 H new ATOM 1685 N ASN A 106 54.787 -18.305 -12.126 1.00 14.40 N ATOM 1686 CA ASN A 106 55.077 -19.707 -11.977 1.00 75.13 C ATOM 1687 C ASN A 106 53.872 -20.545 -11.650 1.00 64.35 C ATOM 1688 O ASN A 106 53.991 -21.730 -11.322 1.00 43.10 O ATOM 1689 CB ASN A 106 56.215 -19.965 -11.020 1.00 32.11 C ATOM 1690 CG ASN A 106 57.556 -19.607 -11.612 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.171 -20.424 -12.301 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.040 -18.414 -11.340 1.00 61.11 N ATOM 0 H ASN A 106 54.572 -17.824 -11.253 1.00 14.40 H new ATOM 0 HA ASN A 106 55.405 -20.031 -12.964 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.058 -19.388 -10.108 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.216 -21.017 -10.735 1.00 32.11 H new ATOM 0 HD21 ASN A 106 58.953 -18.139 -11.703 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.502 -17.764 -10.766 1.00 61.11 H new ATOM 1699 N LEU A 107 52.727 -19.957 -11.709 1.00 34.24 N ATOM 1700 CA LEU A 107 51.520 -20.727 -11.566 1.00 22.31 C ATOM 1701 C LEU A 107 50.772 -20.677 -12.867 1.00 22.33 C ATOM 1702 O LEU A 107 50.914 -19.728 -13.639 1.00 3.21 O ATOM 1703 CB LEU A 107 50.644 -20.250 -10.390 1.00 10.31 C ATOM 1704 CG LEU A 107 49.983 -18.881 -10.537 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.638 -18.926 -11.261 1.00 53.04 C ATOM 1706 CD2 LEU A 107 49.904 -18.157 -9.227 1.00 33.10 C ATOM 0 H LEU A 107 52.591 -18.956 -11.853 1.00 34.24 H new ATOM 0 HA LEU A 107 51.787 -21.757 -11.328 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.861 -20.990 -10.227 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.260 -20.235 -9.491 1.00 10.31 H new ATOM 0 HG LEU A 107 50.638 -18.301 -11.187 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.227 -17.919 -11.329 1.00 53.04 H new ATOM 0 HD12 LEU A 107 48.778 -19.329 -12.264 1.00 53.04 H new ATOM 0 HD13 LEU A 107 47.948 -19.563 -10.707 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.428 -17.188 -9.375 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.318 -18.745 -8.521 1.00 33.10 H new ATOM 0 HD23 LEU A 107 50.909 -18.010 -8.831 1.00 33.10 H new ATOM 1718 N VAL A 108 50.041 -21.684 -13.130 1.00 63.11 N ATOM 1719 CA VAL A 108 49.255 -21.753 -14.333 1.00 1.01 C ATOM 1720 C VAL A 108 47.765 -21.682 -14.021 1.00 71.42 C ATOM 1721 O VAL A 108 47.274 -22.397 -13.144 1.00 31.43 O ATOM 1722 CB VAL A 108 49.610 -22.976 -15.250 1.00 35.03 C ATOM 1723 CG1 VAL A 108 51.043 -22.876 -15.744 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.401 -24.304 -14.544 1.00 72.10 C ATOM 0 H VAL A 108 49.957 -22.500 -12.524 1.00 63.11 H new ATOM 0 HA VAL A 108 49.519 -20.873 -14.920 1.00 1.01 H new ATOM 0 HB VAL A 108 48.929 -22.941 -16.101 1.00 35.03 H new ATOM 0 HG11 VAL A 108 51.270 -23.733 -16.378 1.00 45.42 H new ATOM 0 HG12 VAL A 108 51.167 -21.957 -16.318 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.722 -22.866 -14.891 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.660 -25.120 -15.219 1.00 72.10 H new ATOM 0 HG22 VAL A 108 50.036 -24.350 -13.659 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.357 -24.397 -14.246 1.00 72.10 H new ATOM 1734 N VAL A 109 47.073 -20.772 -14.664 1.00 53.02 N ATOM 1735 CA VAL A 109 45.633 -20.664 -14.531 1.00 54.14 C ATOM 1736 C VAL A 109 44.978 -20.628 -15.891 1.00 41.24 C ATOM 1737 O VAL A 109 44.632 -19.545 -16.385 1.00 0.00 O ATOM 1738 CB VAL A 109 45.160 -19.468 -13.649 1.00 42.33 C ATOM 1739 CG1 VAL A 109 45.256 -19.822 -12.172 1.00 54.03 C ATOM 1740 CG2 VAL A 109 46.004 -18.251 -13.931 1.00 33.31 C ATOM 1741 OXT VAL A 109 44.861 -21.700 -16.522 1.00 0.00 O ATOM 0 H VAL A 109 47.488 -20.085 -15.294 1.00 53.02 H new ATOM 0 HA VAL A 109 45.313 -21.559 -13.998 1.00 54.14 H new ATOM 0 HB VAL A 109 44.120 -19.252 -13.894 1.00 42.33 H new ATOM 0 HG11 VAL A 109 44.922 -18.975 -11.572 1.00 54.03 H new ATOM 0 HG12 VAL A 109 44.625 -20.686 -11.963 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.290 -20.059 -11.921 1.00 54.03 H new ATOM 0 HG21 VAL A 109 45.665 -17.422 -13.310 1.00 33.31 H new ATOM 0 HG22 VAL A 109 47.047 -18.471 -13.705 1.00 33.31 H new ATOM 0 HG23 VAL A 109 45.910 -17.979 -14.982 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 59.357 -2.059 10.926 1.00 70.03 N ATOM 1753 CA ASP B 301 60.613 -2.734 10.569 1.00 40.31 C ATOM 1754 C ASP B 301 61.661 -2.684 11.671 1.00 43.41 C ATOM 1755 O ASP B 301 62.830 -3.010 11.437 1.00 3.22 O ATOM 1756 CB ASP B 301 61.195 -2.223 9.244 1.00 55.03 C ATOM 1757 CG ASP B 301 60.558 -2.871 8.044 1.00 52.13 C ATOM 1758 OD1 ASP B 301 59.448 -2.446 7.621 1.00 11.23 O ATOM 1759 OD2 ASP B 301 61.149 -3.816 7.486 1.00 23.31 O ATOM 0 HA ASP B 301 60.342 -3.782 10.437 1.00 40.31 H new ATOM 0 HB2 ASP B 301 61.059 -1.143 9.184 1.00 55.03 H new ATOM 0 HB3 ASP B 301 62.269 -2.411 9.227 1.00 55.03 H new ATOM 1766 N GLY B 302 61.257 -2.336 12.870 1.00 32.14 N ATOM 1767 CA GLY B 302 62.175 -2.308 13.976 1.00 10.15 C ATOM 1768 C GLY B 302 62.180 -3.639 14.684 1.00 44.11 C ATOM 1769 O GLY B 302 61.420 -3.851 15.623 1.00 74.13 O ATOM 0 H GLY B 302 60.300 -2.069 13.101 1.00 32.14 H new ATOM 0 HA2 GLY B 302 63.178 -2.074 13.619 1.00 10.15 H new ATOM 0 HA3 GLY B 302 61.892 -1.519 14.673 1.00 10.15 H new ATOM 1773 N GLY B 303 62.991 -4.539 14.204 1.00 50.33 N ATOM 1774 CA GLY B 303 63.059 -5.859 14.777 1.00 63.40 C ATOM 1775 C GLY B 303 62.281 -6.834 13.940 1.00 53.01 C ATOM 1776 O GLY B 303 61.264 -7.390 14.381 1.00 2.33 O ATOM 0 H GLY B 303 63.618 -4.384 13.414 1.00 50.33 H new ATOM 0 HA2 GLY B 303 64.099 -6.179 14.847 1.00 63.40 H new ATOM 0 HA3 GLY B 303 62.661 -5.843 15.792 1.00 63.40 H new ATOM 1780 N THR B 304 62.726 -7.014 12.724 1.00 72.21 N ATOM 1781 CA THR B 304 62.075 -7.875 11.782 1.00 53.02 C ATOM 1782 C THR B 304 62.706 -9.249 11.720 1.00 61.42 C ATOM 1783 O THR B 304 63.918 -9.359 11.602 1.00 41.25 O ATOM 1784 CB THR B 304 62.127 -7.259 10.370 1.00 73.35 C ATOM 1785 OG1 THR B 304 63.476 -6.854 10.049 1.00 53.13 O ATOM 1786 CG2 THR B 304 61.210 -6.075 10.271 1.00 11.42 C ATOM 0 H THR B 304 63.563 -6.559 12.359 1.00 72.21 H new ATOM 0 HA THR B 304 61.045 -7.980 12.123 1.00 53.02 H new ATOM 0 HB THR B 304 61.800 -8.017 9.659 1.00 73.35 H new ATOM 0 HG1 THR B 304 64.105 -7.540 10.356 1.00 53.13 H new ATOM 0 HG21 THR B 304 61.263 -5.657 9.266 1.00 11.42 H new ATOM 0 HG22 THR B 304 60.187 -6.389 10.480 1.00 11.42 H new ATOM 0 HG23 THR B 304 61.513 -5.319 10.995 1.00 11.42 H new ATOM 1794 N THR B 305 61.900 -10.271 11.844 1.00 33.52 N ATOM 1795 CA THR B 305 62.326 -11.611 11.558 1.00 3.31 C ATOM 1796 C THR B 305 61.652 -11.992 10.244 1.00 54.44 C ATOM 1797 O THR B 305 60.446 -11.711 10.061 1.00 34.54 O ATOM 1798 CB THR B 305 61.992 -12.629 12.718 1.00 43.20 C ATOM 1799 OG1 THR B 305 62.324 -13.984 12.341 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.538 -12.570 13.129 1.00 31.13 C ATOM 0 H THR B 305 60.929 -10.195 12.147 1.00 33.52 H new ATOM 0 HA THR B 305 63.412 -11.656 11.475 1.00 3.31 H new ATOM 0 HB THR B 305 62.604 -12.330 13.569 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.108 -14.591 13.079 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.357 -13.288 13.929 1.00 31.13 H new ATOM 0 HG22 THR B 305 60.300 -11.566 13.481 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.908 -12.814 12.274 1.00 31.13 H new ATOM 1808 N PHE B 306 62.419 -12.579 9.322 1.00 23.43 N ATOM 1809 CA PHE B 306 61.939 -12.899 7.967 1.00 31.21 C ATOM 1810 C PHE B 306 60.636 -13.686 7.996 1.00 61.12 C ATOM 1811 O PHE B 306 59.687 -13.391 7.260 1.00 3.43 O ATOM 1812 CB PHE B 306 63.004 -13.663 7.165 1.00 53.41 C ATOM 1813 CG PHE B 306 62.541 -14.031 5.787 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.613 -13.128 4.762 1.00 42.23 C ATOM 1815 CD2 PHE B 306 62.000 -15.275 5.536 1.00 73.14 C ATOM 1816 CE1 PHE B 306 62.163 -13.456 3.514 1.00 4.02 C ATOM 1817 CE2 PHE B 306 61.542 -15.608 4.293 1.00 14.34 C ATOM 1818 CZ PHE B 306 61.626 -14.693 3.278 1.00 41.22 C ATOM 0 H PHE B 306 63.389 -12.847 9.489 1.00 23.43 H new ATOM 0 HA PHE B 306 61.744 -11.949 7.470 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.903 -13.052 7.090 1.00 53.41 H new ATOM 0 HB3 PHE B 306 63.278 -14.569 7.705 1.00 53.41 H new ATOM 0 HD1 PHE B 306 63.029 -12.147 4.941 1.00 42.23 H new ATOM 0 HD2 PHE B 306 61.938 -15.998 6.336 1.00 73.14 H new ATOM 0 HE1 PHE B 306 62.231 -12.737 2.711 1.00 4.02 H new ATOM 0 HE2 PHE B 306 61.117 -16.584 4.112 1.00 14.34 H new ATOM 0 HZ PHE B 306 61.269 -14.947 2.291 1.00 41.22 H new ATOM 1828 N GLU B 307 60.585 -14.625 8.890 1.00 22.24 N ATOM 1829 CA GLU B 307 59.459 -15.508 9.058 1.00 73.43 C ATOM 1830 C GLU B 307 58.160 -14.750 9.373 1.00 33.30 C ATOM 1831 O GLU B 307 57.075 -15.197 9.012 1.00 31.35 O ATOM 1832 CB GLU B 307 59.781 -16.479 10.176 1.00 34.14 C ATOM 1833 CG GLU B 307 58.716 -17.523 10.447 1.00 23.45 C ATOM 1834 CD GLU B 307 59.138 -18.505 11.500 1.00 64.23 C ATOM 1835 OE1 GLU B 307 59.211 -18.131 12.689 1.00 53.15 O ATOM 1836 OE2 GLU B 307 59.415 -19.664 11.164 1.00 13.13 O ATOM 0 H GLU B 307 61.345 -14.808 9.545 1.00 22.24 H new ATOM 0 HA GLU B 307 59.290 -16.037 8.120 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.714 -16.988 9.936 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.953 -15.912 11.091 1.00 34.14 H new ATOM 0 HG2 GLU B 307 57.797 -17.028 10.762 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.491 -18.057 9.524 1.00 23.45 H new ATOM 1843 N HIS B 308 58.268 -13.574 9.970 1.00 4.31 N ATOM 1844 CA HIS B 308 57.078 -12.889 10.406 1.00 63.23 C ATOM 1845 C HIS B 308 56.538 -12.019 9.305 1.00 43.42 C ATOM 1846 O HIS B 308 55.368 -12.093 8.967 1.00 4.03 O ATOM 1847 CB HIS B 308 57.349 -12.042 11.660 1.00 63.24 C ATOM 1848 CG HIS B 308 56.125 -11.383 12.244 1.00 24.31 C ATOM 1849 ND1 HIS B 308 55.906 -10.026 12.205 1.00 22.21 N ATOM 1850 CD2 HIS B 308 55.071 -11.908 12.903 1.00 2.42 C ATOM 1851 CE1 HIS B 308 54.781 -9.740 12.812 1.00 61.43 C ATOM 1852 NE2 HIS B 308 54.247 -10.867 13.245 1.00 65.13 N ATOM 0 H HIS B 308 59.146 -13.090 10.157 1.00 4.31 H new ATOM 0 HA HIS B 308 56.335 -13.645 10.659 1.00 63.23 H new ATOM 0 HB2 HIS B 308 57.803 -12.677 12.421 1.00 63.24 H new ATOM 0 HB3 HIS B 308 58.078 -11.271 11.412 1.00 63.24 H new ATOM 0 HD2 HIS B 308 54.907 -12.953 13.120 1.00 2.42 H new ATOM 0 HE1 HIS B 308 54.362 -8.752 12.937 1.00 61.43 H new ATOM 0 HE2 HIS B 308 53.365 -10.950 13.751 1.00 65.13 H new ATOM 1860 N LEU B 309 57.402 -11.246 8.707 1.00 64.14 N ATOM 1861 CA LEU B 309 56.948 -10.238 7.764 1.00 52.01 C ATOM 1862 C LEU B 309 56.683 -10.805 6.376 1.00 42.30 C ATOM 1863 O LEU B 309 55.912 -10.230 5.612 1.00 13.44 O ATOM 1864 CB LEU B 309 57.870 -8.997 7.742 1.00 30.00 C ATOM 1865 CG LEU B 309 59.188 -9.023 6.946 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.999 -7.831 7.300 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.016 -10.239 7.182 1.00 12.40 C ATOM 0 H LEU B 309 58.412 -11.286 8.846 1.00 64.14 H new ATOM 0 HA LEU B 309 55.981 -9.891 8.128 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.280 -8.163 7.362 1.00 30.00 H new ATOM 0 HB3 LEU B 309 58.122 -8.764 8.776 1.00 30.00 H new ATOM 0 HG LEU B 309 58.904 -9.027 5.894 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.933 -7.846 6.738 1.00 10.42 H new ATOM 0 HD12 LEU B 309 59.443 -6.926 7.054 1.00 10.42 H new ATOM 0 HD13 LEU B 309 60.218 -7.844 8.368 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.926 -10.181 6.585 1.00 12.40 H new ATOM 0 HD22 LEU B 309 60.278 -10.302 8.238 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.450 -11.126 6.895 1.00 12.40 H new ATOM 1879 N TRP B 310 57.281 -11.951 6.068 1.00 43.14 N ATOM 1880 CA TRP B 310 57.039 -12.590 4.798 1.00 14.01 C ATOM 1881 C TRP B 310 55.682 -13.245 4.842 1.00 31.23 C ATOM 1882 O TRP B 310 54.866 -13.052 3.963 1.00 14.12 O ATOM 1883 CB TRP B 310 58.128 -13.630 4.464 1.00 43.11 C ATOM 1884 CG TRP B 310 57.845 -14.408 3.203 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.110 -15.540 3.102 1.00 32.35 C ATOM 1886 CD2 TRP B 310 58.285 -14.114 1.876 1.00 15.41 C ATOM 1887 NE1 TRP B 310 57.054 -15.946 1.804 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.761 -15.107 1.037 1.00 2.52 C ATOM 1889 CE3 TRP B 310 59.061 -13.118 1.319 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.977 -15.133 -0.318 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 59.292 -13.136 -0.040 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.749 -14.142 -0.849 1.00 52.42 C ATOM 0 H TRP B 310 57.930 -12.446 6.680 1.00 43.14 H new ATOM 0 HA TRP B 310 57.069 -11.835 4.012 1.00 14.01 H new ATOM 0 HB2 TRP B 310 59.087 -13.121 4.361 1.00 43.11 H new ATOM 0 HB3 TRP B 310 58.224 -14.326 5.298 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.637 -16.047 3.930 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.549 -16.766 1.467 1.00 45.03 H new ATOM 0 HE3 TRP B 310 59.480 -12.338 1.937 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.552 -15.908 -0.939 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 59.900 -12.364 -0.487 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.945 -14.133 -1.911 1.00 52.42 H new ATOM 1903 N SER B 311 55.416 -13.954 5.924 1.00 14.42 N ATOM 1904 CA SER B 311 54.159 -14.666 6.099 1.00 14.14 C ATOM 1905 C SER B 311 52.980 -13.689 6.288 1.00 41.41 C ATOM 1906 O SER B 311 51.818 -14.084 6.374 1.00 31.14 O ATOM 1907 CB SER B 311 54.276 -15.585 7.300 1.00 42.43 C ATOM 1908 OG SER B 311 55.450 -16.380 7.202 1.00 14.24 O ATOM 0 H SER B 311 56.063 -14.054 6.706 1.00 14.42 H new ATOM 0 HA SER B 311 53.959 -15.250 5.201 1.00 14.14 H new ATOM 0 HB2 SER B 311 54.304 -14.995 8.216 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.398 -16.228 7.361 1.00 42.43 H new ATOM 0 HG SER B 311 56.133 -16.031 7.812 1.00 14.24 H new ATOM 1914 N SER B 312 53.296 -12.423 6.327 1.00 1.11 N ATOM 1915 CA SER B 312 52.327 -11.408 6.511 1.00 11.44 C ATOM 1916 C SER B 312 52.194 -10.561 5.249 1.00 60.40 C ATOM 1917 O SER B 312 51.628 -9.472 5.291 1.00 41.34 O ATOM 1918 CB SER B 312 52.721 -10.548 7.707 1.00 21.31 C ATOM 1919 OG SER B 312 52.824 -11.346 8.889 1.00 22.34 O ATOM 0 H SER B 312 54.250 -12.076 6.229 1.00 1.11 H new ATOM 0 HA SER B 312 51.356 -11.864 6.707 1.00 11.44 H new ATOM 0 HB2 SER B 312 53.673 -10.056 7.510 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.981 -9.762 7.856 1.00 21.31 H new ATOM 0 HG SER B 312 53.702 -11.782 8.914 1.00 22.34 H new ATOM 1925 N LEU B 313 52.669 -11.058 4.101 1.00 4.23 N ATOM 1926 CA LEU B 313 52.541 -10.251 2.914 1.00 14.51 C ATOM 1927 C LEU B 313 51.386 -10.737 2.070 1.00 52.23 C ATOM 1928 O LEU B 313 51.155 -10.261 0.962 1.00 52.02 O ATOM 1929 CB LEU B 313 53.886 -10.088 2.144 1.00 61.41 C ATOM 1930 CG LEU B 313 54.546 -11.314 1.500 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.850 -11.725 0.211 1.00 73.31 C ATOM 1932 CD2 LEU B 313 56.013 -11.035 1.254 1.00 23.23 C ATOM 0 H LEU B 313 53.119 -11.966 3.983 1.00 4.23 H new ATOM 0 HA LEU B 313 52.295 -9.232 3.214 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.723 -9.354 1.355 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.608 -9.656 2.837 1.00 61.41 H new ATOM 0 HG LEU B 313 54.450 -12.151 2.192 1.00 1.40 H new ATOM 0 HD11 LEU B 313 54.350 -12.597 -0.211 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.809 -11.971 0.422 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.891 -10.902 -0.503 1.00 73.31 H new ATOM 0 HD21 LEU B 313 56.478 -11.908 0.797 1.00 23.23 H new ATOM 0 HD22 LEU B 313 56.114 -10.179 0.587 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.506 -10.816 2.201 1.00 23.23 H new ATOM 1944 N GLU B 314 50.647 -11.678 2.636 1.00 50.02 N ATOM 1945 CA GLU B 314 49.442 -12.214 2.037 1.00 22.11 C ATOM 1946 C GLU B 314 48.350 -11.129 2.061 1.00 24.03 C ATOM 1947 O GLU B 314 48.432 -10.195 2.864 1.00 52.11 O ATOM 1948 CB GLU B 314 48.989 -13.482 2.801 1.00 41.12 C ATOM 1949 CG GLU B 314 48.696 -13.237 4.262 1.00 31.33 C ATOM 1950 CD GLU B 314 48.164 -14.458 4.983 1.00 73.45 C ATOM 1951 OE1 GLU B 314 48.764 -15.539 4.888 1.00 40.53 O ATOM 1952 OE2 GLU B 314 47.147 -14.346 5.687 1.00 13.23 O ATOM 0 H GLU B 314 50.874 -12.095 3.539 1.00 50.02 H new ATOM 0 HA GLU B 314 49.633 -12.501 1.003 1.00 22.11 H new ATOM 0 HB2 GLU B 314 48.096 -13.884 2.323 1.00 41.12 H new ATOM 0 HB3 GLU B 314 49.765 -14.243 2.718 1.00 41.12 H new ATOM 0 HG2 GLU B 314 49.608 -12.901 4.756 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.970 -12.428 4.349 1.00 31.33 H new ATOM 1959 N PRO B 315 47.338 -11.224 1.183 1.00 10.45 N ATOM 1960 CA PRO B 315 46.301 -10.198 1.070 1.00 54.32 C ATOM 1961 C PRO B 315 45.428 -10.072 2.313 1.00 3.22 C ATOM 1962 O PRO B 315 45.474 -9.060 3.013 1.00 2.51 O ATOM 1963 CB PRO B 315 45.462 -10.625 -0.143 1.00 25.23 C ATOM 1964 CG PRO B 315 45.820 -12.049 -0.418 1.00 44.42 C ATOM 1965 CD PRO B 315 47.146 -12.323 0.230 1.00 62.12 C ATOM 0 HA PRO B 315 46.752 -9.212 0.957 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.397 -10.525 0.066 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.678 -9.996 -1.006 1.00 25.23 H new ATOM 0 HG2 PRO B 315 45.056 -12.718 -0.022 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.875 -12.228 -1.492 1.00 44.42 H new ATOM 0 HD2 PRO B 315 47.146 -13.288 0.736 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.948 -12.350 -0.508 1.00 62.12 H new ATOM 1973 N ASP B 316 44.660 -11.093 2.595 1.00 41.21 N ATOM 1974 CA ASP B 316 43.731 -11.063 3.691 1.00 41.22 C ATOM 1975 C ASP B 316 43.337 -12.455 4.063 1.00 10.30 C ATOM 1976 O ASP B 316 42.667 -13.122 3.263 1.00 0.00 O ATOM 1977 CB ASP B 316 42.504 -10.223 3.338 1.00 11.05 C ATOM 1978 CG ASP B 316 41.406 -10.288 4.378 1.00 61.13 C ATOM 1979 OD1 ASP B 316 41.662 -9.981 5.562 1.00 52.21 O ATOM 1980 OD2 ASP B 316 40.249 -10.633 4.016 1.00 1.52 O ATOM 1981 OXT ASP B 316 43.692 -12.901 5.149 1.00 0.00 O ATOM 0 H ASP B 316 44.662 -11.968 2.070 1.00 41.21 H new ATOM 0 HA ASP B 316 44.216 -10.598 4.550 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.810 -9.185 3.209 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.107 -10.560 2.381 1.00 11.05 H new TER 1986 ASP B 316