USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 862 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 84 SER OG : rot -84:sc= 0.0201 USER MOD Set 1.2: A 99 THR OG1 : rot -50:sc= 0.019 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= -0.488 USER MOD Set 2.2: A 88 THR OG1 : rot -14:sc= 0.564 USER MOD Set 3.1: A 10 MET CE :methyl 166:sc= -1.8 (180deg=-2.46) USER MOD Set 3.2: A 33 SER OG : rot -174:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -152:sc= -5.24! (180deg=-6.12!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.624 K(o=-0.62,f=-3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-4.7!) USER MOD Single : A 38 GLN : amide:sc= -0.569 K(o=-0.57,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 75:sc= 0.384 USER MOD Single : A 43 SER OG : rot -54:sc= 1.03 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 0.00701 (180deg=-0.944) USER MOD Single : A 52 THR OG1 : rot 43:sc= 0.343 USER MOD Single : A 53 ASN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 57 ASN : amide:sc=-0.00067 X(o=-0.00067,f=-0.39) USER MOD Single : A 58 THR OG1 : rot -47:sc= -0.263! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0463 K(o=-0.046,f=-2.1!) USER MOD Single : A 64 ASN : amide:sc= -0.881 K(o=-0.88,f=-1.5) USER MOD Single : A 66 THR OG1 : rot 45:sc= 0.613 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 69 SER OG : rot 180:sc= -0.66 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.876 K(o=-0.88,f=-1.5) USER MOD Single : A 79 THR OG1 : rot -160:sc= -0.105 USER MOD Single : A 81 TYR OH : rot 130:sc= 0.654 USER MOD Single : A 86 MET CE :methyl -122:sc= -1.56 (180deg=-6.17!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= 0.0755 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 97 SER OG : rot -100:sc= 0.618 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -2.45 X(o=-2.5,f=-2) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 171:sc= 0.121 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.994 -16.181 22.937 1.00 0.00 N ATOM 2 CA GLY A 1 4.601 -17.336 23.574 1.00 0.00 C ATOM 3 C GLY A 1 5.976 -17.647 23.018 1.00 0.00 C ATOM 4 O GLY A 1 6.151 -18.620 22.285 1.00 0.00 O ATOM 0 H1 GLY A 1 3.056 -16.009 23.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.596 -15.346 23.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.895 -16.359 21.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.678 -17.157 24.647 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.954 -18.203 23.441 1.00 0.00 H new ATOM 8 N SER A 2 6.955 -16.819 23.367 1.00 0.00 N ATOM 9 CA SER A 2 8.322 -17.008 22.894 1.00 0.00 C ATOM 10 C SER A 2 9.320 -16.341 23.836 1.00 0.00 C ATOM 11 O SER A 2 8.957 -15.472 24.629 1.00 0.00 O ATOM 12 CB SER A 2 8.478 -16.440 21.482 1.00 0.00 C ATOM 13 OG SER A 2 9.625 -16.972 20.843 1.00 0.00 O ATOM 0 H SER A 2 6.827 -16.011 23.976 1.00 0.00 H new ATOM 0 HA SER A 2 8.529 -18.078 22.873 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.590 -16.671 20.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.555 -15.354 21.530 1.00 0.00 H new ATOM 0 HG SER A 2 9.702 -16.595 19.942 1.00 0.00 H new ATOM 19 N SER A 3 10.579 -16.756 23.743 1.00 0.00 N ATOM 20 CA SER A 3 11.630 -16.202 24.589 1.00 0.00 C ATOM 21 C SER A 3 11.844 -14.721 24.291 1.00 0.00 C ATOM 22 O SER A 3 11.920 -13.898 25.202 1.00 0.00 O ATOM 23 CB SER A 3 12.938 -16.970 24.381 1.00 0.00 C ATOM 24 OG SER A 3 13.822 -16.774 25.471 1.00 0.00 O ATOM 0 H SER A 3 10.896 -17.473 23.091 1.00 0.00 H new ATOM 0 HA SER A 3 11.317 -16.304 25.628 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.725 -18.033 24.267 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.415 -16.640 23.458 1.00 0.00 H new ATOM 0 HG SER A 3 14.649 -17.276 25.316 1.00 0.00 H new ATOM 30 N GLY A 4 11.940 -14.390 23.007 1.00 0.00 N ATOM 31 CA GLY A 4 12.145 -13.009 22.611 1.00 0.00 C ATOM 32 C GLY A 4 13.110 -12.875 21.450 1.00 0.00 C ATOM 33 O GLY A 4 14.197 -13.452 21.468 1.00 0.00 O ATOM 0 H GLY A 4 11.880 -15.053 22.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.187 -12.567 22.336 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.524 -12.443 23.462 1.00 0.00 H new ATOM 37 N SER A 5 12.712 -12.114 20.435 1.00 0.00 N ATOM 38 CA SER A 5 13.548 -11.912 19.258 1.00 0.00 C ATOM 39 C SER A 5 13.474 -10.464 18.782 1.00 0.00 C ATOM 40 O SER A 5 12.464 -9.787 18.973 1.00 0.00 O ATOM 41 CB SER A 5 13.116 -12.853 18.132 1.00 0.00 C ATOM 42 OG SER A 5 11.821 -12.524 17.660 1.00 0.00 O ATOM 0 H SER A 5 11.816 -11.628 20.405 1.00 0.00 H new ATOM 0 HA SER A 5 14.579 -12.135 19.532 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.831 -12.795 17.311 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.125 -13.882 18.491 1.00 0.00 H new ATOM 0 HG SER A 5 11.569 -13.139 16.940 1.00 0.00 H new ATOM 48 N SER A 6 14.552 -9.996 18.161 1.00 0.00 N ATOM 49 CA SER A 6 14.612 -8.628 17.661 1.00 0.00 C ATOM 50 C SER A 6 13.747 -8.466 16.414 1.00 0.00 C ATOM 51 O SER A 6 13.222 -9.442 15.879 1.00 0.00 O ATOM 52 CB SER A 6 16.059 -8.241 17.346 1.00 0.00 C ATOM 53 OG SER A 6 16.512 -8.881 16.165 1.00 0.00 O ATOM 0 H SER A 6 15.395 -10.544 17.992 1.00 0.00 H new ATOM 0 HA SER A 6 14.227 -7.967 18.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.132 -7.160 17.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.702 -8.515 18.182 1.00 0.00 H new ATOM 0 HG SER A 6 17.438 -8.616 15.984 1.00 0.00 H new ATOM 59 N GLY A 7 13.604 -7.226 15.957 1.00 0.00 N ATOM 60 CA GLY A 7 12.802 -6.958 14.778 1.00 0.00 C ATOM 61 C GLY A 7 13.477 -5.990 13.826 1.00 0.00 C ATOM 62 O GLY A 7 14.120 -5.025 14.240 1.00 0.00 O ATOM 0 H GLY A 7 14.029 -6.402 16.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.602 -7.895 14.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.838 -6.551 15.083 1.00 0.00 H new ATOM 66 N PRO A 8 13.334 -6.245 12.517 1.00 0.00 N ATOM 67 CA PRO A 8 13.929 -5.401 11.477 1.00 0.00 C ATOM 68 C PRO A 8 13.257 -4.035 11.384 1.00 0.00 C ATOM 69 O PRO A 8 12.485 -3.652 12.263 1.00 0.00 O ATOM 70 CB PRO A 8 13.694 -6.201 10.193 1.00 0.00 C ATOM 71 CG PRO A 8 12.503 -7.047 10.487 1.00 0.00 C ATOM 72 CD PRO A 8 12.581 -7.377 11.952 1.00 0.00 C ATOM 0 HA PRO A 8 14.979 -5.188 11.677 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.512 -5.542 9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.561 -6.812 9.943 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.580 -6.515 10.255 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.509 -7.954 9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.590 -7.463 12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.091 -8.325 12.124 1.00 0.00 H new ATOM 80 N MET A 9 13.554 -3.306 10.313 1.00 0.00 N ATOM 81 CA MET A 9 12.976 -1.983 10.105 1.00 0.00 C ATOM 82 C MET A 9 11.493 -1.976 10.464 1.00 0.00 C ATOM 83 O MET A 9 10.848 -3.023 10.497 1.00 0.00 O ATOM 84 CB MET A 9 13.163 -1.544 8.652 1.00 0.00 C ATOM 85 CG MET A 9 14.621 -1.441 8.232 1.00 0.00 C ATOM 86 SD MET A 9 14.842 -1.600 6.449 1.00 0.00 S ATOM 87 CE MET A 9 13.965 -0.150 5.869 1.00 0.00 C ATOM 0 H MET A 9 14.191 -3.609 9.576 1.00 0.00 H new ATOM 0 HA MET A 9 13.494 -1.281 10.758 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.654 -2.252 7.998 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.683 -0.576 8.509 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.023 -0.482 8.560 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.196 -2.217 8.736 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.578 -0.335 4.867 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.137 0.068 6.543 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.646 0.701 5.844 1.00 0.00 H new ATOM 97 N MET A 10 10.960 -0.788 10.731 1.00 0.00 N ATOM 98 CA MET A 10 9.552 -0.645 11.086 1.00 0.00 C ATOM 99 C MET A 10 8.731 -0.197 9.881 1.00 0.00 C ATOM 100 O MET A 10 9.171 0.615 9.067 1.00 0.00 O ATOM 101 CB MET A 10 9.392 0.358 12.229 1.00 0.00 C ATOM 102 CG MET A 10 9.494 1.808 11.785 1.00 0.00 C ATOM 103 SD MET A 10 11.200 2.370 11.633 1.00 0.00 S ATOM 104 CE MET A 10 11.368 2.466 9.853 1.00 0.00 C ATOM 0 H MET A 10 11.481 0.089 10.708 1.00 0.00 H new ATOM 0 HA MET A 10 9.184 -1.618 11.412 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.425 0.200 12.707 1.00 0.00 H new ATOM 0 HB3 MET A 10 10.155 0.163 12.982 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.990 1.926 10.826 1.00 0.00 H new ATOM 0 HG3 MET A 10 8.970 2.441 12.501 1.00 0.00 H new ATOM 0 HE1 MET A 10 12.268 3.028 9.602 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.441 1.460 9.440 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.497 2.969 9.432 1.00 0.00 H new ATOM 114 N PRO A 11 7.508 -0.736 9.763 1.00 0.00 N ATOM 115 CA PRO A 11 6.600 -0.405 8.661 1.00 0.00 C ATOM 116 C PRO A 11 6.068 1.021 8.757 1.00 0.00 C ATOM 117 O PRO A 11 6.168 1.678 9.793 1.00 0.00 O ATOM 118 CB PRO A 11 5.460 -1.413 8.827 1.00 0.00 C ATOM 119 CG PRO A 11 5.478 -1.771 10.273 1.00 0.00 C ATOM 120 CD PRO A 11 6.919 -1.710 10.697 1.00 0.00 C ATOM 0 HA PRO A 11 7.097 -0.458 7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.503 -0.979 8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.614 -2.291 8.200 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.871 -1.077 10.854 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.066 -2.767 10.433 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.020 -1.385 11.733 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.402 -2.684 10.620 1.00 0.00 H new ATOM 128 N PRO A 12 5.489 1.512 7.651 1.00 0.00 N ATOM 129 CA PRO A 12 4.930 2.865 7.585 1.00 0.00 C ATOM 130 C PRO A 12 3.668 3.012 8.430 1.00 0.00 C ATOM 131 O PRO A 12 3.233 2.065 9.084 1.00 0.00 O ATOM 132 CB PRO A 12 4.603 3.042 6.101 1.00 0.00 C ATOM 133 CG PRO A 12 4.402 1.658 5.589 1.00 0.00 C ATOM 134 CD PRO A 12 5.336 0.785 6.380 1.00 0.00 C ATOM 0 HA PRO A 12 5.622 3.612 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.708 3.649 5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.414 3.545 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.367 1.340 5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.622 1.600 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.921 -0.211 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.292 0.657 5.873 1.00 0.00 H new ATOM 142 N VAL A 13 3.085 4.207 8.411 1.00 0.00 N ATOM 143 CA VAL A 13 1.872 4.477 9.174 1.00 0.00 C ATOM 144 C VAL A 13 0.906 5.348 8.378 1.00 0.00 C ATOM 145 O VAL A 13 1.179 5.714 7.236 1.00 0.00 O ATOM 146 CB VAL A 13 2.193 5.174 10.509 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.033 4.268 11.396 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.901 6.498 10.263 1.00 0.00 C ATOM 0 H VAL A 13 3.433 5.003 7.876 1.00 0.00 H new ATOM 0 HA VAL A 13 1.405 3.514 9.379 1.00 0.00 H new ATOM 0 HB VAL A 13 1.255 5.380 11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.250 4.778 12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.484 3.349 11.600 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.968 4.028 10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.120 6.976 11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.832 6.318 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.259 7.149 9.670 1.00 0.00 H new ATOM 158 N GLY A 14 -0.228 5.676 8.991 1.00 0.00 N ATOM 159 CA GLY A 14 -1.219 6.501 8.326 1.00 0.00 C ATOM 160 C GLY A 14 -1.699 5.894 7.023 1.00 0.00 C ATOM 161 O GLY A 14 -2.231 6.594 6.161 1.00 0.00 O ATOM 0 H GLY A 14 -0.477 5.385 9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.071 6.647 8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.795 7.486 8.130 1.00 0.00 H new ATOM 165 N VAL A 15 -1.510 4.586 6.876 1.00 0.00 N ATOM 166 CA VAL A 15 -1.927 3.884 5.668 1.00 0.00 C ATOM 167 C VAL A 15 -3.441 3.934 5.499 1.00 0.00 C ATOM 168 O VAL A 15 -4.179 3.269 6.225 1.00 0.00 O ATOM 169 CB VAL A 15 -1.472 2.413 5.689 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.780 1.740 4.360 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.011 2.319 6.012 1.00 0.00 C ATOM 0 H VAL A 15 -1.071 3.991 7.579 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.454 4.391 4.827 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.024 1.891 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.451 0.701 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.854 1.775 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.256 2.261 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.315 1.272 6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.583 2.856 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.199 2.762 6.990 1.00 0.00 H new ATOM 181 N GLN A 16 -3.898 4.727 4.535 1.00 0.00 N ATOM 182 CA GLN A 16 -5.325 4.864 4.270 1.00 0.00 C ATOM 183 C GLN A 16 -5.618 4.730 2.779 1.00 0.00 C ATOM 184 O GLN A 16 -4.721 4.863 1.947 1.00 0.00 O ATOM 185 CB GLN A 16 -5.833 6.212 4.783 1.00 0.00 C ATOM 186 CG GLN A 16 -7.336 6.249 5.011 1.00 0.00 C ATOM 187 CD GLN A 16 -7.748 7.304 6.018 1.00 0.00 C ATOM 188 OE1 GLN A 16 -8.380 7.000 7.030 1.00 0.00 O ATOM 189 NE2 GLN A 16 -7.391 8.554 5.746 1.00 0.00 N ATOM 0 H GLN A 16 -3.300 5.284 3.925 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.845 4.064 4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.326 6.450 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.563 6.989 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.839 6.441 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.671 5.271 5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.868 8.761 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.640 9.307 6.388 1.00 0.00 H new ATOM 198 N ALA A 17 -6.878 4.468 2.450 1.00 0.00 N ATOM 199 CA ALA A 17 -7.289 4.318 1.059 1.00 0.00 C ATOM 200 C ALA A 17 -8.553 5.120 0.771 1.00 0.00 C ATOM 201 O ALA A 17 -9.650 4.736 1.178 1.00 0.00 O ATOM 202 CB ALA A 17 -7.507 2.849 0.728 1.00 0.00 C ATOM 0 H ALA A 17 -7.632 4.355 3.127 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.491 4.707 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.813 2.752 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.579 2.299 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.285 2.442 1.374 1.00 0.00 H new ATOM 208 N SER A 18 -8.393 6.237 0.068 1.00 0.00 N ATOM 209 CA SER A 18 -9.521 7.096 -0.271 1.00 0.00 C ATOM 210 C SER A 18 -10.137 6.684 -1.604 1.00 0.00 C ATOM 211 O SER A 18 -9.504 6.799 -2.654 1.00 0.00 O ATOM 212 CB SER A 18 -9.076 8.558 -0.332 1.00 0.00 C ATOM 213 OG SER A 18 -8.897 9.092 0.969 1.00 0.00 O ATOM 0 H SER A 18 -7.492 6.568 -0.278 1.00 0.00 H new ATOM 0 HA SER A 18 -10.276 6.986 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.144 8.634 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.820 9.146 -0.870 1.00 0.00 H new ATOM 0 HG SER A 18 -8.611 10.027 0.902 1.00 0.00 H new ATOM 219 N ILE A 19 -11.375 6.203 -1.554 1.00 0.00 N ATOM 220 CA ILE A 19 -12.077 5.775 -2.757 1.00 0.00 C ATOM 221 C ILE A 19 -12.462 6.969 -3.624 1.00 0.00 C ATOM 222 O ILE A 19 -13.476 7.625 -3.381 1.00 0.00 O ATOM 223 CB ILE A 19 -13.347 4.974 -2.413 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.991 3.754 -1.560 1.00 0.00 C ATOM 225 CG2 ILE A 19 -14.064 4.547 -3.684 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.710 3.072 -1.986 1.00 0.00 C ATOM 0 H ILE A 19 -11.912 6.100 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.391 5.134 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.017 5.613 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.900 4.063 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.809 3.035 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.959 3.982 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.346 5.430 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.402 3.922 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.520 2.216 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.804 2.732 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.881 3.775 -1.910 1.00 0.00 H new ATOM 238 N LEU A 20 -11.648 7.245 -4.636 1.00 0.00 N ATOM 239 CA LEU A 20 -11.904 8.360 -5.542 1.00 0.00 C ATOM 240 C LEU A 20 -12.802 7.928 -6.696 1.00 0.00 C ATOM 241 O LEU A 20 -13.728 8.645 -7.076 1.00 0.00 O ATOM 242 CB LEU A 20 -10.585 8.914 -6.086 1.00 0.00 C ATOM 243 CG LEU A 20 -9.652 9.554 -5.058 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.378 10.046 -5.728 1.00 0.00 C ATOM 245 CD2 LEU A 20 -10.354 10.696 -4.338 1.00 0.00 C ATOM 0 H LEU A 20 -10.805 6.712 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.416 9.142 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.049 8.103 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.814 9.656 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.382 8.798 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.726 10.499 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.865 9.206 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.629 10.787 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.675 11.140 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.654 11.453 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.237 10.315 -3.825 1.00 0.00 H new ATOM 257 N SER A 21 -12.523 6.752 -7.249 1.00 0.00 N ATOM 258 CA SER A 21 -13.305 6.226 -8.361 1.00 0.00 C ATOM 259 C SER A 21 -13.443 4.709 -8.259 1.00 0.00 C ATOM 260 O SER A 21 -12.996 4.098 -7.288 1.00 0.00 O ATOM 261 CB SER A 21 -12.653 6.601 -9.693 1.00 0.00 C ATOM 262 OG SER A 21 -12.601 8.007 -9.857 1.00 0.00 O ATOM 0 H SER A 21 -11.761 6.146 -6.945 1.00 0.00 H new ATOM 0 HA SER A 21 -14.300 6.668 -8.314 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.645 6.189 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.215 6.156 -10.514 1.00 0.00 H new ATOM 0 HG SER A 21 -12.179 8.221 -10.715 1.00 0.00 H new ATOM 268 N HIS A 22 -14.066 4.109 -9.268 1.00 0.00 N ATOM 269 CA HIS A 22 -14.263 2.664 -9.293 1.00 0.00 C ATOM 270 C HIS A 22 -12.930 1.936 -9.442 1.00 0.00 C ATOM 271 O HIS A 22 -12.755 0.830 -8.929 1.00 0.00 O ATOM 272 CB HIS A 22 -15.200 2.275 -10.437 1.00 0.00 C ATOM 273 CG HIS A 22 -14.664 2.619 -11.793 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.571 3.914 -12.259 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.190 1.829 -12.784 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.065 3.905 -13.479 1.00 0.00 C ATOM 277 NE2 HIS A 22 -13.824 2.652 -13.821 1.00 0.00 N ATOM 0 H HIS A 22 -14.443 4.600 -10.078 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.715 2.368 -8.346 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.390 1.203 -10.392 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.159 2.775 -10.297 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.114 0.752 -12.763 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.880 4.774 -14.093 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.430 2.345 -14.711 1.00 0.00 H new ATOM 286 N ASP A 23 -11.995 2.563 -10.146 1.00 0.00 N ATOM 287 CA ASP A 23 -10.678 1.975 -10.363 1.00 0.00 C ATOM 288 C ASP A 23 -9.575 2.951 -9.962 1.00 0.00 C ATOM 289 O ASP A 23 -8.466 2.905 -10.495 1.00 0.00 O ATOM 290 CB ASP A 23 -10.510 1.571 -11.828 1.00 0.00 C ATOM 291 CG ASP A 23 -10.257 2.761 -12.732 1.00 0.00 C ATOM 292 OD1 ASP A 23 -10.717 3.872 -12.393 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.599 2.583 -13.779 1.00 0.00 O ATOM 0 H ASP A 23 -12.124 3.479 -10.577 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.597 1.085 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.680 0.869 -11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.406 1.048 -12.163 1.00 0.00 H new ATOM 298 N THR A 24 -9.887 3.835 -9.020 1.00 0.00 N ATOM 299 CA THR A 24 -8.925 4.823 -8.549 1.00 0.00 C ATOM 300 C THR A 24 -8.984 4.970 -7.033 1.00 0.00 C ATOM 301 O THR A 24 -10.062 5.126 -6.457 1.00 0.00 O ATOM 302 CB THR A 24 -9.170 6.199 -9.197 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.519 6.036 -10.576 1.00 0.00 O ATOM 304 CG2 THR A 24 -7.934 7.079 -9.082 1.00 0.00 C ATOM 0 H THR A 24 -10.800 3.887 -8.568 1.00 0.00 H new ATOM 0 HA THR A 24 -7.937 4.464 -8.838 1.00 0.00 H new ATOM 0 HB THR A 24 -9.992 6.683 -8.670 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.675 6.915 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.131 8.045 -9.546 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.688 7.225 -8.030 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.096 6.598 -9.587 1.00 0.00 H new ATOM 312 N ILE A 25 -7.821 4.920 -6.392 1.00 0.00 N ATOM 313 CA ILE A 25 -7.742 5.050 -4.943 1.00 0.00 C ATOM 314 C ILE A 25 -6.456 5.753 -4.523 1.00 0.00 C ATOM 315 O ILE A 25 -5.375 5.444 -5.026 1.00 0.00 O ATOM 316 CB ILE A 25 -7.813 3.677 -4.250 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.122 2.968 -4.606 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.684 3.837 -2.742 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.115 1.490 -4.286 1.00 0.00 C ATOM 0 H ILE A 25 -6.921 4.790 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.598 5.649 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.983 3.065 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.942 3.444 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.320 3.100 -5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.736 2.858 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.728 4.305 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.495 4.464 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.074 1.053 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.317 1.001 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.949 1.350 -3.218 1.00 0.00 H new ATOM 331 N ARG A 26 -6.579 6.699 -3.598 1.00 0.00 N ATOM 332 CA ARG A 26 -5.426 7.445 -3.110 1.00 0.00 C ATOM 333 C ARG A 26 -4.823 6.771 -1.881 1.00 0.00 C ATOM 334 O ARG A 26 -5.438 6.738 -0.814 1.00 0.00 O ATOM 335 CB ARG A 26 -5.828 8.882 -2.771 1.00 0.00 C ATOM 336 CG ARG A 26 -4.644 9.814 -2.571 1.00 0.00 C ATOM 337 CD ARG A 26 -5.050 11.271 -2.725 1.00 0.00 C ATOM 338 NE ARG A 26 -3.892 12.151 -2.863 1.00 0.00 N ATOM 339 CZ ARG A 26 -3.941 13.344 -3.444 1.00 0.00 C ATOM 340 NH1 ARG A 26 -5.084 13.799 -3.938 1.00 0.00 N ATOM 341 NH2 ARG A 26 -2.844 14.086 -3.531 1.00 0.00 N ATOM 0 H ARG A 26 -7.466 6.967 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.675 7.462 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.456 9.273 -3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.433 8.877 -1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.219 9.656 -1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.864 9.574 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.692 11.378 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.637 11.577 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.997 11.831 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.929 13.232 -3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.118 14.716 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.963 13.740 -3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.882 15.002 -3.977 1.00 0.00 H new ATOM 355 N ILE A 27 -3.617 6.236 -2.038 1.00 0.00 N ATOM 356 CA ILE A 27 -2.931 5.564 -0.941 1.00 0.00 C ATOM 357 C ILE A 27 -1.778 6.410 -0.413 1.00 0.00 C ATOM 358 O ILE A 27 -0.684 6.413 -0.979 1.00 0.00 O ATOM 359 CB ILE A 27 -2.388 4.189 -1.375 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.526 3.304 -1.886 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.665 3.516 -0.218 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.609 3.060 -0.858 1.00 0.00 C ATOM 0 H ILE A 27 -3.095 6.255 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.666 5.422 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.676 4.336 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.970 3.769 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.116 2.346 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.287 2.546 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.832 4.141 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.357 3.378 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.383 2.425 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.179 2.567 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.046 4.012 -0.557 1.00 0.00 H new ATOM 374 N THR A 28 -2.029 7.128 0.678 1.00 0.00 N ATOM 375 CA THR A 28 -1.012 7.978 1.284 1.00 0.00 C ATOM 376 C THR A 28 -0.659 7.498 2.687 1.00 0.00 C ATOM 377 O THR A 28 -1.533 7.093 3.453 1.00 0.00 O ATOM 378 CB THR A 28 -1.477 9.445 1.357 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.737 9.526 2.033 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.604 10.043 -0.036 1.00 0.00 C ATOM 0 H THR A 28 -2.928 7.137 1.160 1.00 0.00 H new ATOM 0 HA THR A 28 -0.128 7.916 0.649 1.00 0.00 H new ATOM 0 HB THR A 28 -0.730 10.013 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.025 10.462 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.934 11.079 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.637 10.006 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.333 9.473 -0.612 1.00 0.00 H new ATOM 388 N TRP A 29 0.626 7.547 3.017 1.00 0.00 N ATOM 389 CA TRP A 29 1.095 7.117 4.330 1.00 0.00 C ATOM 390 C TRP A 29 2.106 8.107 4.898 1.00 0.00 C ATOM 391 O TRP A 29 2.382 9.143 4.293 1.00 0.00 O ATOM 392 CB TRP A 29 1.720 5.725 4.240 1.00 0.00 C ATOM 393 CG TRP A 29 2.855 5.645 3.265 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.171 5.911 3.515 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.774 5.277 1.883 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.913 5.730 2.372 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.079 5.340 1.358 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.726 4.897 1.040 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.361 5.039 0.028 1.00 0.00 C ATOM 400 CZ3 TRP A 29 2.008 4.599 -0.279 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.316 4.671 -0.775 1.00 0.00 C ATOM 0 H TRP A 29 1.362 7.880 2.394 1.00 0.00 H new ATOM 0 HA TRP A 29 0.237 7.079 5.001 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.077 5.430 5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.952 5.008 3.952 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.570 6.218 4.470 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.921 5.864 2.292 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.714 4.837 1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.369 5.094 -0.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.206 4.305 -0.940 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.503 4.431 -1.811 1.00 0.00 H new ATOM 412 N ALA A 30 2.656 7.781 6.063 1.00 0.00 N ATOM 413 CA ALA A 30 3.639 8.641 6.711 1.00 0.00 C ATOM 414 C ALA A 30 4.793 7.823 7.280 1.00 0.00 C ATOM 415 O ALA A 30 4.694 6.604 7.419 1.00 0.00 O ATOM 416 CB ALA A 30 2.980 9.462 7.809 1.00 0.00 C ATOM 0 H ALA A 30 2.438 6.928 6.577 1.00 0.00 H new ATOM 0 HA ALA A 30 4.044 9.319 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.726 10.099 8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.194 10.082 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.547 8.793 8.553 1.00 0.00 H new ATOM 422 N ASP A 31 5.888 8.501 7.607 1.00 0.00 N ATOM 423 CA ASP A 31 7.062 7.837 8.161 1.00 0.00 C ATOM 424 C ASP A 31 7.584 8.587 9.382 1.00 0.00 C ATOM 425 O ASP A 31 7.778 9.801 9.341 1.00 0.00 O ATOM 426 CB ASP A 31 8.162 7.732 7.103 1.00 0.00 C ATOM 427 CG ASP A 31 9.551 7.732 7.710 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.923 8.744 8.338 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.266 6.719 7.556 1.00 0.00 O ATOM 0 H ASP A 31 5.987 9.510 7.498 1.00 0.00 H new ATOM 0 HA ASP A 31 6.769 6.834 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.021 6.818 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.073 8.566 6.407 1.00 0.00 H new ATOM 434 N ASN A 32 7.809 7.855 10.469 1.00 0.00 N ATOM 435 CA ASN A 32 8.307 8.451 11.703 1.00 0.00 C ATOM 436 C ASN A 32 9.819 8.280 11.818 1.00 0.00 C ATOM 437 O ASN A 32 10.512 9.143 12.358 1.00 0.00 O ATOM 438 CB ASN A 32 7.617 7.820 12.914 1.00 0.00 C ATOM 439 CG ASN A 32 7.511 6.311 12.797 1.00 0.00 C ATOM 440 OD1 ASN A 32 8.521 5.609 12.746 1.00 0.00 O ATOM 441 ND2 ASN A 32 6.283 5.807 12.753 1.00 0.00 N ATOM 0 H ASN A 32 7.654 6.848 10.520 1.00 0.00 H new ATOM 0 HA ASN A 32 8.081 9.517 11.680 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.171 8.074 13.818 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.619 8.244 13.022 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.148 4.799 12.674 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.475 6.428 12.798 1.00 0.00 H new ATOM 448 N SER A 33 10.323 7.162 11.306 1.00 0.00 N ATOM 449 CA SER A 33 11.752 6.876 11.354 1.00 0.00 C ATOM 450 C SER A 33 12.564 8.087 10.905 1.00 0.00 C ATOM 451 O SER A 33 13.472 8.536 11.606 1.00 0.00 O ATOM 452 CB SER A 33 12.082 5.671 10.471 1.00 0.00 C ATOM 453 OG SER A 33 13.467 5.374 10.511 1.00 0.00 O ATOM 0 H SER A 33 9.763 6.440 10.853 1.00 0.00 H new ATOM 0 HA SER A 33 12.017 6.645 12.386 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.511 4.804 10.805 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.780 5.875 9.444 1.00 0.00 H new ATOM 0 HG SER A 33 13.668 4.662 9.868 1.00 0.00 H new ATOM 459 N LEU A 34 12.231 8.612 9.731 1.00 0.00 N ATOM 460 CA LEU A 34 12.928 9.772 9.186 1.00 0.00 C ATOM 461 C LEU A 34 13.115 10.846 10.253 1.00 0.00 C ATOM 462 O LEU A 34 12.345 10.947 11.209 1.00 0.00 O ATOM 463 CB LEU A 34 12.154 10.346 7.999 1.00 0.00 C ATOM 464 CG LEU A 34 12.021 9.433 6.779 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.940 9.948 5.842 1.00 0.00 C ATOM 466 CD2 LEU A 34 13.352 9.320 6.050 1.00 0.00 C ATOM 0 H LEU A 34 11.483 8.253 9.138 1.00 0.00 H new ATOM 0 HA LEU A 34 13.912 9.447 8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.153 10.613 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.641 11.269 7.685 1.00 0.00 H new ATOM 0 HG LEU A 34 11.732 8.440 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.860 9.286 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.986 9.976 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.198 10.952 5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.239 8.667 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.671 10.308 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.101 8.904 6.723 1.00 0.00 H new ATOM 478 N PRO A 35 14.160 11.670 10.088 1.00 0.00 N ATOM 479 CA PRO A 35 14.471 12.753 11.025 1.00 0.00 C ATOM 480 C PRO A 35 13.447 13.882 10.967 1.00 0.00 C ATOM 481 O PRO A 35 12.467 13.807 10.226 1.00 0.00 O ATOM 482 CB PRO A 35 15.840 13.249 10.554 1.00 0.00 C ATOM 483 CG PRO A 35 15.897 12.887 9.110 1.00 0.00 C ATOM 484 CD PRO A 35 15.119 11.608 8.972 1.00 0.00 C ATOM 0 HA PRO A 35 14.459 12.411 12.060 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.942 14.325 10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.647 12.775 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.465 13.675 8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.928 12.754 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.612 11.548 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.766 10.734 9.046 1.00 0.00 H new ATOM 492 N LYS A 36 13.681 14.927 11.753 1.00 0.00 N ATOM 493 CA LYS A 36 12.780 16.074 11.790 1.00 0.00 C ATOM 494 C LYS A 36 12.212 16.364 10.404 1.00 0.00 C ATOM 495 O LYS A 36 11.014 16.207 10.168 1.00 0.00 O ATOM 496 CB LYS A 36 13.513 17.307 12.321 1.00 0.00 C ATOM 497 CG LYS A 36 13.491 17.422 13.836 1.00 0.00 C ATOM 498 CD LYS A 36 14.527 18.415 14.334 1.00 0.00 C ATOM 499 CE LYS A 36 14.009 19.843 14.266 1.00 0.00 C ATOM 500 NZ LYS A 36 13.233 20.211 15.483 1.00 0.00 N ATOM 0 H LYS A 36 14.487 15.004 12.373 1.00 0.00 H new ATOM 0 HA LYS A 36 11.954 15.834 12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.549 17.278 11.982 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.062 18.201 11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.499 17.734 14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.680 16.444 14.279 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.799 18.174 15.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.434 18.327 13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.848 20.528 14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.378 19.959 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.897 21.192 15.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.417 19.573 15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.842 20.125 16.322 1.00 0.00 H new ATOM 514 N HIS A 37 13.080 16.789 9.491 1.00 0.00 N ATOM 515 CA HIS A 37 12.665 17.099 8.128 1.00 0.00 C ATOM 516 C HIS A 37 12.275 15.830 7.376 1.00 0.00 C ATOM 517 O HIS A 37 12.963 14.813 7.458 1.00 0.00 O ATOM 518 CB HIS A 37 13.787 17.823 7.382 1.00 0.00 C ATOM 519 CG HIS A 37 15.036 17.008 7.243 1.00 0.00 C ATOM 520 ND1 HIS A 37 15.092 15.833 6.524 1.00 0.00 N ATOM 521 CD2 HIS A 37 16.281 17.206 7.735 1.00 0.00 C ATOM 522 CE1 HIS A 37 16.317 15.342 6.581 1.00 0.00 C ATOM 523 NE2 HIS A 37 17.059 16.157 7.309 1.00 0.00 N ATOM 0 H HIS A 37 14.075 16.926 9.671 1.00 0.00 H new ATOM 0 HA HIS A 37 11.793 17.752 8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.432 18.101 6.390 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.023 18.749 7.907 1.00 0.00 H new ATOM 0 HD1 HIS A 37 14.310 15.409 6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.603 18.035 8.348 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.654 14.429 6.112 1.00 0.00 H new ATOM 532 N GLN A 38 11.167 15.898 6.645 1.00 0.00 N ATOM 533 CA GLN A 38 10.685 14.754 5.881 1.00 0.00 C ATOM 534 C GLN A 38 11.379 14.673 4.525 1.00 0.00 C ATOM 535 O GLN A 38 10.797 15.016 3.496 1.00 0.00 O ATOM 536 CB GLN A 38 9.171 14.844 5.686 1.00 0.00 C ATOM 537 CG GLN A 38 8.373 14.370 6.891 1.00 0.00 C ATOM 538 CD GLN A 38 8.056 12.889 6.835 1.00 0.00 C ATOM 539 OE1 GLN A 38 7.030 12.482 6.289 1.00 0.00 O ATOM 540 NE2 GLN A 38 8.938 12.073 7.400 1.00 0.00 N ATOM 0 H GLN A 38 10.587 16.733 6.566 1.00 0.00 H new ATOM 0 HA GLN A 38 10.919 13.850 6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.902 15.877 5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.889 14.249 4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.935 14.583 7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.443 14.935 6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.775 12.454 7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.778 11.066 7.393 1.00 0.00 H new ATOM 549 N LYS A 39 12.628 14.219 4.532 1.00 0.00 N ATOM 550 CA LYS A 39 13.403 14.092 3.303 1.00 0.00 C ATOM 551 C LYS A 39 13.786 12.637 3.049 1.00 0.00 C ATOM 552 O LYS A 39 14.474 12.016 3.860 1.00 0.00 O ATOM 553 CB LYS A 39 14.663 14.956 3.379 1.00 0.00 C ATOM 554 CG LYS A 39 15.414 15.055 2.062 1.00 0.00 C ATOM 555 CD LYS A 39 14.917 16.220 1.223 1.00 0.00 C ATOM 556 CE LYS A 39 15.774 16.418 -0.018 1.00 0.00 C ATOM 557 NZ LYS A 39 15.017 17.087 -1.113 1.00 0.00 N ATOM 0 H LYS A 39 13.125 13.933 5.375 1.00 0.00 H new ATOM 0 HA LYS A 39 12.783 14.436 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.387 15.958 3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.329 14.546 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.480 15.175 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.295 14.126 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.883 16.042 0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.926 17.131 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.649 17.016 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.138 15.451 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.635 17.204 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.196 16.504 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.691 18.020 -0.790 1.00 0.00 H new ATOM 571 N ILE A 40 13.338 12.101 1.919 1.00 0.00 N ATOM 572 CA ILE A 40 13.637 10.721 1.558 1.00 0.00 C ATOM 573 C ILE A 40 15.003 10.611 0.890 1.00 0.00 C ATOM 574 O ILE A 40 15.122 10.724 -0.331 1.00 0.00 O ATOM 575 CB ILE A 40 12.567 10.142 0.612 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.215 10.064 1.323 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.990 8.769 0.113 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.089 9.592 0.430 1.00 0.00 C ATOM 0 H ILE A 40 12.767 12.601 1.238 1.00 0.00 H new ATOM 0 HA ILE A 40 13.641 10.146 2.484 1.00 0.00 H new ATOM 0 HB ILE A 40 12.466 10.804 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.300 9.389 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.965 11.048 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.225 8.373 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.933 8.853 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.116 8.096 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.161 9.561 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.977 10.280 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.317 8.595 0.053 1.00 0.00 H new ATOM 590 N THR A 41 16.035 10.387 1.698 1.00 0.00 N ATOM 591 CA THR A 41 17.393 10.261 1.187 1.00 0.00 C ATOM 592 C THR A 41 18.100 9.054 1.794 1.00 0.00 C ATOM 593 O THR A 41 19.274 9.128 2.157 1.00 0.00 O ATOM 594 CB THR A 41 18.223 11.526 1.476 1.00 0.00 C ATOM 595 OG1 THR A 41 18.521 11.607 2.874 1.00 0.00 O ATOM 596 CG2 THR A 41 17.474 12.776 1.039 1.00 0.00 C ATOM 0 H THR A 41 15.955 10.289 2.710 1.00 0.00 H new ATOM 0 HA THR A 41 17.312 10.127 0.108 1.00 0.00 H new ATOM 0 HB THR A 41 19.152 11.462 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.222 10.960 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.080 13.657 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.274 12.725 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.531 12.844 1.582 1.00 0.00 H new ATOM 604 N ASP A 42 17.377 7.944 1.902 1.00 0.00 N ATOM 605 CA ASP A 42 17.936 6.720 2.464 1.00 0.00 C ATOM 606 C ASP A 42 18.048 5.634 1.398 1.00 0.00 C ATOM 607 O ASP A 42 17.979 4.443 1.701 1.00 0.00 O ATOM 608 CB ASP A 42 17.071 6.226 3.624 1.00 0.00 C ATOM 609 CG ASP A 42 17.717 5.082 4.382 1.00 0.00 C ATOM 610 OD1 ASP A 42 18.883 5.232 4.800 1.00 0.00 O ATOM 611 OD2 ASP A 42 17.056 4.036 4.554 1.00 0.00 O ATOM 0 H ASP A 42 16.403 7.867 1.608 1.00 0.00 H new ATOM 0 HA ASP A 42 18.936 6.943 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.882 7.052 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.103 5.903 3.240 1.00 0.00 H new ATOM 616 N SER A 43 18.220 6.054 0.149 1.00 0.00 N ATOM 617 CA SER A 43 18.337 5.118 -0.963 1.00 0.00 C ATOM 618 C SER A 43 17.426 3.912 -0.756 1.00 0.00 C ATOM 619 O SER A 43 17.805 2.777 -1.044 1.00 0.00 O ATOM 620 CB SER A 43 19.787 4.655 -1.118 1.00 0.00 C ATOM 621 OG SER A 43 19.921 3.751 -2.200 1.00 0.00 O ATOM 0 H SER A 43 18.281 7.036 -0.118 1.00 0.00 H new ATOM 0 HA SER A 43 18.028 5.633 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.432 5.518 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.120 4.176 -0.197 1.00 0.00 H new ATOM 0 HG SER A 43 19.286 3.012 -2.090 1.00 0.00 H new ATOM 627 N ARG A 44 16.222 4.167 -0.254 1.00 0.00 N ATOM 628 CA ARG A 44 15.256 3.104 -0.006 1.00 0.00 C ATOM 629 C ARG A 44 14.101 3.175 -1.001 1.00 0.00 C ATOM 630 O ARG A 44 13.874 4.208 -1.631 1.00 0.00 O ATOM 631 CB ARG A 44 14.718 3.197 1.423 1.00 0.00 C ATOM 632 CG ARG A 44 13.871 4.433 1.676 1.00 0.00 C ATOM 633 CD ARG A 44 12.414 4.193 1.310 1.00 0.00 C ATOM 634 NE ARG A 44 11.767 5.406 0.817 1.00 0.00 N ATOM 635 CZ ARG A 44 10.743 5.401 -0.029 1.00 0.00 C ATOM 636 NH1 ARG A 44 10.251 4.253 -0.473 1.00 0.00 N ATOM 637 NH2 ARG A 44 10.208 6.547 -0.431 1.00 0.00 N ATOM 0 H ARG A 44 15.892 5.101 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 44 15.765 2.149 -0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.123 2.309 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.557 3.193 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.942 4.716 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.261 5.268 1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.355 3.415 0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.877 3.825 2.184 1.00 0.00 H new ATOM 0 HE ARG A 44 12.121 6.306 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.659 3.370 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.465 4.252 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.583 7.432 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.422 6.543 -1.081 1.00 0.00 H new ATOM 651 N TYR A 45 13.376 2.071 -1.137 1.00 0.00 N ATOM 652 CA TYR A 45 12.247 2.007 -2.058 1.00 0.00 C ATOM 653 C TYR A 45 11.024 1.398 -1.378 1.00 0.00 C ATOM 654 O TYR A 45 11.146 0.514 -0.530 1.00 0.00 O ATOM 655 CB TYR A 45 12.617 1.188 -3.296 1.00 0.00 C ATOM 656 CG TYR A 45 12.858 -0.275 -3.004 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.051 -0.702 -2.433 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.895 -1.232 -3.300 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.276 -2.039 -2.165 1.00 0.00 C ATOM 660 CE2 TYR A 45 12.111 -2.570 -3.034 1.00 0.00 C ATOM 661 CZ TYR A 45 13.303 -2.968 -2.467 1.00 0.00 C ATOM 662 OH TYR A 45 13.523 -4.301 -2.202 1.00 0.00 O ATOM 0 H TYR A 45 13.549 1.208 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 45 12.002 3.024 -2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.818 1.276 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.514 1.612 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.815 0.023 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.961 -0.924 -3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.209 -2.354 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.351 -3.300 -3.269 1.00 0.00 H new ATOM 0 HH TYR A 45 12.739 -4.822 -2.473 1.00 0.00 H new ATOM 672 N TYR A 46 9.845 1.878 -1.758 1.00 0.00 N ATOM 673 CA TYR A 46 8.598 1.383 -1.185 1.00 0.00 C ATOM 674 C TYR A 46 7.997 0.285 -2.056 1.00 0.00 C ATOM 675 O TYR A 46 8.139 0.296 -3.279 1.00 0.00 O ATOM 676 CB TYR A 46 7.597 2.528 -1.025 1.00 0.00 C ATOM 677 CG TYR A 46 7.753 3.292 0.271 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.884 2.624 1.482 1.00 0.00 C ATOM 679 CD2 TYR A 46 7.768 4.681 0.284 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.026 3.318 2.669 1.00 0.00 C ATOM 681 CE2 TYR A 46 7.911 5.383 1.465 1.00 0.00 C ATOM 682 CZ TYR A 46 8.040 4.697 2.655 1.00 0.00 C ATOM 683 OH TYR A 46 8.181 5.393 3.834 1.00 0.00 O ATOM 0 H TYR A 46 9.726 2.609 -2.460 1.00 0.00 H new ATOM 0 HA TYR A 46 8.819 0.963 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.711 3.219 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.586 2.126 -1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.875 1.544 1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.666 5.221 -0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.125 2.783 3.602 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.922 6.463 1.457 1.00 0.00 H new ATOM 0 HH TYR A 46 8.172 6.355 3.649 1.00 0.00 H new ATOM 693 N THR A 47 7.322 -0.666 -1.416 1.00 0.00 N ATOM 694 CA THR A 47 6.698 -1.772 -2.130 1.00 0.00 C ATOM 695 C THR A 47 5.258 -1.979 -1.674 1.00 0.00 C ATOM 696 O THR A 47 5.006 -2.608 -0.646 1.00 0.00 O ATOM 697 CB THR A 47 7.481 -3.083 -1.929 1.00 0.00 C ATOM 698 OG1 THR A 47 8.836 -2.916 -2.363 1.00 0.00 O ATOM 699 CG2 THR A 47 6.834 -4.224 -2.699 1.00 0.00 C ATOM 0 H THR A 47 7.194 -0.691 -0.404 1.00 0.00 H new ATOM 0 HA THR A 47 6.707 -1.510 -3.188 1.00 0.00 H new ATOM 0 HB THR A 47 7.467 -3.329 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.328 -3.753 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.405 -5.139 -2.541 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.813 -4.368 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.820 -3.984 -3.762 1.00 0.00 H new ATOM 707 N VAL A 48 4.316 -1.446 -2.446 1.00 0.00 N ATOM 708 CA VAL A 48 2.900 -1.574 -2.122 1.00 0.00 C ATOM 709 C VAL A 48 2.282 -2.777 -2.825 1.00 0.00 C ATOM 710 O VAL A 48 2.392 -2.921 -4.043 1.00 0.00 O ATOM 711 CB VAL A 48 2.118 -0.306 -2.513 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.646 -0.455 -2.158 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.716 0.918 -1.837 1.00 0.00 C ATOM 0 H VAL A 48 4.508 -0.922 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 48 2.833 -1.714 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 48 2.195 -0.171 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.110 0.451 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.227 -1.307 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.545 -0.615 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.151 1.805 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.671 0.794 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.755 1.033 -2.146 1.00 0.00 H new ATOM 723 N ARG A 49 1.630 -3.638 -2.050 1.00 0.00 N ATOM 724 CA ARG A 49 0.994 -4.830 -2.599 1.00 0.00 C ATOM 725 C ARG A 49 -0.526 -4.707 -2.548 1.00 0.00 C ATOM 726 O ARG A 49 -1.068 -3.909 -1.785 1.00 0.00 O ATOM 727 CB ARG A 49 1.443 -6.074 -1.830 1.00 0.00 C ATOM 728 CG ARG A 49 0.899 -6.142 -0.412 1.00 0.00 C ATOM 729 CD ARG A 49 1.847 -6.889 0.513 1.00 0.00 C ATOM 730 NE ARG A 49 1.765 -8.335 0.329 1.00 0.00 N ATOM 731 CZ ARG A 49 0.815 -9.092 0.867 1.00 0.00 C ATOM 732 NH1 ARG A 49 -0.128 -8.542 1.619 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.808 -10.402 0.653 1.00 0.00 N ATOM 0 H ARG A 49 1.528 -3.532 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 49 1.298 -4.927 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.125 -6.963 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.532 -6.095 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.740 -5.132 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.072 -6.637 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.869 -6.558 0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.613 -6.642 1.548 1.00 0.00 H new ATOM 0 HE ARG A 49 2.476 -8.789 -0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.125 -7.536 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.856 -9.125 2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.532 -10.828 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.078 -10.982 1.066 1.00 0.00 H new ATOM 747 N TRP A 50 -1.206 -5.503 -3.365 1.00 0.00 N ATOM 748 CA TRP A 50 -2.663 -5.483 -3.413 1.00 0.00 C ATOM 749 C TRP A 50 -3.203 -6.736 -4.095 1.00 0.00 C ATOM 750 O TRP A 50 -2.619 -7.230 -5.060 1.00 0.00 O ATOM 751 CB TRP A 50 -3.153 -4.236 -4.150 1.00 0.00 C ATOM 752 CG TRP A 50 -2.786 -4.222 -5.603 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.566 -4.626 -6.649 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.547 -3.783 -6.170 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.885 -4.466 -7.832 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.645 -3.949 -7.566 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.364 -3.265 -5.635 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.605 -3.616 -8.430 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.667 -2.935 -6.494 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.541 -3.111 -7.879 1.00 0.00 C ATOM 0 H TRP A 50 -0.772 -6.170 -4.003 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.034 -5.461 -2.388 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.237 -4.169 -4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.736 -3.351 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.570 -5.014 -6.560 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.245 -4.695 -8.758 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.258 -3.125 -4.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.700 -3.752 -9.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.586 -2.535 -6.091 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.365 -2.843 -8.524 1.00 0.00 H new ATOM 771 N LYS A 51 -4.320 -7.246 -3.588 1.00 0.00 N ATOM 772 CA LYS A 51 -4.940 -8.440 -4.149 1.00 0.00 C ATOM 773 C LYS A 51 -6.461 -8.327 -4.124 1.00 0.00 C ATOM 774 O LYS A 51 -7.012 -7.301 -3.725 1.00 0.00 O ATOM 775 CB LYS A 51 -4.497 -9.682 -3.372 1.00 0.00 C ATOM 776 CG LYS A 51 -5.028 -9.731 -1.950 1.00 0.00 C ATOM 777 CD LYS A 51 -4.528 -10.960 -1.210 1.00 0.00 C ATOM 778 CE LYS A 51 -5.476 -12.138 -1.383 1.00 0.00 C ATOM 779 NZ LYS A 51 -5.213 -12.880 -2.647 1.00 0.00 N ATOM 0 H LYS A 51 -4.815 -6.850 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.618 -8.533 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.830 -10.572 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.408 -9.714 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.720 -8.833 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.118 -9.734 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.538 -11.231 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.421 -10.730 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.372 -12.816 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.505 -11.779 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.480 -13.878 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.773 -12.463 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.202 -12.819 -2.882 1.00 0.00 H new ATOM 793 N THR A 52 -7.136 -9.389 -4.552 1.00 0.00 N ATOM 794 CA THR A 52 -8.593 -9.409 -4.578 1.00 0.00 C ATOM 795 C THR A 52 -9.146 -10.458 -3.620 1.00 0.00 C ATOM 796 O THR A 52 -8.896 -11.652 -3.780 1.00 0.00 O ATOM 797 CB THR A 52 -9.126 -9.694 -5.995 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.554 -10.906 -6.500 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.801 -8.544 -6.936 1.00 0.00 C ATOM 0 H THR A 52 -6.697 -10.247 -4.886 1.00 0.00 H new ATOM 0 HA THR A 52 -8.928 -8.421 -4.263 1.00 0.00 H new ATOM 0 HB THR A 52 -10.209 -9.801 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.547 -11.584 -5.792 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.187 -8.768 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.262 -7.629 -6.565 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.720 -8.410 -6.988 1.00 0.00 H new ATOM 807 N ASN A 53 -9.899 -10.004 -2.623 1.00 0.00 N ATOM 808 CA ASN A 53 -10.488 -10.905 -1.639 1.00 0.00 C ATOM 809 C ASN A 53 -11.161 -12.091 -2.321 1.00 0.00 C ATOM 810 O ASN A 53 -11.136 -13.211 -1.809 1.00 0.00 O ATOM 811 CB ASN A 53 -11.503 -10.155 -0.774 1.00 0.00 C ATOM 812 CG ASN A 53 -11.785 -10.866 0.535 1.00 0.00 C ATOM 813 OD1 ASN A 53 -11.241 -10.505 1.580 1.00 0.00 O ATOM 814 ND2 ASN A 53 -12.637 -11.882 0.485 1.00 0.00 N ATOM 0 H ASN A 53 -10.115 -9.018 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.687 -11.282 -1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.129 -9.153 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.434 -10.039 -1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.865 -12.399 1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.064 -12.146 -0.403 1.00 0.00 H new ATOM 821 N ILE A 54 -11.762 -11.838 -3.479 1.00 0.00 N ATOM 822 CA ILE A 54 -12.441 -12.885 -4.232 1.00 0.00 C ATOM 823 C ILE A 54 -11.828 -13.051 -5.618 1.00 0.00 C ATOM 824 O ILE A 54 -11.734 -12.105 -6.400 1.00 0.00 O ATOM 825 CB ILE A 54 -13.945 -12.588 -4.380 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.603 -12.476 -3.004 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.619 -13.670 -5.210 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.972 -11.834 -3.039 1.00 0.00 C ATOM 0 H ILE A 54 -11.792 -10.917 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.316 -13.810 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.063 -11.635 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.689 -13.472 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.955 -11.896 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.681 -13.446 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.165 -13.705 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.494 -14.635 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.378 -11.788 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.891 -10.825 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.635 -12.426 -3.670 1.00 0.00 H new ATOM 840 N PRO A 55 -11.401 -14.283 -5.933 1.00 0.00 N ATOM 841 CA PRO A 55 -11.507 -15.417 -5.010 1.00 0.00 C ATOM 842 C PRO A 55 -10.561 -15.287 -3.821 1.00 0.00 C ATOM 843 O PRO A 55 -9.898 -14.265 -3.652 1.00 0.00 O ATOM 844 CB PRO A 55 -11.115 -16.617 -5.876 1.00 0.00 C ATOM 845 CG PRO A 55 -10.251 -16.045 -6.947 1.00 0.00 C ATOM 846 CD PRO A 55 -10.782 -14.664 -7.213 1.00 0.00 C ATOM 0 HA PRO A 55 -12.503 -15.496 -4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.580 -17.367 -5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.994 -17.106 -6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.209 -16.008 -6.630 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.288 -16.658 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.986 -13.975 -7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.508 -14.662 -8.026 1.00 0.00 H new ATOM 854 N ALA A 56 -10.504 -16.331 -2.999 1.00 0.00 N ATOM 855 CA ALA A 56 -9.637 -16.333 -1.827 1.00 0.00 C ATOM 856 C ALA A 56 -8.179 -16.537 -2.223 1.00 0.00 C ATOM 857 O ALA A 56 -7.327 -15.694 -1.945 1.00 0.00 O ATOM 858 CB ALA A 56 -10.076 -17.413 -0.849 1.00 0.00 C ATOM 0 H ALA A 56 -11.048 -17.185 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.721 -15.361 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.420 -17.404 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.102 -17.223 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.021 -18.387 -1.334 1.00 0.00 H new ATOM 864 N ASN A 57 -7.899 -17.662 -2.873 1.00 0.00 N ATOM 865 CA ASN A 57 -6.542 -17.976 -3.306 1.00 0.00 C ATOM 866 C ASN A 57 -6.184 -17.209 -4.576 1.00 0.00 C ATOM 867 O ASN A 57 -6.796 -17.404 -5.626 1.00 0.00 O ATOM 868 CB ASN A 57 -6.397 -19.480 -3.548 1.00 0.00 C ATOM 869 CG ASN A 57 -6.928 -20.306 -2.393 1.00 0.00 C ATOM 870 OD1 ASN A 57 -8.129 -20.562 -2.299 1.00 0.00 O ATOM 871 ND2 ASN A 57 -6.034 -20.725 -1.505 1.00 0.00 N ATOM 0 H ASN A 57 -8.593 -18.371 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.856 -17.674 -2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.929 -19.751 -4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.346 -19.719 -3.709 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.333 -21.283 -0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.049 -20.489 -1.623 1.00 0.00 H new ATOM 878 N THR A 58 -5.188 -16.335 -4.471 1.00 0.00 N ATOM 879 CA THR A 58 -4.748 -15.538 -5.609 1.00 0.00 C ATOM 880 C THR A 58 -3.386 -14.907 -5.345 1.00 0.00 C ATOM 881 O THR A 58 -3.174 -14.270 -4.313 1.00 0.00 O ATOM 882 CB THR A 58 -5.761 -14.425 -5.940 1.00 0.00 C ATOM 883 OG1 THR A 58 -7.084 -14.847 -5.592 1.00 0.00 O ATOM 884 CG2 THR A 58 -5.709 -14.069 -7.418 1.00 0.00 C ATOM 0 H THR A 58 -4.671 -16.161 -3.609 1.00 0.00 H new ATOM 0 HA THR A 58 -4.672 -16.216 -6.459 1.00 0.00 H new ATOM 0 HB THR A 58 -5.498 -13.541 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.237 -15.755 -5.928 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.433 -13.281 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.708 -13.720 -7.673 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.949 -14.950 -8.013 1.00 0.00 H new ATOM 892 N LYS A 59 -2.463 -15.087 -6.285 1.00 0.00 N ATOM 893 CA LYS A 59 -1.121 -14.534 -6.155 1.00 0.00 C ATOM 894 C LYS A 59 -1.171 -13.095 -5.653 1.00 0.00 C ATOM 895 O LYS A 59 -2.174 -12.402 -5.825 1.00 0.00 O ATOM 896 CB LYS A 59 -0.392 -14.591 -7.500 1.00 0.00 C ATOM 897 CG LYS A 59 0.108 -15.979 -7.863 1.00 0.00 C ATOM 898 CD LYS A 59 1.554 -16.179 -7.441 1.00 0.00 C ATOM 899 CE LYS A 59 1.649 -16.811 -6.060 1.00 0.00 C ATOM 900 NZ LYS A 59 3.057 -16.889 -5.582 1.00 0.00 N ATOM 0 H LYS A 59 -2.621 -15.612 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.576 -15.135 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.064 -14.240 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.454 -13.904 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.519 -16.730 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.018 -16.129 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.062 -16.813 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.070 -15.219 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.057 -16.230 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.219 -17.812 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.080 -17.325 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.617 -17.465 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.460 -15.931 -5.530 1.00 0.00 H new ATOM 914 N TYR A 60 -0.083 -12.651 -5.033 1.00 0.00 N ATOM 915 CA TYR A 60 -0.004 -11.295 -4.505 1.00 0.00 C ATOM 916 C TYR A 60 0.732 -10.375 -5.474 1.00 0.00 C ATOM 917 O TYR A 60 1.757 -10.747 -6.046 1.00 0.00 O ATOM 918 CB TYR A 60 0.702 -11.293 -3.148 1.00 0.00 C ATOM 919 CG TYR A 60 -0.239 -11.461 -1.976 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.864 -10.363 -1.399 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.501 -12.718 -1.445 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.724 -10.511 -0.328 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.360 -12.876 -0.375 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.969 -11.769 0.180 1.00 0.00 C ATOM 925 OH TYR A 60 -2.824 -11.922 1.247 1.00 0.00 O ATOM 0 H TYR A 60 0.756 -13.211 -4.884 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.021 -10.922 -4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.439 -12.096 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.248 -10.357 -3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.674 -9.376 -1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.025 -13.586 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.202 -9.646 0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.554 -13.860 0.025 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.888 -12.871 1.481 1.00 0.00 H new ATOM 935 N LYS A 61 0.201 -9.170 -5.655 1.00 0.00 N ATOM 936 CA LYS A 61 0.806 -8.194 -6.553 1.00 0.00 C ATOM 937 C LYS A 61 1.609 -7.160 -5.771 1.00 0.00 C ATOM 938 O LYS A 61 1.484 -7.056 -4.552 1.00 0.00 O ATOM 939 CB LYS A 61 -0.274 -7.495 -7.382 1.00 0.00 C ATOM 940 CG LYS A 61 -0.610 -8.217 -8.676 1.00 0.00 C ATOM 941 CD LYS A 61 -1.132 -7.256 -9.731 1.00 0.00 C ATOM 942 CE LYS A 61 -1.843 -7.995 -10.854 1.00 0.00 C ATOM 943 NZ LYS A 61 -2.897 -7.156 -11.490 1.00 0.00 N ATOM 0 H LYS A 61 -0.648 -8.846 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 61 1.483 -8.724 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.179 -7.403 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.057 -6.483 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.279 -8.724 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.357 -8.986 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.818 -6.545 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.303 -6.679 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.116 -8.297 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.293 -8.907 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.358 -7.695 -12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.605 -6.888 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.465 -6.298 -11.888 1.00 0.00 H new ATOM 957 N ASN A 62 2.433 -6.396 -6.481 1.00 0.00 N ATOM 958 CA ASN A 62 3.256 -5.369 -5.853 1.00 0.00 C ATOM 959 C ASN A 62 3.720 -4.340 -6.880 1.00 0.00 C ATOM 960 O ASN A 62 3.636 -4.570 -8.086 1.00 0.00 O ATOM 961 CB ASN A 62 4.468 -6.005 -5.169 1.00 0.00 C ATOM 962 CG ASN A 62 5.649 -6.156 -6.109 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.718 -5.593 -5.875 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.460 -6.919 -7.179 1.00 0.00 N ATOM 0 H ASN A 62 2.548 -6.469 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 62 2.649 -4.860 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.762 -5.394 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.190 -6.984 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.218 -7.058 -7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.557 -7.367 -7.333 1.00 0.00 H new ATOM 971 N ALA A 63 4.208 -3.204 -6.392 1.00 0.00 N ATOM 972 CA ALA A 63 4.688 -2.141 -7.266 1.00 0.00 C ATOM 973 C ALA A 63 5.975 -1.526 -6.728 1.00 0.00 C ATOM 974 O ALA A 63 6.508 -1.970 -5.712 1.00 0.00 O ATOM 975 CB ALA A 63 3.618 -1.071 -7.431 1.00 0.00 C ATOM 0 H ALA A 63 4.281 -2.996 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 63 4.905 -2.577 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.989 -0.283 -8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.724 -1.515 -7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.373 -0.648 -6.457 1.00 0.00 H new ATOM 981 N ASN A 64 6.470 -0.503 -7.417 1.00 0.00 N ATOM 982 CA ASN A 64 7.696 0.172 -7.008 1.00 0.00 C ATOM 983 C ASN A 64 7.584 1.679 -7.218 1.00 0.00 C ATOM 984 O ASN A 64 7.439 2.150 -8.345 1.00 0.00 O ATOM 985 CB ASN A 64 8.890 -0.376 -7.792 1.00 0.00 C ATOM 986 CG ASN A 64 8.803 -0.060 -9.273 1.00 0.00 C ATOM 987 OD1 ASN A 64 9.249 0.996 -9.721 1.00 0.00 O ATOM 988 ND2 ASN A 64 8.226 -0.978 -10.040 1.00 0.00 N ATOM 0 H ASN A 64 6.041 -0.123 -8.261 1.00 0.00 H new ATOM 0 HA ASN A 64 7.849 -0.018 -5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.811 0.044 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.946 -1.456 -7.656 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.138 -0.822 -11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.870 -1.839 -9.625 1.00 0.00 H new ATOM 995 N ALA A 65 7.652 2.430 -6.123 1.00 0.00 N ATOM 996 CA ALA A 65 7.560 3.884 -6.188 1.00 0.00 C ATOM 997 C ALA A 65 8.122 4.525 -4.923 1.00 0.00 C ATOM 998 O ALA A 65 7.581 4.348 -3.831 1.00 0.00 O ATOM 999 CB ALA A 65 6.116 4.313 -6.403 1.00 0.00 C ATOM 0 H ALA A 65 7.770 2.056 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 65 8.157 4.224 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.063 5.401 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.746 3.891 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.503 3.955 -5.576 1.00 0.00 H new ATOM 1005 N THR A 66 9.211 5.271 -5.077 1.00 0.00 N ATOM 1006 CA THR A 66 9.847 5.938 -3.948 1.00 0.00 C ATOM 1007 C THR A 66 9.164 7.264 -3.637 1.00 0.00 C ATOM 1008 O THR A 66 9.457 8.287 -4.257 1.00 0.00 O ATOM 1009 CB THR A 66 11.342 6.194 -4.217 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.503 6.916 -5.443 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.112 4.884 -4.288 1.00 0.00 C ATOM 0 H THR A 66 9.671 5.429 -5.973 1.00 0.00 H new ATOM 0 HA THR A 66 9.748 5.272 -3.091 1.00 0.00 H new ATOM 0 HB THR A 66 11.740 6.786 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.854 7.650 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.165 5.091 -4.479 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.012 4.352 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.711 4.270 -5.094 1.00 0.00 H new ATOM 1019 N THR A 67 8.251 7.242 -2.670 1.00 0.00 N ATOM 1020 CA THR A 67 7.525 8.443 -2.277 1.00 0.00 C ATOM 1021 C THR A 67 6.622 8.171 -1.079 1.00 0.00 C ATOM 1022 O THR A 67 6.432 7.022 -0.680 1.00 0.00 O ATOM 1023 CB THR A 67 6.671 8.989 -3.436 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.626 9.824 -2.924 1.00 0.00 O ATOM 1025 CG2 THR A 67 6.067 7.851 -4.246 1.00 0.00 C ATOM 0 H THR A 67 7.997 6.405 -2.145 1.00 0.00 H new ATOM 0 HA THR A 67 8.272 9.189 -2.005 1.00 0.00 H new ATOM 0 HB THR A 67 7.317 9.576 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.089 10.169 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.468 8.261 -5.059 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.865 7.234 -4.659 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.434 7.241 -3.601 1.00 0.00 H new ATOM 1033 N LEU A 68 6.066 9.236 -0.510 1.00 0.00 N ATOM 1034 CA LEU A 68 5.181 9.112 0.643 1.00 0.00 C ATOM 1035 C LEU A 68 3.723 9.015 0.202 1.00 0.00 C ATOM 1036 O LEU A 68 2.809 9.266 0.988 1.00 0.00 O ATOM 1037 CB LEU A 68 5.364 10.306 1.582 1.00 0.00 C ATOM 1038 CG LEU A 68 6.572 10.245 2.517 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.033 11.647 2.885 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.238 9.446 3.768 1.00 0.00 C ATOM 0 H LEU A 68 6.212 10.194 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 68 5.442 8.197 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.443 11.209 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.464 10.406 2.189 1.00 0.00 H new ATOM 0 HG LEU A 68 7.386 9.742 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.894 11.584 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.313 12.187 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.223 12.176 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.109 9.413 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.409 9.921 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.956 8.431 3.487 1.00 0.00 H new ATOM 1052 N SER A 69 3.515 8.648 -1.058 1.00 0.00 N ATOM 1053 CA SER A 69 2.169 8.519 -1.604 1.00 0.00 C ATOM 1054 C SER A 69 2.172 7.654 -2.860 1.00 0.00 C ATOM 1055 O SER A 69 3.214 7.453 -3.486 1.00 0.00 O ATOM 1056 CB SER A 69 1.591 9.899 -1.922 1.00 0.00 C ATOM 1057 OG SER A 69 0.361 9.789 -2.618 1.00 0.00 O ATOM 0 H SER A 69 4.261 8.435 -1.720 1.00 0.00 H new ATOM 0 HA SER A 69 1.544 8.035 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.440 10.456 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.303 10.465 -2.523 1.00 0.00 H new ATOM 0 HG SER A 69 0.011 10.685 -2.808 1.00 0.00 H new ATOM 1063 N TYR A 70 1.000 7.146 -3.224 1.00 0.00 N ATOM 1064 CA TYR A 70 0.867 6.301 -4.405 1.00 0.00 C ATOM 1065 C TYR A 70 -0.602 6.077 -4.752 1.00 0.00 C ATOM 1066 O TYR A 70 -1.423 5.798 -3.878 1.00 0.00 O ATOM 1067 CB TYR A 70 1.559 4.956 -4.176 1.00 0.00 C ATOM 1068 CG TYR A 70 1.384 3.982 -5.319 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.555 4.389 -6.636 1.00 0.00 C ATOM 1070 CD2 TYR A 70 1.048 2.655 -5.081 1.00 0.00 C ATOM 1071 CE1 TYR A 70 1.395 3.502 -7.684 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.888 1.761 -6.122 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.062 2.190 -7.422 1.00 0.00 C ATOM 1074 OH TYR A 70 0.903 1.303 -8.462 1.00 0.00 O ATOM 0 H TYR A 70 0.128 7.305 -2.718 1.00 0.00 H new ATOM 0 HA TYR A 70 1.346 6.811 -5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.623 5.127 -4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.168 4.506 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.817 5.416 -6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.910 2.317 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.530 3.835 -8.702 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.628 0.732 -5.920 1.00 0.00 H new ATOM 0 HH TYR A 70 0.670 0.420 -8.106 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.925 6.200 -6.034 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.294 6.011 -6.500 1.00 0.00 C ATOM 1086 C LEU A 71 -2.458 4.652 -7.174 1.00 0.00 C ATOM 1087 O LEU A 71 -1.955 4.429 -8.275 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.682 7.126 -7.473 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.177 8.427 -6.841 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.637 8.301 -6.435 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -2.317 8.798 -5.641 1.00 0.00 C ATOM 0 H LEU A 71 -0.257 6.430 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.954 6.048 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.817 7.354 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.461 6.748 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.095 9.223 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.972 9.236 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.242 8.083 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.745 7.493 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.684 9.727 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.367 8.002 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.284 8.931 -5.961 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.166 3.747 -6.505 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.399 2.411 -7.041 1.00 0.00 C ATOM 1105 C VAL A 72 -4.525 2.420 -8.068 1.00 0.00 C ATOM 1106 O VAL A 72 -5.692 2.613 -7.726 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.746 1.411 -5.922 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.766 -0.010 -6.463 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.762 1.538 -4.770 1.00 0.00 C ATOM 0 H VAL A 72 -3.588 3.915 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.474 2.097 -7.524 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.742 1.645 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.013 -0.702 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.514 -0.089 -7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.785 -0.259 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.022 0.824 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.754 1.332 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.804 2.549 -4.366 1.00 0.00 H new ATOM 1119 N THR A 73 -4.168 2.208 -9.331 1.00 0.00 N ATOM 1120 CA THR A 73 -5.148 2.191 -10.410 1.00 0.00 C ATOM 1121 C THR A 73 -5.245 0.808 -11.043 1.00 0.00 C ATOM 1122 O THR A 73 -4.351 -0.022 -10.886 1.00 0.00 O ATOM 1123 CB THR A 73 -4.798 3.220 -11.502 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.446 3.033 -11.936 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.979 4.639 -10.987 1.00 0.00 C ATOM 0 H THR A 73 -3.207 2.046 -9.632 1.00 0.00 H new ATOM 0 HA THR A 73 -6.109 2.453 -9.968 1.00 0.00 H new ATOM 0 HB THR A 73 -5.474 3.068 -12.344 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.232 3.690 -12.631 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.726 5.347 -11.776 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.016 4.787 -10.685 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.325 4.801 -10.130 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.339 0.566 -11.760 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.532 -0.719 -12.407 1.00 0.00 C ATOM 1135 C GLY A 74 -7.182 -1.737 -11.491 1.00 0.00 C ATOM 1136 O GLY A 74 -6.687 -2.855 -11.343 1.00 0.00 O ATOM 0 H GLY A 74 -7.094 1.236 -11.904 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.151 -0.586 -13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.568 -1.101 -12.744 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.292 -1.350 -10.872 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.010 -2.237 -9.963 1.00 0.00 C ATOM 1142 C LEU A 75 -10.431 -2.489 -10.458 1.00 0.00 C ATOM 1143 O LEU A 75 -11.003 -1.672 -11.180 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.047 -1.637 -8.557 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.694 -1.250 -7.957 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.874 -0.204 -6.868 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.983 -2.478 -7.407 1.00 0.00 C ATOM 0 H LEU A 75 -8.714 -0.428 -10.983 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.481 -3.190 -9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.680 -0.750 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.526 -2.354 -7.890 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.077 -0.821 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.901 0.060 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.341 0.685 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.509 -0.606 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.022 -2.183 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.596 -2.936 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.821 -3.195 -8.212 1.00 0.00 H new ATOM 1159 N LYS A 76 -10.996 -3.625 -10.064 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.351 -3.985 -10.463 1.00 0.00 C ATOM 1161 C LYS A 76 -13.380 -3.334 -9.544 1.00 0.00 C ATOM 1162 O LYS A 76 -13.200 -3.255 -8.329 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.524 -5.506 -10.444 1.00 0.00 C ATOM 1164 CG LYS A 76 -13.604 -6.007 -11.387 1.00 0.00 C ATOM 1165 CD LYS A 76 -13.564 -7.520 -11.526 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.460 -7.964 -12.474 1.00 0.00 C ATOM 1167 NZ LYS A 76 -12.168 -9.418 -12.343 1.00 0.00 N ATOM 0 H LYS A 76 -10.536 -4.313 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.513 -3.620 -11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.576 -5.974 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.764 -5.823 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.582 -5.700 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.475 -5.547 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.408 -7.972 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.526 -7.878 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.752 -7.743 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.555 -7.392 -12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.411 -9.681 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.864 -9.625 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.025 -9.965 -12.562 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.486 -2.859 -10.136 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.567 -2.209 -9.388 1.00 0.00 C ATOM 1183 C PRO A 77 -16.338 -3.191 -8.513 1.00 0.00 C ATOM 1184 O PRO A 77 -16.503 -4.357 -8.868 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.471 -1.648 -10.488 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.213 -2.516 -11.671 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.767 -2.920 -11.580 1.00 0.00 C ATOM 0 HA PRO A 77 -15.190 -1.452 -8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.520 -1.682 -10.194 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.233 -0.606 -10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.864 -3.390 -11.663 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.411 -1.980 -12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.604 -3.921 -11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.124 -2.243 -12.143 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.810 -2.710 -7.367 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.565 -3.547 -6.441 1.00 0.00 C ATOM 1197 C ASN A 78 -16.766 -4.787 -6.053 1.00 0.00 C ATOM 1198 O ASN A 78 -17.243 -5.914 -6.187 1.00 0.00 O ATOM 1199 CB ASN A 78 -18.899 -3.961 -7.066 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.726 -4.831 -6.139 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.803 -6.047 -6.317 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.348 -4.211 -5.144 1.00 0.00 N ATOM 0 H ASN A 78 -16.683 -1.746 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.759 -2.965 -5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.468 -3.068 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -18.710 -4.500 -7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -20.919 -4.744 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.255 -3.201 -5.035 1.00 0.00 H new ATOM 1209 N THR A 79 -15.545 -4.571 -5.571 1.00 0.00 N ATOM 1210 CA THR A 79 -14.679 -5.671 -5.163 1.00 0.00 C ATOM 1211 C THR A 79 -13.747 -5.247 -4.034 1.00 0.00 C ATOM 1212 O THR A 79 -13.199 -4.144 -4.049 1.00 0.00 O ATOM 1213 CB THR A 79 -13.836 -6.188 -6.344 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.659 -6.340 -7.505 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.183 -7.518 -6.001 1.00 0.00 C ATOM 0 H THR A 79 -15.134 -3.645 -5.454 1.00 0.00 H new ATOM 0 HA THR A 79 -15.329 -6.472 -4.811 1.00 0.00 H new ATOM 0 HB THR A 79 -13.052 -5.459 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.223 -6.948 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.593 -7.863 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.533 -7.392 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.954 -8.254 -5.772 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.570 -6.129 -3.057 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.702 -5.846 -1.919 1.00 0.00 C ATOM 1225 C LEU A 80 -11.234 -5.993 -2.304 1.00 0.00 C ATOM 1226 O LEU A 80 -10.811 -7.043 -2.788 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.032 -6.783 -0.756 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.497 -6.366 0.615 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.013 -6.043 0.533 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.276 -5.173 1.151 1.00 0.00 C ATOM 0 H LEU A 80 -14.016 -7.046 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.876 -4.816 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.116 -6.877 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.641 -7.773 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.629 -7.200 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.650 -5.748 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.467 -6.923 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.857 -5.226 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.882 -4.890 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.176 -4.334 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.328 -5.440 1.248 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.462 -4.934 -2.085 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.040 -4.945 -2.410 1.00 0.00 C ATOM 1244 C TYR A 81 -8.195 -4.696 -1.165 1.00 0.00 C ATOM 1245 O TYR A 81 -8.652 -4.073 -0.207 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.730 -3.888 -3.471 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.917 -4.379 -4.889 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -7.914 -5.090 -5.536 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.096 -4.132 -5.581 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.080 -5.541 -6.831 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.271 -4.580 -6.876 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.261 -5.284 -7.497 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.431 -5.731 -8.787 1.00 0.00 O ATOM 0 H TYR A 81 -10.797 -4.058 -1.684 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.791 -5.930 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.372 -3.022 -3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.701 -3.550 -3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.989 -5.294 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.889 -3.580 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.290 -6.092 -7.320 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.194 -4.380 -7.399 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.285 -6.206 -8.859 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.960 -5.186 -1.187 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.050 -5.017 -0.060 1.00 0.00 C ATOM 1265 C GLU A 82 -4.983 -3.973 -0.375 1.00 0.00 C ATOM 1266 O GLU A 82 -4.690 -3.700 -1.539 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.388 -6.350 0.294 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.181 -7.178 1.291 1.00 0.00 C ATOM 1269 CD GLU A 82 -5.481 -8.471 1.663 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -4.364 -8.402 2.218 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -6.050 -9.551 1.400 1.00 0.00 O ATOM 0 H GLU A 82 -6.566 -5.703 -1.973 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.631 -4.671 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.249 -6.930 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.396 -6.156 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.352 -6.589 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.160 -7.407 0.870 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.404 -3.393 0.671 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.370 -2.379 0.508 1.00 0.00 C ATOM 1280 C PHE A 83 -2.380 -2.419 1.668 1.00 0.00 C ATOM 1281 O PHE A 83 -2.766 -2.303 2.831 1.00 0.00 O ATOM 1282 CB PHE A 83 -4.000 -0.988 0.408 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.987 -0.856 -0.716 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.617 -1.151 -2.019 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.285 -0.438 -0.471 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.522 -1.030 -3.055 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.196 -0.316 -1.504 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.814 -0.613 -2.798 1.00 0.00 C ATOM 0 H PHE A 83 -4.634 -3.608 1.641 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.830 -2.593 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.500 -0.756 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.210 -0.249 0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.609 -1.479 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.589 -0.205 0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.220 -1.261 -4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.205 0.011 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.524 -0.519 -3.607 1.00 0.00 H new ATOM 1298 N SER A 84 -1.102 -2.584 1.343 1.00 0.00 N ATOM 1299 CA SER A 84 -0.056 -2.644 2.357 1.00 0.00 C ATOM 1300 C SER A 84 1.241 -2.031 1.838 1.00 0.00 C ATOM 1301 O SER A 84 1.681 -2.328 0.727 1.00 0.00 O ATOM 1302 CB SER A 84 0.187 -4.093 2.784 1.00 0.00 C ATOM 1303 OG SER A 84 -0.711 -4.480 3.810 1.00 0.00 O ATOM 0 H SER A 84 -0.766 -2.679 0.385 1.00 0.00 H new ATOM 0 HA SER A 84 -0.389 -2.069 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.069 -4.753 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.213 -4.205 3.133 1.00 0.00 H new ATOM 0 HG SER A 84 -0.359 -4.192 4.678 1.00 0.00 H new ATOM 1309 N VAL A 85 1.849 -1.172 2.650 1.00 0.00 N ATOM 1310 CA VAL A 85 3.096 -0.517 2.275 1.00 0.00 C ATOM 1311 C VAL A 85 4.252 -0.994 3.147 1.00 0.00 C ATOM 1312 O VAL A 85 4.142 -1.034 4.372 1.00 0.00 O ATOM 1313 CB VAL A 85 2.981 1.015 2.387 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.140 1.692 1.671 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.648 1.491 1.829 1.00 0.00 C ATOM 0 H VAL A 85 1.498 -0.914 3.572 1.00 0.00 H new ATOM 0 HA VAL A 85 3.294 -0.784 1.237 1.00 0.00 H new ATOM 0 HB VAL A 85 3.027 1.289 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.041 2.774 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.081 1.375 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.129 1.413 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.584 2.576 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.570 1.206 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.834 1.033 2.391 1.00 0.00 H new ATOM 1325 N MET A 86 5.359 -1.353 2.507 1.00 0.00 N ATOM 1326 CA MET A 86 6.537 -1.826 3.226 1.00 0.00 C ATOM 1327 C MET A 86 7.789 -1.086 2.765 1.00 0.00 C ATOM 1328 O MET A 86 7.877 -0.651 1.617 1.00 0.00 O ATOM 1329 CB MET A 86 6.716 -3.332 3.021 1.00 0.00 C ATOM 1330 CG MET A 86 7.584 -3.683 1.823 1.00 0.00 C ATOM 1331 SD MET A 86 9.328 -3.841 2.252 1.00 0.00 S ATOM 1332 CE MET A 86 9.380 -5.531 2.841 1.00 0.00 C ATOM 0 H MET A 86 5.466 -1.326 1.493 1.00 0.00 H new ATOM 0 HA MET A 86 6.388 -1.626 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.159 -3.763 3.919 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.736 -3.793 2.897 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.235 -4.619 1.388 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.470 -2.914 1.059 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.750 -5.548 3.866 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.378 -5.958 2.810 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.044 -6.117 2.206 1.00 0.00 H new ATOM 1342 N VAL A 87 8.755 -0.947 3.667 1.00 0.00 N ATOM 1343 CA VAL A 87 10.002 -0.260 3.352 1.00 0.00 C ATOM 1344 C VAL A 87 11.170 -1.238 3.302 1.00 0.00 C ATOM 1345 O VAL A 87 11.188 -2.240 4.017 1.00 0.00 O ATOM 1346 CB VAL A 87 10.312 0.841 4.384 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.385 0.254 5.786 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.608 1.554 4.028 1.00 0.00 C ATOM 0 H VAL A 87 8.698 -1.301 4.622 1.00 0.00 H new ATOM 0 HA VAL A 87 9.873 0.198 2.371 1.00 0.00 H new ATOM 0 HB VAL A 87 9.504 1.572 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.605 1.047 6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.430 -0.207 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.173 -0.498 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.812 2.329 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.428 0.836 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.514 2.009 3.042 1.00 0.00 H new ATOM 1358 N THR A 88 12.148 -0.940 2.451 1.00 0.00 N ATOM 1359 CA THR A 88 13.321 -1.793 2.306 1.00 0.00 C ATOM 1360 C THR A 88 14.605 -0.974 2.357 1.00 0.00 C ATOM 1361 O THR A 88 14.657 0.152 1.862 1.00 0.00 O ATOM 1362 CB THR A 88 13.281 -2.583 0.984 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.051 -3.310 0.885 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.454 -3.546 0.894 1.00 0.00 C ATOM 0 H THR A 88 12.150 -0.114 1.852 1.00 0.00 H new ATOM 0 HA THR A 88 13.307 -2.495 3.140 1.00 0.00 H new ATOM 0 HB THR A 88 13.350 -1.873 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.611 -3.330 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.405 -4.093 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.388 -2.987 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.411 -4.250 1.725 1.00 0.00 H new ATOM 1372 N LYS A 89 15.643 -1.547 2.958 1.00 0.00 N ATOM 1373 CA LYS A 89 16.930 -0.871 3.072 1.00 0.00 C ATOM 1374 C LYS A 89 18.076 -1.828 2.758 1.00 0.00 C ATOM 1375 O LYS A 89 17.880 -3.039 2.670 1.00 0.00 O ATOM 1376 CB LYS A 89 17.103 -0.295 4.479 1.00 0.00 C ATOM 1377 CG LYS A 89 18.023 0.912 4.533 1.00 0.00 C ATOM 1378 CD LYS A 89 17.915 1.637 5.864 1.00 0.00 C ATOM 1379 CE LYS A 89 18.510 0.814 6.996 1.00 0.00 C ATOM 1380 NZ LYS A 89 18.785 1.645 8.201 1.00 0.00 N ATOM 0 H LYS A 89 15.618 -2.478 3.374 1.00 0.00 H new ATOM 0 HA LYS A 89 16.951 -0.057 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.125 -0.014 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.497 -1.072 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.053 0.593 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.773 1.597 3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.430 2.596 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.868 1.851 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.824 0.009 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.435 0.347 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.190 1.047 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.459 2.398 7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.898 2.070 8.539 1.00 0.00 H new ATOM 1394 N GLY A 90 19.274 -1.275 2.591 1.00 0.00 N ATOM 1395 CA GLY A 90 20.433 -2.093 2.290 1.00 0.00 C ATOM 1396 C GLY A 90 20.401 -3.430 3.005 1.00 0.00 C ATOM 1397 O GLY A 90 20.815 -3.533 4.160 1.00 0.00 O ATOM 0 H GLY A 90 19.462 -0.275 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.486 -2.261 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.337 -1.555 2.573 1.00 0.00 H new ATOM 1401 N ARG A 91 19.907 -4.455 2.319 1.00 0.00 N ATOM 1402 CA ARG A 91 19.820 -5.790 2.897 1.00 0.00 C ATOM 1403 C ARG A 91 18.912 -5.794 4.123 1.00 0.00 C ATOM 1404 O ARG A 91 19.269 -6.333 5.171 1.00 0.00 O ATOM 1405 CB ARG A 91 21.212 -6.296 3.278 1.00 0.00 C ATOM 1406 CG ARG A 91 21.986 -6.889 2.112 1.00 0.00 C ATOM 1407 CD ARG A 91 23.424 -7.198 2.496 1.00 0.00 C ATOM 1408 NE ARG A 91 24.181 -7.759 1.380 1.00 0.00 N ATOM 1409 CZ ARG A 91 25.392 -8.290 1.507 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.980 -8.332 2.694 1.00 0.00 N ATOM 1411 NH2 ARG A 91 26.017 -8.781 0.444 1.00 0.00 N ATOM 0 H ARG A 91 19.561 -4.386 1.362 1.00 0.00 H new ATOM 0 HA ARG A 91 19.392 -6.456 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.785 -5.471 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.114 -7.050 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.495 -7.802 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 91 21.974 -6.192 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.911 -6.286 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.434 -7.900 3.330 1.00 0.00 H new ATOM 0 HE ARG A 91 23.757 -7.742 0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.503 -7.956 3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.910 -8.740 2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 91 25.567 -8.751 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 91 26.947 -9.189 0.542 1.00 0.00 H new ATOM 1425 N ARG A 92 17.737 -5.188 3.985 1.00 0.00 N ATOM 1426 CA ARG A 92 16.779 -5.119 5.082 1.00 0.00 C ATOM 1427 C ARG A 92 15.351 -5.029 4.552 1.00 0.00 C ATOM 1428 O ARG A 92 15.132 -4.725 3.379 1.00 0.00 O ATOM 1429 CB ARG A 92 17.080 -3.914 5.975 1.00 0.00 C ATOM 1430 CG ARG A 92 18.518 -3.861 6.463 1.00 0.00 C ATOM 1431 CD ARG A 92 18.768 -2.636 7.329 1.00 0.00 C ATOM 1432 NE ARG A 92 19.840 -2.859 8.296 1.00 0.00 N ATOM 1433 CZ ARG A 92 19.664 -3.476 9.459 1.00 0.00 C ATOM 1434 NH1 ARG A 92 18.465 -3.930 9.797 1.00 0.00 N ATOM 1435 NH2 ARG A 92 20.688 -3.640 10.286 1.00 0.00 N ATOM 0 H ARG A 92 17.426 -4.738 3.124 1.00 0.00 H new ATOM 0 HA ARG A 92 16.873 -6.031 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.858 -3.000 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.413 -3.936 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.743 -4.763 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.193 -3.847 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.024 -1.789 6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.852 -2.373 7.858 1.00 0.00 H new ATOM 0 HE ARG A 92 20.775 -2.522 8.065 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.675 -3.806 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 92 18.332 -4.404 10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.612 -3.292 10.029 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.552 -4.114 11.179 1.00 0.00 H new ATOM 1449 N SER A 93 14.384 -5.297 5.423 1.00 0.00 N ATOM 1450 CA SER A 93 12.977 -5.250 5.042 1.00 0.00 C ATOM 1451 C SER A 93 12.082 -5.179 6.276 1.00 0.00 C ATOM 1452 O SER A 93 12.438 -5.677 7.344 1.00 0.00 O ATOM 1453 CB SER A 93 12.614 -6.478 4.204 1.00 0.00 C ATOM 1454 OG SER A 93 12.719 -7.666 4.969 1.00 0.00 O ATOM 0 H SER A 93 14.549 -5.549 6.398 1.00 0.00 H new ATOM 0 HA SER A 93 12.816 -4.351 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.598 -6.375 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.274 -6.540 3.338 1.00 0.00 H new ATOM 0 HG SER A 93 12.480 -8.436 4.412 1.00 0.00 H new ATOM 1460 N SER A 94 10.919 -4.555 6.119 1.00 0.00 N ATOM 1461 CA SER A 94 9.973 -4.414 7.220 1.00 0.00 C ATOM 1462 C SER A 94 8.724 -5.253 6.974 1.00 0.00 C ATOM 1463 O SER A 94 8.497 -5.742 5.866 1.00 0.00 O ATOM 1464 CB SER A 94 9.587 -2.945 7.404 1.00 0.00 C ATOM 1465 OG SER A 94 8.715 -2.515 6.373 1.00 0.00 O ATOM 0 H SER A 94 10.609 -4.139 5.241 1.00 0.00 H new ATOM 0 HA SER A 94 10.456 -4.772 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.105 -2.811 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.485 -2.327 7.407 1.00 0.00 H new ATOM 0 HG SER A 94 7.819 -2.369 6.742 1.00 0.00 H new ATOM 1471 N THR A 95 7.914 -5.418 8.015 1.00 0.00 N ATOM 1472 CA THR A 95 6.687 -6.198 7.914 1.00 0.00 C ATOM 1473 C THR A 95 5.617 -5.443 7.134 1.00 0.00 C ATOM 1474 O THR A 95 5.757 -4.249 6.867 1.00 0.00 O ATOM 1475 CB THR A 95 6.133 -6.557 9.306 1.00 0.00 C ATOM 1476 OG1 THR A 95 4.929 -7.320 9.172 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.857 -5.302 10.119 1.00 0.00 C ATOM 0 H THR A 95 8.086 -5.021 8.939 1.00 0.00 H new ATOM 0 HA THR A 95 6.940 -7.116 7.383 1.00 0.00 H new ATOM 0 HB THR A 95 6.882 -7.151 9.829 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.584 -7.546 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.467 -5.581 11.098 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.782 -4.739 10.244 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.124 -4.685 9.599 1.00 0.00 H new ATOM 1485 N TRP A 96 4.550 -6.145 6.771 1.00 0.00 N ATOM 1486 CA TRP A 96 3.456 -5.539 6.021 1.00 0.00 C ATOM 1487 C TRP A 96 2.571 -4.697 6.933 1.00 0.00 C ATOM 1488 O TRP A 96 1.793 -5.230 7.724 1.00 0.00 O ATOM 1489 CB TRP A 96 2.619 -6.621 5.336 1.00 0.00 C ATOM 1490 CG TRP A 96 3.353 -7.336 4.242 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.607 -8.675 4.164 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.928 -6.747 3.070 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.306 -8.955 3.014 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.515 -7.790 2.326 1.00 0.00 C ATOM 1495 CE3 TRP A 96 4.003 -5.442 2.576 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.167 -7.564 1.116 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.651 -5.221 1.376 1.00 0.00 C ATOM 1498 CH2 TRP A 96 5.226 -6.277 0.657 1.00 0.00 C ATOM 0 H TRP A 96 4.419 -7.134 6.984 1.00 0.00 H new ATOM 0 HA TRP A 96 3.887 -4.887 5.261 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.296 -7.347 6.082 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.718 -6.167 4.923 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.303 -9.407 4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.618 -9.881 2.721 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.562 -4.621 3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.610 -8.377 0.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.715 -4.216 0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.726 -6.071 -0.278 1.00 0.00 H new ATOM 1509 N SER A 97 2.695 -3.379 6.818 1.00 0.00 N ATOM 1510 CA SER A 97 1.909 -2.463 7.636 1.00 0.00 C ATOM 1511 C SER A 97 0.446 -2.893 7.680 1.00 0.00 C ATOM 1512 O SER A 97 0.014 -3.742 6.901 1.00 0.00 O ATOM 1513 CB SER A 97 2.016 -1.037 7.090 1.00 0.00 C ATOM 1514 OG SER A 97 1.580 -0.973 5.744 1.00 0.00 O ATOM 0 H SER A 97 3.332 -2.921 6.166 1.00 0.00 H new ATOM 0 HA SER A 97 2.308 -2.488 8.650 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.416 -0.364 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.049 -0.695 7.158 1.00 0.00 H new ATOM 0 HG SER A 97 2.358 -0.968 5.148 1.00 0.00 H new ATOM 1520 N MET A 98 -0.311 -2.301 8.599 1.00 0.00 N ATOM 1521 CA MET A 98 -1.726 -2.622 8.745 1.00 0.00 C ATOM 1522 C MET A 98 -2.415 -2.675 7.385 1.00 0.00 C ATOM 1523 O MET A 98 -2.577 -1.651 6.719 1.00 0.00 O ATOM 1524 CB MET A 98 -2.415 -1.590 9.639 1.00 0.00 C ATOM 1525 CG MET A 98 -2.069 -0.153 9.287 1.00 0.00 C ATOM 1526 SD MET A 98 -2.721 1.031 10.480 1.00 0.00 S ATOM 1527 CE MET A 98 -1.243 1.424 11.411 1.00 0.00 C ATOM 0 H MET A 98 0.032 -1.597 9.253 1.00 0.00 H new ATOM 0 HA MET A 98 -1.804 -3.605 9.210 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.495 -1.723 9.568 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.138 -1.778 10.676 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.986 -0.048 9.231 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.463 0.080 8.298 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.485 2.148 12.189 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.849 0.517 11.869 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.494 1.848 10.742 1.00 0.00 H new ATOM 1537 N THR A 99 -2.818 -3.874 6.976 1.00 0.00 N ATOM 1538 CA THR A 99 -3.488 -4.060 5.695 1.00 0.00 C ATOM 1539 C THR A 99 -4.794 -3.276 5.639 1.00 0.00 C ATOM 1540 O THR A 99 -5.784 -3.656 6.264 1.00 0.00 O ATOM 1541 CB THR A 99 -3.783 -5.547 5.426 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.614 -6.333 5.686 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.231 -5.758 3.988 1.00 0.00 C ATOM 0 H THR A 99 -2.692 -4.731 7.514 1.00 0.00 H new ATOM 0 HA THR A 99 -2.810 -3.687 4.927 1.00 0.00 H new ATOM 0 HB THR A 99 -4.588 -5.861 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.845 -5.937 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.434 -6.816 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.137 -5.181 3.801 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.444 -5.428 3.310 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.791 -2.181 4.886 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.977 -1.346 4.746 1.00 0.00 C ATOM 1553 C ALA A 100 -6.864 -1.838 3.607 1.00 0.00 C ATOM 1554 O ALA A 100 -6.435 -1.896 2.454 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.578 0.104 4.518 1.00 0.00 C ATOM 0 H ALA A 100 -3.979 -1.852 4.363 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.549 -1.413 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.474 0.716 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.992 0.458 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.981 0.179 3.609 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.102 -2.192 3.936 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.049 -2.679 2.940 1.00 0.00 C ATOM 1563 C HIS A 101 -9.899 -1.536 2.394 1.00 0.00 C ATOM 1564 O HIS A 101 -10.459 -0.748 3.155 1.00 0.00 O ATOM 1565 CB HIS A 101 -9.949 -3.756 3.545 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.226 -5.026 3.872 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.045 -5.478 5.163 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.639 -5.943 3.068 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.377 -6.617 5.138 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.118 -6.922 3.879 1.00 0.00 N ATOM 0 H HIS A 101 -8.473 -2.151 4.885 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.482 -3.112 2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.409 -3.366 4.453 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.757 -3.977 2.847 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.589 -5.911 1.990 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.091 -7.200 6.001 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.613 -7.749 3.561 1.00 0.00 H new ATOM 1579 N GLY A 102 -9.990 -1.451 1.071 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.773 -0.401 0.446 1.00 0.00 C ATOM 1581 C GLY A 102 -11.730 -0.936 -0.601 1.00 0.00 C ATOM 1582 O GLY A 102 -11.311 -1.572 -1.569 1.00 0.00 O ATOM 0 H GLY A 102 -9.535 -2.091 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.338 0.131 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.101 0.323 -0.016 1.00 0.00 H new ATOM 1586 N THR A 103 -13.020 -0.679 -0.409 1.00 0.00 N ATOM 1587 CA THR A 103 -14.039 -1.141 -1.342 1.00 0.00 C ATOM 1588 C THR A 103 -14.380 -0.061 -2.363 1.00 0.00 C ATOM 1589 O THR A 103 -14.946 0.977 -2.018 1.00 0.00 O ATOM 1590 CB THR A 103 -15.326 -1.561 -0.607 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.001 -2.392 0.513 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.264 -2.308 -1.543 1.00 0.00 C ATOM 0 H THR A 103 -13.384 -0.153 0.385 1.00 0.00 H new ATOM 0 HA THR A 103 -13.625 -2.007 -1.858 1.00 0.00 H new ATOM 0 HB THR A 103 -15.829 -0.660 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.824 -2.653 0.976 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.166 -2.595 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.532 -1.663 -2.380 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.767 -3.202 -1.919 1.00 0.00 H new ATOM 1600 N THR A 104 -14.034 -0.311 -3.621 1.00 0.00 N ATOM 1601 CA THR A 104 -14.303 0.640 -4.692 1.00 0.00 C ATOM 1602 C THR A 104 -15.799 0.760 -4.957 1.00 0.00 C ATOM 1603 O THR A 104 -16.591 -0.055 -4.485 1.00 0.00 O ATOM 1604 CB THR A 104 -13.593 0.233 -5.997 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.704 -1.181 -6.195 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.125 0.631 -5.962 1.00 0.00 C ATOM 0 H THR A 104 -13.566 -1.165 -3.924 1.00 0.00 H new ATOM 0 HA THR A 104 -13.916 1.604 -4.363 1.00 0.00 H new ATOM 0 HB THR A 104 -14.075 0.754 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.378 -1.413 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.645 0.333 -6.894 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.044 1.711 -5.841 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.633 0.134 -5.126 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.180 1.782 -5.717 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.583 2.009 -6.045 1.00 0.00 C ATOM 1616 C PHE A 105 -17.988 1.212 -7.282 1.00 0.00 C ATOM 1617 O PHE A 105 -17.147 0.607 -7.945 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.839 3.499 -6.278 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.730 4.329 -5.031 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.399 3.958 -3.875 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.958 5.479 -5.013 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.300 4.719 -2.726 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.856 6.244 -3.867 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.528 5.864 -2.722 1.00 0.00 C ATOM 0 H PHE A 105 -15.537 2.466 -6.117 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.187 1.671 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.127 3.871 -7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.834 3.626 -6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.005 3.064 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.430 5.781 -5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.826 4.419 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.251 7.139 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.450 6.461 -1.825 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.283 1.217 -7.584 1.00 0.00 N ATOM 1635 CA GLU A 106 -19.800 0.494 -8.739 1.00 0.00 C ATOM 1636 C GLU A 106 -19.620 1.309 -10.017 1.00 0.00 C ATOM 1637 O GLU A 106 -20.012 2.475 -10.083 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.279 0.159 -8.539 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.536 -0.797 -7.387 1.00 0.00 C ATOM 1640 CD GLU A 106 -21.293 -0.158 -6.033 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -20.143 -0.213 -5.550 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -22.252 0.397 -5.458 1.00 0.00 O ATOM 0 H GLU A 106 -19.992 1.714 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.235 -0.433 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.831 1.082 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.671 -0.278 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.565 -1.152 -7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -20.892 -1.670 -7.494 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.024 0.689 -11.029 1.00 0.00 N ATOM 1650 CA LEU A 107 -18.790 1.356 -12.305 1.00 0.00 C ATOM 1651 C LEU A 107 -20.108 1.768 -12.953 1.00 0.00 C ATOM 1652 O LEU A 107 -20.306 2.934 -13.295 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.011 0.438 -13.248 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.099 1.133 -14.259 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -16.075 0.155 -14.816 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.920 1.746 -15.384 1.00 0.00 C ATOM 0 H LEU A 107 -18.694 -0.275 -10.991 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.202 2.254 -12.115 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.404 -0.238 -12.646 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.725 -0.177 -13.796 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.565 1.934 -13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -15.435 0.668 -15.534 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -15.466 -0.237 -14.002 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.590 -0.668 -15.312 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.255 2.237 -16.094 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.481 0.963 -15.894 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.613 2.479 -14.971 1.00 0.00 H new ATOM 1668 N SER A 108 -21.008 0.803 -13.116 1.00 0.00 N ATOM 1669 CA SER A 108 -22.307 1.065 -13.725 1.00 0.00 C ATOM 1670 C SER A 108 -23.396 1.161 -12.660 1.00 0.00 C ATOM 1671 O SER A 108 -23.497 0.307 -11.780 1.00 0.00 O ATOM 1672 CB SER A 108 -22.656 -0.036 -14.728 1.00 0.00 C ATOM 1673 OG SER A 108 -23.953 0.155 -15.264 1.00 0.00 O ATOM 0 H SER A 108 -20.862 -0.167 -12.835 1.00 0.00 H new ATOM 0 HA SER A 108 -22.249 2.019 -14.249 1.00 0.00 H new ATOM 0 HB2 SER A 108 -21.923 -0.043 -15.535 1.00 0.00 H new ATOM 0 HB3 SER A 108 -22.601 -1.009 -14.239 1.00 0.00 H new ATOM 0 HG SER A 108 -24.151 -0.561 -15.903 1.00 0.00 H new ATOM 1679 N GLY A 109 -24.210 2.209 -12.748 1.00 0.00 N ATOM 1680 CA GLY A 109 -25.281 2.399 -11.787 1.00 0.00 C ATOM 1681 C GLY A 109 -26.513 3.026 -12.408 1.00 0.00 C ATOM 1682 O GLY A 109 -27.543 2.375 -12.589 1.00 0.00 O ATOM 0 H GLY A 109 -24.147 2.929 -13.467 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -25.548 1.437 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -24.927 3.031 -10.973 1.00 0.00 H new ATOM 1686 N PRO A 110 -26.417 4.321 -12.745 1.00 0.00 N ATOM 1687 CA PRO A 110 -27.524 5.064 -13.354 1.00 0.00 C ATOM 1688 C PRO A 110 -27.810 4.612 -14.782 1.00 0.00 C ATOM 1689 O PRO A 110 -28.812 5.006 -15.379 1.00 0.00 O ATOM 1690 CB PRO A 110 -27.029 6.512 -13.341 1.00 0.00 C ATOM 1691 CG PRO A 110 -25.543 6.404 -13.336 1.00 0.00 C ATOM 1692 CD PRO A 110 -25.221 5.158 -12.559 1.00 0.00 C ATOM 0 HA PRO A 110 -28.460 4.914 -12.816 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -27.383 7.059 -14.214 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -27.390 7.046 -12.462 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -25.153 6.342 -14.352 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -25.090 7.281 -12.873 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -24.325 4.668 -12.939 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -25.043 5.376 -11.506 1.00 0.00 H new ATOM 1700 N SER A 111 -26.924 3.783 -15.324 1.00 0.00 N ATOM 1701 CA SER A 111 -27.080 3.280 -16.684 1.00 0.00 C ATOM 1702 C SER A 111 -27.557 1.831 -16.676 1.00 0.00 C ATOM 1703 O SER A 111 -26.752 0.901 -16.718 1.00 0.00 O ATOM 1704 CB SER A 111 -25.757 3.389 -17.445 1.00 0.00 C ATOM 1705 OG SER A 111 -25.926 3.052 -18.812 1.00 0.00 O ATOM 0 H SER A 111 -26.091 3.445 -14.842 1.00 0.00 H new ATOM 0 HA SER A 111 -27.832 3.889 -17.186 1.00 0.00 H new ATOM 0 HB2 SER A 111 -25.369 4.404 -17.363 1.00 0.00 H new ATOM 0 HB3 SER A 111 -25.018 2.728 -16.993 1.00 0.00 H new ATOM 0 HG SER A 111 -25.067 3.131 -19.277 1.00 0.00 H new ATOM 1711 N SER A 112 -28.872 1.649 -16.622 1.00 0.00 N ATOM 1712 CA SER A 112 -29.459 0.314 -16.604 1.00 0.00 C ATOM 1713 C SER A 112 -29.108 -0.451 -17.877 1.00 0.00 C ATOM 1714 O SER A 112 -29.702 -0.229 -18.932 1.00 0.00 O ATOM 1715 CB SER A 112 -30.978 0.403 -16.452 1.00 0.00 C ATOM 1716 OG SER A 112 -31.551 -0.883 -16.287 1.00 0.00 O ATOM 0 H SER A 112 -29.552 2.409 -16.590 1.00 0.00 H new ATOM 0 HA SER A 112 -29.047 -0.225 -15.751 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.225 1.027 -15.593 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.407 0.886 -17.330 1.00 0.00 H new ATOM 0 HG SER A 112 -32.523 -0.798 -16.190 1.00 0.00 H new ATOM 1722 N GLY A 113 -28.137 -1.353 -17.770 1.00 0.00 N ATOM 1723 CA GLY A 113 -27.723 -2.137 -18.919 1.00 0.00 C ATOM 1724 C GLY A 113 -26.219 -2.313 -18.988 1.00 0.00 C ATOM 1725 O GLY A 113 -25.652 -2.441 -20.073 1.00 0.00 O ATOM 0 H GLY A 113 -27.630 -1.555 -16.908 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -28.199 -3.117 -18.877 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -28.071 -1.652 -19.831 1.00 0.00 H new TER 1729 GLY A 113