USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 40:sc= 2.28 USER MOD Set 1.2: A 72 SER OG : rot -96:sc= 2.15 USER MOD Set 2.1: A 13 THR OG1 : rot 26:sc= 0.453 USER MOD Set 2.2: A 16 THR OG1 : rot 180:sc= 0.379 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0384 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0329 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.36) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00514 X(o=-0.0051,f=-0.0023) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0.742 (180deg=0.662) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.378) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0.981 (180deg=0.457) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.387 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 86 CYS SG : rot -180:sc= 2.05 USER MOD Single : A 87 THR OG1 : rot 128:sc= 0.25 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 105 THR OG1 : rot 65:sc= 0.774 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.562 26.955 -18.971 1.00 0.00 N ATOM 2 CA GLY A 1 19.260 25.924 -18.186 1.00 0.00 C ATOM 3 C GLY A 1 20.695 26.336 -17.939 1.00 0.00 C ATOM 4 O GLY A 1 21.307 26.938 -18.815 1.00 0.00 O ATOM 0 H1 GLY A 1 18.051 26.506 -19.757 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.886 27.458 -18.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.255 27.631 -19.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.749 25.773 -17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.234 24.973 -18.717 1.00 0.00 H new ATOM 8 N SER A 2 21.204 26.051 -16.743 1.00 0.00 N ATOM 9 CA SER A 2 22.599 26.150 -16.327 1.00 0.00 C ATOM 10 C SER A 2 22.685 25.472 -14.952 1.00 0.00 C ATOM 11 O SER A 2 23.463 24.542 -14.754 1.00 0.00 O ATOM 12 CB SER A 2 23.058 27.621 -16.269 1.00 0.00 C ATOM 13 OG SER A 2 24.452 27.703 -16.062 1.00 0.00 O ATOM 0 H SER A 2 20.608 25.721 -15.984 1.00 0.00 H new ATOM 0 HA SER A 2 23.262 25.661 -17.040 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.793 28.126 -17.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.535 28.138 -15.465 1.00 0.00 H new ATOM 0 HG SER A 2 24.723 28.644 -16.030 1.00 0.00 H new ATOM 19 N SER A 3 21.826 25.903 -14.023 1.00 0.00 N ATOM 20 CA SER A 3 21.792 25.606 -12.597 1.00 0.00 C ATOM 21 C SER A 3 21.390 24.156 -12.244 1.00 0.00 C ATOM 22 O SER A 3 20.544 23.940 -11.371 1.00 0.00 O ATOM 23 CB SER A 3 20.825 26.625 -11.963 1.00 0.00 C ATOM 24 OG SER A 3 20.914 27.909 -12.559 1.00 0.00 O ATOM 0 H SER A 3 21.064 26.530 -14.282 1.00 0.00 H new ATOM 0 HA SER A 3 22.804 25.692 -12.200 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.803 26.256 -12.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.039 26.708 -10.897 1.00 0.00 H new ATOM 0 HG SER A 3 20.281 28.517 -12.123 1.00 0.00 H new ATOM 30 N GLY A 4 21.967 23.142 -12.884 1.00 0.00 N ATOM 31 CA GLY A 4 21.694 21.742 -12.594 1.00 0.00 C ATOM 32 C GLY A 4 22.350 21.314 -11.282 1.00 0.00 C ATOM 33 O GLY A 4 23.471 20.811 -11.313 1.00 0.00 O ATOM 0 H GLY A 4 22.649 23.275 -13.631 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.617 21.583 -12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.064 21.120 -13.409 1.00 0.00 H new ATOM 37 N SER A 5 21.670 21.490 -10.146 1.00 0.00 N ATOM 38 CA SER A 5 22.057 20.920 -8.860 1.00 0.00 C ATOM 39 C SER A 5 20.769 20.628 -8.083 1.00 0.00 C ATOM 40 O SER A 5 20.194 21.528 -7.467 1.00 0.00 O ATOM 41 CB SER A 5 23.008 21.875 -8.116 1.00 0.00 C ATOM 42 OG SER A 5 23.777 21.235 -7.105 1.00 0.00 O ATOM 0 H SER A 5 20.816 22.046 -10.097 1.00 0.00 H new ATOM 0 HA SER A 5 22.611 19.989 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.683 22.338 -8.836 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.425 22.677 -7.665 1.00 0.00 H new ATOM 0 HG SER A 5 24.360 21.893 -6.672 1.00 0.00 H new ATOM 48 N SER A 6 20.282 19.390 -8.168 1.00 0.00 N ATOM 49 CA SER A 6 19.218 18.869 -7.325 1.00 0.00 C ATOM 50 C SER A 6 19.846 18.346 -6.028 1.00 0.00 C ATOM 51 O SER A 6 19.953 19.109 -5.072 1.00 0.00 O ATOM 52 CB SER A 6 18.411 17.808 -8.084 1.00 0.00 C ATOM 53 OG SER A 6 17.911 18.344 -9.296 1.00 0.00 O ATOM 0 H SER A 6 20.628 18.709 -8.843 1.00 0.00 H new ATOM 0 HA SER A 6 18.505 19.650 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.041 16.943 -8.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.585 17.458 -7.465 1.00 0.00 H new ATOM 0 HG SER A 6 17.400 17.656 -9.771 1.00 0.00 H new ATOM 59 N GLY A 7 20.339 17.101 -5.988 1.00 0.00 N ATOM 60 CA GLY A 7 20.682 16.433 -4.736 1.00 0.00 C ATOM 61 C GLY A 7 19.425 15.773 -4.181 1.00 0.00 C ATOM 62 O GLY A 7 18.430 16.455 -3.924 1.00 0.00 O ATOM 0 H GLY A 7 20.509 16.536 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.459 15.687 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.080 17.152 -4.020 1.00 0.00 H new ATOM 66 N MET A 8 19.414 14.446 -4.059 1.00 0.00 N ATOM 67 CA MET A 8 18.222 13.670 -3.731 1.00 0.00 C ATOM 68 C MET A 8 18.558 12.710 -2.591 1.00 0.00 C ATOM 69 O MET A 8 19.189 11.675 -2.806 1.00 0.00 O ATOM 70 CB MET A 8 17.697 13.003 -5.016 1.00 0.00 C ATOM 71 CG MET A 8 16.305 12.380 -4.863 1.00 0.00 C ATOM 72 SD MET A 8 16.280 10.659 -4.295 1.00 0.00 S ATOM 73 CE MET A 8 14.490 10.453 -4.103 1.00 0.00 C ATOM 0 H MET A 8 20.247 13.872 -4.188 1.00 0.00 H new ATOM 0 HA MET A 8 17.406 14.292 -3.364 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.667 13.745 -5.814 1.00 0.00 H new ATOM 0 HB3 MET A 8 18.399 12.229 -5.326 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.730 12.985 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.794 12.435 -5.824 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.275 9.442 -3.756 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.117 11.174 -3.376 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.000 10.619 -5.062 1.00 0.00 H new ATOM 83 N ASN A 9 18.196 13.092 -1.362 1.00 0.00 N ATOM 84 CA ASN A 9 18.350 12.264 -0.163 1.00 0.00 C ATOM 85 C ASN A 9 17.465 11.020 -0.247 1.00 0.00 C ATOM 86 O ASN A 9 16.462 11.016 -0.968 1.00 0.00 O ATOM 87 CB ASN A 9 17.961 13.058 1.095 1.00 0.00 C ATOM 88 CG ASN A 9 18.933 14.175 1.442 1.00 0.00 C ATOM 89 OD1 ASN A 9 20.122 14.124 1.132 1.00 0.00 O ATOM 90 ND2 ASN A 9 18.460 15.235 2.063 1.00 0.00 N ATOM 0 H ASN A 9 17.780 14.003 -1.170 1.00 0.00 H new ATOM 0 HA ASN A 9 19.396 11.965 -0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.968 13.485 0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.894 12.372 1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.080 16.014 2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.474 15.278 2.320 1.00 0.00 H new ATOM 97 N LYS A 10 17.796 9.982 0.532 1.00 0.00 N ATOM 98 CA LYS A 10 17.012 8.753 0.563 1.00 0.00 C ATOM 99 C LYS A 10 15.569 9.056 1.000 1.00 0.00 C ATOM 100 O LYS A 10 15.371 9.779 1.980 1.00 0.00 O ATOM 101 CB LYS A 10 17.637 7.664 1.454 1.00 0.00 C ATOM 102 CG LYS A 10 18.747 6.840 0.770 1.00 0.00 C ATOM 103 CD LYS A 10 20.148 7.453 0.875 1.00 0.00 C ATOM 104 CE LYS A 10 21.218 6.463 0.392 1.00 0.00 C ATOM 105 NZ LYS A 10 21.481 6.516 -1.060 1.00 0.00 N ATOM 0 H LYS A 10 18.607 9.975 1.150 1.00 0.00 H new ATOM 0 HA LYS A 10 17.006 8.352 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.049 8.134 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.850 6.986 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.766 5.843 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.495 6.718 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.196 8.365 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 10 20.349 7.736 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 10 22.148 6.661 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.908 5.452 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.213 5.820 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.607 6.297 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 21.808 7.469 -1.319 1.00 0.00 H new ATOM 119 N PRO A 11 14.568 8.513 0.287 1.00 0.00 N ATOM 120 CA PRO A 11 13.156 8.608 0.639 1.00 0.00 C ATOM 121 C PRO A 11 12.820 7.711 1.847 1.00 0.00 C ATOM 122 O PRO A 11 13.673 7.405 2.683 1.00 0.00 O ATOM 123 CB PRO A 11 12.412 8.240 -0.652 1.00 0.00 C ATOM 124 CG PRO A 11 13.361 7.250 -1.320 1.00 0.00 C ATOM 125 CD PRO A 11 14.729 7.798 -0.971 1.00 0.00 C ATOM 0 HA PRO A 11 12.858 9.602 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.440 7.792 -0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.233 9.114 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.222 6.238 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.206 7.208 -2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.458 6.993 -0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.094 8.463 -1.754 1.00 0.00 H new ATOM 133 N LEU A 12 11.540 7.366 2.008 1.00 0.00 N ATOM 134 CA LEU A 12 11.017 6.552 3.097 1.00 0.00 C ATOM 135 C LEU A 12 11.684 5.176 3.035 1.00 0.00 C ATOM 136 O LEU A 12 11.494 4.435 2.075 1.00 0.00 O ATOM 137 CB LEU A 12 9.488 6.384 3.001 1.00 0.00 C ATOM 138 CG LEU A 12 8.589 7.632 2.962 1.00 0.00 C ATOM 139 CD1 LEU A 12 8.733 8.464 4.243 1.00 0.00 C ATOM 140 CD2 LEU A 12 8.767 8.516 1.723 1.00 0.00 C ATOM 0 H LEU A 12 10.814 7.660 1.354 1.00 0.00 H new ATOM 0 HA LEU A 12 11.236 7.051 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.279 5.803 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.172 5.780 3.852 1.00 0.00 H new ATOM 0 HG LEU A 12 7.575 7.239 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.085 9.338 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.448 7.859 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.768 8.787 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.092 9.370 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.797 8.870 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.539 7.938 0.828 1.00 0.00 H new ATOM 152 N THR A 13 12.470 4.828 4.047 1.00 0.00 N ATOM 153 CA THR A 13 13.167 3.559 4.106 1.00 0.00 C ATOM 154 C THR A 13 12.160 2.408 4.194 1.00 0.00 C ATOM 155 O THR A 13 11.087 2.577 4.777 1.00 0.00 O ATOM 156 CB THR A 13 14.123 3.584 5.306 1.00 0.00 C ATOM 157 OG1 THR A 13 13.500 4.162 6.440 1.00 0.00 O ATOM 158 CG2 THR A 13 15.350 4.412 4.946 1.00 0.00 C ATOM 0 H THR A 13 12.640 5.428 4.855 1.00 0.00 H new ATOM 0 HA THR A 13 13.752 3.399 3.200 1.00 0.00 H new ATOM 0 HB THR A 13 14.405 2.559 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.529 4.044 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.035 4.435 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.851 3.966 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.043 5.429 4.700 1.00 0.00 H new ATOM 166 N PRO A 14 12.505 1.210 3.700 1.00 0.00 N ATOM 167 CA PRO A 14 11.570 0.097 3.615 1.00 0.00 C ATOM 168 C PRO A 14 11.082 -0.375 4.986 1.00 0.00 C ATOM 169 O PRO A 14 9.996 -0.936 5.056 1.00 0.00 O ATOM 170 CB PRO A 14 12.276 -1.001 2.813 1.00 0.00 C ATOM 171 CG PRO A 14 13.748 -0.584 2.737 1.00 0.00 C ATOM 172 CD PRO A 14 13.785 0.901 3.097 1.00 0.00 C ATOM 0 HA PRO A 14 10.653 0.402 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.169 -1.970 3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.845 -1.096 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.355 -1.168 3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.150 -0.753 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.601 1.112 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.953 1.511 2.210 1.00 0.00 H new ATOM 180 N SER A 15 11.804 -0.112 6.080 1.00 0.00 N ATOM 181 CA SER A 15 11.368 -0.456 7.430 1.00 0.00 C ATOM 182 C SER A 15 10.455 0.603 8.069 1.00 0.00 C ATOM 183 O SER A 15 9.979 0.411 9.194 1.00 0.00 O ATOM 184 CB SER A 15 12.621 -0.692 8.275 1.00 0.00 C ATOM 185 OG SER A 15 13.424 0.478 8.340 1.00 0.00 O ATOM 0 H SER A 15 12.713 0.349 6.049 1.00 0.00 H new ATOM 0 HA SER A 15 10.756 -1.356 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.332 -0.995 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 15 13.201 -1.511 7.850 1.00 0.00 H new ATOM 0 HG SER A 15 14.217 0.300 8.887 1.00 0.00 H new ATOM 191 N THR A 16 10.232 1.740 7.408 1.00 0.00 N ATOM 192 CA THR A 16 9.312 2.763 7.873 1.00 0.00 C ATOM 193 C THR A 16 7.901 2.156 7.925 1.00 0.00 C ATOM 194 O THR A 16 7.460 1.568 6.944 1.00 0.00 O ATOM 195 CB THR A 16 9.427 3.985 6.950 1.00 0.00 C ATOM 196 OG1 THR A 16 10.697 4.599 7.104 1.00 0.00 O ATOM 197 CG2 THR A 16 8.402 5.047 7.301 1.00 0.00 C ATOM 0 H THR A 16 10.692 1.973 6.528 1.00 0.00 H new ATOM 0 HA THR A 16 9.550 3.107 8.879 1.00 0.00 H new ATOM 0 HB THR A 16 9.271 3.621 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.759 5.376 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.513 5.897 6.627 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.399 4.632 7.200 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.556 5.376 8.329 1.00 0.00 H new ATOM 205 N TYR A 17 7.191 2.254 9.052 1.00 0.00 N ATOM 206 CA TYR A 17 5.799 1.809 9.137 1.00 0.00 C ATOM 207 C TYR A 17 4.903 2.734 8.319 1.00 0.00 C ATOM 208 O TYR A 17 5.200 3.914 8.159 1.00 0.00 O ATOM 209 CB TYR A 17 5.309 1.836 10.587 1.00 0.00 C ATOM 210 CG TYR A 17 5.568 0.584 11.392 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.867 0.054 11.478 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.509 -0.022 12.095 1.00 0.00 C ATOM 213 CE1 TYR A 17 7.117 -1.055 12.306 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.748 -1.136 12.913 1.00 0.00 C ATOM 215 CZ TYR A 17 6.058 -1.650 13.029 1.00 0.00 C ATOM 216 OH TYR A 17 6.319 -2.658 13.906 1.00 0.00 O ATOM 0 H TYR A 17 7.560 2.639 9.921 1.00 0.00 H new ATOM 0 HA TYR A 17 5.751 0.791 8.750 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.782 2.676 11.095 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.236 2.028 10.585 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.671 0.497 10.910 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.508 0.373 12.004 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.118 -1.452 12.389 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.934 -1.598 13.452 1.00 0.00 H new ATOM 0 HH TYR A 17 5.482 -2.955 14.321 1.00 0.00 H new ATOM 226 N ILE A 18 3.731 2.255 7.904 1.00 0.00 N ATOM 227 CA ILE A 18 2.792 3.086 7.150 1.00 0.00 C ATOM 228 C ILE A 18 2.281 4.254 8.003 1.00 0.00 C ATOM 229 O ILE A 18 2.154 5.371 7.512 1.00 0.00 O ATOM 230 CB ILE A 18 1.605 2.279 6.577 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.852 0.765 6.427 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.222 2.917 5.233 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.817 0.416 5.308 1.00 0.00 C ATOM 0 H ILE A 18 3.410 1.302 8.075 1.00 0.00 H new ATOM 0 HA ILE A 18 3.348 3.484 6.301 1.00 0.00 H new ATOM 0 HB ILE A 18 0.790 2.333 7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.241 0.374 7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.900 0.266 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.385 2.372 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.935 3.956 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.074 2.876 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.943 -0.666 5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.420 0.777 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.782 0.886 5.500 1.00 0.00 H new ATOM 245 N ARG A 19 2.036 4.022 9.299 1.00 0.00 N ATOM 246 CA ARG A 19 1.615 5.064 10.244 1.00 0.00 C ATOM 247 C ARG A 19 2.609 6.226 10.302 1.00 0.00 C ATOM 248 O ARG A 19 2.205 7.364 10.530 1.00 0.00 O ATOM 249 CB ARG A 19 1.366 4.480 11.645 1.00 0.00 C ATOM 250 CG ARG A 19 2.515 3.612 12.189 1.00 0.00 C ATOM 251 CD ARG A 19 2.446 3.448 13.704 1.00 0.00 C ATOM 252 NE ARG A 19 1.219 2.764 14.141 1.00 0.00 N ATOM 253 CZ ARG A 19 0.858 2.597 15.415 1.00 0.00 C ATOM 254 NH1 ARG A 19 1.692 2.880 16.409 1.00 0.00 N ATOM 255 NH2 ARG A 19 -0.357 2.158 15.699 1.00 0.00 N ATOM 0 H ARG A 19 2.125 3.099 9.724 1.00 0.00 H new ATOM 0 HA ARG A 19 0.672 5.466 9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.187 5.300 12.340 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.456 3.881 11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.481 2.630 11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.469 4.063 11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.314 2.884 14.045 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.499 4.429 14.175 1.00 0.00 H new ATOM 0 HE ARG A 19 0.601 2.391 13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.627 3.232 16.205 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.397 2.746 17.376 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.013 1.949 14.946 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.638 2.029 16.671 1.00 0.00 H new ATOM 269 N ASN A 20 3.895 5.942 10.083 1.00 0.00 N ATOM 270 CA ASN A 20 4.983 6.910 10.127 1.00 0.00 C ATOM 271 C ASN A 20 4.887 7.900 8.965 1.00 0.00 C ATOM 272 O ASN A 20 5.395 9.020 9.065 1.00 0.00 O ATOM 273 CB ASN A 20 6.296 6.132 10.010 1.00 0.00 C ATOM 274 CG ASN A 20 7.548 6.933 10.320 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.995 7.768 9.539 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.194 6.607 11.420 1.00 0.00 N ATOM 0 H ASN A 20 4.214 4.998 9.863 1.00 0.00 H new ATOM 0 HA ASN A 20 4.931 7.475 11.058 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.255 5.276 10.684 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.377 5.737 8.997 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.086 7.051 11.638 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.803 5.910 12.054 1.00 0.00 H new ATOM 283 N LEU A 21 4.262 7.484 7.853 1.00 0.00 N ATOM 284 CA LEU A 21 4.135 8.286 6.649 1.00 0.00 C ATOM 285 C LEU A 21 3.321 9.519 6.974 1.00 0.00 C ATOM 286 O LEU A 21 2.142 9.436 7.323 1.00 0.00 O ATOM 287 CB LEU A 21 3.504 7.520 5.472 1.00 0.00 C ATOM 288 CG LEU A 21 4.301 6.300 4.968 1.00 0.00 C ATOM 289 CD1 LEU A 21 3.808 5.898 3.573 1.00 0.00 C ATOM 290 CD2 LEU A 21 5.792 6.628 4.877 1.00 0.00 C ATOM 0 H LEU A 21 3.827 6.565 7.774 1.00 0.00 H new ATOM 0 HA LEU A 21 5.138 8.560 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.511 7.185 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.370 8.213 4.641 1.00 0.00 H new ATOM 0 HG LEU A 21 4.151 5.483 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.374 5.036 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.750 5.642 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.949 6.730 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.336 5.754 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.941 7.456 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.164 6.908 5.863 1.00 0.00 H new ATOM 302 N ASN A 22 3.976 10.669 6.873 1.00 0.00 N ATOM 303 CA ASN A 22 3.371 11.956 7.157 1.00 0.00 C ATOM 304 C ASN A 22 2.164 12.159 6.250 1.00 0.00 C ATOM 305 O ASN A 22 2.165 11.698 5.106 1.00 0.00 O ATOM 306 CB ASN A 22 4.388 13.068 6.890 1.00 0.00 C ATOM 307 CG ASN A 22 4.195 14.223 7.838 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.130 14.834 7.868 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.229 14.560 8.584 1.00 0.00 N ATOM 0 H ASN A 22 4.953 10.730 6.588 1.00 0.00 H new ATOM 0 HA ASN A 22 3.058 11.986 8.201 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.398 12.673 6.995 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.287 13.417 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.163 15.356 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.095 14.024 8.527 1.00 0.00 H new ATOM 316 N VAL A 23 1.182 12.936 6.689 1.00 0.00 N ATOM 317 CA VAL A 23 0.028 13.308 5.884 1.00 0.00 C ATOM 318 C VAL A 23 0.440 13.981 4.561 1.00 0.00 C ATOM 319 O VAL A 23 -0.268 13.842 3.564 1.00 0.00 O ATOM 320 CB VAL A 23 -0.899 14.152 6.772 1.00 0.00 C ATOM 321 CG1 VAL A 23 -0.345 15.556 7.045 1.00 0.00 C ATOM 322 CG2 VAL A 23 -2.318 14.189 6.211 1.00 0.00 C ATOM 0 H VAL A 23 1.166 13.331 7.629 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.523 12.427 5.556 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.943 13.658 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.042 16.106 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.617 15.475 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.216 16.086 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.951 14.794 6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.303 14.624 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.715 13.175 6.159 1.00 0.00 H new ATOM 332 N GLY A 24 1.613 14.629 4.509 1.00 0.00 N ATOM 333 CA GLY A 24 2.225 15.105 3.275 1.00 0.00 C ATOM 334 C GLY A 24 2.389 13.967 2.265 1.00 0.00 C ATOM 335 O GLY A 24 1.840 14.022 1.164 1.00 0.00 O ATOM 0 H GLY A 24 2.166 14.837 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.610 15.894 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.198 15.544 3.494 1.00 0.00 H new ATOM 339 N ILE A 25 3.121 12.919 2.651 1.00 0.00 N ATOM 340 CA ILE A 25 3.354 11.732 1.844 1.00 0.00 C ATOM 341 C ILE A 25 2.019 11.036 1.568 1.00 0.00 C ATOM 342 O ILE A 25 1.798 10.594 0.452 1.00 0.00 O ATOM 343 CB ILE A 25 4.382 10.804 2.539 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.769 11.475 2.662 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.577 9.488 1.761 1.00 0.00 C ATOM 346 CD1 ILE A 25 5.953 12.386 3.877 1.00 0.00 C ATOM 0 H ILE A 25 3.579 12.878 3.562 1.00 0.00 H new ATOM 0 HA ILE A 25 3.785 12.009 0.882 1.00 0.00 H new ATOM 0 HB ILE A 25 3.974 10.601 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.529 10.695 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.952 12.059 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.305 8.864 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.626 8.959 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.938 9.709 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.959 12.805 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.223 13.194 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.809 11.808 4.790 1.00 0.00 H new ATOM 358 N LEU A 26 1.112 10.943 2.541 1.00 0.00 N ATOM 359 CA LEU A 26 -0.179 10.282 2.353 1.00 0.00 C ATOM 360 C LEU A 26 -1.023 10.990 1.283 1.00 0.00 C ATOM 361 O LEU A 26 -1.633 10.324 0.447 1.00 0.00 O ATOM 362 CB LEU A 26 -0.918 10.208 3.696 1.00 0.00 C ATOM 363 CG LEU A 26 -0.307 9.232 4.726 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.051 9.338 6.062 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.368 7.775 4.257 1.00 0.00 C ATOM 0 H LEU A 26 1.251 11.322 3.478 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.005 9.268 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.944 11.206 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.951 9.915 3.509 1.00 0.00 H new ATOM 0 HG LEU A 26 0.739 9.516 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.611 8.645 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.970 10.356 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.102 9.088 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.074 7.130 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.407 7.488 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.186 7.670 3.324 1.00 0.00 H new ATOM 377 N ARG A 27 -1.044 12.328 1.264 1.00 0.00 N ATOM 378 CA ARG A 27 -1.660 13.110 0.190 1.00 0.00 C ATOM 379 C ARG A 27 -0.967 12.838 -1.138 1.00 0.00 C ATOM 380 O ARG A 27 -1.658 12.590 -2.121 1.00 0.00 O ATOM 381 CB ARG A 27 -1.596 14.609 0.510 1.00 0.00 C ATOM 382 CG ARG A 27 -2.656 15.074 1.521 1.00 0.00 C ATOM 383 CD ARG A 27 -3.839 15.789 0.851 1.00 0.00 C ATOM 384 NE ARG A 27 -4.933 14.899 0.420 1.00 0.00 N ATOM 385 CZ ARG A 27 -6.037 15.330 -0.214 1.00 0.00 C ATOM 386 NH1 ARG A 27 -6.204 16.615 -0.488 1.00 0.00 N ATOM 387 NH2 ARG A 27 -6.980 14.477 -0.582 1.00 0.00 N ATOM 0 H ARG A 27 -0.631 12.901 2.000 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.705 12.809 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.606 14.845 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.717 15.174 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.025 14.212 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.193 15.745 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.241 16.526 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.471 16.336 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.847 13.901 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.490 17.291 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.047 16.928 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.873 13.482 -0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.814 14.815 -1.063 1.00 0.00 H new ATOM 401 N LYS A 28 0.371 12.881 -1.182 1.00 0.00 N ATOM 402 CA LYS A 28 1.117 12.561 -2.400 1.00 0.00 C ATOM 403 C LYS A 28 0.688 11.204 -2.927 1.00 0.00 C ATOM 404 O LYS A 28 0.341 11.087 -4.095 1.00 0.00 O ATOM 405 CB LYS A 28 2.625 12.591 -2.169 1.00 0.00 C ATOM 406 CG LYS A 28 3.145 14.024 -2.150 1.00 0.00 C ATOM 407 CD LYS A 28 3.188 14.670 -3.548 1.00 0.00 C ATOM 408 CE LYS A 28 4.183 15.835 -3.635 1.00 0.00 C ATOM 409 NZ LYS A 28 3.702 17.078 -2.971 1.00 0.00 N ATOM 0 H LYS A 28 0.957 13.135 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 28 0.888 13.326 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.862 12.102 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.128 12.028 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.512 14.625 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.147 14.035 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.457 13.913 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.192 15.029 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.126 15.532 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.389 16.049 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.421 17.823 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.817 17.391 -3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.532 16.889 -1.963 1.00 0.00 H new ATOM 423 N LEU A 29 0.722 10.178 -2.085 1.00 0.00 N ATOM 424 CA LEU A 29 0.319 8.827 -2.453 1.00 0.00 C ATOM 425 C LEU A 29 -1.092 8.829 -3.035 1.00 0.00 C ATOM 426 O LEU A 29 -1.297 8.235 -4.085 1.00 0.00 O ATOM 427 CB LEU A 29 0.458 7.883 -1.246 1.00 0.00 C ATOM 428 CG LEU A 29 1.798 7.120 -1.194 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.793 5.955 -2.188 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.051 7.970 -1.438 1.00 0.00 C ATOM 0 H LEU A 29 1.034 10.262 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 29 0.982 8.452 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.347 8.463 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.358 7.161 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 29 1.865 6.768 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.746 5.429 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.985 5.267 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.644 6.339 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.937 7.337 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.995 8.425 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.113 8.752 -0.681 1.00 0.00 H new ATOM 442 N SER A 30 -2.048 9.525 -2.416 1.00 0.00 N ATOM 443 CA SER A 30 -3.425 9.620 -2.901 1.00 0.00 C ATOM 444 C SER A 30 -3.486 10.122 -4.352 1.00 0.00 C ATOM 445 O SER A 30 -4.290 9.619 -5.132 1.00 0.00 O ATOM 446 CB SER A 30 -4.210 10.497 -1.914 1.00 0.00 C ATOM 447 OG SER A 30 -5.617 10.412 -2.020 1.00 0.00 O ATOM 0 H SER A 30 -1.885 10.044 -1.553 1.00 0.00 H new ATOM 0 HA SER A 30 -3.888 8.634 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.921 10.222 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.913 11.536 -2.060 1.00 0.00 H new ATOM 0 HG SER A 30 -5.877 9.482 -2.187 1.00 0.00 H new ATOM 453 N ASP A 31 -2.602 11.034 -4.762 1.00 0.00 N ATOM 454 CA ASP A 31 -2.537 11.542 -6.135 1.00 0.00 C ATOM 455 C ASP A 31 -2.241 10.443 -7.167 1.00 0.00 C ATOM 456 O ASP A 31 -2.643 10.561 -8.325 1.00 0.00 O ATOM 457 CB ASP A 31 -1.472 12.638 -6.201 1.00 0.00 C ATOM 458 CG ASP A 31 -1.397 13.327 -7.554 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.145 14.301 -7.788 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.452 13.024 -8.316 1.00 0.00 O ATOM 0 H ASP A 31 -1.903 11.446 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.517 11.943 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.680 13.383 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.500 12.204 -5.968 1.00 0.00 H new ATOM 465 N PHE A 32 -1.579 9.354 -6.763 1.00 0.00 N ATOM 466 CA PHE A 32 -1.247 8.224 -7.634 1.00 0.00 C ATOM 467 C PHE A 32 -2.111 6.986 -7.358 1.00 0.00 C ATOM 468 O PHE A 32 -2.273 6.168 -8.258 1.00 0.00 O ATOM 469 CB PHE A 32 0.241 7.856 -7.486 1.00 0.00 C ATOM 470 CG PHE A 32 1.293 8.902 -7.847 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.002 10.017 -8.657 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.609 8.738 -7.370 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.001 10.959 -8.955 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.613 9.681 -7.663 1.00 0.00 C ATOM 475 CZ PHE A 32 3.303 10.799 -8.453 1.00 0.00 C ATOM 0 H PHE A 32 -1.253 9.232 -5.804 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.454 8.546 -8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.408 7.563 -6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.426 6.975 -8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.005 10.149 -9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.852 7.874 -6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.766 11.812 -9.574 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.615 9.545 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.063 11.534 -8.674 1.00 0.00 H new ATOM 485 N ILE A 33 -2.628 6.819 -6.138 1.00 0.00 N ATOM 486 CA ILE A 33 -3.292 5.600 -5.672 1.00 0.00 C ATOM 487 C ILE A 33 -4.822 5.724 -5.699 1.00 0.00 C ATOM 488 O ILE A 33 -5.509 4.708 -5.808 1.00 0.00 O ATOM 489 CB ILE A 33 -2.717 5.245 -4.279 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.196 4.991 -4.301 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.367 4.033 -3.602 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.771 3.823 -5.187 1.00 0.00 C ATOM 0 H ILE A 33 -2.595 7.550 -5.427 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.085 4.774 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.952 6.137 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.693 5.895 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.855 4.803 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.898 3.863 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.431 4.222 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.234 3.151 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.313 3.711 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.243 2.907 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.078 4.015 -6.215 1.00 0.00 H new ATOM 504 N ASP A 34 -5.382 6.935 -5.627 1.00 0.00 N ATOM 505 CA ASP A 34 -6.804 7.155 -5.899 1.00 0.00 C ATOM 506 C ASP A 34 -7.124 6.810 -7.363 1.00 0.00 C ATOM 507 O ASP A 34 -8.063 6.043 -7.589 1.00 0.00 O ATOM 508 CB ASP A 34 -7.274 8.580 -5.563 1.00 0.00 C ATOM 509 CG ASP A 34 -7.431 8.860 -4.065 1.00 0.00 C ATOM 510 OD1 ASP A 34 -6.621 8.384 -3.232 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.360 9.617 -3.710 1.00 0.00 O ATOM 0 H ASP A 34 -4.869 7.781 -5.381 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.356 6.488 -5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.562 9.292 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.230 8.760 -6.056 1.00 0.00 H new ATOM 516 N PRO A 35 -6.406 7.342 -8.381 1.00 0.00 N ATOM 517 CA PRO A 35 -6.578 6.895 -9.758 1.00 0.00 C ATOM 518 C PRO A 35 -6.067 5.465 -9.935 1.00 0.00 C ATOM 519 O PRO A 35 -5.434 4.875 -9.058 1.00 0.00 O ATOM 520 CB PRO A 35 -5.821 7.903 -10.624 1.00 0.00 C ATOM 521 CG PRO A 35 -4.695 8.361 -9.710 1.00 0.00 C ATOM 522 CD PRO A 35 -5.336 8.334 -8.327 1.00 0.00 C ATOM 0 HA PRO A 35 -7.628 6.861 -10.049 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.439 7.445 -11.536 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.458 8.734 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.834 7.695 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.345 9.359 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.602 8.071 -7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.731 9.315 -8.064 1.00 0.00 H new ATOM 530 N GLN A 36 -6.407 4.893 -11.087 1.00 0.00 N ATOM 531 CA GLN A 36 -6.236 3.492 -11.442 1.00 0.00 C ATOM 532 C GLN A 36 -6.827 2.529 -10.402 1.00 0.00 C ATOM 533 O GLN A 36 -6.565 1.328 -10.482 1.00 0.00 O ATOM 534 CB GLN A 36 -4.761 3.226 -11.805 1.00 0.00 C ATOM 535 CG GLN A 36 -4.347 4.018 -13.061 1.00 0.00 C ATOM 536 CD GLN A 36 -3.339 5.142 -12.802 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.243 4.936 -12.276 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.652 6.352 -13.233 1.00 0.00 N ATOM 0 H GLN A 36 -6.835 5.430 -11.841 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.826 3.280 -12.333 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.121 3.505 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.612 2.160 -11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.921 3.326 -13.787 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.240 4.446 -13.515 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.559 6.520 -13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.986 7.118 -13.131 1.00 0.00 H new ATOM 547 N GLU A 37 -7.644 3.019 -9.455 1.00 0.00 N ATOM 548 CA GLU A 37 -8.120 2.301 -8.280 1.00 0.00 C ATOM 549 C GLU A 37 -6.977 1.591 -7.546 1.00 0.00 C ATOM 550 O GLU A 37 -7.163 0.516 -6.970 1.00 0.00 O ATOM 551 CB GLU A 37 -9.346 1.445 -8.666 1.00 0.00 C ATOM 552 CG GLU A 37 -10.607 2.279 -8.401 1.00 0.00 C ATOM 553 CD GLU A 37 -11.855 1.834 -9.158 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.047 0.620 -9.366 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.761 2.687 -9.328 1.00 0.00 O ATOM 0 H GLU A 37 -8.003 3.973 -9.498 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.486 2.991 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.294 1.156 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.368 0.525 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.822 2.253 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.397 3.317 -8.659 1.00 0.00 H new ATOM 562 N GLY A 38 -5.795 2.219 -7.536 1.00 0.00 N ATOM 563 CA GLY A 38 -4.605 1.751 -6.845 1.00 0.00 C ATOM 564 C GLY A 38 -4.920 1.291 -5.425 1.00 0.00 C ATOM 565 O GLY A 38 -4.497 0.205 -5.034 1.00 0.00 O ATOM 0 H GLY A 38 -5.644 3.099 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.160 0.928 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.865 2.551 -6.813 1.00 0.00 H new ATOM 569 N TRP A 39 -5.689 2.082 -4.671 1.00 0.00 N ATOM 570 CA TRP A 39 -6.065 1.771 -3.299 1.00 0.00 C ATOM 571 C TRP A 39 -6.818 0.445 -3.226 1.00 0.00 C ATOM 572 O TRP A 39 -6.543 -0.388 -2.363 1.00 0.00 O ATOM 573 CB TRP A 39 -6.936 2.887 -2.708 1.00 0.00 C ATOM 574 CG TRP A 39 -8.289 3.076 -3.324 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.580 3.797 -4.431 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.542 2.461 -2.905 1.00 0.00 C ATOM 577 NE1 TRP A 39 -9.925 3.668 -4.723 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.557 2.819 -3.837 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.898 1.571 -1.870 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.865 2.321 -3.726 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.206 1.070 -1.755 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.192 1.466 -2.663 1.00 0.00 C ATOM 0 H TRP A 39 -6.070 2.967 -5.006 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.147 1.688 -2.717 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.070 2.688 -1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.389 3.826 -2.790 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.872 4.382 -4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.392 4.141 -5.497 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.150 1.269 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.614 2.594 -4.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.450 0.377 -0.963 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.206 1.114 -2.546 1.00 0.00 H new ATOM 593 N LYS A 40 -7.775 0.245 -4.136 1.00 0.00 N ATOM 594 CA LYS A 40 -8.626 -0.930 -4.170 1.00 0.00 C ATOM 595 C LYS A 40 -7.756 -2.156 -4.381 1.00 0.00 C ATOM 596 O LYS A 40 -7.976 -3.190 -3.748 1.00 0.00 O ATOM 597 CB LYS A 40 -9.701 -0.774 -5.276 1.00 0.00 C ATOM 598 CG LYS A 40 -11.069 -1.108 -4.675 1.00 0.00 C ATOM 599 CD LYS A 40 -12.307 -0.998 -5.571 1.00 0.00 C ATOM 600 CE LYS A 40 -12.453 0.283 -6.375 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.735 0.341 -7.114 1.00 0.00 N ATOM 0 H LYS A 40 -7.978 0.912 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.157 -1.047 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.697 0.244 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.483 -1.438 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.024 -2.129 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.222 -0.455 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.300 -1.838 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.192 -1.110 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.384 1.140 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.626 0.363 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.811 1.254 -7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.770 -0.431 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.526 0.241 -6.446 1.00 0.00 H new ATOM 615 N LYS A 41 -6.752 -2.029 -5.248 1.00 0.00 N ATOM 616 CA LYS A 41 -5.886 -3.150 -5.595 1.00 0.00 C ATOM 617 C LYS A 41 -4.934 -3.425 -4.438 1.00 0.00 C ATOM 618 O LYS A 41 -4.779 -4.580 -4.060 1.00 0.00 O ATOM 619 CB LYS A 41 -5.138 -2.916 -6.909 1.00 0.00 C ATOM 620 CG LYS A 41 -6.064 -2.617 -8.098 1.00 0.00 C ATOM 621 CD LYS A 41 -5.612 -1.386 -8.888 1.00 0.00 C ATOM 622 CE LYS A 41 -4.709 -1.717 -10.082 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.144 -0.959 -11.269 1.00 0.00 N ATOM 0 H LYS A 41 -6.520 -1.157 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.505 -4.032 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.445 -2.084 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.539 -3.797 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.092 -3.482 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.080 -2.461 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.492 -0.852 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.080 -0.710 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.674 -1.473 -9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.745 -2.786 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.333 -0.811 -11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.883 -1.493 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.524 -0.037 -10.972 1.00 0.00 H new ATOM 637 N LEU A 42 -4.331 -2.393 -3.838 1.00 0.00 N ATOM 638 CA LEU A 42 -3.483 -2.494 -2.661 1.00 0.00 C ATOM 639 C LEU A 42 -4.216 -3.250 -1.561 1.00 0.00 C ATOM 640 O LEU A 42 -3.710 -4.251 -1.065 1.00 0.00 O ATOM 641 CB LEU A 42 -3.093 -1.065 -2.251 1.00 0.00 C ATOM 642 CG LEU A 42 -1.996 -0.874 -1.188 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.587 -0.348 0.115 1.00 0.00 C ATOM 644 CD2 LEU A 42 -1.084 -2.061 -0.874 1.00 0.00 C ATOM 0 H LEU A 42 -4.428 -1.435 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.573 -3.058 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.776 -0.538 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.993 -0.567 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.339 -0.150 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.792 -0.221 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.070 0.612 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.322 -1.058 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.364 -1.774 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.685 -2.896 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.553 -2.360 -1.777 1.00 0.00 H new ATOM 656 N ALA A 43 -5.435 -2.825 -1.233 1.00 0.00 N ATOM 657 CA ALA A 43 -6.267 -3.455 -0.225 1.00 0.00 C ATOM 658 C ALA A 43 -6.385 -4.965 -0.446 1.00 0.00 C ATOM 659 O ALA A 43 -6.087 -5.738 0.461 1.00 0.00 O ATOM 660 CB ALA A 43 -7.636 -2.786 -0.233 1.00 0.00 C ATOM 0 H ALA A 43 -5.875 -2.017 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.802 -3.324 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.272 -3.250 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.524 -1.725 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.093 -2.904 -1.216 1.00 0.00 H new ATOM 666 N VAL A 44 -6.823 -5.414 -1.621 1.00 0.00 N ATOM 667 CA VAL A 44 -7.016 -6.835 -1.859 1.00 0.00 C ATOM 668 C VAL A 44 -5.675 -7.569 -2.016 1.00 0.00 C ATOM 669 O VAL A 44 -5.586 -8.763 -1.723 1.00 0.00 O ATOM 670 CB VAL A 44 -7.974 -7.020 -3.046 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.312 -6.312 -2.774 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.424 -6.545 -4.397 1.00 0.00 C ATOM 0 H VAL A 44 -7.048 -4.815 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.483 -7.299 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.110 -8.098 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.978 -6.453 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.771 -6.733 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.136 -5.247 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.170 -6.716 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.194 -5.481 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.517 -7.100 -4.636 1.00 0.00 H new ATOM 682 N ALA A 45 -4.609 -6.873 -2.428 1.00 0.00 N ATOM 683 CA ALA A 45 -3.268 -7.433 -2.499 1.00 0.00 C ATOM 684 C ALA A 45 -2.708 -7.670 -1.096 1.00 0.00 C ATOM 685 O ALA A 45 -1.838 -8.523 -0.929 1.00 0.00 O ATOM 686 CB ALA A 45 -2.343 -6.507 -3.300 1.00 0.00 C ATOM 0 H ALA A 45 -4.661 -5.898 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.323 -8.394 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.344 -6.940 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.732 -6.390 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.295 -5.532 -2.815 1.00 0.00 H new ATOM 692 N ILE A 46 -3.171 -6.941 -0.078 1.00 0.00 N ATOM 693 CA ILE A 46 -2.787 -7.158 1.309 1.00 0.00 C ATOM 694 C ILE A 46 -3.470 -8.442 1.770 1.00 0.00 C ATOM 695 O ILE A 46 -4.672 -8.474 2.057 1.00 0.00 O ATOM 696 CB ILE A 46 -3.118 -5.930 2.180 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.208 -4.751 1.773 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.878 -6.235 3.666 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.788 -3.383 2.139 1.00 0.00 C ATOM 0 H ILE A 46 -3.832 -6.174 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.708 -7.279 1.409 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.167 -5.677 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.237 -4.867 2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.036 -4.789 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.118 -5.354 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.513 -7.066 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.832 -6.502 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.098 -2.600 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.745 -3.247 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.934 -3.327 3.218 1.00 0.00 H new ATOM 711 N LYS A 47 -2.697 -9.524 1.835 1.00 0.00 N ATOM 712 CA LYS A 47 -3.140 -10.731 2.512 1.00 0.00 C ATOM 713 C LYS A 47 -2.837 -10.567 3.999 1.00 0.00 C ATOM 714 O LYS A 47 -1.918 -9.842 4.388 1.00 0.00 O ATOM 715 CB LYS A 47 -2.484 -11.981 1.898 1.00 0.00 C ATOM 716 CG LYS A 47 -3.328 -12.593 0.764 1.00 0.00 C ATOM 717 CD LYS A 47 -3.611 -11.708 -0.461 1.00 0.00 C ATOM 718 CE LYS A 47 -2.511 -11.775 -1.523 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.235 -11.183 -1.082 1.00 0.00 N ATOM 0 H LYS A 47 -1.764 -9.585 1.427 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.213 -10.877 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.499 -11.718 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.332 -12.728 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.825 -13.496 0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.285 -12.902 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.558 -12.011 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.729 -10.675 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.344 -12.817 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.851 -11.259 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.608 -11.059 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.415 -10.258 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.780 -11.813 -0.391 1.00 0.00 H new ATOM 733 N LYS A 48 -3.629 -11.230 4.834 1.00 0.00 N ATOM 734 CA LYS A 48 -3.324 -11.483 6.233 1.00 0.00 C ATOM 735 C LYS A 48 -2.107 -12.403 6.282 1.00 0.00 C ATOM 736 O LYS A 48 -1.855 -13.119 5.310 1.00 0.00 O ATOM 737 CB LYS A 48 -4.522 -12.157 6.923 1.00 0.00 C ATOM 738 CG LYS A 48 -5.723 -11.216 7.011 1.00 0.00 C ATOM 739 CD LYS A 48 -6.905 -11.840 7.763 1.00 0.00 C ATOM 740 CE LYS A 48 -8.168 -10.999 7.541 1.00 0.00 C ATOM 741 NZ LYS A 48 -9.348 -11.588 8.199 1.00 0.00 N ATOM 0 H LYS A 48 -4.527 -11.617 4.545 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.117 -10.547 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.802 -13.055 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.234 -12.475 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.423 -10.296 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.040 -10.942 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.071 -12.860 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.679 -11.899 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.005 -9.992 7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.358 -10.906 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.179 -10.988 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.521 -12.539 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.178 -11.653 9.223 1.00 0.00 H new ATOM 755 N PRO A 49 -1.409 -12.499 7.421 1.00 0.00 N ATOM 756 CA PRO A 49 -0.209 -13.316 7.540 1.00 0.00 C ATOM 757 C PRO A 49 -0.452 -14.820 7.335 1.00 0.00 C ATOM 758 O PRO A 49 0.507 -15.563 7.116 1.00 0.00 O ATOM 759 CB PRO A 49 0.370 -12.995 8.922 1.00 0.00 C ATOM 760 CG PRO A 49 -0.266 -11.652 9.286 1.00 0.00 C ATOM 761 CD PRO A 49 -1.643 -11.762 8.648 1.00 0.00 C ATOM 0 HA PRO A 49 0.493 -13.074 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.118 -13.766 9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.458 -12.927 8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.328 -11.510 10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.301 -10.812 8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.343 -12.285 9.299 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.068 -10.779 8.447 1.00 0.00 H new ATOM 769 N SER A 50 -1.708 -15.273 7.369 1.00 0.00 N ATOM 770 CA SER A 50 -2.127 -16.640 7.069 1.00 0.00 C ATOM 771 C SER A 50 -2.483 -16.892 5.594 1.00 0.00 C ATOM 772 O SER A 50 -2.712 -18.047 5.235 1.00 0.00 O ATOM 773 CB SER A 50 -3.328 -16.952 7.961 1.00 0.00 C ATOM 774 OG SER A 50 -2.886 -17.010 9.301 1.00 0.00 O ATOM 0 H SER A 50 -2.492 -14.670 7.617 1.00 0.00 H new ATOM 0 HA SER A 50 -1.280 -17.298 7.266 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.094 -16.185 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.780 -17.900 7.670 1.00 0.00 H new ATOM 0 HG SER A 50 -3.646 -17.208 9.888 1.00 0.00 H new ATOM 780 N GLY A 51 -2.535 -15.857 4.748 1.00 0.00 N ATOM 781 CA GLY A 51 -2.808 -15.983 3.318 1.00 0.00 C ATOM 782 C GLY A 51 -4.244 -15.628 2.919 1.00 0.00 C ATOM 783 O GLY A 51 -4.538 -15.583 1.723 1.00 0.00 O ATOM 0 H GLY A 51 -2.386 -14.893 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.121 -15.338 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.599 -17.007 3.009 1.00 0.00 H new ATOM 787 N ASP A 52 -5.129 -15.346 3.881 1.00 0.00 N ATOM 788 CA ASP A 52 -6.475 -14.818 3.620 1.00 0.00 C ATOM 789 C ASP A 52 -6.372 -13.398 3.070 1.00 0.00 C ATOM 790 O ASP A 52 -5.436 -12.695 3.436 1.00 0.00 O ATOM 791 CB ASP A 52 -7.305 -14.759 4.916 1.00 0.00 C ATOM 792 CG ASP A 52 -8.089 -16.037 5.212 1.00 0.00 C ATOM 793 OD1 ASP A 52 -7.780 -17.110 4.651 1.00 0.00 O ATOM 794 OD2 ASP A 52 -9.030 -15.958 6.026 1.00 0.00 O ATOM 0 H ASP A 52 -4.930 -15.479 4.873 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.959 -15.481 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.638 -14.552 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.003 -13.924 4.851 1.00 0.00 H new ATOM 799 N ASP A 53 -7.341 -12.908 2.290 1.00 0.00 N ATOM 800 CA ASP A 53 -7.431 -11.472 1.988 1.00 0.00 C ATOM 801 C ASP A 53 -7.608 -10.728 3.315 1.00 0.00 C ATOM 802 O ASP A 53 -8.442 -11.132 4.135 1.00 0.00 O ATOM 803 CB ASP A 53 -8.651 -11.096 1.129 1.00 0.00 C ATOM 804 CG ASP A 53 -8.765 -11.740 -0.247 1.00 0.00 C ATOM 805 OD1 ASP A 53 -9.325 -12.860 -0.331 1.00 0.00 O ATOM 806 OD2 ASP A 53 -8.469 -11.075 -1.265 1.00 0.00 O ATOM 0 H ASP A 53 -8.069 -13.477 1.859 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.526 -11.209 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.550 -11.345 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.648 -10.014 0.995 1.00 0.00 H new ATOM 811 N ARG A 54 -6.893 -9.621 3.550 1.00 0.00 N ATOM 812 CA ARG A 54 -7.233 -8.745 4.671 1.00 0.00 C ATOM 813 C ARG A 54 -8.589 -8.094 4.416 1.00 0.00 C ATOM 814 O ARG A 54 -9.539 -8.345 5.164 1.00 0.00 O ATOM 815 CB ARG A 54 -6.108 -7.741 4.987 1.00 0.00 C ATOM 816 CG ARG A 54 -6.520 -6.835 6.155 1.00 0.00 C ATOM 817 CD ARG A 54 -5.323 -6.227 6.886 1.00 0.00 C ATOM 818 NE ARG A 54 -4.920 -7.054 8.041 1.00 0.00 N ATOM 819 CZ ARG A 54 -5.199 -6.806 9.329 1.00 0.00 C ATOM 820 NH1 ARG A 54 -5.950 -5.768 9.669 1.00 0.00 N ATOM 821 NH2 ARG A 54 -4.710 -7.580 10.286 1.00 0.00 N ATOM 0 H ARG A 54 -6.095 -9.318 2.992 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.325 -9.342 5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.192 -8.277 5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.892 -7.136 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.156 -6.033 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.117 -7.411 6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.485 -6.130 6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.574 -5.222 7.226 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.378 -7.894 7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.321 -5.149 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.156 -5.588 10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.115 -8.373 10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.928 -7.383 11.263 1.00 0.00 H new ATOM 835 N TYR A 55 -8.705 -7.253 3.395 1.00 0.00 N ATOM 836 CA TYR A 55 -9.928 -6.512 3.105 1.00 0.00 C ATOM 837 C TYR A 55 -10.629 -7.222 1.942 1.00 0.00 C ATOM 838 O TYR A 55 -9.982 -7.586 0.965 1.00 0.00 O ATOM 839 CB TYR A 55 -9.572 -5.060 2.740 1.00 0.00 C ATOM 840 CG TYR A 55 -8.590 -4.376 3.683 1.00 0.00 C ATOM 841 CD1 TYR A 55 -9.021 -3.760 4.876 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.219 -4.375 3.367 1.00 0.00 C ATOM 843 CE1 TYR A 55 -8.082 -3.160 5.740 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.279 -3.777 4.219 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.704 -3.175 5.419 1.00 0.00 C ATOM 846 OH TYR A 55 -5.768 -2.673 6.267 1.00 0.00 O ATOM 0 H TYR A 55 -7.947 -7.064 2.739 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.591 -6.482 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.153 -5.047 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.491 -4.474 2.710 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.071 -3.748 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.885 -4.843 2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.416 -2.687 6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.232 -3.778 3.955 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.878 -2.775 5.870 1.00 0.00 H new ATOM 856 N ASN A 56 -11.947 -7.403 2.032 1.00 0.00 N ATOM 857 CA ASN A 56 -12.806 -7.883 0.944 1.00 0.00 C ATOM 858 C ASN A 56 -13.846 -6.795 0.643 1.00 0.00 C ATOM 859 O ASN A 56 -13.860 -5.763 1.326 1.00 0.00 O ATOM 860 CB ASN A 56 -13.502 -9.198 1.330 1.00 0.00 C ATOM 861 CG ASN A 56 -12.722 -10.462 0.993 1.00 0.00 C ATOM 862 OD1 ASN A 56 -12.726 -10.897 -0.154 1.00 0.00 O ATOM 863 ND2 ASN A 56 -12.125 -11.109 1.976 1.00 0.00 N ATOM 0 H ASN A 56 -12.464 -7.214 2.890 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.201 -8.083 0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.700 -9.186 2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.469 -9.241 0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.652 -11.993 1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.137 -10.725 2.921 1.00 0.00 H new ATOM 870 N GLN A 57 -14.762 -7.030 -0.313 1.00 0.00 N ATOM 871 CA GLN A 57 -15.726 -6.033 -0.790 1.00 0.00 C ATOM 872 C GLN A 57 -16.499 -5.314 0.324 1.00 0.00 C ATOM 873 O GLN A 57 -16.838 -4.134 0.194 1.00 0.00 O ATOM 874 CB GLN A 57 -16.729 -6.610 -1.799 1.00 0.00 C ATOM 875 CG GLN A 57 -16.109 -6.928 -3.163 1.00 0.00 C ATOM 876 CD GLN A 57 -17.083 -6.602 -4.300 1.00 0.00 C ATOM 877 OE1 GLN A 57 -17.203 -5.450 -4.714 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.808 -7.574 -4.819 1.00 0.00 N ATOM 0 H GLN A 57 -14.851 -7.932 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.097 -5.294 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.165 -7.520 -1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.544 -5.899 -1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.191 -6.355 -3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.836 -7.982 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.705 -8.528 -4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.472 -7.372 -5.567 1.00 0.00 H new ATOM 887 N PHE A 58 -16.770 -6.015 1.425 1.00 0.00 N ATOM 888 CA PHE A 58 -17.372 -5.458 2.632 1.00 0.00 C ATOM 889 C PHE A 58 -16.654 -4.178 3.083 1.00 0.00 C ATOM 890 O PHE A 58 -17.284 -3.128 3.222 1.00 0.00 O ATOM 891 CB PHE A 58 -17.383 -6.522 3.735 1.00 0.00 C ATOM 892 CG PHE A 58 -18.201 -6.116 4.940 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.604 -6.175 4.869 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.577 -5.669 6.120 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.383 -5.818 5.981 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.358 -5.298 7.228 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.760 -5.380 7.159 1.00 0.00 C ATOM 0 H PHE A 58 -16.571 -7.012 1.502 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.401 -5.173 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.780 -7.453 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.359 -6.722 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.084 -6.496 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.500 -5.611 6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.460 -5.880 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.881 -4.950 8.132 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.359 -5.105 8.015 1.00 0.00 H new ATOM 907 N HIS A 59 -15.336 -4.247 3.280 1.00 0.00 N ATOM 908 CA HIS A 59 -14.529 -3.116 3.707 1.00 0.00 C ATOM 909 C HIS A 59 -14.303 -2.162 2.543 1.00 0.00 C ATOM 910 O HIS A 59 -14.307 -0.955 2.743 1.00 0.00 O ATOM 911 CB HIS A 59 -13.183 -3.607 4.242 1.00 0.00 C ATOM 912 CG HIS A 59 -13.297 -4.359 5.542 1.00 0.00 C ATOM 913 ND1 HIS A 59 -13.239 -5.722 5.709 1.00 0.00 N ATOM 914 CD2 HIS A 59 -13.440 -3.797 6.782 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.296 -5.972 7.024 1.00 0.00 C ATOM 916 NE2 HIS A 59 -13.435 -4.833 7.725 1.00 0.00 N ATOM 0 H HIS A 59 -14.798 -5.103 3.144 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.059 -2.588 4.500 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.717 -4.252 3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.522 -2.752 4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.539 -2.743 6.995 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.238 -6.957 7.463 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.520 -4.742 8.737 1.00 0.00 H new ATOM 924 N ILE A 60 -14.138 -2.673 1.321 1.00 0.00 N ATOM 925 CA ILE A 60 -13.906 -1.843 0.147 1.00 0.00 C ATOM 926 C ILE A 60 -14.996 -0.786 0.026 1.00 0.00 C ATOM 927 O ILE A 60 -14.666 0.390 -0.036 1.00 0.00 O ATOM 928 CB ILE A 60 -13.763 -2.735 -1.096 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.472 -3.584 -1.043 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.850 -1.979 -2.422 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.172 -2.773 -0.954 1.00 0.00 C ATOM 0 H ILE A 60 -14.162 -3.673 1.122 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.969 -1.296 0.246 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.627 -3.398 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.527 -4.251 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.431 -4.213 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.740 -2.681 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.817 -1.482 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.055 -1.235 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.321 -3.453 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.087 -2.126 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.184 -2.164 -0.050 1.00 0.00 H new ATOM 943 N ARG A 61 -16.279 -1.151 0.057 1.00 0.00 N ATOM 944 CA ARG A 61 -17.366 -0.178 -0.007 1.00 0.00 C ATOM 945 C ARG A 61 -17.321 0.833 1.142 1.00 0.00 C ATOM 946 O ARG A 61 -17.627 2.010 0.947 1.00 0.00 O ATOM 947 CB ARG A 61 -18.680 -0.949 -0.007 1.00 0.00 C ATOM 948 CG ARG A 61 -18.905 -1.707 -1.319 1.00 0.00 C ATOM 949 CD ARG A 61 -19.895 -0.968 -2.204 1.00 0.00 C ATOM 950 NE ARG A 61 -20.270 -1.816 -3.341 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.236 -1.600 -4.234 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.878 -0.439 -4.294 1.00 0.00 N ATOM 953 NH2 ARG A 61 -21.558 -2.582 -5.064 1.00 0.00 N ATOM 0 H ARG A 61 -16.590 -2.120 0.126 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.264 0.410 -0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.686 -1.654 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.506 -0.257 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.957 -1.824 -1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.277 -2.709 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.782 -0.700 -1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.454 -0.038 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.728 -2.671 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.635 0.312 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.614 -0.298 -4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.070 -3.476 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.294 -2.443 -5.757 1.00 0.00 H new ATOM 967 N ARG A 62 -16.940 0.403 2.345 1.00 0.00 N ATOM 968 CA ARG A 62 -16.715 1.270 3.496 1.00 0.00 C ATOM 969 C ARG A 62 -15.670 2.350 3.189 1.00 0.00 C ATOM 970 O ARG A 62 -15.866 3.497 3.592 1.00 0.00 O ATOM 971 CB ARG A 62 -16.342 0.386 4.689 1.00 0.00 C ATOM 972 CG ARG A 62 -16.623 1.043 6.039 1.00 0.00 C ATOM 973 CD ARG A 62 -16.837 -0.073 7.065 1.00 0.00 C ATOM 974 NE ARG A 62 -16.184 0.159 8.363 1.00 0.00 N ATOM 975 CZ ARG A 62 -16.099 -0.778 9.321 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.740 -1.936 9.182 1.00 0.00 N ATOM 977 NH2 ARG A 62 -15.380 -0.565 10.413 1.00 0.00 N ATOM 0 H ARG A 62 -16.776 -0.583 2.548 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.622 1.821 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.897 -0.550 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.283 0.134 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.789 1.680 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.505 1.680 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.907 -0.199 7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.466 -1.009 6.648 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.776 1.076 8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.297 -2.113 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.674 -2.646 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.884 0.318 10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.323 -1.284 11.134 1.00 0.00 H new ATOM 991 N PHE A 63 -14.607 2.015 2.447 1.00 0.00 N ATOM 992 CA PHE A 63 -13.658 2.986 1.910 1.00 0.00 C ATOM 993 C PHE A 63 -14.233 3.733 0.706 1.00 0.00 C ATOM 994 O PHE A 63 -13.932 4.912 0.584 1.00 0.00 O ATOM 995 CB PHE A 63 -12.338 2.298 1.515 1.00 0.00 C ATOM 996 CG PHE A 63 -11.486 1.781 2.662 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.701 2.672 3.418 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.400 0.401 2.922 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.829 2.183 4.405 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.497 -0.092 3.882 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.696 0.801 4.614 1.00 0.00 C ATOM 0 H PHE A 63 -14.383 1.050 2.203 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.461 3.713 2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.571 1.462 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.743 3.004 0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.769 3.735 3.239 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -12.033 -0.286 2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.258 2.874 5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.420 -1.155 4.056 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.982 0.426 5.333 1.00 0.00 H new ATOM 1011 N GLU A 64 -14.987 3.129 -0.221 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.549 3.845 -1.377 1.00 0.00 C ATOM 1013 C GLU A 64 -16.381 5.019 -0.886 1.00 0.00 C ATOM 1014 O GLU A 64 -16.250 6.118 -1.406 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.388 2.951 -2.301 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.549 1.912 -3.040 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.267 1.145 -4.146 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.428 0.716 -3.961 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -15.652 0.907 -5.211 1.00 0.00 O ATOM 0 H GLU A 64 -15.224 2.137 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.708 4.196 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.151 2.443 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.909 3.575 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.684 2.413 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.170 1.194 -2.313 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.154 4.836 0.183 1.00 0.00 N ATOM 1027 CA ALA A 65 -17.956 5.894 0.778 1.00 0.00 C ATOM 1028 C ALA A 65 -17.158 7.170 1.105 1.00 0.00 C ATOM 1029 O ALA A 65 -17.750 8.249 1.179 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.625 5.331 2.030 1.00 0.00 C ATOM 0 H ALA A 65 -17.239 3.940 0.662 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.699 6.209 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.234 6.105 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.258 4.487 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.861 4.998 2.732 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.835 7.057 1.271 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.888 8.155 1.406 1.00 0.00 C ATOM 1038 C LEU A 66 -14.711 8.844 0.046 1.00 0.00 C ATOM 1039 O LEU A 66 -15.056 10.018 -0.096 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.540 7.632 1.950 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.643 6.763 3.214 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.266 6.160 3.499 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.120 7.566 4.429 1.00 0.00 C ATOM 0 H LEU A 66 -15.378 6.146 1.316 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.271 8.886 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.050 7.052 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.897 8.485 2.165 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.381 5.981 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.319 5.539 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.954 5.550 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.543 6.961 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.178 6.911 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.417 8.374 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.105 7.985 4.224 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.208 8.122 -0.967 1.00 0.00 N ATOM 1056 CA LEU A 67 -13.884 8.654 -2.295 1.00 0.00 C ATOM 1057 C LEU A 67 -15.094 9.234 -3.016 1.00 0.00 C ATOM 1058 O LEU A 67 -14.931 10.053 -3.921 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.182 7.575 -3.146 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.019 6.564 -3.962 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.730 7.110 -5.208 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.120 5.443 -4.481 1.00 0.00 C ATOM 0 H LEU A 67 -14.011 7.125 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.198 9.488 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.526 8.092 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.543 7.000 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.781 6.248 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.283 6.306 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.421 7.900 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.991 7.512 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.717 4.734 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.344 5.865 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.657 4.929 -3.639 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.290 8.783 -2.642 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.563 9.207 -3.197 1.00 0.00 C ATOM 1076 C GLN A 68 -17.753 10.688 -2.879 1.00 0.00 C ATOM 1077 O GLN A 68 -17.805 11.510 -3.790 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.669 8.305 -2.620 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.517 6.856 -3.116 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.318 6.560 -4.370 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -18.859 6.789 -5.486 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -20.516 6.029 -4.226 1.00 0.00 N ATOM 0 H GLN A 68 -16.397 8.080 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.601 9.103 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.628 8.326 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.646 8.691 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.464 6.656 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.830 6.175 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.883 5.845 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.076 5.802 -5.048 1.00 0.00 H new ATOM 1091 N THR A 69 -17.779 11.039 -1.592 1.00 0.00 N ATOM 1092 CA THR A 69 -17.898 12.427 -1.174 1.00 0.00 C ATOM 1093 C THR A 69 -16.603 13.204 -1.459 1.00 0.00 C ATOM 1094 O THR A 69 -16.690 14.410 -1.677 1.00 0.00 O ATOM 1095 CB THR A 69 -18.342 12.482 0.300 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.651 13.805 0.713 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.315 11.853 1.249 1.00 0.00 C ATOM 0 H THR A 69 -17.719 10.373 -0.822 1.00 0.00 H new ATOM 0 HA THR A 69 -18.669 12.927 -1.760 1.00 0.00 H new ATOM 0 HB THR A 69 -19.252 11.885 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.930 13.798 1.653 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.679 11.919 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.167 10.806 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.368 12.386 1.165 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.429 12.556 -1.477 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.152 13.185 -1.812 1.00 0.00 C ATOM 1107 C GLY A 70 -13.033 12.963 -0.795 1.00 0.00 C ATOM 1108 O GLY A 70 -11.926 13.472 -0.998 1.00 0.00 O ATOM 0 H GLY A 70 -15.344 11.564 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.822 12.808 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.312 14.257 -1.925 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.283 12.260 0.312 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.250 11.938 1.292 1.00 0.00 C ATOM 1114 C LYS A 71 -11.315 10.905 0.679 1.00 0.00 C ATOM 1115 O LYS A 71 -11.792 9.906 0.146 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.904 11.412 2.578 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.404 12.589 3.425 1.00 0.00 C ATOM 1118 CD LYS A 71 -14.110 12.188 4.722 1.00 0.00 C ATOM 1119 CE LYS A 71 -13.234 11.283 5.596 1.00 0.00 C ATOM 1120 NZ LYS A 71 -13.757 11.167 6.972 1.00 0.00 N ATOM 0 H LYS A 71 -14.207 11.900 0.552 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.674 12.826 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.735 10.751 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.186 10.822 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.556 13.228 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.089 13.187 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.377 13.084 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.040 11.672 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.175 10.292 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.219 11.680 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.135 10.547 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.790 12.109 7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.715 10.764 6.946 1.00 0.00 H new ATOM 1134 N SER A 72 -10.000 11.111 0.775 1.00 0.00 N ATOM 1135 CA SER A 72 -9.023 10.168 0.255 1.00 0.00 C ATOM 1136 C SER A 72 -9.194 8.814 0.932 1.00 0.00 C ATOM 1137 O SER A 72 -8.974 8.729 2.150 1.00 0.00 O ATOM 1138 CB SER A 72 -7.608 10.664 0.550 1.00 0.00 C ATOM 1139 OG SER A 72 -7.252 11.704 -0.317 1.00 0.00 O ATOM 0 H SER A 72 -9.589 11.935 1.215 1.00 0.00 H new ATOM 0 HA SER A 72 -9.176 10.077 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.547 11.009 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.901 9.841 0.447 1.00 0.00 H new ATOM 0 HG SER A 72 -6.747 11.340 -1.074 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.497 7.750 0.174 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.415 6.407 0.696 1.00 0.00 C ATOM 1147 C PRO A 73 -7.969 5.960 0.825 1.00 0.00 C ATOM 1148 O PRO A 73 -7.696 5.202 1.745 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.148 5.554 -0.315 1.00 0.00 C ATOM 1150 CG PRO A 73 -9.831 6.248 -1.643 1.00 0.00 C ATOM 1151 CD PRO A 73 -9.800 7.719 -1.255 1.00 0.00 C ATOM 0 HA PRO A 73 -9.848 6.331 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.796 4.523 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.220 5.527 -0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.877 5.918 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.591 6.044 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.044 8.258 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.757 8.198 -1.462 1.00 0.00 H new ATOM 1159 N THR A 74 -7.050 6.430 -0.031 1.00 0.00 N ATOM 1160 CA THR A 74 -5.653 6.032 0.033 1.00 0.00 C ATOM 1161 C THR A 74 -5.119 6.312 1.430 1.00 0.00 C ATOM 1162 O THR A 74 -4.530 5.432 2.049 1.00 0.00 O ATOM 1163 CB THR A 74 -4.845 6.790 -1.028 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.291 6.398 -2.302 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.340 6.522 -0.895 1.00 0.00 C ATOM 0 H THR A 74 -7.261 7.091 -0.778 1.00 0.00 H new ATOM 0 HA THR A 74 -5.560 4.965 -0.171 1.00 0.00 H new ATOM 0 HB THR A 74 -4.999 7.859 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.028 6.979 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.802 7.077 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.999 6.843 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.148 5.456 -1.016 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.331 7.543 1.902 1.00 0.00 N ATOM 1174 CA CYS A 75 -4.857 8.014 3.186 1.00 0.00 C ATOM 1175 C CYS A 75 -5.424 7.128 4.296 1.00 0.00 C ATOM 1176 O CYS A 75 -4.642 6.624 5.095 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.242 9.503 3.306 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.436 10.308 4.715 1.00 0.00 S ATOM 0 H CYS A 75 -5.851 8.250 1.382 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.773 7.945 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.968 10.022 2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.324 9.589 3.410 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.794 11.557 4.765 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.743 6.900 4.328 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.356 6.082 5.370 1.00 0.00 C ATOM 1186 C GLU A 76 -6.872 4.643 5.322 1.00 0.00 C ATOM 1187 O GLU A 76 -6.520 4.093 6.356 1.00 0.00 O ATOM 1188 CB GLU A 76 -8.892 6.103 5.268 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.503 7.203 6.134 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.138 7.027 7.616 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -9.659 6.105 8.287 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -8.281 7.799 8.099 1.00 0.00 O ATOM 0 H GLU A 76 -7.401 7.272 3.643 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.052 6.519 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.185 6.253 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.290 5.136 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.155 8.176 5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.587 7.194 6.023 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.874 4.026 4.146 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.458 2.643 3.945 1.00 0.00 C ATOM 1201 C LEU A 77 -5.014 2.448 4.399 1.00 0.00 C ATOM 1202 O LEU A 77 -4.719 1.502 5.133 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.652 2.272 2.467 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.976 0.953 2.076 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.481 -0.303 2.791 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -6.031 0.759 0.574 1.00 0.00 C ATOM 0 H LEU A 77 -7.172 4.485 3.285 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.073 1.977 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.719 2.202 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.255 3.074 1.844 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.947 1.065 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.929 -1.172 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.331 -0.195 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.543 -0.437 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.547 -0.182 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.071 0.736 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.515 1.583 0.082 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.102 3.311 3.945 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.710 3.255 4.330 1.00 0.00 C ATOM 1220 C LEU A 78 -2.600 3.412 5.852 1.00 0.00 C ATOM 1221 O LEU A 78 -1.867 2.675 6.505 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.913 4.389 3.647 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.528 4.165 2.173 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.539 5.237 1.713 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.972 2.772 1.862 1.00 0.00 C ATOM 0 H LEU A 78 -4.320 4.068 3.297 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.298 2.295 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.500 5.305 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.999 4.555 4.217 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.462 4.242 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.276 5.066 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.996 6.221 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.361 5.189 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.729 2.706 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.072 2.599 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.719 2.018 2.110 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.307 4.392 6.425 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.237 4.722 7.844 1.00 0.00 C ATOM 1239 C PHE A 79 -3.872 3.634 8.716 1.00 0.00 C ATOM 1240 O PHE A 79 -3.440 3.434 9.853 1.00 0.00 O ATOM 1241 CB PHE A 79 -3.918 6.077 8.074 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.670 6.680 9.439 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.438 7.305 9.712 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -4.665 6.631 10.433 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.209 7.887 10.970 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -4.437 7.225 11.687 1.00 0.00 C ATOM 1247 CZ PHE A 79 -3.211 7.859 11.952 1.00 0.00 C ATOM 0 H PHE A 79 -3.953 4.985 5.904 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.189 4.783 8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.572 6.777 7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.992 5.958 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.669 7.337 8.954 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.604 6.137 10.233 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.260 8.357 11.182 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.204 7.194 12.447 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.040 8.325 12.911 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.886 2.934 8.215 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.522 1.796 8.870 1.00 0.00 C ATOM 1259 C ASP A 80 -4.525 0.658 8.927 1.00 0.00 C ATOM 1260 O ASP A 80 -4.215 0.129 9.988 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.792 1.361 8.123 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.612 0.430 9.007 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -8.243 0.964 9.947 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -7.646 -0.799 8.769 1.00 0.00 O ATOM 0 H ASP A 80 -5.302 3.152 7.309 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.823 2.082 9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.384 2.235 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.525 0.856 7.195 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.945 0.336 7.776 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.920 -0.677 7.633 1.00 0.00 C ATOM 1271 C TRP A 81 -1.655 -0.314 8.434 1.00 0.00 C ATOM 1272 O TRP A 81 -0.951 -1.191 8.911 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.711 -0.838 6.128 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.876 -1.976 5.640 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.993 -3.273 6.002 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.842 -1.943 4.620 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.050 -4.031 5.335 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.312 -3.258 4.465 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.321 -0.924 3.799 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.750 -3.535 3.598 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.723 -1.202 2.903 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.278 -2.492 2.825 1.00 0.00 C ATOM 0 H TRP A 81 -4.186 0.789 6.894 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.210 -1.638 8.057 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.694 -0.926 5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.264 0.084 5.755 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.715 -3.659 6.707 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.917 -5.033 5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.726 0.075 3.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.155 -4.533 3.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.104 -0.417 2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.114 -2.679 2.167 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.413 0.960 8.737 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.391 1.401 9.685 1.00 0.00 C ATOM 1295 C GLY A 82 -0.529 0.772 11.079 1.00 0.00 C ATOM 1296 O GLY A 82 0.459 0.695 11.819 1.00 0.00 O ATOM 0 H GLY A 82 -1.934 1.732 8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.593 1.160 9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.439 2.486 9.779 1.00 0.00 H new ATOM 1300 N THR A 83 -1.718 0.296 11.452 1.00 0.00 N ATOM 1301 CA THR A 83 -1.938 -0.426 12.696 1.00 0.00 C ATOM 1302 C THR A 83 -1.477 -1.889 12.551 1.00 0.00 C ATOM 1303 O THR A 83 -1.013 -2.481 13.524 1.00 0.00 O ATOM 1304 CB THR A 83 -3.416 -0.233 13.102 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.531 0.033 14.485 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.358 -1.385 12.748 1.00 0.00 C ATOM 0 H THR A 83 -2.562 0.405 10.889 1.00 0.00 H new ATOM 0 HA THR A 83 -1.334 -0.034 13.515 1.00 0.00 H new ATOM 0 HB THR A 83 -3.737 0.619 12.503 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.475 0.153 14.718 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.368 -1.143 13.078 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.356 -1.538 11.669 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.022 -2.295 13.244 1.00 0.00 H new ATOM 1314 N THR A 84 -1.528 -2.458 11.345 1.00 0.00 N ATOM 1315 CA THR A 84 -1.443 -3.864 10.974 1.00 0.00 C ATOM 1316 C THR A 84 -0.001 -4.413 10.902 1.00 0.00 C ATOM 1317 O THR A 84 0.204 -5.544 10.467 1.00 0.00 O ATOM 1318 CB THR A 84 -2.262 -3.958 9.665 1.00 0.00 C ATOM 1319 OG1 THR A 84 -3.592 -3.569 9.973 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.295 -5.305 8.969 1.00 0.00 C ATOM 0 H THR A 84 -1.643 -1.876 10.515 1.00 0.00 H new ATOM 0 HA THR A 84 -1.857 -4.522 11.738 1.00 0.00 H new ATOM 0 HB THR A 84 -1.756 -3.306 8.953 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.142 -3.615 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.902 -5.233 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.281 -5.601 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.726 -6.050 9.638 1.00 0.00 H new ATOM 1328 N ASN A 85 1.007 -3.681 11.394 1.00 0.00 N ATOM 1329 CA ASN A 85 2.377 -4.177 11.627 1.00 0.00 C ATOM 1330 C ASN A 85 3.182 -4.362 10.331 1.00 0.00 C ATOM 1331 O ASN A 85 4.158 -5.120 10.315 1.00 0.00 O ATOM 1332 CB ASN A 85 2.424 -5.489 12.450 1.00 0.00 C ATOM 1333 CG ASN A 85 1.424 -5.591 13.589 1.00 0.00 C ATOM 1334 OD1 ASN A 85 0.453 -6.343 13.502 1.00 0.00 O ATOM 1335 ND2 ASN A 85 1.636 -4.855 14.662 1.00 0.00 N ATOM 0 H ASN A 85 0.893 -2.700 11.649 1.00 0.00 H new ATOM 0 HA ASN A 85 2.845 -3.388 12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.261 -6.327 11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.427 -5.602 12.861 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.987 -4.900 15.448 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.449 -4.241 14.707 1.00 0.00 H new ATOM 1342 N CYS A 86 2.811 -3.682 9.249 1.00 0.00 N ATOM 1343 CA CYS A 86 3.468 -3.694 7.939 1.00 0.00 C ATOM 1344 C CYS A 86 4.324 -2.434 7.734 1.00 0.00 C ATOM 1345 O CYS A 86 4.331 -1.543 8.594 1.00 0.00 O ATOM 1346 CB CYS A 86 2.375 -3.782 6.874 1.00 0.00 C ATOM 1347 SG CYS A 86 1.195 -2.457 7.228 1.00 0.00 S ATOM 0 H CYS A 86 1.995 -3.070 9.261 1.00 0.00 H new ATOM 0 HA CYS A 86 4.141 -4.549 7.868 1.00 0.00 H new ATOM 0 HB2 CYS A 86 2.797 -3.667 5.876 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.884 -4.755 6.903 1.00 0.00 H new ATOM 0 HG CYS A 86 0.238 -2.482 6.349 1.00 0.00 H new ATOM 1353 N THR A 87 5.080 -2.373 6.635 1.00 0.00 N ATOM 1354 CA THR A 87 5.976 -1.264 6.324 1.00 0.00 C ATOM 1355 C THR A 87 5.832 -0.696 4.903 1.00 0.00 C ATOM 1356 O THR A 87 5.108 -1.209 4.052 1.00 0.00 O ATOM 1357 CB THR A 87 7.426 -1.717 6.574 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.737 -2.736 5.645 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.702 -2.243 7.981 1.00 0.00 C ATOM 0 H THR A 87 5.084 -3.107 5.926 1.00 0.00 H new ATOM 0 HA THR A 87 5.695 -0.442 6.983 1.00 0.00 H new ATOM 0 HB THR A 87 8.049 -0.830 6.457 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.569 -2.511 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.748 -2.537 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.488 -1.461 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.066 -3.106 8.178 1.00 0.00 H new ATOM 1367 N VAL A 88 6.588 0.365 4.628 1.00 0.00 N ATOM 1368 CA VAL A 88 6.780 0.969 3.320 1.00 0.00 C ATOM 1369 C VAL A 88 7.340 -0.058 2.331 1.00 0.00 C ATOM 1370 O VAL A 88 6.970 -0.020 1.160 1.00 0.00 O ATOM 1371 CB VAL A 88 7.758 2.150 3.488 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.384 2.626 2.172 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.030 3.333 4.130 1.00 0.00 C ATOM 0 H VAL A 88 7.111 0.851 5.357 1.00 0.00 H new ATOM 0 HA VAL A 88 5.828 1.321 2.922 1.00 0.00 H new ATOM 0 HB VAL A 88 8.567 1.783 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.060 3.458 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.941 1.807 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.597 2.952 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.723 4.166 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.200 3.639 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.648 3.038 5.107 1.00 0.00 H new ATOM 1383 N GLY A 89 8.245 -0.938 2.772 1.00 0.00 N ATOM 1384 CA GLY A 89 8.822 -1.956 1.911 1.00 0.00 C ATOM 1385 C GLY A 89 7.724 -2.889 1.425 1.00 0.00 C ATOM 1386 O GLY A 89 7.686 -3.212 0.238 1.00 0.00 O ATOM 0 H GLY A 89 8.591 -0.959 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.320 -1.489 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.580 -2.520 2.454 1.00 0.00 H new ATOM 1390 N ASP A 90 6.806 -3.257 2.325 1.00 0.00 N ATOM 1391 CA ASP A 90 5.637 -4.069 1.980 1.00 0.00 C ATOM 1392 C ASP A 90 4.801 -3.310 0.952 1.00 0.00 C ATOM 1393 O ASP A 90 4.430 -3.866 -0.080 1.00 0.00 O ATOM 1394 CB ASP A 90 4.751 -4.417 3.195 1.00 0.00 C ATOM 1395 CG ASP A 90 5.435 -5.235 4.286 1.00 0.00 C ATOM 1396 OD1 ASP A 90 6.270 -6.117 3.979 1.00 0.00 O ATOM 1397 OD2 ASP A 90 5.141 -4.997 5.482 1.00 0.00 O ATOM 0 H ASP A 90 6.853 -3.000 3.311 1.00 0.00 H new ATOM 0 HA ASP A 90 6.007 -5.013 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.385 -3.489 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.879 -4.968 2.843 1.00 0.00 H new ATOM 1402 N LEU A 91 4.510 -2.031 1.228 1.00 0.00 N ATOM 1403 CA LEU A 91 3.700 -1.170 0.371 1.00 0.00 C ATOM 1404 C LEU A 91 4.254 -1.161 -1.049 1.00 0.00 C ATOM 1405 O LEU A 91 3.521 -1.474 -1.980 1.00 0.00 O ATOM 1406 CB LEU A 91 3.595 0.246 0.967 1.00 0.00 C ATOM 1407 CG LEU A 91 2.855 1.272 0.084 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.476 0.830 -0.432 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.688 2.577 0.873 1.00 0.00 C ATOM 0 H LEU A 91 4.840 -1.562 2.071 1.00 0.00 H new ATOM 0 HA LEU A 91 2.687 -1.570 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.086 0.182 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.601 0.617 1.163 1.00 0.00 H new ATOM 0 HG LEU A 91 3.477 1.392 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.044 1.624 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.585 -0.071 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.820 0.624 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.166 3.310 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.110 2.384 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.669 2.965 1.146 1.00 0.00 H new ATOM 1421 N VAL A 92 5.530 -0.821 -1.224 1.00 0.00 N ATOM 1422 CA VAL A 92 6.220 -0.846 -2.509 1.00 0.00 C ATOM 1423 C VAL A 92 6.005 -2.192 -3.200 1.00 0.00 C ATOM 1424 O VAL A 92 5.623 -2.211 -4.366 1.00 0.00 O ATOM 1425 CB VAL A 92 7.708 -0.545 -2.262 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.650 -1.070 -3.353 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.918 0.945 -1.998 1.00 0.00 C ATOM 0 H VAL A 92 6.126 -0.513 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 92 5.818 -0.086 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 92 7.984 -1.104 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.679 -0.814 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.553 -2.153 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.388 -0.616 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.977 1.138 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.580 1.519 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.347 1.243 -1.119 1.00 0.00 H new ATOM 1437 N ASP A 93 6.237 -3.296 -2.494 1.00 0.00 N ATOM 1438 CA ASP A 93 6.196 -4.653 -3.037 1.00 0.00 C ATOM 1439 C ASP A 93 4.845 -4.929 -3.703 1.00 0.00 C ATOM 1440 O ASP A 93 4.744 -5.509 -4.788 1.00 0.00 O ATOM 1441 CB ASP A 93 6.379 -5.641 -1.877 1.00 0.00 C ATOM 1442 CG ASP A 93 7.278 -6.842 -2.166 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.149 -6.794 -3.061 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.149 -7.843 -1.419 1.00 0.00 O ATOM 0 H ASP A 93 6.465 -3.271 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 93 6.985 -4.765 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.789 -5.100 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.397 -6.009 -1.579 1.00 0.00 H new ATOM 1449 N LEU A 94 3.778 -4.508 -3.023 1.00 0.00 N ATOM 1450 CA LEU A 94 2.403 -4.633 -3.470 1.00 0.00 C ATOM 1451 C LEU A 94 2.123 -3.631 -4.585 1.00 0.00 C ATOM 1452 O LEU A 94 1.364 -3.927 -5.505 1.00 0.00 O ATOM 1453 CB LEU A 94 1.466 -4.370 -2.284 1.00 0.00 C ATOM 1454 CG LEU A 94 1.610 -5.416 -1.163 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.295 -4.780 0.183 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.663 -6.582 -1.406 1.00 0.00 C ATOM 0 H LEU A 94 3.858 -4.055 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 94 2.235 -5.639 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.671 -3.379 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.435 -4.363 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 94 2.636 -5.784 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.399 -5.526 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.987 -3.958 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.273 -4.400 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.775 -7.314 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.364 -6.219 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.899 -7.050 -2.362 1.00 0.00 H new ATOM 1468 N LEU A 95 2.649 -2.409 -4.493 1.00 0.00 N ATOM 1469 CA LEU A 95 2.425 -1.349 -5.473 1.00 0.00 C ATOM 1470 C LEU A 95 2.996 -1.752 -6.829 1.00 0.00 C ATOM 1471 O LEU A 95 2.309 -1.636 -7.844 1.00 0.00 O ATOM 1472 CB LEU A 95 3.021 -0.019 -4.995 1.00 0.00 C ATOM 1473 CG LEU A 95 2.214 0.720 -3.924 1.00 0.00 C ATOM 1474 CD1 LEU A 95 2.982 1.997 -3.560 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.798 1.058 -4.382 1.00 0.00 C ATOM 0 H LEU A 95 3.253 -2.125 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 95 1.350 -1.205 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.021 -0.209 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.135 0.638 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 95 2.100 0.070 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.432 2.548 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.967 1.732 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.094 2.620 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.272 1.581 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.844 1.696 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.265 0.139 -4.626 1.00 0.00 H new ATOM 1487 N VAL A 96 4.213 -2.293 -6.854 1.00 0.00 N ATOM 1488 CA VAL A 96 4.802 -2.858 -8.059 1.00 0.00 C ATOM 1489 C VAL A 96 3.896 -3.984 -8.587 1.00 0.00 C ATOM 1490 O VAL A 96 3.650 -4.032 -9.797 1.00 0.00 O ATOM 1491 CB VAL A 96 6.253 -3.305 -7.767 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.921 -3.933 -8.992 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.139 -2.116 -7.350 1.00 0.00 C ATOM 0 H VAL A 96 4.817 -2.350 -6.034 1.00 0.00 H new ATOM 0 HA VAL A 96 4.867 -2.113 -8.852 1.00 0.00 H new ATOM 0 HB VAL A 96 6.171 -4.034 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.938 -4.231 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.354 -4.809 -9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.947 -3.207 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.151 -2.468 -7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.161 -1.379 -8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.732 -1.658 -6.449 1.00 0.00 H new ATOM 1503 N GLN A 97 3.337 -4.837 -7.716 1.00 0.00 N ATOM 1504 CA GLN A 97 2.454 -5.930 -8.094 1.00 0.00 C ATOM 1505 C GLN A 97 1.241 -5.426 -8.884 1.00 0.00 C ATOM 1506 O GLN A 97 0.818 -6.071 -9.846 1.00 0.00 O ATOM 1507 CB GLN A 97 2.106 -6.765 -6.836 1.00 0.00 C ATOM 1508 CG GLN A 97 0.629 -6.976 -6.479 1.00 0.00 C ATOM 1509 CD GLN A 97 0.460 -8.090 -5.439 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.307 -8.289 -4.569 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.615 -8.856 -5.513 1.00 0.00 N ATOM 0 H GLN A 97 3.495 -4.778 -6.710 1.00 0.00 H new ATOM 0 HA GLN A 97 2.962 -6.602 -8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.561 -7.748 -6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.589 -6.292 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.210 -6.047 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.068 -7.228 -7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.314 -8.686 -6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.746 -9.617 -4.847 1.00 0.00 H new ATOM 1520 N ILE A 98 0.674 -4.279 -8.515 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.513 -3.732 -9.170 1.00 0.00 C ATOM 1522 C ILE A 98 -0.152 -2.811 -10.354 1.00 0.00 C ATOM 1523 O ILE A 98 -1.054 -2.189 -10.920 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.462 -3.097 -8.136 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.833 -1.852 -7.501 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.840 -4.128 -7.054 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.845 -1.009 -6.735 1.00 0.00 C ATOM 0 H ILE A 98 1.026 -3.701 -7.751 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.068 -4.552 -9.625 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.370 -2.785 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.035 -2.158 -6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.375 -1.243 -8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.511 -3.666 -6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.339 -4.978 -7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.938 -4.470 -6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.345 -0.141 -6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.630 -0.677 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.285 -1.606 -5.936 1.00 0.00 H new ATOM 1539 N GLU A 99 1.129 -2.749 -10.745 1.00 0.00 N ATOM 1540 CA GLU A 99 1.700 -1.931 -11.822 1.00 0.00 C ATOM 1541 C GLU A 99 1.734 -0.432 -11.464 1.00 0.00 C ATOM 1542 O GLU A 99 1.845 0.424 -12.346 1.00 0.00 O ATOM 1543 CB GLU A 99 1.010 -2.215 -13.177 1.00 0.00 C ATOM 1544 CG GLU A 99 1.962 -1.980 -14.362 1.00 0.00 C ATOM 1545 CD GLU A 99 1.223 -1.698 -15.669 1.00 0.00 C ATOM 1546 OE1 GLU A 99 0.705 -2.647 -16.299 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.188 -0.515 -16.093 1.00 0.00 O ATOM 0 H GLU A 99 1.844 -3.310 -10.283 1.00 0.00 H new ATOM 0 HA GLU A 99 2.742 -2.228 -11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.654 -3.245 -13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.135 -1.574 -13.281 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.619 -1.141 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.597 -2.856 -14.491 1.00 0.00 H new ATOM 1554 N LEU A 100 1.637 -0.084 -10.178 1.00 0.00 N ATOM 1555 CA LEU A 100 1.683 1.303 -9.719 1.00 0.00 C ATOM 1556 C LEU A 100 3.133 1.616 -9.356 1.00 0.00 C ATOM 1557 O LEU A 100 3.510 1.692 -8.183 1.00 0.00 O ATOM 1558 CB LEU A 100 0.706 1.551 -8.554 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.708 2.052 -8.928 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.659 3.473 -9.502 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.483 1.155 -9.905 1.00 0.00 C ATOM 0 H LEU A 100 1.524 -0.761 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 100 1.354 1.979 -10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.601 0.621 -7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.158 2.279 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.251 2.029 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.668 3.798 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.235 4.150 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.039 3.482 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.461 1.593 -10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.928 1.069 -10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.611 0.165 -9.467 1.00 0.00 H new ATOM 1573 N PHE A 101 3.965 1.781 -10.380 1.00 0.00 N ATOM 1574 CA PHE A 101 5.376 2.053 -10.201 1.00 0.00 C ATOM 1575 C PHE A 101 5.588 3.456 -9.645 1.00 0.00 C ATOM 1576 O PHE A 101 6.275 3.591 -8.649 1.00 0.00 O ATOM 1577 CB PHE A 101 6.163 1.845 -11.502 1.00 0.00 C ATOM 1578 CG PHE A 101 5.942 0.505 -12.183 1.00 0.00 C ATOM 1579 CD1 PHE A 101 6.137 -0.705 -11.482 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.540 0.471 -13.533 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.887 -1.931 -12.126 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.330 -0.757 -14.181 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.494 -1.959 -13.475 1.00 0.00 C ATOM 0 H PHE A 101 3.673 1.729 -11.356 1.00 0.00 H new ATOM 0 HA PHE A 101 5.762 1.338 -9.475 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.896 2.638 -12.200 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.226 1.954 -11.287 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.476 -0.690 -10.457 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.392 1.395 -14.073 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.998 -2.856 -11.580 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.043 -0.777 -15.222 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.318 -2.904 -13.968 1.00 0.00 H new ATOM 1593 N ALA A 102 4.975 4.499 -10.206 1.00 0.00 N ATOM 1594 CA ALA A 102 5.145 5.884 -9.757 1.00 0.00 C ATOM 1595 C ALA A 102 5.174 6.059 -8.218 1.00 0.00 C ATOM 1596 O ALA A 102 6.127 6.658 -7.707 1.00 0.00 O ATOM 1597 CB ALA A 102 4.080 6.756 -10.421 1.00 0.00 C ATOM 0 H ALA A 102 4.337 4.406 -10.996 1.00 0.00 H new ATOM 0 HA ALA A 102 6.136 6.210 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.199 7.789 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.191 6.705 -11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.090 6.398 -10.140 1.00 0.00 H new ATOM 1603 N PRO A 103 4.189 5.558 -7.448 1.00 0.00 N ATOM 1604 CA PRO A 103 4.207 5.629 -5.988 1.00 0.00 C ATOM 1605 C PRO A 103 5.218 4.673 -5.338 1.00 0.00 C ATOM 1606 O PRO A 103 5.864 5.086 -4.374 1.00 0.00 O ATOM 1607 CB PRO A 103 2.775 5.331 -5.544 1.00 0.00 C ATOM 1608 CG PRO A 103 2.205 4.514 -6.695 1.00 0.00 C ATOM 1609 CD PRO A 103 2.921 5.038 -7.921 1.00 0.00 C ATOM 0 HA PRO A 103 4.538 6.615 -5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.754 4.773 -4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.207 6.247 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.387 3.449 -6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.126 4.645 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.073 4.245 -8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.337 5.817 -8.411 1.00 0.00 H new ATOM 1617 N ALA A 104 5.392 3.446 -5.852 1.00 0.00 N ATOM 1618 CA ALA A 104 6.478 2.545 -5.454 1.00 0.00 C ATOM 1619 C ALA A 104 7.814 3.298 -5.565 1.00 0.00 C ATOM 1620 O ALA A 104 8.624 3.214 -4.655 1.00 0.00 O ATOM 1621 CB ALA A 104 6.455 1.279 -6.333 1.00 0.00 C ATOM 0 H ALA A 104 4.776 3.050 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 104 6.350 2.225 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.264 0.613 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.500 0.768 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.585 1.559 -7.378 1.00 0.00 H new ATOM 1627 N THR A 105 8.030 4.092 -6.616 1.00 0.00 N ATOM 1628 CA THR A 105 9.278 4.771 -6.908 1.00 0.00 C ATOM 1629 C THR A 105 9.423 5.970 -5.965 1.00 0.00 C ATOM 1630 O THR A 105 10.531 6.285 -5.524 1.00 0.00 O ATOM 1631 CB THR A 105 9.248 5.265 -8.371 1.00 0.00 C ATOM 1632 OG1 THR A 105 8.970 4.294 -9.356 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.530 5.943 -8.831 1.00 0.00 C ATOM 0 H THR A 105 7.307 4.282 -7.310 1.00 0.00 H new ATOM 0 HA THR A 105 10.119 4.092 -6.768 1.00 0.00 H new ATOM 0 HB THR A 105 8.417 5.968 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.059 3.955 -9.233 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.423 6.259 -9.869 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.726 6.814 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.361 5.243 -8.749 1.00 0.00 H new ATOM 1641 N LEU A 106 8.326 6.668 -5.637 1.00 0.00 N ATOM 1642 CA LEU A 106 8.379 7.813 -4.753 1.00 0.00 C ATOM 1643 C LEU A 106 8.856 7.366 -3.372 1.00 0.00 C ATOM 1644 O LEU A 106 9.644 8.060 -2.732 1.00 0.00 O ATOM 1645 CB LEU A 106 6.987 8.452 -4.685 1.00 0.00 C ATOM 1646 CG LEU A 106 6.989 9.740 -3.845 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.883 10.828 -4.450 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.578 10.315 -3.756 1.00 0.00 C ATOM 0 H LEU A 106 7.391 6.447 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 106 9.083 8.555 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.641 8.677 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.281 7.740 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 106 7.370 9.463 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.851 11.717 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.909 10.464 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.526 11.078 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.594 11.227 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.215 10.544 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.917 9.586 -3.288 1.00 0.00 H new ATOM 1660 N LEU A 107 8.395 6.191 -2.947 1.00 0.00 N ATOM 1661 CA LEU A 107 8.799 5.543 -1.711 1.00 0.00 C ATOM 1662 C LEU A 107 10.218 4.986 -1.839 1.00 0.00 C ATOM 1663 O LEU A 107 11.040 5.275 -0.981 1.00 0.00 O ATOM 1664 CB LEU A 107 7.798 4.433 -1.366 1.00 0.00 C ATOM 1665 CG LEU A 107 6.386 4.949 -1.023 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.393 3.789 -1.085 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.314 5.623 0.355 1.00 0.00 C ATOM 0 H LEU A 107 7.709 5.651 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 107 8.802 6.274 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.728 3.746 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.181 3.862 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 107 6.131 5.710 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.394 4.152 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.391 3.365 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.684 3.022 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.296 5.965 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.602 4.908 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.993 6.475 0.379 1.00 0.00 H new ATOM 1679 N LEU A 108 10.514 4.216 -2.890 1.00 0.00 N ATOM 1680 CA LEU A 108 11.788 3.547 -3.146 1.00 0.00 C ATOM 1681 C LEU A 108 12.017 3.452 -4.662 1.00 0.00 C ATOM 1682 O LEU A 108 11.511 2.538 -5.318 1.00 0.00 O ATOM 1683 CB LEU A 108 11.791 2.141 -2.534 1.00 0.00 C ATOM 1684 CG LEU A 108 12.583 2.039 -1.226 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.148 0.798 -0.441 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.092 1.983 -1.497 1.00 0.00 C ATOM 0 H LEU A 108 9.831 4.034 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 108 12.589 4.126 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.762 1.832 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.209 1.441 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 108 12.374 2.930 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.717 0.736 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.085 0.868 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.331 -0.094 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.629 1.911 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.319 1.111 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.401 2.887 -2.022 1.00 0.00 H new ATOM 1698 N PRO A 109 12.809 4.358 -5.247 1.00 0.00 N ATOM 1699 CA PRO A 109 13.080 4.368 -6.680 1.00 0.00 C ATOM 1700 C PRO A 109 14.084 3.264 -7.057 1.00 0.00 C ATOM 1701 O PRO A 109 14.285 2.964 -8.231 1.00 0.00 O ATOM 1702 CB PRO A 109 13.626 5.774 -6.944 1.00 0.00 C ATOM 1703 CG PRO A 109 14.327 6.153 -5.642 1.00 0.00 C ATOM 1704 CD PRO A 109 13.500 5.439 -4.572 1.00 0.00 C ATOM 0 HA PRO A 109 12.198 4.160 -7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.318 5.781 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.825 6.474 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.366 5.822 -5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.335 7.232 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.140 5.055 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.791 6.124 -4.107 1.00 0.00 H new ATOM 1712 N ASP A 110 14.734 2.671 -6.054 1.00 0.00 N ATOM 1713 CA ASP A 110 15.761 1.641 -6.162 1.00 0.00 C ATOM 1714 C ASP A 110 15.145 0.242 -6.232 1.00 0.00 C ATOM 1715 O ASP A 110 15.661 -0.632 -6.923 1.00 0.00 O ATOM 1716 CB ASP A 110 16.620 1.762 -4.900 1.00 0.00 C ATOM 1717 CG ASP A 110 17.926 0.970 -4.916 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.393 0.466 -5.959 1.00 0.00 O ATOM 1719 OD2 ASP A 110 18.559 0.908 -3.839 1.00 0.00 O ATOM 0 H ASP A 110 14.542 2.916 -5.083 1.00 0.00 H new ATOM 0 HA ASP A 110 16.344 1.779 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.855 2.814 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.028 1.435 -4.045 1.00 0.00 H new ATOM 1724 N ALA A 111 14.036 0.029 -5.513 1.00 0.00 N ATOM 1725 CA ALA A 111 13.430 -1.283 -5.294 1.00 0.00 C ATOM 1726 C ALA A 111 12.829 -1.923 -6.550 1.00 0.00 C ATOM 1727 O ALA A 111 12.857 -3.143 -6.726 1.00 0.00 O ATOM 1728 CB ALA A 111 12.319 -1.082 -4.265 1.00 0.00 C ATOM 0 H ALA A 111 13.525 0.785 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 111 14.215 -1.964 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.832 -2.036 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.745 -0.691 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.586 -0.375 -4.654 1.00 0.00 H new ATOM 1734 N VAL A 112 12.211 -1.094 -7.382 1.00 0.00 N ATOM 1735 CA VAL A 112 11.422 -1.472 -8.541 1.00 0.00 C ATOM 1736 C VAL A 112 12.320 -2.147 -9.589 1.00 0.00 C ATOM 1737 O VAL A 112 13.489 -1.770 -9.709 1.00 0.00 O ATOM 1738 CB VAL A 112 10.725 -0.184 -9.009 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.660 0.932 -9.504 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.594 -0.388 -10.022 1.00 0.00 C ATOM 0 H VAL A 112 12.251 -0.083 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 112 10.657 -2.219 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 112 10.280 0.154 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.067 1.794 -9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.336 1.223 -8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.240 0.571 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.166 0.578 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.989 -0.870 -10.916 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.821 -1.018 -9.582 1.00 0.00 H new ATOM 1750 N PRO A 113 11.811 -3.112 -10.374 1.00 0.00 N ATOM 1751 CA PRO A 113 12.571 -3.796 -11.419 1.00 0.00 C ATOM 1752 C PRO A 113 12.764 -2.908 -12.665 1.00 0.00 C ATOM 1753 O PRO A 113 12.644 -3.377 -13.798 1.00 0.00 O ATOM 1754 CB PRO A 113 11.792 -5.096 -11.678 1.00 0.00 C ATOM 1755 CG PRO A 113 10.348 -4.725 -11.365 1.00 0.00 C ATOM 1756 CD PRO A 113 10.496 -3.722 -10.222 1.00 0.00 C ATOM 0 HA PRO A 113 13.595 -4.021 -11.122 1.00 0.00 H new ATOM 0 HB2 PRO A 113 11.904 -5.430 -12.709 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.144 -5.907 -11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.848 -4.284 -12.227 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.763 -5.595 -11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.711 -2.967 -10.264 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.408 -4.219 -9.256 1.00 0.00 H new ATOM 1764 N GLN A 114 13.079 -1.624 -12.482 1.00 0.00 N ATOM 1765 CA GLN A 114 13.426 -0.686 -13.535 1.00 0.00 C ATOM 1766 C GLN A 114 14.689 0.075 -13.121 1.00 0.00 C ATOM 1767 O GLN A 114 15.155 -0.021 -11.982 1.00 0.00 O ATOM 1768 CB GLN A 114 12.249 0.276 -13.796 1.00 0.00 C ATOM 1769 CG GLN A 114 12.179 0.702 -15.274 1.00 0.00 C ATOM 1770 CD GLN A 114 11.378 1.982 -15.514 1.00 0.00 C ATOM 1771 OE1 GLN A 114 10.510 2.373 -14.738 1.00 0.00 O ATOM 1772 NE2 GLN A 114 11.638 2.669 -16.616 1.00 0.00 N ATOM 0 H GLN A 114 13.098 -1.198 -11.555 1.00 0.00 H new ATOM 0 HA GLN A 114 13.626 -1.220 -14.464 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.314 -0.207 -13.512 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.355 1.160 -13.167 1.00 0.00 H new ATOM 0 HG2 GLN A 114 13.193 0.844 -15.649 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.735 -0.107 -15.854 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.359 2.345 -17.261 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.118 3.522 -16.820 1.00 0.00 H new ATOM 1781 N THR A 115 15.230 0.850 -14.050 1.00 0.00 N ATOM 1782 CA THR A 115 16.130 1.960 -13.806 1.00 0.00 C ATOM 1783 C THR A 115 15.294 3.228 -14.022 1.00 0.00 C ATOM 1784 O THR A 115 14.334 3.224 -14.801 1.00 0.00 O ATOM 1785 CB THR A 115 17.353 1.838 -14.744 1.00 0.00 C ATOM 1786 OG1 THR A 115 18.075 3.047 -14.802 1.00 0.00 O ATOM 1787 CG2 THR A 115 17.006 1.490 -16.199 1.00 0.00 C ATOM 0 H THR A 115 15.041 0.712 -15.043 1.00 0.00 H new ATOM 0 HA THR A 115 16.543 1.980 -12.797 1.00 0.00 H new ATOM 0 HB THR A 115 17.931 1.024 -14.306 1.00 0.00 H new ATOM 0 HG1 THR A 115 18.844 2.941 -15.401 1.00 0.00 H new ATOM 0 HG21 THR A 115 17.922 1.424 -16.786 1.00 0.00 H new ATOM 0 HG22 THR A 115 16.486 0.533 -16.230 1.00 0.00 H new ATOM 0 HG23 THR A 115 16.363 2.266 -16.615 1.00 0.00 H new ATOM 1795 N VAL A 116 15.669 4.320 -13.366 1.00 0.00 N ATOM 1796 CA VAL A 116 15.063 5.637 -13.502 1.00 0.00 C ATOM 1797 C VAL A 116 16.195 6.664 -13.648 1.00 0.00 C ATOM 1798 O VAL A 116 17.357 6.296 -13.844 1.00 0.00 O ATOM 1799 CB VAL A 116 14.097 5.905 -12.321 1.00 0.00 C ATOM 1800 CG1 VAL A 116 12.929 4.904 -12.282 1.00 0.00 C ATOM 1801 CG2 VAL A 116 14.798 5.873 -10.958 1.00 0.00 C ATOM 0 H VAL A 116 16.438 4.310 -12.696 1.00 0.00 H new ATOM 0 HA VAL A 116 14.441 5.710 -14.394 1.00 0.00 H new ATOM 0 HB VAL A 116 13.714 6.909 -12.502 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.281 5.134 -11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.358 4.975 -13.207 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.320 3.892 -12.174 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.070 6.067 -10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 116 15.247 4.892 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 116 15.575 6.637 -10.931 1.00 0.00 H new ATOM 1811 N LYS A 117 15.874 7.954 -13.653 1.00 0.00 N ATOM 1812 CA LYS A 117 16.830 9.043 -13.478 1.00 0.00 C ATOM 1813 C LYS A 117 16.064 10.244 -12.936 1.00 0.00 C ATOM 1814 O LYS A 117 14.849 10.127 -12.727 1.00 0.00 O ATOM 1815 CB LYS A 117 17.579 9.356 -14.787 1.00 0.00 C ATOM 1816 CG LYS A 117 16.765 10.026 -15.905 1.00 0.00 C ATOM 1817 CD LYS A 117 16.395 9.054 -17.024 1.00 0.00 C ATOM 1818 CE LYS A 117 15.970 9.875 -18.244 1.00 0.00 C ATOM 1819 NZ LYS A 117 15.549 9.028 -19.376 1.00 0.00 N ATOM 0 H LYS A 117 14.916 8.280 -13.782 1.00 0.00 H new ATOM 0 HA LYS A 117 17.607 8.759 -12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 117 18.425 10.001 -14.549 1.00 0.00 H new ATOM 0 HB3 LYS A 117 17.988 8.424 -15.176 1.00 0.00 H new ATOM 0 HG2 LYS A 117 15.855 10.451 -15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 117 17.339 10.853 -16.322 1.00 0.00 H new ATOM 0 HD2 LYS A 117 17.244 8.417 -17.271 1.00 0.00 H new ATOM 0 HD3 LYS A 117 15.585 8.397 -16.706 1.00 0.00 H new ATOM 0 HE2 LYS A 117 15.150 10.537 -17.965 1.00 0.00 H new ATOM 0 HE3 LYS A 117 16.799 10.509 -18.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 15.271 9.631 -20.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 16.338 8.414 -19.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 14.740 8.441 -19.088 1.00 0.00 H new ATOM 1833 N SER A 118 16.720 11.387 -12.764 1.00 0.00 N ATOM 1834 CA SER A 118 16.066 12.631 -12.388 1.00 0.00 C ATOM 1835 C SER A 118 16.581 13.781 -13.255 1.00 0.00 C ATOM 1836 O SER A 118 17.719 13.760 -13.736 1.00 0.00 O ATOM 1837 CB SER A 118 16.323 12.888 -10.900 1.00 0.00 C ATOM 1838 OG SER A 118 15.771 11.847 -10.106 1.00 0.00 O ATOM 0 H SER A 118 17.729 11.474 -12.883 1.00 0.00 H new ATOM 0 HA SER A 118 14.991 12.558 -12.553 1.00 0.00 H new ATOM 0 HB2 SER A 118 17.395 12.960 -10.719 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.886 13.843 -10.610 1.00 0.00 H new ATOM 0 HG SER A 118 15.947 12.029 -9.159 1.00 0.00 H new ATOM 1844 N LEU A 119 15.760 14.816 -13.408 1.00 0.00 N ATOM 1845 CA LEU A 119 16.091 16.091 -14.028 1.00 0.00 C ATOM 1846 C LEU A 119 15.418 17.176 -13.187 1.00 0.00 C ATOM 1847 O LEU A 119 14.367 16.906 -12.590 1.00 0.00 O ATOM 1848 CB LEU A 119 15.559 16.146 -15.474 1.00 0.00 C ATOM 1849 CG LEU A 119 16.378 15.330 -16.493 1.00 0.00 C ATOM 1850 CD1 LEU A 119 15.602 15.217 -17.809 1.00 0.00 C ATOM 1851 CD2 LEU A 119 17.734 15.991 -16.770 1.00 0.00 C ATOM 0 H LEU A 119 14.793 14.784 -13.084 1.00 0.00 H new ATOM 0 HA LEU A 119 17.171 16.230 -14.069 1.00 0.00 H new ATOM 0 HB2 LEU A 119 14.531 15.785 -15.482 1.00 0.00 H new ATOM 0 HB3 LEU A 119 15.534 17.186 -15.798 1.00 0.00 H new ATOM 0 HG LEU A 119 16.550 14.340 -16.070 1.00 0.00 H new ATOM 0 HD11 LEU A 119 16.185 14.639 -18.527 1.00 0.00 H new ATOM 0 HD12 LEU A 119 14.650 14.717 -17.628 1.00 0.00 H new ATOM 0 HD13 LEU A 119 15.418 16.214 -18.210 1.00 0.00 H new ATOM 0 HD21 LEU A 119 18.290 15.393 -17.492 1.00 0.00 H new ATOM 0 HD22 LEU A 119 17.576 16.991 -17.173 1.00 0.00 H new ATOM 0 HD23 LEU A 119 18.302 16.059 -15.842 1.00 0.00 H new ATOM 1863 N PRO A 120 15.970 18.399 -13.131 1.00 0.00 N ATOM 1864 CA PRO A 120 15.274 19.521 -12.519 1.00 0.00 C ATOM 1865 C PRO A 120 14.050 19.877 -13.384 1.00 0.00 C ATOM 1866 O PRO A 120 14.088 19.670 -14.603 1.00 0.00 O ATOM 1867 CB PRO A 120 16.319 20.641 -12.453 1.00 0.00 C ATOM 1868 CG PRO A 120 17.254 20.343 -13.625 1.00 0.00 C ATOM 1869 CD PRO A 120 17.242 18.816 -13.705 1.00 0.00 C ATOM 0 HA PRO A 120 14.886 19.318 -11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 120 15.858 21.624 -12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.854 20.633 -11.503 1.00 0.00 H new ATOM 0 HG2 PRO A 120 16.897 20.797 -14.550 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.258 20.729 -13.447 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.335 18.478 -14.737 1.00 0.00 H new ATOM 0 HD3 PRO A 120 18.079 18.389 -13.153 1.00 0.00 H new ATOM 1877 N PRO A 121 12.956 20.401 -12.810 1.00 0.00 N ATOM 1878 CA PRO A 121 11.755 20.716 -13.574 1.00 0.00 C ATOM 1879 C PRO A 121 11.978 21.960 -14.437 1.00 0.00 C ATOM 1880 O PRO A 121 12.507 22.961 -13.944 1.00 0.00 O ATOM 1881 CB PRO A 121 10.669 20.954 -12.522 1.00 0.00 C ATOM 1882 CG PRO A 121 11.443 21.444 -11.301 1.00 0.00 C ATOM 1883 CD PRO A 121 12.760 20.673 -11.393 1.00 0.00 C ATOM 0 HA PRO A 121 11.479 19.917 -14.262 1.00 0.00 H new ATOM 0 HB2 PRO A 121 9.942 21.694 -12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.116 20.040 -12.304 1.00 0.00 H new ATOM 0 HG2 PRO A 121 11.604 22.522 -11.331 1.00 0.00 H new ATOM 0 HG3 PRO A 121 10.913 21.227 -10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.586 21.258 -10.988 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.713 19.748 -10.819 1.00 0.00 H new ATOM 1891 N SER A 122 11.528 21.942 -15.692 1.00 0.00 N ATOM 1892 CA SER A 122 11.305 23.161 -16.462 1.00 0.00 C ATOM 1893 C SER A 122 10.184 23.992 -15.839 1.00 0.00 C ATOM 1894 O SER A 122 10.299 25.216 -15.868 1.00 0.00 O ATOM 1895 CB SER A 122 10.944 22.825 -17.914 1.00 0.00 C ATOM 1896 OG SER A 122 12.105 22.767 -18.721 1.00 0.00 O ATOM 0 H SER A 122 11.309 21.085 -16.200 1.00 0.00 H new ATOM 0 HA SER A 122 12.229 23.739 -16.449 1.00 0.00 H new ATOM 0 HB2 SER A 122 10.422 21.869 -17.952 1.00 0.00 H new ATOM 0 HB3 SER A 122 10.260 23.577 -18.307 1.00 0.00 H new ATOM 0 HG SER A 122 11.852 22.550 -19.643 1.00 0.00 H new ATOM 1902 N GLY A 123 9.148 23.346 -15.279 1.00 0.00 N ATOM 1903 CA GLY A 123 7.957 23.997 -14.727 1.00 0.00 C ATOM 1904 C GLY A 123 7.509 25.146 -15.632 1.00 0.00 C ATOM 1905 O GLY A 123 7.662 26.302 -15.237 1.00 0.00 O ATOM 0 H GLY A 123 9.119 22.330 -15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.151 23.270 -14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.172 24.375 -13.728 1.00 0.00 H new ATOM 1909 N PRO A 124 7.099 24.854 -16.877 1.00 0.00 N ATOM 1910 CA PRO A 124 7.027 25.840 -17.936 1.00 0.00 C ATOM 1911 C PRO A 124 5.865 26.794 -17.677 1.00 0.00 C ATOM 1912 O PRO A 124 4.702 26.405 -17.817 1.00 0.00 O ATOM 1913 CB PRO A 124 6.856 25.027 -19.219 1.00 0.00 C ATOM 1914 CG PRO A 124 6.124 23.765 -18.767 1.00 0.00 C ATOM 1915 CD PRO A 124 6.684 23.546 -17.363 1.00 0.00 C ATOM 0 HA PRO A 124 7.913 26.471 -18.002 1.00 0.00 H new ATOM 0 HB2 PRO A 124 6.281 25.576 -19.965 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.819 24.789 -19.671 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.043 23.904 -18.756 1.00 0.00 H new ATOM 0 HG3 PRO A 124 6.330 22.919 -19.423 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.930 23.110 -16.708 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.526 22.855 -17.384 1.00 0.00 H new ATOM 1923 N SER A 125 6.163 28.031 -17.302 1.00 0.00 N ATOM 1924 CA SER A 125 5.174 29.064 -17.065 1.00 0.00 C ATOM 1925 C SER A 125 5.797 30.396 -17.473 1.00 0.00 C ATOM 1926 O SER A 125 6.791 30.819 -16.876 1.00 0.00 O ATOM 1927 CB SER A 125 4.693 28.997 -15.610 1.00 0.00 C ATOM 1928 OG SER A 125 5.737 28.809 -14.667 1.00 0.00 O ATOM 0 H SER A 125 7.121 28.347 -17.152 1.00 0.00 H new ATOM 0 HA SER A 125 4.274 28.929 -17.665 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.162 29.918 -15.370 1.00 0.00 H new ATOM 0 HB3 SER A 125 3.977 28.181 -15.512 1.00 0.00 H new ATOM 0 HG SER A 125 5.360 28.777 -13.763 1.00 0.00 H new ATOM 1934 N SER A 126 5.273 31.010 -18.535 1.00 0.00 N ATOM 1935 CA SER A 126 5.882 32.136 -19.240 1.00 0.00 C ATOM 1936 C SER A 126 7.322 31.829 -19.697 1.00 0.00 C ATOM 1937 O SER A 126 7.823 30.710 -19.530 1.00 0.00 O ATOM 1938 CB SER A 126 5.770 33.410 -18.385 1.00 0.00 C ATOM 1939 OG SER A 126 4.440 33.584 -17.930 1.00 0.00 O ATOM 0 H SER A 126 4.382 30.726 -18.941 1.00 0.00 H new ATOM 0 HA SER A 126 5.329 32.312 -20.163 1.00 0.00 H new ATOM 0 HB2 SER A 126 6.447 33.345 -17.533 1.00 0.00 H new ATOM 0 HB3 SER A 126 6.077 34.277 -18.970 1.00 0.00 H new ATOM 0 HG SER A 126 4.384 34.397 -17.386 1.00 0.00 H new ATOM 1945 N GLY A 127 7.976 32.817 -20.314 1.00 0.00 N ATOM 1946 CA GLY A 127 9.179 32.603 -21.098 1.00 0.00 C ATOM 1947 C GLY A 127 8.700 32.062 -22.423 1.00 0.00 C ATOM 1948 O GLY A 127 8.069 32.843 -23.163 1.00 0.00 O ATOM 0 H GLY A 127 7.677 33.792 -20.279 1.00 0.00 H new ATOM 0 HA2 GLY A 127 9.733 33.532 -21.230 1.00 0.00 H new ATOM 0 HA3 GLY A 127 9.850 31.899 -20.605 1.00 0.00 H new TER 1952 GLY A 127