USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 807 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 35 GLN : amide:sc= 0.472 K(o=1,f=-1.2) USER MOD Set 1.2: A 90 GLN : amide:sc= 0.557 K(o=1,f=-0.068) USER MOD Set 2.1: A 11 GLN : amide:sc= 0.984 K(o=2.1,f=-3) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0) USER MOD Set 3.1: A 7 ASN : amide:sc= 0.879 K(o=1.7,f=0.88) USER MOD Set 3.2: A 60 TYR OH : rot 30:sc= 0.777 USER MOD Single : A 8 CYS SG : rot -31:sc= 0.0212 USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.0389 (180deg=-0.293) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 140:sc= -0.0303 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 60:sc= -1 USER MOD Single : A 30 GLN : amide:sc= -0.0637 K(o=-0.064,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0.00432 X(o=0.0043,f=-0.14) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0108 K(o=-0.011,f=-0.93) USER MOD Single : A 58 GLN : amide:sc= 0.669 K(o=0.67,f=-3.5!) USER MOD Single : A 62 GLN : amide:sc= 0.46 K(o=0.46,f=-3.7!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -65:sc= 2.12 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 25:sc= 0.711 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot -69:sc= 1.24 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 106 GLN : amide:sc= -0.0366 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 5 -0.132 10.183 -10.536 1.00 0.00 N ATOM 46 CA PHE A 5 0.980 9.618 -9.768 1.00 0.00 C ATOM 47 C PHE A 5 0.498 8.486 -8.861 1.00 0.00 C ATOM 48 O PHE A 5 1.142 7.446 -8.814 1.00 0.00 O ATOM 49 CB PHE A 5 1.721 10.688 -8.950 1.00 0.00 C ATOM 50 CG PHE A 5 3.167 10.337 -8.619 1.00 0.00 C ATOM 51 CD1 PHE A 5 3.479 9.297 -7.716 1.00 0.00 C ATOM 52 CD2 PHE A 5 4.216 11.051 -9.232 1.00 0.00 C ATOM 53 CE1 PHE A 5 4.821 8.965 -7.450 1.00 0.00 C ATOM 54 CE2 PHE A 5 5.556 10.735 -8.945 1.00 0.00 C ATOM 55 CZ PHE A 5 5.860 9.689 -8.056 1.00 0.00 C ATOM 0 HA PHE A 5 1.689 9.210 -10.488 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.705 11.627 -9.503 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.179 10.857 -8.020 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.684 8.754 -7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.989 11.846 -9.927 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.052 8.151 -6.778 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.353 11.297 -9.408 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.889 9.443 -7.840 1.00 0.00 H new ATOM 65 N VAL A 6 -0.615 8.663 -8.136 1.00 0.00 N ATOM 66 CA VAL A 6 -1.234 7.569 -7.390 1.00 0.00 C ATOM 67 C VAL A 6 -2.068 6.709 -8.343 1.00 0.00 C ATOM 68 O VAL A 6 -1.955 5.483 -8.321 1.00 0.00 O ATOM 69 CB VAL A 6 -2.049 8.133 -6.205 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.034 7.129 -5.586 1.00 0.00 C ATOM 71 CG2 VAL A 6 -1.115 8.609 -5.082 1.00 0.00 C ATOM 0 H VAL A 6 -1.102 9.555 -8.053 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.471 6.920 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.623 8.956 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.566 7.603 -4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.750 6.808 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.486 6.263 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.709 9.003 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.514 7.771 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.458 9.392 -5.462 1.00 0.00 H new ATOM 81 N ASN A 7 -2.933 7.331 -9.153 1.00 0.00 N ATOM 82 CA ASN A 7 -3.997 6.606 -9.847 1.00 0.00 C ATOM 83 C ASN A 7 -3.437 5.560 -10.816 1.00 0.00 C ATOM 84 O ASN A 7 -3.843 4.399 -10.774 1.00 0.00 O ATOM 85 CB ASN A 7 -4.942 7.584 -10.560 1.00 0.00 C ATOM 86 CG ASN A 7 -6.294 6.923 -10.786 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.446 6.041 -11.622 1.00 0.00 O ATOM 88 ND2 ASN A 7 -7.302 7.304 -10.025 1.00 0.00 N ATOM 0 H ASN A 7 -2.915 8.333 -9.342 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.573 6.064 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.064 8.487 -9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.512 7.889 -11.514 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.216 6.863 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.168 8.039 -9.331 1.00 0.00 H new ATOM 95 N CYS A 8 -2.466 5.959 -11.644 1.00 0.00 N ATOM 96 CA CYS A 8 -1.810 5.082 -12.604 1.00 0.00 C ATOM 97 C CYS A 8 -0.837 4.114 -11.917 1.00 0.00 C ATOM 98 O CYS A 8 -0.517 3.065 -12.479 1.00 0.00 O ATOM 99 CB CYS A 8 -1.098 5.944 -13.660 1.00 0.00 C ATOM 100 SG CYS A 8 -0.592 4.943 -15.085 1.00 0.00 S ATOM 0 H CYS A 8 -2.113 6.916 -11.662 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.562 4.463 -13.093 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.762 6.743 -13.990 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.223 6.420 -13.216 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.328 3.732 -14.693 1.00 0.00 H new ATOM 106 N LYS A 9 -0.357 4.431 -10.708 1.00 0.00 N ATOM 107 CA LYS A 9 0.495 3.517 -9.954 1.00 0.00 C ATOM 108 C LYS A 9 -0.261 2.257 -9.573 1.00 0.00 C ATOM 109 O LYS A 9 0.305 1.170 -9.722 1.00 0.00 O ATOM 110 CB LYS A 9 1.083 4.189 -8.704 1.00 0.00 C ATOM 111 CG LYS A 9 2.608 4.325 -8.701 1.00 0.00 C ATOM 112 CD LYS A 9 3.277 5.040 -9.886 1.00 0.00 C ATOM 113 CE LYS A 9 4.793 4.803 -9.811 1.00 0.00 C ATOM 114 NZ LYS A 9 5.151 3.421 -10.193 1.00 0.00 N ATOM 0 H LYS A 9 -0.547 5.315 -10.235 1.00 0.00 H new ATOM 0 HA LYS A 9 1.325 3.240 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.644 5.182 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.782 3.617 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.893 4.852 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.031 3.323 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.881 4.661 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.059 6.108 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.304 5.506 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.143 5.002 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.151 3.387 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.998 2.786 -9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.556 3.116 -10.990 1.00 0.00 H new ATOM 128 N ILE A 10 -1.476 2.384 -9.024 1.00 0.00 N ATOM 129 CA ILE A 10 -2.245 1.216 -8.632 1.00 0.00 C ATOM 130 C ILE A 10 -2.582 0.436 -9.899 1.00 0.00 C ATOM 131 O ILE A 10 -2.768 1.004 -10.977 1.00 0.00 O ATOM 132 CB ILE A 10 -3.522 1.638 -7.889 1.00 0.00 C ATOM 133 CG1 ILE A 10 -3.235 2.579 -6.703 1.00 0.00 C ATOM 134 CG2 ILE A 10 -4.287 0.429 -7.327 1.00 0.00 C ATOM 135 CD1 ILE A 10 -4.356 3.600 -6.588 1.00 0.00 C ATOM 0 H ILE A 10 -1.936 3.277 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.668 0.590 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.120 2.156 -8.639 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.154 2.005 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.280 3.085 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.183 0.773 -6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.572 -0.233 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.650 -0.112 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.156 4.267 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.415 4.181 -7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.302 3.084 -6.423 1.00 0.00 H new ATOM 147 N GLN A 11 -2.702 -0.875 -9.754 1.00 0.00 N ATOM 148 CA GLN A 11 -3.129 -1.778 -10.797 1.00 0.00 C ATOM 149 C GLN A 11 -3.939 -2.877 -10.101 1.00 0.00 C ATOM 150 O GLN A 11 -3.673 -3.165 -8.924 1.00 0.00 O ATOM 151 CB GLN A 11 -1.853 -2.319 -11.463 1.00 0.00 C ATOM 152 CG GLN A 11 -2.074 -3.099 -12.761 1.00 0.00 C ATOM 153 CD GLN A 11 -0.767 -3.723 -13.238 1.00 0.00 C ATOM 154 OE1 GLN A 11 0.239 -3.033 -13.410 1.00 0.00 O ATOM 155 NE2 GLN A 11 -0.730 -5.030 -13.415 1.00 0.00 N ATOM 0 H GLN A 11 -2.496 -1.350 -8.875 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.748 -1.318 -11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.188 -1.481 -11.671 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.338 -2.966 -10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.819 -3.878 -12.601 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.468 -2.434 -13.529 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.571 -5.588 -13.269 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.140 -5.482 -13.698 1.00 0.00 H new ATOM 164 N PRO A 12 -4.896 -3.523 -10.780 1.00 0.00 N ATOM 165 CA PRO A 12 -5.374 -4.824 -10.352 1.00 0.00 C ATOM 166 C PRO A 12 -4.227 -5.840 -10.401 1.00 0.00 C ATOM 167 O PRO A 12 -3.207 -5.637 -11.062 1.00 0.00 O ATOM 168 CB PRO A 12 -6.504 -5.176 -11.314 1.00 0.00 C ATOM 169 CG PRO A 12 -6.157 -4.403 -12.582 1.00 0.00 C ATOM 170 CD PRO A 12 -5.516 -3.131 -12.037 1.00 0.00 C ATOM 0 HA PRO A 12 -5.736 -4.828 -9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.551 -6.249 -11.500 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.475 -4.878 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.471 -4.960 -13.220 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.043 -4.186 -13.179 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.777 -2.733 -12.733 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.261 -2.350 -11.882 1.00 0.00 H new ATOM 178 N GLY A 13 -4.389 -6.948 -9.688 1.00 0.00 N ATOM 179 CA GLY A 13 -3.390 -8.013 -9.649 1.00 0.00 C ATOM 180 C GLY A 13 -1.995 -7.540 -9.236 1.00 0.00 C ATOM 181 O GLY A 13 -1.014 -8.164 -9.636 1.00 0.00 O ATOM 0 H GLY A 13 -5.216 -7.135 -9.120 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.722 -8.784 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.329 -8.477 -10.634 1.00 0.00 H new ATOM 185 N LYS A 14 -1.866 -6.430 -8.503 1.00 0.00 N ATOM 186 CA LYS A 14 -0.602 -5.900 -7.998 1.00 0.00 C ATOM 187 C LYS A 14 -0.850 -5.355 -6.594 1.00 0.00 C ATOM 188 O LYS A 14 -2.000 -5.094 -6.229 1.00 0.00 O ATOM 189 CB LYS A 14 -0.050 -4.846 -8.988 1.00 0.00 C ATOM 190 CG LYS A 14 1.459 -5.012 -9.235 1.00 0.00 C ATOM 191 CD LYS A 14 1.969 -4.387 -10.542 1.00 0.00 C ATOM 192 CE LYS A 14 1.947 -2.853 -10.554 1.00 0.00 C ATOM 193 NZ LYS A 14 2.453 -2.324 -11.841 1.00 0.00 N ATOM 0 H LYS A 14 -2.668 -5.858 -8.237 1.00 0.00 H new ATOM 0 HA LYS A 14 0.165 -6.671 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.582 -4.927 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.244 -3.847 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.001 -4.567 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.698 -6.076 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.989 -4.726 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.362 -4.755 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.930 -2.499 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.556 -2.471 -9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.620 -1.301 -11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.344 -2.801 -12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.751 -2.498 -12.588 1.00 0.00 H new ATOM 207 N VAL A 15 0.204 -5.200 -5.801 1.00 0.00 N ATOM 208 CA VAL A 15 0.129 -4.827 -4.399 1.00 0.00 C ATOM 209 C VAL A 15 0.911 -3.530 -4.247 1.00 0.00 C ATOM 210 O VAL A 15 2.112 -3.535 -3.998 1.00 0.00 O ATOM 211 CB VAL A 15 0.626 -5.974 -3.490 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.400 -5.546 -2.038 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.106 -7.293 -3.758 1.00 0.00 C ATOM 0 H VAL A 15 1.161 -5.335 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.899 -4.657 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 15 1.681 -6.153 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.741 -6.336 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.960 -4.633 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.662 -5.364 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.281 -8.065 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.173 -7.160 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.052 -7.593 -4.794 1.00 0.00 H new ATOM 223 N VAL A 16 0.241 -2.404 -4.454 1.00 0.00 N ATOM 224 CA VAL A 16 0.896 -1.113 -4.581 1.00 0.00 C ATOM 225 C VAL A 16 0.622 -0.347 -3.296 1.00 0.00 C ATOM 226 O VAL A 16 -0.520 -0.296 -2.842 1.00 0.00 O ATOM 227 CB VAL A 16 0.404 -0.435 -5.869 1.00 0.00 C ATOM 228 CG1 VAL A 16 0.984 0.974 -6.012 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.830 -1.293 -7.078 1.00 0.00 C ATOM 0 H VAL A 16 -0.775 -2.362 -4.538 1.00 0.00 H new ATOM 0 HA VAL A 16 1.979 -1.177 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.682 -0.349 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.617 1.427 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.677 1.582 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.072 0.918 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.486 -0.821 -7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.916 -1.379 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.389 -2.286 -6.993 1.00 0.00 H new ATOM 239 N VAL A 17 1.661 0.196 -2.668 1.00 0.00 N ATOM 240 CA VAL A 17 1.581 0.706 -1.311 1.00 0.00 C ATOM 241 C VAL A 17 2.205 2.088 -1.275 1.00 0.00 C ATOM 242 O VAL A 17 3.409 2.210 -1.452 1.00 0.00 O ATOM 243 CB VAL A 17 2.283 -0.254 -0.334 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.031 0.218 1.107 1.00 0.00 C ATOM 245 CG2 VAL A 17 1.848 -1.717 -0.513 1.00 0.00 C ATOM 0 H VAL A 17 2.584 0.293 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 17 0.539 0.778 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 17 3.350 -0.229 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.526 -0.459 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.428 1.225 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.959 0.223 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.378 -2.344 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.774 -1.801 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.083 -2.045 -1.525 1.00 0.00 H new ATOM 255 N PHE A 18 1.411 3.127 -1.045 1.00 0.00 N ATOM 256 CA PHE A 18 1.948 4.479 -0.938 1.00 0.00 C ATOM 257 C PHE A 18 2.499 4.631 0.478 1.00 0.00 C ATOM 258 O PHE A 18 1.773 4.358 1.439 1.00 0.00 O ATOM 259 CB PHE A 18 0.880 5.513 -1.317 1.00 0.00 C ATOM 260 CG PHE A 18 0.419 5.279 -2.735 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.142 5.826 -3.811 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.656 4.411 -2.978 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.763 5.526 -5.129 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.040 4.120 -4.293 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.337 4.688 -5.367 1.00 0.00 C ATOM 0 H PHE A 18 0.400 3.061 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 18 2.762 4.656 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.034 5.442 -0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.285 6.520 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.985 6.474 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.188 3.967 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.317 5.940 -5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.875 3.461 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.644 4.479 -6.381 1.00 0.00 H new ATOM 275 N ILE A 19 3.770 5.008 0.608 1.00 0.00 N ATOM 276 CA ILE A 19 4.543 5.077 1.846 1.00 0.00 C ATOM 277 C ILE A 19 5.270 6.421 1.947 1.00 0.00 C ATOM 278 O ILE A 19 5.238 7.203 1.002 1.00 0.00 O ATOM 279 CB ILE A 19 5.578 3.926 1.910 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.623 3.974 0.770 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.903 2.555 1.941 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.040 3.695 1.271 1.00 0.00 C ATOM 0 H ILE A 19 4.322 5.292 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 19 3.850 4.978 2.682 1.00 0.00 H new ATOM 0 HB ILE A 19 6.115 4.078 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.359 3.242 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.594 4.954 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.664 1.776 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.260 2.486 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.303 2.425 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.737 3.740 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.317 4.443 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.078 2.703 1.722 1.00 0.00 H new ATOM 294 N LYS A 20 6.002 6.668 3.037 1.00 0.00 N ATOM 295 CA LYS A 20 7.064 7.676 3.063 1.00 0.00 C ATOM 296 C LYS A 20 8.305 7.087 3.728 1.00 0.00 C ATOM 297 O LYS A 20 8.181 6.097 4.456 1.00 0.00 O ATOM 298 CB LYS A 20 6.551 8.993 3.675 1.00 0.00 C ATOM 299 CG LYS A 20 7.106 9.470 5.011 1.00 0.00 C ATOM 300 CD LYS A 20 6.406 10.721 5.530 1.00 0.00 C ATOM 301 CE LYS A 20 6.826 11.968 4.751 1.00 0.00 C ATOM 302 NZ LYS A 20 6.203 13.163 5.337 1.00 0.00 N ATOM 0 H LYS A 20 5.876 6.177 3.922 1.00 0.00 H new ATOM 0 HA LYS A 20 7.368 7.948 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.732 9.783 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.470 8.902 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.006 8.672 5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.172 9.673 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.326 10.592 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.638 10.856 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.911 12.069 4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.531 11.870 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.495 14.005 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.168 13.069 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.505 13.262 6.327 1.00 0.00 H new ATOM 316 N PRO A 21 9.500 7.660 3.516 1.00 0.00 N ATOM 317 CA PRO A 21 10.728 7.093 4.040 1.00 0.00 C ATOM 318 C PRO A 21 10.888 7.420 5.529 1.00 0.00 C ATOM 319 O PRO A 21 11.482 6.634 6.269 1.00 0.00 O ATOM 320 CB PRO A 21 11.839 7.699 3.177 1.00 0.00 C ATOM 321 CG PRO A 21 11.291 9.067 2.779 1.00 0.00 C ATOM 322 CD PRO A 21 9.785 8.842 2.717 1.00 0.00 C ATOM 0 HA PRO A 21 10.746 6.004 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.772 7.789 3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.047 7.082 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.553 9.832 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.688 9.394 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.249 9.708 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.458 8.700 1.687 1.00 0.00 H new ATOM 330 N THR A 22 10.366 8.563 5.976 1.00 0.00 N ATOM 331 CA THR A 22 10.441 9.034 7.348 1.00 0.00 C ATOM 332 C THR A 22 9.234 8.571 8.182 1.00 0.00 C ATOM 333 O THR A 22 9.105 8.977 9.340 1.00 0.00 O ATOM 334 CB THR A 22 10.602 10.566 7.336 1.00 0.00 C ATOM 335 OG1 THR A 22 9.523 11.206 6.683 1.00 0.00 O ATOM 336 CG2 THR A 22 11.883 11.016 6.622 1.00 0.00 C ATOM 0 H THR A 22 9.862 9.206 5.365 1.00 0.00 H new ATOM 0 HA THR A 22 11.311 8.595 7.836 1.00 0.00 H new ATOM 0 HB THR A 22 10.639 10.850 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.661 12.176 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.948 12.104 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.750 10.592 7.128 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.863 10.673 5.588 1.00 0.00 H new ATOM 344 N CYS A 23 8.315 7.769 7.622 1.00 0.00 N ATOM 345 CA CYS A 23 7.214 7.152 8.349 1.00 0.00 C ATOM 346 C CYS A 23 7.597 5.764 8.914 1.00 0.00 C ATOM 347 O CYS A 23 7.712 4.806 8.147 1.00 0.00 O ATOM 348 CB CYS A 23 5.965 7.105 7.449 1.00 0.00 C ATOM 349 SG CYS A 23 4.830 8.495 7.688 1.00 0.00 S ATOM 0 H CYS A 23 8.324 7.532 6.630 1.00 0.00 H new ATOM 0 HA CYS A 23 6.980 7.764 9.220 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.282 7.084 6.406 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.429 6.175 7.638 1.00 0.00 H new ATOM 0 HG CYS A 23 4.372 8.885 6.535 1.00 0.00 H new ATOM 354 N PRO A 24 7.730 5.609 10.242 1.00 0.00 N ATOM 355 CA PRO A 24 7.976 4.313 10.859 1.00 0.00 C ATOM 356 C PRO A 24 6.772 3.368 10.720 1.00 0.00 C ATOM 357 O PRO A 24 6.972 2.158 10.616 1.00 0.00 O ATOM 358 CB PRO A 24 8.329 4.619 12.317 1.00 0.00 C ATOM 359 CG PRO A 24 7.614 5.935 12.600 1.00 0.00 C ATOM 360 CD PRO A 24 7.652 6.649 11.257 1.00 0.00 C ATOM 0 HA PRO A 24 8.788 3.779 10.366 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.988 3.828 12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.406 4.712 12.456 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.591 5.772 12.940 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.120 6.509 13.376 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.762 7.262 11.118 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.511 7.317 11.196 1.00 0.00 H new ATOM 368 N TYR A 25 5.535 3.879 10.635 1.00 0.00 N ATOM 369 CA TYR A 25 4.369 3.014 10.458 1.00 0.00 C ATOM 370 C TYR A 25 4.304 2.467 9.029 1.00 0.00 C ATOM 371 O TYR A 25 3.745 1.384 8.831 1.00 0.00 O ATOM 372 CB TYR A 25 3.070 3.743 10.833 1.00 0.00 C ATOM 373 CG TYR A 25 2.932 4.021 12.321 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.615 2.966 13.195 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.129 5.314 12.841 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.497 3.194 14.577 1.00 0.00 C ATOM 377 CE2 TYR A 25 3.023 5.550 14.224 1.00 0.00 C ATOM 378 CZ TYR A 25 2.695 4.492 15.099 1.00 0.00 C ATOM 379 OH TYR A 25 2.559 4.725 16.432 1.00 0.00 O ATOM 0 H TYR A 25 5.322 4.875 10.686 1.00 0.00 H new ATOM 0 HA TYR A 25 4.478 2.168 11.136 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.024 4.687 10.290 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.220 3.145 10.504 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.461 1.972 12.801 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.363 6.130 12.174 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.255 2.377 15.240 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.193 6.542 14.617 1.00 0.00 H new ATOM 0 HH TYR A 25 2.731 5.672 16.618 1.00 0.00 H new ATOM 389 N CYS A 26 4.916 3.152 8.050 1.00 0.00 N ATOM 390 CA CYS A 26 5.160 2.575 6.734 1.00 0.00 C ATOM 391 C CYS A 26 6.171 1.446 6.905 1.00 0.00 C ATOM 392 O CYS A 26 5.912 0.323 6.497 1.00 0.00 O ATOM 393 CB CYS A 26 5.718 3.609 5.751 1.00 0.00 C ATOM 394 SG CYS A 26 4.416 4.757 5.246 1.00 0.00 S ATOM 0 H CYS A 26 5.249 4.110 8.154 1.00 0.00 H new ATOM 0 HA CYS A 26 4.217 2.212 6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.537 4.158 6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.128 3.105 4.876 1.00 0.00 H new ATOM 0 HG CYS A 26 3.949 5.371 6.292 1.00 0.00 H new ATOM 400 N ARG A 27 7.304 1.727 7.554 1.00 0.00 N ATOM 401 CA ARG A 27 8.418 0.795 7.712 1.00 0.00 C ATOM 402 C ARG A 27 8.013 -0.542 8.343 1.00 0.00 C ATOM 403 O ARG A 27 8.518 -1.588 7.933 1.00 0.00 O ATOM 404 CB ARG A 27 9.496 1.492 8.537 1.00 0.00 C ATOM 405 CG ARG A 27 10.897 1.002 8.174 1.00 0.00 C ATOM 406 CD ARG A 27 11.849 1.713 9.135 1.00 0.00 C ATOM 407 NE ARG A 27 13.231 1.810 8.642 1.00 0.00 N ATOM 408 CZ ARG A 27 13.691 2.662 7.716 1.00 0.00 C ATOM 409 NH1 ARG A 27 12.859 3.385 6.972 1.00 0.00 N ATOM 410 NH2 ARG A 27 15.000 2.761 7.509 1.00 0.00 N ATOM 0 H ARG A 27 7.474 2.631 7.994 1.00 0.00 H new ATOM 0 HA ARG A 27 8.793 0.534 6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.435 2.569 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.313 1.315 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.972 -0.080 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.138 1.239 7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.471 2.717 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.850 1.184 10.088 1.00 0.00 H new ATOM 0 HE ARG A 27 13.908 1.163 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.851 3.296 7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.229 4.028 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.647 2.191 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.358 3.407 6.806 1.00 0.00 H new ATOM 424 N ARG A 28 7.095 -0.535 9.314 1.00 0.00 N ATOM 425 CA ARG A 28 6.475 -1.764 9.811 1.00 0.00 C ATOM 426 C ARG A 28 5.767 -2.482 8.690 1.00 0.00 C ATOM 427 O ARG A 28 6.058 -3.644 8.426 1.00 0.00 O ATOM 428 CB ARG A 28 5.471 -1.448 10.916 1.00 0.00 C ATOM 429 CG ARG A 28 4.550 -2.649 11.257 1.00 0.00 C ATOM 430 CD ARG A 28 3.985 -2.511 12.674 1.00 0.00 C ATOM 431 NE ARG A 28 3.253 -3.719 13.082 1.00 0.00 N ATOM 432 CZ ARG A 28 2.984 -4.107 14.333 1.00 0.00 C ATOM 433 NH1 ARG A 28 3.411 -3.406 15.373 1.00 0.00 N ATOM 434 NH2 ARG A 28 2.284 -5.216 14.533 1.00 0.00 N ATOM 0 H ARG A 28 6.764 0.314 9.773 1.00 0.00 H new ATOM 0 HA ARG A 28 7.262 -2.402 10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.010 -1.144 11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.857 -0.601 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.733 -2.703 10.538 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.111 -3.580 11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.799 -2.323 13.375 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.320 -1.649 12.719 1.00 0.00 H new ATOM 0 HE ARG A 28 2.915 -4.324 12.333 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.954 -2.555 15.226 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.196 -3.717 16.320 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.957 -5.763 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.073 -5.522 15.483 1.00 0.00 H new ATOM 448 N ALA A 29 4.779 -1.802 8.115 1.00 0.00 N ATOM 449 CA ALA A 29 3.938 -2.352 7.062 1.00 0.00 C ATOM 450 C ALA A 29 4.788 -2.919 5.922 1.00 0.00 C ATOM 451 O ALA A 29 4.408 -3.933 5.352 1.00 0.00 O ATOM 452 CB ALA A 29 2.957 -1.300 6.545 1.00 0.00 C ATOM 0 H ALA A 29 4.539 -0.844 8.371 1.00 0.00 H new ATOM 0 HA ALA A 29 3.359 -3.172 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.339 -1.734 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.320 -0.963 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.511 -0.451 6.144 1.00 0.00 H new ATOM 458 N GLN A 30 5.939 -2.315 5.625 1.00 0.00 N ATOM 459 CA GLN A 30 6.944 -2.798 4.713 1.00 0.00 C ATOM 460 C GLN A 30 7.438 -4.175 5.060 1.00 0.00 C ATOM 461 O GLN A 30 7.510 -5.022 4.178 1.00 0.00 O ATOM 462 CB GLN A 30 8.150 -1.838 4.716 1.00 0.00 C ATOM 463 CG GLN A 30 8.348 -1.202 3.352 1.00 0.00 C ATOM 464 CD GLN A 30 8.276 0.318 3.493 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.215 0.888 3.715 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.410 0.999 3.479 1.00 0.00 N ATOM 0 H GLN A 30 6.198 -1.423 6.047 1.00 0.00 H new ATOM 0 HA GLN A 30 6.475 -2.846 3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.997 -1.060 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.051 -2.382 5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.312 -1.496 2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.583 -1.552 2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.291 0.519 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.404 2.004 3.654 1.00 0.00 H new ATOM 475 N GLU A 31 7.875 -4.374 6.296 1.00 0.00 N ATOM 476 CA GLU A 31 8.411 -5.645 6.716 1.00 0.00 C ATOM 477 C GLU A 31 7.287 -6.653 6.681 1.00 0.00 C ATOM 478 O GLU A 31 7.392 -7.654 5.993 1.00 0.00 O ATOM 479 CB GLU A 31 9.010 -5.530 8.127 1.00 0.00 C ATOM 480 CG GLU A 31 10.457 -6.007 8.122 1.00 0.00 C ATOM 481 CD GLU A 31 10.894 -6.477 9.507 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.842 -5.658 10.457 1.00 0.00 O ATOM 483 OE2 GLU A 31 11.278 -7.660 9.642 1.00 0.00 O ATOM 0 H GLU A 31 7.865 -3.660 7.025 1.00 0.00 H new ATOM 0 HA GLU A 31 9.213 -5.964 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.961 -4.496 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.425 -6.125 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.570 -6.822 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.107 -5.198 7.789 1.00 0.00 H new ATOM 490 N ILE A 32 6.190 -6.333 7.356 1.00 0.00 N ATOM 491 CA ILE A 32 4.983 -7.128 7.438 1.00 0.00 C ATOM 492 C ILE A 32 4.560 -7.616 6.061 1.00 0.00 C ATOM 493 O ILE A 32 4.271 -8.804 5.902 1.00 0.00 O ATOM 494 CB ILE A 32 3.916 -6.256 8.122 1.00 0.00 C ATOM 495 CG1 ILE A 32 4.107 -6.390 9.647 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.489 -6.556 7.660 1.00 0.00 C ATOM 497 CD1 ILE A 32 3.015 -5.733 10.488 1.00 0.00 C ATOM 0 H ILE A 32 6.120 -5.465 7.887 1.00 0.00 H new ATOM 0 HA ILE A 32 5.140 -8.032 8.026 1.00 0.00 H new ATOM 0 HB ILE A 32 4.057 -5.216 7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.155 -7.449 9.902 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.068 -5.953 9.919 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.792 -5.903 8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.410 -6.383 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.247 -7.596 7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.233 -5.878 11.546 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.979 -4.666 10.268 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.052 -6.185 10.251 1.00 0.00 H new ATOM 509 N LEU A 33 4.475 -6.706 5.086 1.00 0.00 N ATOM 510 CA LEU A 33 4.028 -7.108 3.772 1.00 0.00 C ATOM 511 C LEU A 33 5.152 -7.910 3.116 1.00 0.00 C ATOM 512 O LEU A 33 4.865 -8.973 2.565 1.00 0.00 O ATOM 513 CB LEU A 33 3.576 -5.933 2.878 1.00 0.00 C ATOM 514 CG LEU A 33 2.064 -5.613 2.931 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.743 -4.466 1.976 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.191 -6.814 2.522 1.00 0.00 C ATOM 0 H LEU A 33 4.705 -5.717 5.186 1.00 0.00 H new ATOM 0 HA LEU A 33 3.134 -7.720 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.131 -5.041 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.849 -6.156 1.846 1.00 0.00 H new ATOM 0 HG LEU A 33 1.840 -5.350 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.676 -4.245 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.308 -3.581 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.015 -4.752 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.139 -6.534 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.435 -7.110 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.380 -7.648 3.197 1.00 0.00 H new ATOM 528 N SER A 34 6.414 -7.452 3.187 1.00 0.00 N ATOM 529 CA SER A 34 7.515 -8.243 2.624 1.00 0.00 C ATOM 530 C SER A 34 7.750 -9.620 3.281 1.00 0.00 C ATOM 531 O SER A 34 8.389 -10.464 2.643 1.00 0.00 O ATOM 532 CB SER A 34 8.804 -7.420 2.616 1.00 0.00 C ATOM 533 OG SER A 34 8.703 -6.419 1.618 1.00 0.00 O ATOM 0 H SER A 34 6.689 -6.568 3.614 1.00 0.00 H new ATOM 0 HA SER A 34 7.205 -8.477 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.966 -6.964 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.661 -8.064 2.419 1.00 0.00 H new ATOM 0 HG SER A 34 9.524 -5.885 1.606 1.00 0.00 H new ATOM 539 N GLN A 35 7.225 -9.910 4.475 1.00 0.00 N ATOM 540 CA GLN A 35 7.391 -11.202 5.147 1.00 0.00 C ATOM 541 C GLN A 35 6.534 -12.264 4.455 1.00 0.00 C ATOM 542 O GLN A 35 6.891 -13.445 4.449 1.00 0.00 O ATOM 543 CB GLN A 35 6.913 -11.106 6.611 1.00 0.00 C ATOM 544 CG GLN A 35 7.903 -10.450 7.584 1.00 0.00 C ATOM 545 CD GLN A 35 7.310 -10.269 8.986 1.00 0.00 C ATOM 546 OE1 GLN A 35 6.115 -10.032 9.162 1.00 0.00 O ATOM 547 NE2 GLN A 35 8.122 -10.384 10.021 1.00 0.00 N ATOM 0 H GLN A 35 6.665 -9.245 5.009 1.00 0.00 H new ATOM 0 HA GLN A 35 8.447 -11.470 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.980 -10.544 6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.689 -12.111 6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.803 -11.061 7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.205 -9.479 7.192 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.112 -10.580 9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.759 -10.276 10.968 1.00 0.00 H new ATOM 556 N LEU A 36 5.395 -11.850 3.893 1.00 0.00 N ATOM 557 CA LEU A 36 4.448 -12.727 3.234 1.00 0.00 C ATOM 558 C LEU A 36 4.973 -13.032 1.817 1.00 0.00 C ATOM 559 O LEU A 36 5.467 -12.119 1.149 1.00 0.00 O ATOM 560 CB LEU A 36 3.073 -12.040 3.206 1.00 0.00 C ATOM 561 CG LEU A 36 2.443 -11.716 4.575 1.00 0.00 C ATOM 562 CD1 LEU A 36 1.050 -11.105 4.366 1.00 0.00 C ATOM 563 CD2 LEU A 36 2.328 -12.945 5.481 1.00 0.00 C ATOM 0 H LEU A 36 5.107 -10.871 3.888 1.00 0.00 H new ATOM 0 HA LEU A 36 4.338 -13.671 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.166 -11.111 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.383 -12.678 2.654 1.00 0.00 H new ATOM 0 HG LEU A 36 3.104 -11.007 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.604 -10.876 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.138 -10.189 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.417 -11.815 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.878 -12.656 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.704 -13.697 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.320 -13.358 5.661 1.00 0.00 H new ATOM 575 N PRO A 37 4.913 -14.286 1.328 1.00 0.00 N ATOM 576 CA PRO A 37 5.498 -14.701 0.048 1.00 0.00 C ATOM 577 C PRO A 37 4.650 -14.270 -1.160 1.00 0.00 C ATOM 578 O PRO A 37 4.151 -15.104 -1.917 1.00 0.00 O ATOM 579 CB PRO A 37 5.676 -16.221 0.162 1.00 0.00 C ATOM 580 CG PRO A 37 4.605 -16.655 1.157 1.00 0.00 C ATOM 581 CD PRO A 37 4.449 -15.444 2.074 1.00 0.00 C ATOM 0 HA PRO A 37 6.454 -14.211 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.543 -16.710 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.674 -16.479 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.669 -16.901 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.911 -17.541 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.409 -15.318 2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.030 -15.574 2.987 1.00 0.00 H new ATOM 589 N ILE A 38 4.463 -12.960 -1.342 1.00 0.00 N ATOM 590 CA ILE A 38 3.753 -12.392 -2.483 1.00 0.00 C ATOM 591 C ILE A 38 4.601 -12.683 -3.729 1.00 0.00 C ATOM 592 O ILE A 38 5.834 -12.713 -3.654 1.00 0.00 O ATOM 593 CB ILE A 38 3.587 -10.859 -2.250 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.374 -10.514 -1.361 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.368 -10.053 -3.540 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.761 -10.433 0.105 1.00 0.00 C ATOM 0 H ILE A 38 4.807 -12.256 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 38 2.760 -12.822 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 38 4.531 -10.589 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.948 -9.562 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.599 -11.269 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.261 -8.996 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.223 -10.187 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.464 -10.403 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.881 -10.188 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.163 -11.393 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.517 -9.659 0.240 1.00 0.00 H new ATOM 608 N LYS A 39 3.951 -12.831 -4.890 1.00 0.00 N ATOM 609 CA LYS A 39 4.611 -12.965 -6.172 1.00 0.00 C ATOM 610 C LYS A 39 5.592 -11.815 -6.380 1.00 0.00 C ATOM 611 O LYS A 39 5.203 -10.649 -6.299 1.00 0.00 O ATOM 612 CB LYS A 39 3.605 -13.073 -7.321 1.00 0.00 C ATOM 613 CG LYS A 39 3.246 -14.530 -7.643 1.00 0.00 C ATOM 614 CD LYS A 39 4.307 -15.288 -8.449 1.00 0.00 C ATOM 615 CE LYS A 39 4.396 -14.781 -9.892 1.00 0.00 C ATOM 616 NZ LYS A 39 5.452 -15.487 -10.637 1.00 0.00 N ATOM 0 H LYS A 39 2.933 -12.860 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 39 5.176 -13.897 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.699 -12.526 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.019 -12.598 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.071 -15.062 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.308 -14.545 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.278 -15.179 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.070 -16.352 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.437 -14.923 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.600 -13.710 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.491 -15.125 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.369 -15.330 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.243 -16.506 -10.655 1.00 0.00 H new ATOM 630 N GLN A 40 6.852 -12.148 -6.639 1.00 0.00 N ATOM 631 CA GLN A 40 7.918 -11.180 -6.832 1.00 0.00 C ATOM 632 C GLN A 40 7.487 -10.183 -7.907 1.00 0.00 C ATOM 633 O GLN A 40 7.079 -10.591 -8.997 1.00 0.00 O ATOM 634 CB GLN A 40 9.202 -11.918 -7.237 1.00 0.00 C ATOM 635 CG GLN A 40 10.420 -10.982 -7.306 1.00 0.00 C ATOM 636 CD GLN A 40 11.593 -11.616 -8.044 1.00 0.00 C ATOM 637 OE1 GLN A 40 12.190 -10.997 -8.921 1.00 0.00 O ATOM 638 NE2 GLN A 40 11.955 -12.851 -7.746 1.00 0.00 N ATOM 0 H GLN A 40 7.163 -13.116 -6.721 1.00 0.00 H new ATOM 0 HA GLN A 40 8.116 -10.633 -5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.400 -12.716 -6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.055 -12.391 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.136 -10.056 -7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.730 -10.717 -6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.460 -13.366 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.730 -13.290 -8.244 1.00 0.00 H new ATOM 647 N GLY A 41 7.580 -8.891 -7.605 1.00 0.00 N ATOM 648 CA GLY A 41 7.219 -7.811 -8.507 1.00 0.00 C ATOM 649 C GLY A 41 5.854 -7.220 -8.173 1.00 0.00 C ATOM 650 O GLY A 41 5.630 -6.050 -8.483 1.00 0.00 O ATOM 0 H GLY A 41 7.918 -8.562 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.975 -7.028 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.213 -8.182 -9.532 1.00 0.00 H new ATOM 654 N LEU A 42 4.954 -7.956 -7.504 1.00 0.00 N ATOM 655 CA LEU A 42 3.646 -7.412 -7.207 1.00 0.00 C ATOM 656 C LEU A 42 3.736 -6.377 -6.093 1.00 0.00 C ATOM 657 O LEU A 42 2.964 -5.425 -6.126 1.00 0.00 O ATOM 658 CB LEU A 42 2.658 -8.479 -6.744 1.00 0.00 C ATOM 659 CG LEU A 42 2.295 -9.630 -7.691 1.00 0.00 C ATOM 660 CD1 LEU A 42 0.940 -10.185 -7.246 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.208 -9.274 -9.167 1.00 0.00 C ATOM 0 H LEU A 42 5.114 -8.907 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 42 3.292 -6.968 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.057 -8.920 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.731 -7.972 -6.475 1.00 0.00 H new ATOM 0 HG LEU A 42 3.111 -10.349 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.651 -11.008 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.014 -10.546 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.189 -9.397 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.945 -10.163 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.445 -8.510 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.171 -8.894 -9.507 1.00 0.00 H new ATOM 673 N LEU A 43 4.585 -6.594 -5.081 1.00 0.00 N ATOM 674 CA LEU A 43 4.629 -5.745 -3.895 1.00 0.00 C ATOM 675 C LEU A 43 5.513 -4.546 -4.207 1.00 0.00 C ATOM 676 O LEU A 43 6.731 -4.715 -4.285 1.00 0.00 O ATOM 677 CB LEU A 43 5.126 -6.503 -2.645 1.00 0.00 C ATOM 678 CG LEU A 43 4.484 -6.056 -1.309 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.102 -4.572 -1.209 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.264 -6.932 -0.998 1.00 0.00 C ATOM 0 H LEU A 43 5.257 -7.362 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 43 3.619 -5.415 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.935 -7.567 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.206 -6.380 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 43 5.270 -6.189 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.662 -4.375 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.993 -3.957 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.379 -4.329 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.817 -6.612 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.532 -6.834 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.575 -7.973 -0.917 1.00 0.00 H new ATOM 692 N GLU A 44 4.937 -3.359 -4.398 1.00 0.00 N ATOM 693 CA GLU A 44 5.718 -2.166 -4.663 1.00 0.00 C ATOM 694 C GLU A 44 5.323 -1.025 -3.735 1.00 0.00 C ATOM 695 O GLU A 44 4.200 -0.520 -3.767 1.00 0.00 O ATOM 696 CB GLU A 44 5.698 -1.820 -6.147 1.00 0.00 C ATOM 697 CG GLU A 44 6.862 -0.853 -6.366 1.00 0.00 C ATOM 698 CD GLU A 44 7.242 -0.754 -7.834 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.439 -0.246 -8.649 1.00 0.00 O ATOM 700 OE2 GLU A 44 8.359 -1.203 -8.176 1.00 0.00 O ATOM 0 H GLU A 44 3.929 -3.205 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 44 6.764 -2.364 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.813 -2.715 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.750 -1.361 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.590 0.134 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.725 -1.185 -5.788 1.00 0.00 H new ATOM 707 N PHE A 45 6.279 -0.635 -2.893 1.00 0.00 N ATOM 708 CA PHE A 45 6.184 0.487 -1.980 1.00 0.00 C ATOM 709 C PHE A 45 6.554 1.743 -2.773 1.00 0.00 C ATOM 710 O PHE A 45 7.715 1.929 -3.145 1.00 0.00 O ATOM 711 CB PHE A 45 7.100 0.236 -0.771 1.00 0.00 C ATOM 712 CG PHE A 45 6.795 -1.072 -0.057 1.00 0.00 C ATOM 713 CD1 PHE A 45 5.678 -1.171 0.795 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.599 -2.206 -0.282 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.360 -2.396 1.409 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.287 -3.426 0.342 1.00 0.00 C ATOM 717 CZ PHE A 45 6.171 -3.523 1.188 1.00 0.00 C ATOM 0 H PHE A 45 7.176 -1.117 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 45 5.179 0.617 -1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.138 0.229 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.997 1.061 -0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.063 -0.302 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.457 -2.138 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.494 -2.471 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.908 -4.292 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.936 -4.461 1.668 1.00 0.00 H new ATOM 727 N VAL A 46 5.556 2.551 -3.112 1.00 0.00 N ATOM 728 CA VAL A 46 5.655 3.794 -3.852 1.00 0.00 C ATOM 729 C VAL A 46 5.806 4.908 -2.821 1.00 0.00 C ATOM 730 O VAL A 46 4.990 5.036 -1.913 1.00 0.00 O ATOM 731 CB VAL A 46 4.390 4.005 -4.699 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.530 5.282 -5.537 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.124 2.819 -5.639 1.00 0.00 C ATOM 0 H VAL A 46 4.592 2.336 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 46 6.505 3.783 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 46 3.549 4.092 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.630 5.425 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.667 6.138 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.393 5.192 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.221 3.010 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.970 2.694 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.992 1.911 -5.051 1.00 0.00 H new ATOM 743 N ASP A 47 6.839 5.724 -2.939 1.00 0.00 N ATOM 744 CA ASP A 47 7.073 6.816 -2.011 1.00 0.00 C ATOM 745 C ASP A 47 6.226 8.041 -2.385 1.00 0.00 C ATOM 746 O ASP A 47 6.231 8.471 -3.543 1.00 0.00 O ATOM 747 CB ASP A 47 8.571 7.097 -2.007 1.00 0.00 C ATOM 748 CG ASP A 47 9.005 7.829 -0.752 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.227 8.662 -0.242 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.135 7.544 -0.290 1.00 0.00 O ATOM 0 H ASP A 47 7.537 5.648 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 47 6.763 6.552 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.117 6.157 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.831 7.692 -2.883 1.00 0.00 H new ATOM 755 N ILE A 48 5.471 8.613 -1.436 1.00 0.00 N ATOM 756 CA ILE A 48 4.774 9.894 -1.618 1.00 0.00 C ATOM 757 C ILE A 48 5.768 11.035 -1.847 1.00 0.00 C ATOM 758 O ILE A 48 5.403 12.066 -2.403 1.00 0.00 O ATOM 759 CB ILE A 48 3.829 10.236 -0.437 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.567 10.528 0.893 1.00 0.00 C ATOM 761 CG2 ILE A 48 2.755 9.141 -0.271 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.646 10.971 2.036 1.00 0.00 C ATOM 0 H ILE A 48 5.326 8.198 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 48 4.153 9.780 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 48 3.337 11.173 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.106 9.632 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.312 11.304 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.100 9.397 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.166 9.067 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.238 8.184 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.240 11.155 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.126 11.885 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.916 10.187 2.240 1.00 0.00 H new ATOM 774 N THR A 49 7.006 10.871 -1.396 1.00 0.00 N ATOM 775 CA THR A 49 8.064 11.854 -1.418 1.00 0.00 C ATOM 776 C THR A 49 9.321 11.143 -1.945 1.00 0.00 C ATOM 777 O THR A 49 10.423 11.272 -1.406 1.00 0.00 O ATOM 778 CB THR A 49 8.099 12.525 -0.028 1.00 0.00 C ATOM 779 OG1 THR A 49 8.805 13.745 -0.026 1.00 0.00 O ATOM 780 CG2 THR A 49 8.530 11.645 1.148 1.00 0.00 C ATOM 0 H THR A 49 7.309 9.990 -0.981 1.00 0.00 H new ATOM 0 HA THR A 49 7.936 12.696 -2.099 1.00 0.00 H new ATOM 0 HB THR A 49 7.043 12.725 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.795 14.127 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.513 12.232 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.844 10.803 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.540 11.273 0.973 1.00 0.00 H new ATOM 826 N HIS A 53 5.523 16.144 -4.945 1.00 0.00 N ATOM 827 CA HIS A 53 4.081 15.856 -5.002 1.00 0.00 C ATOM 828 C HIS A 53 3.439 15.281 -3.729 1.00 0.00 C ATOM 829 O HIS A 53 2.222 15.148 -3.747 1.00 0.00 O ATOM 830 CB HIS A 53 3.704 15.004 -6.238 1.00 0.00 C ATOM 831 CG HIS A 53 3.510 15.775 -7.516 1.00 0.00 C ATOM 832 ND1 HIS A 53 2.429 16.571 -7.847 1.00 0.00 N ATOM 833 CD2 HIS A 53 4.309 15.690 -8.621 1.00 0.00 C ATOM 834 CE1 HIS A 53 2.587 16.961 -9.118 1.00 0.00 C ATOM 835 NE2 HIS A 53 3.737 16.480 -9.624 1.00 0.00 N ATOM 0 HA HIS A 53 3.646 16.851 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.484 14.259 -6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.785 14.461 -6.018 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.652 16.817 -7.234 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.220 15.115 -8.705 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.887 17.577 -9.663 1.00 0.00 H new ATOM 843 N THR A 54 4.158 14.986 -2.636 1.00 0.00 N ATOM 844 CA THR A 54 3.609 14.378 -1.410 1.00 0.00 C ATOM 845 C THR A 54 2.277 14.994 -1.034 1.00 0.00 C ATOM 846 O THR A 54 1.286 14.290 -0.934 1.00 0.00 O ATOM 847 CB THR A 54 4.584 14.351 -0.214 1.00 0.00 C ATOM 848 OG1 THR A 54 4.003 14.498 1.075 1.00 0.00 O ATOM 849 CG2 THR A 54 5.703 15.365 -0.288 1.00 0.00 C ATOM 0 H THR A 54 5.160 15.167 -2.576 1.00 0.00 H new ATOM 0 HA THR A 54 3.446 13.330 -1.661 1.00 0.00 H new ATOM 0 HB THR A 54 4.969 13.337 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.706 14.465 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.337 15.272 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.298 15.185 -1.183 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.282 16.370 -0.328 1.00 0.00 H new ATOM 857 N ASN A 55 2.291 16.285 -0.739 1.00 0.00 N ATOM 858 CA ASN A 55 1.097 17.045 -0.354 1.00 0.00 C ATOM 859 C ASN A 55 -0.083 16.801 -1.319 1.00 0.00 C ATOM 860 O ASN A 55 -1.179 16.433 -0.896 1.00 0.00 O ATOM 861 CB ASN A 55 1.455 18.531 -0.220 1.00 0.00 C ATOM 862 CG ASN A 55 0.372 19.333 0.492 1.00 0.00 C ATOM 863 OD1 ASN A 55 -0.534 18.792 1.125 1.00 0.00 O ATOM 864 ND2 ASN A 55 0.506 20.646 0.518 1.00 0.00 N ATOM 0 H ASN A 55 3.141 16.848 -0.759 1.00 0.00 H new ATOM 0 HA ASN A 55 0.753 16.690 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.392 18.627 0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.621 18.952 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.142 21.214 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.258 21.092 -0.007 1.00 0.00 H new ATOM 871 N GLU A 56 0.159 16.889 -2.627 1.00 0.00 N ATOM 872 CA GLU A 56 -0.807 16.619 -3.689 1.00 0.00 C ATOM 873 C GLU A 56 -1.257 15.151 -3.745 1.00 0.00 C ATOM 874 O GLU A 56 -2.349 14.843 -4.225 1.00 0.00 O ATOM 875 CB GLU A 56 -0.146 16.990 -5.034 1.00 0.00 C ATOM 876 CG GLU A 56 -0.970 17.982 -5.859 1.00 0.00 C ATOM 877 CD GLU A 56 -1.219 17.440 -7.262 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.364 17.641 -8.148 1.00 0.00 O ATOM 879 OE2 GLU A 56 -2.268 16.786 -7.476 1.00 0.00 O ATOM 0 H GLU A 56 1.073 17.162 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.699 17.213 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.838 17.417 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.009 16.083 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.922 18.173 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.446 18.936 -5.920 1.00 0.00 H new ATOM 886 N ILE A 57 -0.395 14.229 -3.322 1.00 0.00 N ATOM 887 CA ILE A 57 -0.609 12.787 -3.293 1.00 0.00 C ATOM 888 C ILE A 57 -1.414 12.454 -2.028 1.00 0.00 C ATOM 889 O ILE A 57 -2.243 11.552 -2.037 1.00 0.00 O ATOM 890 CB ILE A 57 0.788 12.106 -3.346 1.00 0.00 C ATOM 891 CG1 ILE A 57 1.262 12.013 -4.812 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.803 10.710 -2.701 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.768 11.767 -4.966 1.00 0.00 C ATOM 0 H ILE A 57 0.527 14.486 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.184 12.418 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 57 1.469 12.727 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.720 11.208 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.001 12.937 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.806 10.288 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.515 10.790 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.099 10.061 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.022 11.714 -6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.320 12.584 -4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.035 10.828 -4.482 1.00 0.00 H new ATOM 905 N GLN A 58 -1.182 13.183 -0.943 1.00 0.00 N ATOM 906 CA GLN A 58 -1.757 13.012 0.373 1.00 0.00 C ATOM 907 C GLN A 58 -3.224 13.440 0.303 1.00 0.00 C ATOM 908 O GLN A 58 -4.111 12.670 0.668 1.00 0.00 O ATOM 909 CB GLN A 58 -0.945 13.898 1.335 1.00 0.00 C ATOM 910 CG GLN A 58 0.207 13.156 2.017 1.00 0.00 C ATOM 911 CD GLN A 58 -0.350 12.234 3.087 1.00 0.00 C ATOM 912 OE1 GLN A 58 -0.909 12.702 4.078 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.241 10.933 2.912 1.00 0.00 N ATOM 0 H GLN A 58 -0.534 13.970 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.721 11.980 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.544 14.748 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.612 14.299 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.769 12.580 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.901 13.869 2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.227 10.567 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.624 10.291 3.606 1.00 0.00 H new ATOM 922 N ASP A 59 -3.472 14.636 -0.235 1.00 0.00 N ATOM 923 CA ASP A 59 -4.790 15.135 -0.631 1.00 0.00 C ATOM 924 C ASP A 59 -5.563 14.079 -1.403 1.00 0.00 C ATOM 925 O ASP A 59 -6.694 13.718 -1.082 1.00 0.00 O ATOM 926 CB ASP A 59 -4.577 16.323 -1.566 1.00 0.00 C ATOM 927 CG ASP A 59 -5.889 16.987 -1.971 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.660 17.449 -1.097 1.00 0.00 O ATOM 929 OD2 ASP A 59 -6.127 17.113 -3.190 1.00 0.00 O ATOM 0 H ASP A 59 -2.729 15.311 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.349 15.406 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.937 17.057 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.051 15.988 -2.460 1.00 0.00 H new ATOM 934 N TYR A 60 -4.895 13.582 -2.436 1.00 0.00 N ATOM 935 CA TYR A 60 -5.448 12.580 -3.330 1.00 0.00 C ATOM 936 C TYR A 60 -5.779 11.269 -2.624 1.00 0.00 C ATOM 937 O TYR A 60 -6.829 10.697 -2.890 1.00 0.00 O ATOM 938 CB TYR A 60 -4.508 12.324 -4.499 1.00 0.00 C ATOM 939 CG TYR A 60 -5.218 11.628 -5.633 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.123 12.359 -6.419 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.067 10.244 -5.833 1.00 0.00 C ATOM 942 CE1 TYR A 60 -6.896 11.712 -7.388 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.823 9.589 -6.820 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.762 10.321 -7.578 1.00 0.00 C ATOM 945 OH TYR A 60 -7.526 9.691 -8.504 1.00 0.00 O ATOM 0 H TYR A 60 -3.946 13.867 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.388 12.986 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.097 13.270 -4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.667 11.715 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.222 13.425 -6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.369 9.684 -5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.594 12.276 -7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.686 8.532 -6.997 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.732 10.311 -9.235 1.00 0.00 H new ATOM 955 N LEU A 61 -4.921 10.775 -1.728 1.00 0.00 N ATOM 956 CA LEU A 61 -5.191 9.567 -0.949 1.00 0.00 C ATOM 957 C LEU A 61 -6.461 9.755 -0.126 1.00 0.00 C ATOM 958 O LEU A 61 -7.278 8.833 -0.056 1.00 0.00 O ATOM 959 CB LEU A 61 -4.007 9.227 -0.027 1.00 0.00 C ATOM 960 CG LEU A 61 -2.834 8.520 -0.722 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.610 8.546 0.208 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.237 7.097 -1.124 1.00 0.00 C ATOM 0 H LEU A 61 -4.018 11.203 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.329 8.736 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.641 10.148 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.366 8.594 0.784 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.567 9.042 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.773 8.046 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.339 9.579 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.849 8.031 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.397 6.606 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.517 6.533 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.084 7.138 -1.808 1.00 0.00 H new ATOM 974 N GLN A 62 -6.647 10.948 0.448 1.00 0.00 N ATOM 975 CA GLN A 62 -7.854 11.335 1.162 1.00 0.00 C ATOM 976 C GLN A 62 -9.061 11.177 0.240 1.00 0.00 C ATOM 977 O GLN A 62 -10.020 10.500 0.604 1.00 0.00 O ATOM 978 CB GLN A 62 -7.692 12.772 1.694 1.00 0.00 C ATOM 979 CG GLN A 62 -8.348 13.016 3.060 1.00 0.00 C ATOM 980 CD GLN A 62 -7.650 14.144 3.827 1.00 0.00 C ATOM 981 OE1 GLN A 62 -7.098 15.087 3.265 1.00 0.00 O ATOM 982 NE2 GLN A 62 -7.625 14.075 5.142 1.00 0.00 N ATOM 0 H GLN A 62 -5.942 11.684 0.425 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.020 10.688 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.629 13.002 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.119 13.466 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.399 13.267 2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.315 12.100 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.079 13.297 5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.151 14.799 5.682 1.00 0.00 H new ATOM 991 N GLN A 63 -8.987 11.741 -0.965 1.00 0.00 N ATOM 992 CA GLN A 63 -10.047 11.698 -1.962 1.00 0.00 C ATOM 993 C GLN A 63 -10.357 10.269 -2.401 1.00 0.00 C ATOM 994 O GLN A 63 -11.524 9.895 -2.535 1.00 0.00 O ATOM 995 CB GLN A 63 -9.637 12.578 -3.157 1.00 0.00 C ATOM 996 CG GLN A 63 -10.830 13.333 -3.758 1.00 0.00 C ATOM 997 CD GLN A 63 -10.358 14.537 -4.567 1.00 0.00 C ATOM 998 OE1 GLN A 63 -10.374 14.531 -5.795 1.00 0.00 O ATOM 999 NE2 GLN A 63 -9.884 15.575 -3.902 1.00 0.00 N ATOM 0 H GLN A 63 -8.163 12.254 -1.280 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.965 12.087 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.881 13.294 -2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.180 11.954 -3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.405 12.663 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.496 13.663 -2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.877 15.567 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.525 16.385 -4.408 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.325 9.481 -2.691 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.457 8.171 -3.314 1.00 0.00 C ATOM 1010 C LEU A 64 -9.941 7.160 -2.269 1.00 0.00 C ATOM 1011 O LEU A 64 -10.764 6.313 -2.609 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.113 7.798 -3.974 1.00 0.00 C ATOM 1013 CG LEU A 64 -7.832 6.304 -4.209 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -8.774 5.698 -5.253 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.397 6.159 -4.724 1.00 0.00 C ATOM 0 H LEU A 64 -8.358 9.741 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.206 8.173 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.057 8.307 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.311 8.199 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.984 5.780 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.539 4.642 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.805 5.800 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.650 6.220 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.177 5.106 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.288 6.711 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.703 6.557 -3.984 1.00 0.00 H new ATOM 1027 N THR A 65 -9.476 7.232 -1.013 1.00 0.00 N ATOM 1028 CA THR A 65 -9.726 6.175 -0.027 1.00 0.00 C ATOM 1029 C THR A 65 -10.644 6.597 1.122 1.00 0.00 C ATOM 1030 O THR A 65 -11.324 5.747 1.703 1.00 0.00 O ATOM 1031 CB THR A 65 -8.406 5.602 0.516 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.689 6.543 1.288 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.469 5.105 -0.574 1.00 0.00 C ATOM 0 H THR A 65 -8.924 8.013 -0.658 1.00 0.00 H new ATOM 0 HA THR A 65 -10.262 5.395 -0.567 1.00 0.00 H new ATOM 0 HB THR A 65 -8.720 4.761 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.405 7.287 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.558 4.714 -0.120 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.959 4.315 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.217 5.929 -1.241 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.655 7.880 1.485 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.360 8.413 2.640 1.00 0.00 C ATOM 1043 C GLY A 66 -10.418 8.803 3.779 1.00 0.00 C ATOM 1044 O GLY A 66 -10.880 9.371 4.769 1.00 0.00 O ATOM 0 H GLY A 66 -10.154 8.598 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.937 9.286 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.071 7.670 3.001 1.00 0.00 H new ATOM 1048 N ALA A 67 -9.109 8.540 3.672 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.117 9.058 4.604 1.00 0.00 C ATOM 1050 C ALA A 67 -6.795 9.280 3.876 1.00 0.00 C ATOM 1051 O ALA A 67 -6.461 8.539 2.955 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.923 8.082 5.766 1.00 0.00 C ATOM 0 H ALA A 67 -8.714 7.960 2.932 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.467 10.009 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.179 8.481 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.869 7.948 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.582 7.121 5.381 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.031 10.294 4.284 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.717 10.564 3.696 1.00 0.00 C ATOM 1060 C ARG A 68 -3.622 9.734 4.348 1.00 0.00 C ATOM 1061 O ARG A 68 -2.526 9.652 3.797 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.373 12.063 3.764 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.061 12.622 5.160 1.00 0.00 C ATOM 1064 CD ARG A 68 -4.088 14.156 5.161 1.00 0.00 C ATOM 1065 NE ARG A 68 -3.105 14.779 4.257 1.00 0.00 N ATOM 1066 CZ ARG A 68 -3.307 15.891 3.530 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -4.538 16.316 3.248 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -2.256 16.573 3.090 1.00 0.00 N ATOM 0 H ARG A 68 -6.300 10.944 5.022 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.773 10.272 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.513 12.247 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.208 12.626 3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.788 12.242 5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.081 12.272 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.086 14.491 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.907 14.511 6.176 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.194 14.328 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.347 15.795 3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.671 17.162 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.312 16.251 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.392 17.419 2.537 1.00 0.00 H new ATOM 1082 N THR A 69 -3.864 9.193 5.541 1.00 0.00 N ATOM 1083 CA THR A 69 -2.788 8.719 6.389 1.00 0.00 C ATOM 1084 C THR A 69 -2.076 7.548 5.726 1.00 0.00 C ATOM 1085 O THR A 69 -2.715 6.616 5.232 1.00 0.00 O ATOM 1086 CB THR A 69 -3.361 8.353 7.764 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.555 7.598 7.639 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.708 9.623 8.544 1.00 0.00 C ATOM 0 H THR A 69 -4.797 9.075 5.936 1.00 0.00 H new ATOM 0 HA THR A 69 -2.043 9.502 6.532 1.00 0.00 H new ATOM 0 HB THR A 69 -2.602 7.767 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.897 7.377 8.530 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.114 9.352 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.809 10.224 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.449 10.199 7.990 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.749 7.603 5.735 1.00 0.00 N ATOM 1097 CA VAL A 70 0.101 6.572 5.165 1.00 0.00 C ATOM 1098 C VAL A 70 0.360 5.478 6.220 1.00 0.00 C ATOM 1099 O VAL A 70 0.071 5.692 7.403 1.00 0.00 O ATOM 1100 CB VAL A 70 1.388 7.200 4.570 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.148 7.554 3.093 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.893 8.456 5.302 1.00 0.00 C ATOM 0 H VAL A 70 -0.228 8.378 6.145 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.398 6.083 4.328 1.00 0.00 H new ATOM 0 HB VAL A 70 2.164 6.444 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.052 7.996 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.895 6.650 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.327 8.267 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.796 8.823 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.125 9.228 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.117 8.207 6.339 1.00 0.00 H new ATOM 1112 N PRO A 71 0.869 4.297 5.820 1.00 0.00 N ATOM 1113 CA PRO A 71 0.905 3.831 4.438 1.00 0.00 C ATOM 1114 C PRO A 71 -0.526 3.613 3.932 1.00 0.00 C ATOM 1115 O PRO A 71 -1.463 3.555 4.726 1.00 0.00 O ATOM 1116 CB PRO A 71 1.694 2.521 4.470 1.00 0.00 C ATOM 1117 CG PRO A 71 1.394 1.978 5.859 1.00 0.00 C ATOM 1118 CD PRO A 71 1.244 3.227 6.727 1.00 0.00 C ATOM 0 HA PRO A 71 1.372 4.549 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.369 1.834 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.761 2.688 4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.484 1.378 5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.200 1.338 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.484 3.081 7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.176 3.460 7.242 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.717 3.470 2.624 1.00 0.00 N ATOM 1127 CA ARG A 72 -2.001 3.086 2.038 1.00 0.00 C ATOM 1128 C ARG A 72 -1.694 1.910 1.134 1.00 0.00 C ATOM 1129 O ARG A 72 -1.192 2.112 0.029 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.645 4.257 1.271 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.064 5.460 2.136 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.563 5.560 2.470 1.00 0.00 C ATOM 1133 NE ARG A 72 -4.854 5.043 3.809 1.00 0.00 N ATOM 1134 CZ ARG A 72 -6.063 4.804 4.337 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -7.173 5.092 3.667 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -6.153 4.277 5.550 1.00 0.00 N ATOM 0 H ARG A 72 0.019 3.618 1.934 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.730 2.815 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.942 4.603 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.524 3.885 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.505 5.422 3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.765 6.374 1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.882 6.600 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.139 5.002 1.731 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.050 4.843 4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.114 5.502 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.084 4.903 4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.306 4.056 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.069 4.092 5.959 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.892 0.692 1.630 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.772 -0.507 0.815 1.00 0.00 C ATOM 1152 C VAL A 73 -3.008 -0.565 -0.071 1.00 0.00 C ATOM 1153 O VAL A 73 -4.120 -0.466 0.446 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.700 -1.749 1.720 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.811 -3.060 0.923 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.425 -1.798 2.572 1.00 0.00 C ATOM 0 H VAL A 73 -2.139 0.512 2.603 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.866 -0.484 0.210 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.559 -1.656 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.755 -3.907 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.763 -3.084 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.994 -3.119 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.434 -2.697 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.448 -1.813 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.383 -0.918 3.214 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.817 -0.799 -1.367 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.839 -1.161 -2.326 1.00 0.00 C ATOM 1168 C PHE A 74 -3.545 -2.587 -2.764 1.00 0.00 C ATOM 1169 O PHE A 74 -2.600 -2.834 -3.518 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.856 -0.200 -3.519 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.335 1.193 -3.177 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -3.469 2.098 -2.536 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.647 1.585 -3.498 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -3.914 3.393 -2.225 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -6.081 2.887 -3.203 1.00 0.00 C ATOM 1176 CZ PHE A 74 -5.209 3.792 -2.576 1.00 0.00 C ATOM 0 H PHE A 74 -1.892 -0.736 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.829 -1.094 -1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.851 -0.136 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.498 -0.614 -4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.463 1.797 -2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.320 0.885 -3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.257 4.082 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.085 3.193 -3.458 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.538 4.798 -2.364 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.338 -3.532 -2.271 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.361 -4.890 -2.776 1.00 0.00 C ATOM 1188 C ILE A 75 -5.311 -4.827 -3.978 1.00 0.00 C ATOM 1189 O ILE A 75 -6.513 -4.631 -3.812 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.723 -5.874 -1.626 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.477 -6.640 -1.135 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.743 -6.940 -2.043 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.526 -5.829 -0.281 1.00 0.00 C ATOM 0 H ILE A 75 -4.988 -3.370 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.406 -5.285 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.146 -5.243 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.804 -7.509 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.934 -7.015 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.953 -7.594 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.665 -6.455 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.338 -7.530 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.682 -6.452 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.163 -4.974 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.047 -5.476 0.609 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.757 -4.908 -5.194 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.489 -4.953 -6.456 1.00 0.00 C ATOM 1207 C GLY A 76 -6.616 -3.928 -6.530 1.00 0.00 C ATOM 1208 O GLY A 76 -7.790 -4.300 -6.558 1.00 0.00 O ATOM 0 H GLY A 76 -3.746 -4.945 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.795 -4.781 -7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.904 -5.951 -6.593 1.00 0.00 H new ATOM 1212 N LYS A 77 -6.269 -2.640 -6.610 1.00 0.00 N ATOM 1213 CA LYS A 77 -7.166 -1.507 -6.592 1.00 0.00 C ATOM 1214 C LYS A 77 -8.257 -1.531 -5.515 1.00 0.00 C ATOM 1215 O LYS A 77 -9.291 -0.891 -5.703 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.718 -1.318 -8.013 1.00 0.00 C ATOM 1217 CG LYS A 77 -7.894 0.180 -8.257 1.00 0.00 C ATOM 1218 CD LYS A 77 -8.960 0.466 -9.319 1.00 0.00 C ATOM 1219 CE LYS A 77 -9.508 1.896 -9.256 1.00 0.00 C ATOM 1220 NZ LYS A 77 -10.662 2.059 -8.339 1.00 0.00 N ATOM 0 H LYS A 77 -5.293 -2.356 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.586 -0.635 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.035 -1.746 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.670 -1.836 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.172 0.669 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.943 0.610 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.535 0.290 -10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.784 -0.237 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.709 2.567 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.807 2.204 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.977 3.050 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.442 1.445 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.378 1.796 -7.374 1.00 0.00 H new ATOM 1234 N ASP A 78 -8.019 -2.131 -4.350 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.796 -1.822 -3.148 1.00 0.00 C ATOM 1236 C ASP A 78 -7.838 -1.512 -2.009 1.00 0.00 C ATOM 1237 O ASP A 78 -6.892 -2.267 -1.772 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.759 -2.952 -2.771 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.709 -2.529 -1.644 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.980 -1.313 -1.505 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.256 -3.417 -0.951 1.00 0.00 O ATOM 0 H ASP A 78 -7.294 -2.835 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.418 -0.951 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.339 -3.244 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.190 -3.828 -2.459 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.019 -0.364 -1.352 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.195 -0.002 -0.212 1.00 0.00 C ATOM 1248 C CYS A 79 -7.622 -0.839 0.992 1.00 0.00 C ATOM 1249 O CYS A 79 -8.822 -0.979 1.229 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.289 1.502 0.073 1.00 0.00 C ATOM 1251 SG CYS A 79 -5.960 2.002 1.211 1.00 0.00 S ATOM 0 H CYS A 79 -8.730 0.326 -1.595 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.148 -0.213 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.212 2.063 -0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.260 1.738 0.508 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.967 1.169 1.112 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.678 -1.343 1.792 1.00 0.00 N ATOM 1258 CA ILE A 80 -6.951 -2.153 2.963 1.00 0.00 C ATOM 1259 C ILE A 80 -6.511 -1.436 4.251 1.00 0.00 C ATOM 1260 O ILE A 80 -6.424 -2.050 5.313 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.378 -3.560 2.715 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.860 -3.660 2.512 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -7.037 -4.221 1.491 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.074 -3.387 3.787 1.00 0.00 C ATOM 0 H ILE A 80 -5.682 -1.190 1.632 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.019 -2.293 3.129 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.608 -4.072 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.612 -4.656 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.554 -2.951 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.612 -5.213 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.111 -4.307 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.855 -3.611 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.007 -3.472 3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.296 -2.381 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.356 -4.112 4.550 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.212 -0.135 4.165 1.00 0.00 N ATOM 1277 CA GLY A 81 -5.657 0.634 5.264 1.00 0.00 C ATOM 1278 C GLY A 81 -4.136 0.521 5.256 1.00 0.00 C ATOM 1279 O GLY A 81 -3.517 0.408 4.189 1.00 0.00 O ATOM 0 H GLY A 81 -6.354 0.412 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.954 1.679 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.053 0.269 6.212 1.00 0.00 H new ATOM 1283 N GLY A 82 -3.521 0.586 6.439 1.00 0.00 N ATOM 1284 CA GLY A 82 -2.066 0.651 6.514 1.00 0.00 C ATOM 1285 C GLY A 82 -1.459 0.711 7.914 1.00 0.00 C ATOM 1286 O GLY A 82 -0.254 0.506 8.058 1.00 0.00 O ATOM 0 H GLY A 82 -3.999 0.595 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.659 -0.221 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.735 1.529 5.960 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.235 0.919 8.975 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.786 0.850 10.335 1.00 0.00 C ATOM 1292 C CYS A 83 -3.062 0.479 11.070 1.00 0.00 C ATOM 1293 O CYS A 83 -4.166 0.775 10.594 1.00 0.00 O ATOM 1294 CB CYS A 83 -1.149 2.181 10.779 1.00 0.00 C ATOM 1295 SG CYS A 83 -2.366 3.418 11.320 1.00 0.00 S ATOM 0 H CYS A 83 -3.226 1.147 8.893 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.989 0.131 10.525 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -0.452 1.988 11.594 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -0.568 2.591 9.953 1.00 0.00 H new ATOM 0 HG CYS A 83 -1.750 4.505 11.678 1.00 0.00 H new ATOM 1301 N SER A 84 -2.929 -0.219 12.179 1.00 0.00 N ATOM 1302 CA SER A 84 -4.023 -0.925 12.802 1.00 0.00 C ATOM 1303 C SER A 84 -4.618 -2.014 11.903 1.00 0.00 C ATOM 1304 O SER A 84 -4.278 -3.183 12.084 1.00 0.00 O ATOM 1305 CB SER A 84 -5.031 0.064 13.419 1.00 0.00 C ATOM 1306 OG SER A 84 -5.987 -0.576 14.237 1.00 0.00 O ATOM 0 H SER A 84 -2.044 -0.311 12.678 1.00 0.00 H new ATOM 0 HA SER A 84 -3.635 -1.498 13.644 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.492 0.806 14.008 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.543 0.601 12.621 1.00 0.00 H new ATOM 0 HG SER A 84 -6.602 0.092 14.606 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.415 -1.652 10.896 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.128 -2.578 10.015 1.00 0.00 C ATOM 1314 C ASP A 85 -5.146 -3.565 9.414 1.00 0.00 C ATOM 1315 O ASP A 85 -5.327 -4.776 9.498 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.824 -1.800 8.887 1.00 0.00 C ATOM 1317 CG ASP A 85 -8.313 -1.679 9.166 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.716 -0.717 9.858 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -9.082 -2.556 8.715 1.00 0.00 O ATOM 0 H ASP A 85 -5.587 -0.674 10.664 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.878 -3.115 10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.383 -0.807 8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.666 -2.308 7.935 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.057 -3.014 8.886 1.00 0.00 N ATOM 1325 CA LEU A 86 -2.935 -3.706 8.280 1.00 0.00 C ATOM 1326 C LEU A 86 -2.439 -4.851 9.165 1.00 0.00 C ATOM 1327 O LEU A 86 -2.231 -5.964 8.681 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.860 -2.633 8.028 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.719 -2.957 7.053 1.00 0.00 C ATOM 1330 CD1 LEU A 86 0.280 -3.956 7.610 1.00 0.00 C ATOM 1331 CD2 LEU A 86 -1.217 -3.440 5.694 1.00 0.00 C ATOM 0 H LEU A 86 -3.931 -2.002 8.872 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.216 -4.185 7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.364 -1.738 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.413 -2.379 8.989 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.206 -2.005 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.060 -4.141 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.729 -3.554 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.230 -4.891 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.365 -3.653 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.809 -4.346 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.834 -2.666 5.237 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.264 -4.591 10.462 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.777 -5.540 11.425 1.00 0.00 C ATOM 1345 C VAL A 87 -2.814 -6.643 11.613 1.00 0.00 C ATOM 1346 O VAL A 87 -2.419 -7.801 11.513 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.434 -4.772 12.712 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.055 -5.726 13.831 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.279 -3.794 12.449 1.00 0.00 C ATOM 0 H VAL A 87 -2.469 -3.679 10.870 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.867 -6.040 11.093 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.318 -4.214 13.020 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.817 -5.157 14.730 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.890 -6.396 14.036 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.185 -6.311 13.531 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.043 -3.254 13.366 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.599 -4.349 12.118 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.572 -3.084 11.676 1.00 0.00 H new ATOM 1359 N SER A 88 -4.108 -6.340 11.818 1.00 0.00 N ATOM 1360 CA SER A 88 -5.117 -7.399 11.925 1.00 0.00 C ATOM 1361 C SER A 88 -5.064 -8.261 10.684 1.00 0.00 C ATOM 1362 O SER A 88 -5.085 -9.480 10.794 1.00 0.00 O ATOM 1363 CB SER A 88 -6.561 -6.886 11.986 1.00 0.00 C ATOM 1364 OG SER A 88 -7.121 -7.172 13.250 1.00 0.00 O ATOM 0 H SER A 88 -4.471 -5.391 11.911 1.00 0.00 H new ATOM 0 HA SER A 88 -4.880 -7.926 12.850 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.582 -5.811 11.804 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.155 -7.354 11.201 1.00 0.00 H new ATOM 0 HG SER A 88 -8.042 -6.840 13.282 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.042 -7.636 9.510 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.122 -8.367 8.269 1.00 0.00 C ATOM 1372 C LEU A 89 -3.936 -9.341 8.198 1.00 0.00 C ATOM 1373 O LEU A 89 -4.128 -10.454 7.722 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.230 -7.384 7.089 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.496 -6.497 7.092 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -6.279 -5.297 6.177 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -7.742 -7.242 6.619 1.00 0.00 C ATOM 0 H LEU A 89 -4.969 -6.624 9.402 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.024 -8.976 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.352 -6.738 7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.205 -7.952 6.159 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.660 -6.186 8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.172 -4.672 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.428 -4.716 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.081 -5.644 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.599 -6.569 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.588 -7.598 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.930 -8.091 7.276 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.742 -9.000 8.704 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.657 -9.975 8.803 1.00 0.00 C ATOM 1391 C GLN A 90 -2.013 -11.042 9.861 1.00 0.00 C ATOM 1392 O GLN A 90 -1.994 -12.237 9.569 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.311 -9.288 9.134 1.00 0.00 C ATOM 1394 CG GLN A 90 0.854 -10.300 9.079 1.00 0.00 C ATOM 1395 CD GLN A 90 2.174 -9.790 9.663 1.00 0.00 C ATOM 1396 OE1 GLN A 90 2.227 -9.316 10.798 1.00 0.00 O ATOM 1397 NE2 GLN A 90 3.270 -9.929 8.932 1.00 0.00 N ATOM 0 H GLN A 90 -2.509 -8.068 9.046 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.538 -10.464 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.128 -8.479 8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.362 -8.840 10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.559 -11.202 9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.019 -10.587 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.210 -10.323 7.993 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.174 -9.642 9.308 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.288 -10.628 11.103 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.379 -11.466 12.292 1.00 0.00 C ATOM 1408 C GLN A 91 -3.546 -12.461 12.186 1.00 0.00 C ATOM 1409 O GLN A 91 -3.345 -13.665 12.339 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.541 -10.528 13.511 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.487 -10.699 14.611 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.095 -11.132 15.942 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -2.845 -10.382 16.569 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -1.785 -12.329 16.401 1.00 0.00 N ATOM 0 H GLN A 91 -2.462 -9.645 11.311 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.477 -12.068 12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.514 -9.496 13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.527 -10.691 13.946 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.752 -11.439 14.293 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.954 -9.758 14.748 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.162 -12.935 15.866 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.168 -12.649 17.291 1.00 0.00 H new ATOM 1423 N SER A 92 -4.747 -11.946 11.919 1.00 0.00 N ATOM 1424 CA SER A 92 -5.987 -12.662 11.644 1.00 0.00 C ATOM 1425 C SER A 92 -5.934 -13.349 10.269 1.00 0.00 C ATOM 1426 O SER A 92 -6.728 -14.250 9.999 1.00 0.00 O ATOM 1427 CB SER A 92 -7.134 -11.635 11.740 1.00 0.00 C ATOM 1428 OG SER A 92 -8.428 -12.189 11.623 1.00 0.00 O ATOM 0 H SER A 92 -4.885 -10.936 11.888 1.00 0.00 H new ATOM 0 HA SER A 92 -6.146 -13.461 12.368 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.060 -11.115 12.695 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.001 -10.887 10.959 1.00 0.00 H new ATOM 0 HG SER A 92 -8.570 -12.498 10.704 1.00 0.00 H new ATOM 1434 N GLY A 93 -4.986 -12.963 9.410 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.707 -13.638 8.155 1.00 0.00 C ATOM 1436 C GLY A 93 -5.561 -13.147 6.996 1.00 0.00 C ATOM 1437 O GLY A 93 -5.381 -13.644 5.885 1.00 0.00 O ATOM 0 H GLY A 93 -4.384 -12.157 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.655 -13.500 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.866 -14.708 8.285 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.447 -12.160 7.186 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.327 -11.723 6.124 1.00 0.00 C ATOM 1443 C GLU A 94 -6.534 -11.182 4.927 1.00 0.00 C ATOM 1444 O GLU A 94 -6.965 -11.352 3.784 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.221 -10.621 6.688 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.640 -11.087 6.990 1.00 0.00 C ATOM 1447 CD GLU A 94 -9.800 -11.786 8.343 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -8.835 -11.909 9.127 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -10.969 -12.078 8.689 1.00 0.00 O ATOM 0 H GLU A 94 -6.564 -11.658 8.066 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.918 -12.568 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.772 -10.232 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.261 -9.796 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.307 -10.226 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.961 -11.768 6.202 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.378 -10.550 5.186 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.477 -9.995 4.179 1.00 0.00 C ATOM 1458 C LEU A 95 -4.053 -11.082 3.211 1.00 0.00 C ATOM 1459 O LEU A 95 -3.923 -10.815 2.025 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.204 -9.405 4.828 1.00 0.00 C ATOM 1461 CG LEU A 95 -2.433 -8.348 4.014 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -3.311 -7.201 3.493 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -1.357 -7.749 4.934 1.00 0.00 C ATOM 0 H LEU A 95 -5.039 -10.410 6.138 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.015 -9.203 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.485 -8.960 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.523 -10.227 5.048 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.019 -8.849 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.696 -6.499 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.088 -7.604 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.773 -6.685 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.790 -6.995 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.833 -7.289 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.683 -8.538 5.267 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.818 -12.288 3.726 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.290 -13.414 2.985 1.00 0.00 C ATOM 1477 C LEU A 96 -4.294 -13.801 1.903 1.00 0.00 C ATOM 1478 O LEU A 96 -3.959 -13.798 0.720 1.00 0.00 O ATOM 1479 CB LEU A 96 -2.997 -14.554 3.985 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.957 -15.592 3.543 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -2.302 -16.229 2.200 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -0.545 -14.993 3.516 1.00 0.00 C ATOM 0 H LEU A 96 -3.999 -12.507 4.706 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.355 -13.174 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.661 -14.110 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.932 -15.074 4.196 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.977 -16.387 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.534 -16.956 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.267 -16.731 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.352 -15.456 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.167 -15.755 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.518 -14.157 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.280 -14.641 4.513 1.00 0.00 H new ATOM 1494 N THR A 97 -5.537 -14.067 2.286 1.00 0.00 N ATOM 1495 CA THR A 97 -6.614 -14.387 1.362 1.00 0.00 C ATOM 1496 C THR A 97 -6.862 -13.213 0.410 1.00 0.00 C ATOM 1497 O THR A 97 -6.994 -13.430 -0.790 1.00 0.00 O ATOM 1498 CB THR A 97 -7.855 -14.735 2.197 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.459 -15.628 3.223 1.00 0.00 O ATOM 1500 CG2 THR A 97 -8.958 -15.391 1.366 1.00 0.00 C ATOM 0 H THR A 97 -5.828 -14.066 3.264 1.00 0.00 H new ATOM 0 HA THR A 97 -6.356 -15.241 0.736 1.00 0.00 H new ATOM 0 HB THR A 97 -8.262 -13.808 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.237 -15.863 3.771 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.811 -15.616 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.269 -14.711 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.582 -16.314 0.926 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.863 -11.968 0.904 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.023 -10.765 0.079 1.00 0.00 C ATOM 1510 C ARG A 98 -5.952 -10.689 -1.004 1.00 0.00 C ATOM 1511 O ARG A 98 -6.242 -10.345 -2.145 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.991 -9.517 0.985 1.00 0.00 C ATOM 1513 CG ARG A 98 -8.371 -8.864 1.145 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.558 -7.654 0.214 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.944 -7.419 -0.240 1.00 0.00 N ATOM 1516 CZ ARG A 98 -11.096 -7.482 0.450 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -11.119 -7.845 1.730 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -12.241 -7.204 -0.156 1.00 0.00 N ATOM 0 H ARG A 98 -6.752 -11.766 1.898 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.986 -10.810 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.610 -9.796 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.295 -8.789 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.146 -9.602 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.502 -8.547 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.205 -6.761 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.923 -7.788 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.042 -7.172 -1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.250 -8.083 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.006 -7.885 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.246 -6.943 -1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.117 -7.251 0.364 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.709 -10.995 -0.653 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.585 -11.015 -1.566 1.00 0.00 C ATOM 1534 C LEU A 99 -3.723 -12.172 -2.552 1.00 0.00 C ATOM 1535 O LEU A 99 -3.550 -11.977 -3.752 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.311 -11.171 -0.730 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.752 -9.924 -0.041 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.773 -10.339 1.065 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -1.001 -9.105 -1.081 1.00 0.00 C ATOM 0 H LEU A 99 -4.453 -11.242 0.303 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.547 -10.092 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.504 -11.920 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.532 -11.573 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.564 -9.344 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.377 -9.449 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.293 -10.955 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.048 -10.909 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.593 -8.209 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.188 -9.701 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.684 -8.817 -1.880 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.006 -13.390 -2.093 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.265 -14.511 -2.998 1.00 0.00 C ATOM 1553 C LYS A 100 -5.410 -14.246 -3.956 1.00 0.00 C ATOM 1554 O LYS A 100 -5.318 -14.680 -5.104 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.513 -15.795 -2.206 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.152 -16.379 -1.826 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.115 -17.913 -1.770 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.782 -18.489 -3.152 1.00 0.00 C ATOM 1559 NZ LYS A 100 -2.560 -19.950 -3.122 1.00 0.00 N ATOM 0 H LYS A 100 -4.062 -13.627 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.370 -14.633 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.102 -15.585 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.082 -16.508 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.409 -16.036 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.860 -15.985 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.371 -18.239 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.079 -18.295 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.596 -18.263 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.890 -17.998 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.339 -20.287 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.766 -20.168 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.419 -20.425 -2.778 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.401 -13.462 -3.548 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.492 -13.038 -4.398 1.00 0.00 C ATOM 1575 C GLN A 101 -6.983 -12.329 -5.657 1.00 0.00 C ATOM 1576 O GLN A 101 -7.687 -12.326 -6.666 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.412 -12.108 -3.593 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.887 -12.321 -3.924 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.480 -13.446 -3.084 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.003 -14.580 -3.074 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.524 -13.153 -2.334 1.00 0.00 N ATOM 0 H GLN A 101 -6.464 -13.099 -2.597 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.045 -13.918 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.253 -12.277 -2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.143 -11.071 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.440 -11.399 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.995 -12.557 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.914 -12.210 -2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.942 -13.869 -1.740 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.778 -11.744 -5.625 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.206 -11.004 -6.742 1.00 0.00 C ATOM 1592 C ILE A 102 -3.875 -11.630 -7.214 1.00 0.00 C ATOM 1593 O ILE A 102 -3.049 -10.942 -7.812 1.00 0.00 O ATOM 1594 CB ILE A 102 -5.164 -9.497 -6.390 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -4.074 -9.118 -5.378 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -6.491 -9.004 -5.802 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -3.106 -8.080 -5.931 1.00 0.00 C ATOM 0 H ILE A 102 -5.170 -11.776 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.842 -11.081 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.950 -9.022 -7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.541 -8.730 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.520 -10.012 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.414 -7.942 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.290 -9.161 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.713 -9.559 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.354 -7.846 -5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.617 -8.476 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.654 -7.174 -6.191 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.662 -12.928 -6.954 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.618 -13.713 -7.613 1.00 0.00 C ATOM 1611 C GLY A 103 -1.264 -13.688 -6.911 1.00 0.00 C ATOM 1612 O GLY A 103 -0.251 -14.017 -7.528 1.00 0.00 O ATOM 0 H GLY A 103 -4.212 -13.460 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.954 -14.747 -7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.492 -13.343 -8.630 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.213 -13.269 -5.646 1.00 0.00 N ATOM 1617 CA ALA A 104 0.017 -12.940 -4.963 1.00 0.00 C ATOM 1618 C ALA A 104 0.671 -14.175 -4.393 1.00 0.00 C ATOM 1619 O ALA A 104 1.776 -14.483 -4.813 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.363 -12.007 -3.821 1.00 0.00 C ATOM 0 H ALA A 104 -2.044 -13.150 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 104 0.723 -12.482 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.533 -11.725 -3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.837 -11.112 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.057 -12.515 -3.152 1.00 0.00 H new ATOM 1626 N LEU A 105 0.112 -14.795 -3.351 1.00 0.00 N ATOM 1627 CA LEU A 105 0.894 -15.749 -2.628 1.00 0.00 C ATOM 1628 C LEU A 105 1.041 -16.983 -3.487 1.00 0.00 C ATOM 1629 O LEU A 105 0.152 -17.357 -4.258 1.00 0.00 O ATOM 1630 CB LEU A 105 0.292 -16.120 -1.290 1.00 0.00 C ATOM 1631 CG LEU A 105 0.210 -15.074 -0.174 1.00 0.00 C ATOM 1632 CD1 LEU A 105 1.548 -14.440 0.161 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -0.716 -13.905 -0.458 1.00 0.00 C ATOM 0 H LEU A 105 -0.840 -14.650 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 105 1.862 -15.298 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.721 -16.475 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.860 -16.966 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.176 -15.673 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.415 -13.710 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.245 -15.212 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.947 -13.943 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.707 -13.219 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.377 -13.382 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.730 -14.274 -0.615 1.00 0.00 H new ATOM 1645 N GLN A 106 2.203 -17.580 -3.323 1.00 0.00 N ATOM 1646 CA GLN A 106 2.658 -18.696 -4.113 1.00 0.00 C ATOM 1647 C GLN A 106 2.040 -19.992 -3.590 1.00 0.00 C ATOM 1648 O GLN A 106 0.947 -19.945 -2.983 1.00 0.00 O ATOM 1649 CB GLN A 106 4.193 -18.625 -4.114 1.00 0.00 C ATOM 1650 CG GLN A 106 4.809 -19.357 -5.313 1.00 0.00 C ATOM 1651 CD GLN A 106 6.190 -18.815 -5.673 1.00 0.00 C ATOM 1652 OE1 GLN A 106 7.194 -19.518 -5.607 1.00 0.00 O ATOM 1653 NE2 GLN A 106 6.266 -17.565 -6.100 1.00 0.00 N ATOM 1654 OXT GLN A 106 2.597 -21.069 -3.877 1.00 0.00 O ATOM 0 H GLN A 106 2.875 -17.290 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 106 2.332 -18.664 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.506 -17.581 -4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.575 -19.060 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.886 -20.420 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.147 -19.261 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.424 -16.991 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.166 -17.175 -6.379 1.00 0.00 H new