USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 713 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 Single : A 1 VAL N :NH3+ 154:sc= -0.101 (180deg=-1.27!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.3!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 9 SER OG : rot -1:sc= 0.787 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0884 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -3.15! (180deg=-3.98!) USER MOD Single : A 17 LYS NZ :NH3+ 137:sc= -0.832 (180deg=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.76! C(o=-3.8!,f=-8.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.03! C(o=-5!,f=-5.5!) USER MOD Single : A 52 ASN : amide:sc= -0.599 K(o=-0.6,f=-1.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.462 (180deg=-2.74!) USER MOD Single : A 65 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 82 THR OG1 : rot -175:sc= -0.196 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.491 -12.724 -0.180 1.00 0.00 N ATOM 2 CA VAL A 1 -0.661 -11.867 0.717 1.00 0.00 C ATOM 3 C VAL A 1 -1.546 -11.185 1.763 1.00 0.00 C ATOM 4 O VAL A 1 -1.956 -10.053 1.600 1.00 0.00 O ATOM 5 CB VAL A 1 -0.026 -10.829 -0.208 1.00 0.00 C ATOM 6 CG1 VAL A 1 -1.125 -9.968 -0.838 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.920 -9.938 0.600 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.018 -12.823 -1.101 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.610 -13.663 0.250 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.424 -12.284 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 1 0.088 -12.441 1.262 1.00 0.00 H new ATOM 0 HB VAL A 1 0.534 -11.336 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -0.673 -9.227 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.800 -10.603 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.685 -9.461 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.374 -9.197 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.360 -9.431 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.701 -10.551 1.050 1.00 0.00 H new ATOM 19 N THR A 2 -1.848 -11.865 2.835 1.00 0.00 N ATOM 20 CA THR A 2 -2.709 -11.254 3.887 1.00 0.00 C ATOM 21 C THR A 2 -1.990 -11.265 5.239 1.00 0.00 C ATOM 22 O THR A 2 -1.153 -12.106 5.501 1.00 0.00 O ATOM 23 CB THR A 2 -3.956 -12.139 3.939 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.539 -12.210 2.645 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.965 -11.548 4.924 1.00 0.00 C ATOM 0 H THR A 2 -1.536 -12.817 3.028 1.00 0.00 H new ATOM 0 HA THR A 2 -2.951 -10.214 3.667 1.00 0.00 H new ATOM 0 HB THR A 2 -3.677 -13.140 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.337 -12.778 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.852 -12.180 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.517 -11.496 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.246 -10.546 4.600 1.00 0.00 H new ATOM 33 N VAL A 3 -2.317 -10.339 6.101 1.00 0.00 N ATOM 34 CA VAL A 3 -1.659 -10.299 7.439 1.00 0.00 C ATOM 35 C VAL A 3 -2.347 -11.289 8.380 1.00 0.00 C ATOM 36 O VAL A 3 -3.489 -11.113 8.752 1.00 0.00 O ATOM 37 CB VAL A 3 -1.850 -8.863 7.929 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.460 -8.772 9.406 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.965 -7.923 7.108 1.00 0.00 C ATOM 0 H VAL A 3 -3.011 -9.609 5.936 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.605 -10.574 7.399 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.894 -8.574 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.596 -7.749 9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.090 -9.442 9.991 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.416 -9.060 9.525 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.100 -6.899 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.080 -8.211 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.243 -7.988 6.056 1.00 0.00 H new ATOM 49 N GLN A 4 -1.668 -12.334 8.762 1.00 0.00 N ATOM 50 CA GLN A 4 -2.298 -13.334 9.668 1.00 0.00 C ATOM 51 C GLN A 4 -1.639 -13.304 11.049 1.00 0.00 C ATOM 52 O GLN A 4 -0.445 -13.486 11.184 1.00 0.00 O ATOM 53 CB GLN A 4 -2.059 -14.685 8.993 1.00 0.00 C ATOM 54 CG GLN A 4 -2.732 -15.790 9.810 1.00 0.00 C ATOM 55 CD GLN A 4 -2.266 -17.157 9.306 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.143 -17.554 9.544 1.00 0.00 O ATOM 57 NE2 GLN A 4 -3.088 -17.898 8.614 1.00 0.00 N ATOM 0 H GLN A 4 -0.707 -12.539 8.487 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.358 -13.132 9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.459 -14.673 7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.989 -14.879 8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.486 -15.677 10.866 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.816 -15.710 9.725 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.031 -17.564 8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.787 -18.811 8.273 1.00 0.00 H new ATOM 66 N ASP A 5 -2.414 -13.091 12.076 1.00 0.00 N ATOM 67 CA ASP A 5 -1.836 -13.069 13.449 1.00 0.00 C ATOM 68 C ASP A 5 -1.633 -14.503 13.937 1.00 0.00 C ATOM 69 O ASP A 5 -0.534 -15.020 13.937 1.00 0.00 O ATOM 70 CB ASP A 5 -2.870 -12.340 14.310 1.00 0.00 C ATOM 71 CG ASP A 5 -2.154 -11.387 15.267 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.605 -10.405 14.795 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.166 -11.654 16.458 1.00 0.00 O ATOM 0 H ASP A 5 -3.420 -12.932 12.024 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.867 -12.572 13.490 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.561 -11.785 13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.463 -13.060 14.873 1.00 0.00 H new ATOM 78 N GLY A 6 -2.686 -15.153 14.343 1.00 0.00 N ATOM 79 CA GLY A 6 -2.557 -16.557 14.820 1.00 0.00 C ATOM 80 C GLY A 6 -2.998 -17.508 13.705 1.00 0.00 C ATOM 81 O GLY A 6 -2.490 -17.464 12.603 1.00 0.00 O ATOM 0 H GLY A 6 -3.632 -14.772 14.365 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.525 -16.764 15.104 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.169 -16.710 15.709 1.00 0.00 H new ATOM 85 N ASN A 7 -3.940 -18.367 13.982 1.00 0.00 N ATOM 86 CA ASN A 7 -4.412 -19.320 12.935 1.00 0.00 C ATOM 87 C ASN A 7 -5.429 -18.639 12.013 1.00 0.00 C ATOM 88 O ASN A 7 -5.992 -19.257 11.132 1.00 0.00 O ATOM 89 CB ASN A 7 -5.070 -20.461 13.709 1.00 0.00 C ATOM 90 CG ASN A 7 -4.033 -21.131 14.614 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.849 -21.063 14.353 1.00 0.00 O ATOM 92 ND2 ASN A 7 -4.433 -21.775 15.676 1.00 0.00 N ATOM 0 H ASN A 7 -4.404 -18.451 14.887 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.598 -19.672 12.301 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.897 -20.079 14.307 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.488 -21.191 13.016 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.751 -22.222 16.288 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.428 -21.831 15.894 1.00 0.00 H new ATOM 99 N PHE A 8 -5.672 -17.371 12.210 1.00 0.00 N ATOM 100 CA PHE A 8 -6.656 -16.656 11.345 1.00 0.00 C ATOM 101 C PHE A 8 -5.952 -15.583 10.508 1.00 0.00 C ATOM 102 O PHE A 8 -5.159 -14.810 11.011 1.00 0.00 O ATOM 103 CB PHE A 8 -7.642 -16.016 12.323 1.00 0.00 C ATOM 104 CG PHE A 8 -8.384 -17.102 13.066 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.576 -17.617 12.545 1.00 0.00 C ATOM 106 CD2 PHE A 8 -7.880 -17.593 14.277 1.00 0.00 C ATOM 107 CE1 PHE A 8 -10.263 -18.625 13.231 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.567 -18.601 14.963 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.760 -19.116 14.441 1.00 0.00 C ATOM 0 H PHE A 8 -5.233 -16.799 12.932 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.152 -17.325 10.641 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.110 -15.376 13.027 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.346 -15.382 11.785 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.966 -17.236 11.613 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.962 -17.194 14.681 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.181 -19.024 12.826 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.177 -18.982 15.895 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.292 -19.892 14.972 1.00 0.00 H new ATOM 119 N SER A 9 -6.234 -15.530 9.233 1.00 0.00 N ATOM 120 CA SER A 9 -5.581 -14.507 8.362 1.00 0.00 C ATOM 121 C SER A 9 -6.361 -13.191 8.415 1.00 0.00 C ATOM 122 O SER A 9 -7.565 -13.163 8.252 1.00 0.00 O ATOM 123 CB SER A 9 -5.625 -15.102 6.954 1.00 0.00 C ATOM 124 OG SER A 9 -6.943 -14.999 6.437 1.00 0.00 O ATOM 0 H SER A 9 -6.888 -16.151 8.756 1.00 0.00 H new ATOM 0 HA SER A 9 -4.562 -14.283 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.926 -14.576 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.313 -16.146 6.979 1.00 0.00 H new ATOM 0 HG SER A 9 -7.527 -14.590 7.109 1.00 0.00 H new ATOM 130 N PHE A 10 -5.685 -12.098 8.647 1.00 0.00 N ATOM 131 CA PHE A 10 -6.390 -10.785 8.716 1.00 0.00 C ATOM 132 C PHE A 10 -5.875 -9.835 7.627 1.00 0.00 C ATOM 133 O PHE A 10 -4.685 -9.646 7.466 1.00 0.00 O ATOM 134 CB PHE A 10 -6.055 -10.235 10.104 1.00 0.00 C ATOM 135 CG PHE A 10 -6.464 -11.234 11.159 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.628 -11.995 10.993 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.678 -11.401 12.306 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.005 -12.921 11.975 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.055 -12.326 13.287 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.218 -13.086 13.121 1.00 0.00 C ATOM 0 H PHE A 10 -4.676 -12.057 8.792 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.464 -10.888 8.558 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.987 -10.031 10.177 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.572 -9.289 10.265 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.235 -11.868 10.109 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.780 -10.815 12.434 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.903 -13.507 11.848 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.448 -12.453 14.171 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.509 -13.800 13.877 1.00 0.00 H new ATOM 150 N SER A 11 -6.762 -9.235 6.879 1.00 0.00 N ATOM 151 CA SER A 11 -6.322 -8.297 5.804 1.00 0.00 C ATOM 152 C SER A 11 -5.873 -6.965 6.413 1.00 0.00 C ATOM 153 O SER A 11 -6.060 -6.713 7.588 1.00 0.00 O ATOM 154 CB SER A 11 -7.558 -8.096 4.927 1.00 0.00 C ATOM 155 OG SER A 11 -8.509 -7.304 5.624 1.00 0.00 O ATOM 0 H SER A 11 -7.771 -9.353 6.965 1.00 0.00 H new ATOM 0 HA SER A 11 -5.477 -8.686 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.279 -7.610 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.993 -9.061 4.667 1.00 0.00 H new ATOM 0 HG SER A 11 -9.301 -7.173 5.062 1.00 0.00 H new ATOM 161 N LEU A 12 -5.277 -6.110 5.625 1.00 0.00 N ATOM 162 CA LEU A 12 -4.811 -4.797 6.163 1.00 0.00 C ATOM 163 C LEU A 12 -5.856 -3.706 5.898 1.00 0.00 C ATOM 164 O LEU A 12 -5.724 -2.586 6.350 1.00 0.00 O ATOM 165 CB LEU A 12 -3.516 -4.497 5.405 1.00 0.00 C ATOM 166 CG LEU A 12 -2.507 -5.624 5.645 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.859 -6.824 4.764 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.101 -5.134 5.297 1.00 0.00 C ATOM 0 H LEU A 12 -5.093 -6.263 4.634 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.657 -4.827 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.721 -4.400 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.100 -3.546 5.738 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.540 -5.921 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.140 -7.625 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.860 -7.176 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.828 -6.527 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.383 -5.936 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.069 -4.835 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.847 -4.280 5.925 1.00 0.00 H new ATOM 180 N GLU A 13 -6.888 -4.022 5.163 1.00 0.00 N ATOM 181 CA GLU A 13 -7.936 -3.000 4.864 1.00 0.00 C ATOM 182 C GLU A 13 -8.758 -2.684 6.120 1.00 0.00 C ATOM 183 O GLU A 13 -8.648 -1.618 6.693 1.00 0.00 O ATOM 184 CB GLU A 13 -8.826 -3.638 3.797 1.00 0.00 C ATOM 185 CG GLU A 13 -8.002 -3.920 2.542 1.00 0.00 C ATOM 186 CD GLU A 13 -8.909 -4.510 1.460 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.043 -4.833 1.777 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.456 -4.628 0.334 1.00 0.00 O ATOM 0 H GLU A 13 -7.052 -4.943 4.756 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.499 -2.060 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.258 -4.564 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.656 -2.974 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.540 -3.000 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.194 -4.614 2.773 1.00 0.00 H new ATOM 195 N SER A 14 -9.587 -3.599 6.543 1.00 0.00 N ATOM 196 CA SER A 14 -10.425 -3.351 7.754 1.00 0.00 C ATOM 197 C SER A 14 -9.594 -2.691 8.857 1.00 0.00 C ATOM 198 O SER A 14 -9.965 -1.666 9.399 1.00 0.00 O ATOM 199 CB SER A 14 -10.897 -4.733 8.200 1.00 0.00 C ATOM 200 OG SER A 14 -11.325 -5.478 7.070 1.00 0.00 O ATOM 0 H SER A 14 -9.721 -4.509 6.103 1.00 0.00 H new ATOM 0 HA SER A 14 -11.258 -2.680 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.088 -5.258 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.714 -4.636 8.915 1.00 0.00 H new ATOM 0 HG SER A 14 -11.626 -6.365 7.358 1.00 0.00 H new ATOM 206 N VAL A 15 -8.472 -3.264 9.193 1.00 0.00 N ATOM 207 CA VAL A 15 -7.629 -2.658 10.259 1.00 0.00 C ATOM 208 C VAL A 15 -7.287 -1.213 9.895 1.00 0.00 C ATOM 209 O VAL A 15 -7.464 -0.310 10.687 1.00 0.00 O ATOM 210 CB VAL A 15 -6.378 -3.528 10.324 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.757 -4.890 10.906 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.797 -3.710 8.919 1.00 0.00 C ATOM 0 H VAL A 15 -8.105 -4.120 8.778 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.134 -2.624 11.224 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.628 -3.050 10.955 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.871 -5.523 10.958 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.167 -4.757 11.907 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.504 -5.363 10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.904 -4.332 8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.537 -4.191 8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.537 -2.736 8.504 1.00 0.00 H new ATOM 222 N LYS A 16 -6.822 -0.976 8.699 1.00 0.00 N ATOM 223 CA LYS A 16 -6.507 0.426 8.309 1.00 0.00 C ATOM 224 C LYS A 16 -7.751 1.287 8.520 1.00 0.00 C ATOM 225 O LYS A 16 -7.713 2.308 9.178 1.00 0.00 O ATOM 226 CB LYS A 16 -6.145 0.367 6.826 1.00 0.00 C ATOM 227 CG LYS A 16 -6.034 1.792 6.278 1.00 0.00 C ATOM 228 CD LYS A 16 -5.841 1.744 4.761 1.00 0.00 C ATOM 229 CE LYS A 16 -6.070 3.137 4.175 1.00 0.00 C ATOM 230 NZ LYS A 16 -4.731 3.569 3.682 1.00 0.00 N ATOM 0 H LYS A 16 -6.649 -1.682 7.984 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.695 0.855 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.202 -0.162 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.904 -0.189 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.933 2.358 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.195 2.308 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.835 1.398 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.537 1.032 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.800 3.110 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.455 3.824 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.844 4.365 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.144 3.868 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.269 2.776 3.192 1.00 0.00 H new ATOM 244 N LYS A 17 -8.864 0.864 7.981 1.00 0.00 N ATOM 245 CA LYS A 17 -10.126 1.632 8.159 1.00 0.00 C ATOM 246 C LYS A 17 -10.733 1.318 9.527 1.00 0.00 C ATOM 247 O LYS A 17 -11.859 1.675 9.814 1.00 0.00 O ATOM 248 CB LYS A 17 -11.049 1.142 7.044 1.00 0.00 C ATOM 249 CG LYS A 17 -10.438 1.481 5.684 1.00 0.00 C ATOM 250 CD LYS A 17 -11.418 1.084 4.577 1.00 0.00 C ATOM 251 CE LYS A 17 -10.732 1.216 3.216 1.00 0.00 C ATOM 252 NZ LYS A 17 -10.839 -0.140 2.605 1.00 0.00 N ATOM 0 H LYS A 17 -8.951 0.015 7.423 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.968 2.709 8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.198 0.066 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.030 1.608 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.219 2.547 5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.493 0.954 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.757 0.059 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.302 1.721 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.221 1.969 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.691 1.520 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.102 -0.049 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.924 -0.628 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.566 -0.690 3.105 1.00 0.00 H new ATOM 266 N LEU A 18 -9.993 0.658 10.378 1.00 0.00 N ATOM 267 CA LEU A 18 -10.519 0.325 11.730 1.00 0.00 C ATOM 268 C LEU A 18 -10.765 1.610 12.526 1.00 0.00 C ATOM 269 O LEU A 18 -11.683 1.696 13.315 1.00 0.00 O ATOM 270 CB LEU A 18 -9.406 -0.511 12.367 1.00 0.00 C ATOM 271 CG LEU A 18 -9.844 -1.013 13.745 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.196 -1.716 13.627 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.804 -2.004 14.279 1.00 0.00 C ATOM 0 H LEU A 18 -9.044 0.335 10.192 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.469 -0.209 11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.163 -1.357 11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.500 0.088 12.461 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.931 -0.168 14.428 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.507 -2.073 14.609 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.938 -1.016 13.244 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.108 -2.561 12.944 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.114 -2.363 15.260 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.720 -2.848 13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.837 -1.507 14.363 1.00 0.00 H new ATOM 285 N LYS A 19 -9.953 2.613 12.315 1.00 0.00 N ATOM 286 CA LYS A 19 -10.147 3.895 13.052 1.00 0.00 C ATOM 287 C LYS A 19 -11.508 4.496 12.691 1.00 0.00 C ATOM 288 O LYS A 19 -12.232 4.977 13.540 1.00 0.00 O ATOM 289 CB LYS A 19 -9.012 4.804 12.577 1.00 0.00 C ATOM 290 CG LYS A 19 -9.051 6.122 13.356 1.00 0.00 C ATOM 291 CD LYS A 19 -7.988 7.075 12.802 1.00 0.00 C ATOM 292 CE LYS A 19 -7.853 8.286 13.728 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.389 8.570 13.771 1.00 0.00 N ATOM 0 H LYS A 19 -9.166 2.599 11.666 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.129 3.763 14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.051 4.311 12.724 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.110 4.998 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.039 6.575 13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.872 5.936 14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.031 6.560 12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.264 7.400 11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.411 9.141 13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.244 8.069 14.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.212 9.389 14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.885 7.741 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.048 8.779 12.811 1.00 0.00 H new ATOM 307 N ASP A 20 -11.863 4.459 11.436 1.00 0.00 N ATOM 308 CA ASP A 20 -13.180 5.016 11.014 1.00 0.00 C ATOM 309 C ASP A 20 -14.152 3.871 10.722 1.00 0.00 C ATOM 310 O ASP A 20 -13.871 2.993 9.930 1.00 0.00 O ATOM 311 CB ASP A 20 -12.889 5.813 9.743 1.00 0.00 C ATOM 312 CG ASP A 20 -12.003 7.013 10.085 1.00 0.00 C ATOM 313 OD1 ASP A 20 -11.867 7.310 11.260 1.00 0.00 O ATOM 314 OD2 ASP A 20 -11.477 7.616 9.164 1.00 0.00 O ATOM 0 H ASP A 20 -11.297 4.067 10.683 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.636 5.640 11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.393 5.178 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.822 6.153 9.292 1.00 0.00 H new ATOM 319 N LEU A 21 -15.289 3.864 11.360 1.00 0.00 N ATOM 320 CA LEU A 21 -16.269 2.766 11.120 1.00 0.00 C ATOM 321 C LEU A 21 -17.274 3.169 10.039 1.00 0.00 C ATOM 322 O LEU A 21 -17.866 4.228 10.089 1.00 0.00 O ATOM 323 CB LEU A 21 -16.976 2.565 12.460 1.00 0.00 C ATOM 324 CG LEU A 21 -17.688 1.212 12.461 1.00 0.00 C ATOM 325 CD1 LEU A 21 -16.650 0.089 12.508 1.00 0.00 C ATOM 326 CD2 LEU A 21 -18.601 1.118 13.684 1.00 0.00 C ATOM 0 H LEU A 21 -15.583 4.569 12.036 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.784 1.854 10.772 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.253 2.609 13.275 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.695 3.367 12.628 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.285 1.114 11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.157 -0.876 12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.001 0.157 11.635 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.051 0.185 13.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -19.109 0.154 13.686 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -18.005 1.216 14.591 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -19.341 1.918 13.648 1.00 0.00 H new ATOM 338 N GLN A 22 -17.474 2.327 9.062 1.00 0.00 N ATOM 339 CA GLN A 22 -18.444 2.655 7.978 1.00 0.00 C ATOM 340 C GLN A 22 -19.364 1.458 7.719 1.00 0.00 C ATOM 341 O GLN A 22 -19.156 0.381 8.240 1.00 0.00 O ATOM 342 CB GLN A 22 -17.584 2.950 6.749 1.00 0.00 C ATOM 343 CG GLN A 22 -16.700 4.168 7.024 1.00 0.00 C ATOM 344 CD GLN A 22 -15.965 4.575 5.743 1.00 0.00 C ATOM 345 OE1 GLN A 22 -16.085 3.839 4.670 1.00 0.00 O flip ATOM 346 NE2 GLN A 22 -15.274 5.573 5.718 1.00 0.00 N flip ATOM 0 H GLN A 22 -17.007 1.425 8.967 1.00 0.00 H new ATOM 0 HA GLN A 22 -19.084 3.499 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.965 2.085 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -18.220 3.137 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.309 4.997 7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.980 3.937 7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.179 6.149 6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.788 5.836 4.860 1.00 0.00 H new ATOM 355 N GLU A 23 -20.380 1.637 6.919 1.00 0.00 N ATOM 356 CA GLU A 23 -21.307 0.506 6.630 1.00 0.00 C ATOM 357 C GLU A 23 -20.511 -0.785 6.401 1.00 0.00 C ATOM 358 O GLU A 23 -19.349 -0.740 6.052 1.00 0.00 O ATOM 359 CB GLU A 23 -22.045 0.914 5.353 1.00 0.00 C ATOM 360 CG GLU A 23 -23.296 1.715 5.720 1.00 0.00 C ATOM 361 CD GLU A 23 -22.984 3.212 5.642 1.00 0.00 C ATOM 362 OE1 GLU A 23 -22.101 3.651 6.360 1.00 0.00 O ATOM 363 OE2 GLU A 23 -23.633 3.891 4.865 1.00 0.00 O ATOM 0 H GLU A 23 -20.608 2.516 6.454 1.00 0.00 H new ATOM 0 HA GLU A 23 -21.994 0.314 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -21.391 1.511 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -22.322 0.028 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -24.112 1.467 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -23.627 1.453 6.725 1.00 0.00 H new ATOM 370 N PRO A 24 -21.169 -1.895 6.610 1.00 0.00 N ATOM 371 CA PRO A 24 -20.523 -3.217 6.427 1.00 0.00 C ATOM 372 C PRO A 24 -20.092 -3.411 4.970 1.00 0.00 C ATOM 373 O PRO A 24 -20.534 -4.321 4.299 1.00 0.00 O ATOM 374 CB PRO A 24 -21.642 -4.192 6.802 1.00 0.00 C ATOM 375 CG PRO A 24 -22.897 -3.382 7.186 1.00 0.00 C ATOM 376 CD PRO A 24 -22.586 -1.888 7.038 1.00 0.00 C ATOM 0 HA PRO A 24 -19.619 -3.348 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -21.862 -4.855 5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.330 -4.823 7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -23.735 -3.658 6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -23.192 -3.606 8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -23.230 -1.411 6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.724 -1.350 7.976 1.00 0.00 H new ATOM 384 N GLN A 25 -19.229 -2.565 4.478 1.00 0.00 N ATOM 385 CA GLN A 25 -18.770 -2.703 3.066 1.00 0.00 C ATOM 386 C GLN A 25 -17.249 -2.871 3.023 1.00 0.00 C ATOM 387 O GLN A 25 -16.518 -2.170 3.695 1.00 0.00 O ATOM 388 CB GLN A 25 -19.187 -1.399 2.384 1.00 0.00 C ATOM 389 CG GLN A 25 -20.712 -1.285 2.393 1.00 0.00 C ATOM 390 CD GLN A 25 -21.128 0.030 1.731 1.00 0.00 C ATOM 391 OE1 GLN A 25 -20.309 0.900 1.515 1.00 0.00 O ATOM 392 NE2 GLN A 25 -22.377 0.212 1.400 1.00 0.00 N ATOM 0 H GLN A 25 -18.822 -1.784 4.992 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.201 -3.574 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.745 -0.548 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.816 -1.377 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -21.154 -2.128 1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.084 -1.323 3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -23.065 -0.519 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.666 1.085 0.960 1.00 0.00 H new ATOM 401 N GLU A 26 -16.764 -3.798 2.242 1.00 0.00 N ATOM 402 CA GLU A 26 -15.290 -4.008 2.165 1.00 0.00 C ATOM 403 C GLU A 26 -14.845 -4.157 0.706 1.00 0.00 C ATOM 404 O GLU A 26 -14.392 -5.208 0.302 1.00 0.00 O ATOM 405 CB GLU A 26 -15.034 -5.301 2.938 1.00 0.00 C ATOM 406 CG GLU A 26 -14.702 -4.970 4.395 1.00 0.00 C ATOM 407 CD GLU A 26 -13.511 -4.010 4.440 1.00 0.00 C ATOM 408 OE1 GLU A 26 -12.473 -4.359 3.901 1.00 0.00 O ATOM 409 OE2 GLU A 26 -13.658 -2.944 5.013 1.00 0.00 O ATOM 0 H GLU A 26 -17.323 -4.417 1.655 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.734 -3.167 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.913 -5.944 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.211 -5.852 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.566 -4.518 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.468 -5.883 4.943 1.00 0.00 H new ATOM 416 N PRO A 27 -14.986 -3.091 -0.038 1.00 0.00 N ATOM 417 CA PRO A 27 -14.589 -3.096 -1.465 1.00 0.00 C ATOM 418 C PRO A 27 -13.085 -3.357 -1.598 1.00 0.00 C ATOM 419 O PRO A 27 -12.312 -3.038 -0.717 1.00 0.00 O ATOM 420 CB PRO A 27 -14.944 -1.677 -1.917 1.00 0.00 C ATOM 421 CG PRO A 27 -15.535 -0.908 -0.718 1.00 0.00 C ATOM 422 CD PRO A 27 -15.549 -1.833 0.506 1.00 0.00 C ATOM 0 HA PRO A 27 -15.079 -3.869 -2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.057 -1.167 -2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -15.663 -1.710 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.941 -0.018 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.546 -0.571 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.944 -1.437 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.557 -1.975 0.896 1.00 0.00 H new ATOM 430 N ARG A 28 -12.665 -3.934 -2.690 1.00 0.00 N ATOM 431 CA ARG A 28 -11.210 -4.214 -2.871 1.00 0.00 C ATOM 432 C ARG A 28 -10.621 -3.289 -3.940 1.00 0.00 C ATOM 433 O ARG A 28 -11.243 -3.008 -4.944 1.00 0.00 O ATOM 434 CB ARG A 28 -11.141 -5.673 -3.324 1.00 0.00 C ATOM 435 CG ARG A 28 -11.675 -6.577 -2.211 1.00 0.00 C ATOM 436 CD ARG A 28 -11.476 -8.041 -2.604 1.00 0.00 C ATOM 437 NE ARG A 28 -12.267 -8.814 -1.604 1.00 0.00 N ATOM 438 CZ ARG A 28 -11.657 -9.462 -0.649 1.00 0.00 C ATOM 439 NH1 ARG A 28 -10.516 -10.049 -0.884 1.00 0.00 N ATOM 440 NH2 ARG A 28 -12.189 -9.521 0.541 1.00 0.00 N ATOM 0 H ARG A 28 -13.263 -4.224 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.640 -4.044 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.727 -5.811 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.113 -5.942 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.155 -6.366 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.733 -6.376 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.828 -8.230 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.422 -8.319 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.285 -8.836 -1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.100 -10.002 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.040 -10.555 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.081 -9.061 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.713 -10.027 1.288 1.00 0.00 H new ATOM 454 N VAL A 29 -9.423 -2.815 -3.729 1.00 0.00 N ATOM 455 CA VAL A 29 -8.792 -1.909 -4.732 1.00 0.00 C ATOM 456 C VAL A 29 -7.448 -2.482 -5.188 1.00 0.00 C ATOM 457 O VAL A 29 -6.660 -2.952 -4.391 1.00 0.00 O ATOM 458 CB VAL A 29 -8.588 -0.584 -3.996 1.00 0.00 C ATOM 459 CG1 VAL A 29 -8.023 0.456 -4.965 1.00 0.00 C ATOM 460 CG2 VAL A 29 -9.929 -0.094 -3.448 1.00 0.00 C ATOM 0 H VAL A 29 -8.854 -3.015 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 29 -9.406 -1.789 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.890 -0.730 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.877 1.401 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.067 0.107 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.721 0.602 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.784 0.850 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.627 0.052 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -10.332 -0.835 -2.758 1.00 0.00 H new ATOM 470 N GLY A 30 -7.179 -2.446 -6.464 1.00 0.00 N ATOM 471 CA GLY A 30 -5.885 -2.989 -6.970 1.00 0.00 C ATOM 472 C GLY A 30 -4.727 -2.314 -6.232 1.00 0.00 C ATOM 473 O GLY A 30 -3.695 -2.912 -5.998 1.00 0.00 O ATOM 0 H GLY A 30 -7.799 -2.064 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.847 -4.068 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.799 -2.814 -8.042 1.00 0.00 H new ATOM 477 N LYS A 31 -4.889 -1.072 -5.864 1.00 0.00 N ATOM 478 CA LYS A 31 -3.796 -0.360 -5.141 1.00 0.00 C ATOM 479 C LYS A 31 -3.657 -0.910 -3.720 1.00 0.00 C ATOM 480 O LYS A 31 -4.631 -1.252 -3.079 1.00 0.00 O ATOM 481 CB LYS A 31 -4.231 1.105 -5.111 1.00 0.00 C ATOM 482 CG LYS A 31 -3.082 1.969 -4.591 1.00 0.00 C ATOM 483 CD LYS A 31 -3.537 3.427 -4.508 1.00 0.00 C ATOM 484 CE LYS A 31 -2.338 4.318 -4.178 1.00 0.00 C ATOM 485 NZ LYS A 31 -2.527 5.537 -5.014 1.00 0.00 N ATOM 0 H LYS A 31 -5.730 -0.520 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.828 -0.487 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.520 1.430 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.106 1.222 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.766 1.619 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.220 1.883 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.982 3.734 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.306 3.536 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.310 4.567 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.398 3.819 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.743 6.199 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.543 5.270 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.427 5.994 -4.763 1.00 0.00 H new ATOM 499 N LEU A 32 -2.455 -0.998 -3.221 1.00 0.00 N ATOM 500 CA LEU A 32 -2.256 -1.526 -1.841 1.00 0.00 C ATOM 501 C LEU A 32 -2.396 -0.399 -0.815 1.00 0.00 C ATOM 502 O LEU A 32 -1.767 0.634 -0.924 1.00 0.00 O ATOM 503 CB LEU A 32 -0.832 -2.085 -1.831 1.00 0.00 C ATOM 504 CG LEU A 32 -0.561 -2.766 -0.488 1.00 0.00 C ATOM 505 CD1 LEU A 32 -1.332 -4.087 -0.422 1.00 0.00 C ATOM 506 CD2 LEU A 32 0.937 -3.043 -0.350 1.00 0.00 C ATOM 0 H LEU A 32 -1.601 -0.727 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.994 -2.284 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.704 -2.799 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.113 -1.282 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.886 -2.114 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.140 -4.573 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.400 -3.891 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.006 -4.739 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.131 -3.528 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.263 -3.695 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.487 -2.103 -0.398 1.00 0.00 H new ATOM 518 N ARG A 33 -3.217 -0.590 0.181 1.00 0.00 N ATOM 519 CA ARG A 33 -3.396 0.471 1.213 1.00 0.00 C ATOM 520 C ARG A 33 -2.163 0.539 2.118 1.00 0.00 C ATOM 521 O ARG A 33 -1.622 -0.470 2.520 1.00 0.00 O ATOM 522 CB ARG A 33 -4.626 0.038 2.012 1.00 0.00 C ATOM 523 CG ARG A 33 -5.862 0.087 1.111 1.00 0.00 C ATOM 524 CD ARG A 33 -7.107 -0.240 1.937 1.00 0.00 C ATOM 525 NE ARG A 33 -8.207 -0.363 0.938 1.00 0.00 N ATOM 526 CZ ARG A 33 -8.795 0.708 0.478 1.00 0.00 C ATOM 527 NH1 ARG A 33 -8.365 1.891 0.824 1.00 0.00 N ATOM 528 NH2 ARG A 33 -9.815 0.596 -0.328 1.00 0.00 N ATOM 0 H ARG A 33 -3.771 -1.434 0.325 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.522 1.461 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.485 -0.971 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.763 0.693 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.959 1.076 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.758 -0.626 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.977 -1.165 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.318 0.546 2.662 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.500 -1.285 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.568 1.980 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.826 2.727 0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.152 -0.328 -0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.275 1.432 -0.688 1.00 0.00 H new ATOM 542 N ASN A 34 -1.714 1.722 2.441 1.00 0.00 N ATOM 543 CA ASN A 34 -0.515 1.846 3.319 1.00 0.00 C ATOM 544 C ASN A 34 -0.511 3.203 4.030 1.00 0.00 C ATOM 545 O ASN A 34 0.509 3.660 4.509 1.00 0.00 O ATOM 546 CB ASN A 34 0.682 1.732 2.373 1.00 0.00 C ATOM 547 CG ASN A 34 0.843 3.038 1.591 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.069 3.837 1.527 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.974 3.288 0.991 1.00 0.00 N ATOM 0 H ASN A 34 -2.124 2.605 2.136 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.495 1.083 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.589 1.522 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.537 0.899 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.093 4.155 0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.740 2.616 1.045 1.00 0.00 H new ATOM 556 N PHE A 35 -1.640 3.852 4.103 1.00 0.00 N ATOM 557 CA PHE A 35 -1.695 5.175 4.781 1.00 0.00 C ATOM 558 C PHE A 35 -2.240 5.018 6.204 1.00 0.00 C ATOM 559 O PHE A 35 -2.684 5.968 6.817 1.00 0.00 O ATOM 560 CB PHE A 35 -2.651 6.004 3.927 1.00 0.00 C ATOM 561 CG PHE A 35 -2.080 6.157 2.537 1.00 0.00 C ATOM 562 CD1 PHE A 35 -1.157 7.173 2.265 1.00 0.00 C ATOM 563 CD2 PHE A 35 -2.475 5.279 1.519 1.00 0.00 C ATOM 564 CE1 PHE A 35 -0.628 7.314 0.977 1.00 0.00 C ATOM 565 CE2 PHE A 35 -1.946 5.419 0.231 1.00 0.00 C ATOM 566 CZ PHE A 35 -1.023 6.437 -0.041 1.00 0.00 C ATOM 0 H PHE A 35 -2.527 3.522 3.722 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.714 5.641 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.626 5.520 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.803 6.984 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.852 7.849 3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.187 4.495 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.084 8.099 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.250 4.742 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.616 6.546 -1.035 1.00 0.00 H new ATOM 576 N ALA A 36 -2.213 3.824 6.731 1.00 0.00 N ATOM 577 CA ALA A 36 -2.733 3.604 8.111 1.00 0.00 C ATOM 578 C ALA A 36 -2.023 4.536 9.102 1.00 0.00 C ATOM 579 O ALA A 36 -0.820 4.697 9.045 1.00 0.00 O ATOM 580 CB ALA A 36 -2.410 2.144 8.425 1.00 0.00 C ATOM 0 H ALA A 36 -1.853 2.991 6.265 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.800 3.813 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.762 1.901 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.905 1.498 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.332 1.990 8.371 1.00 0.00 H new ATOM 586 N PRO A 37 -2.796 5.123 9.980 1.00 0.00 N ATOM 587 CA PRO A 37 -2.240 6.050 10.996 1.00 0.00 C ATOM 588 C PRO A 37 -1.268 5.316 11.925 1.00 0.00 C ATOM 589 O PRO A 37 -0.619 4.365 11.535 1.00 0.00 O ATOM 590 CB PRO A 37 -3.490 6.506 11.756 1.00 0.00 C ATOM 591 CG PRO A 37 -4.723 5.813 11.142 1.00 0.00 C ATOM 592 CD PRO A 37 -4.259 4.894 10.005 1.00 0.00 C ATOM 0 HA PRO A 37 -1.671 6.876 10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.402 6.254 12.813 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.596 7.589 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.249 5.236 11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.424 6.557 10.764 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.502 3.850 10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.726 5.156 9.056 1.00 0.00 H new ATOM 600 N ILE A 38 -1.164 5.750 13.152 1.00 0.00 N ATOM 601 CA ILE A 38 -0.236 5.077 14.106 1.00 0.00 C ATOM 602 C ILE A 38 -1.027 4.205 15.088 1.00 0.00 C ATOM 603 O ILE A 38 -2.079 4.596 15.550 1.00 0.00 O ATOM 604 CB ILE A 38 0.464 6.219 14.847 1.00 0.00 C ATOM 605 CG1 ILE A 38 1.545 6.822 13.949 1.00 0.00 C ATOM 606 CG2 ILE A 38 1.106 5.685 16.129 1.00 0.00 C ATOM 607 CD1 ILE A 38 0.983 8.047 13.224 1.00 0.00 C ATOM 0 H ILE A 38 -1.681 6.541 13.535 1.00 0.00 H new ATOM 0 HA ILE A 38 0.474 4.422 13.601 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.268 6.985 15.102 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.412 7.106 14.546 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.885 6.082 13.225 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.603 6.501 16.654 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.336 5.257 16.771 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.837 4.917 15.877 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.754 8.476 12.584 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.130 7.749 12.615 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.665 8.789 13.956 1.00 0.00 H new ATOM 619 N PRO A 39 -0.492 3.045 15.374 1.00 0.00 N ATOM 620 CA PRO A 39 -1.155 2.108 16.310 1.00 0.00 C ATOM 621 C PRO A 39 -1.262 2.726 17.707 1.00 0.00 C ATOM 622 O PRO A 39 -0.805 3.825 17.946 1.00 0.00 O ATOM 623 CB PRO A 39 -0.206 0.906 16.311 1.00 0.00 C ATOM 624 CG PRO A 39 0.975 1.207 15.368 1.00 0.00 C ATOM 625 CD PRO A 39 0.795 2.613 14.780 1.00 0.00 C ATOM 0 HA PRO A 39 -2.175 1.851 16.023 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.157 0.712 17.320 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.732 0.009 15.983 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.917 1.144 15.912 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.018 0.467 14.569 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.614 3.277 15.058 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.754 2.596 13.691 1.00 0.00 H new ATOM 633 N GLY A 40 -1.862 2.026 18.631 1.00 0.00 N ATOM 634 CA GLY A 40 -1.997 2.574 20.011 1.00 0.00 C ATOM 635 C GLY A 40 -3.453 2.971 20.263 1.00 0.00 C ATOM 636 O GLY A 40 -3.777 3.566 21.272 1.00 0.00 O ATOM 0 H GLY A 40 -2.264 1.099 18.490 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.680 1.830 20.742 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.346 3.440 20.135 1.00 0.00 H new ATOM 640 N GLU A 41 -4.332 2.646 19.355 1.00 0.00 N ATOM 641 CA GLU A 41 -5.767 3.006 19.544 1.00 0.00 C ATOM 642 C GLU A 41 -6.458 1.967 20.435 1.00 0.00 C ATOM 643 O GLU A 41 -6.142 0.796 20.377 1.00 0.00 O ATOM 644 CB GLU A 41 -6.369 2.991 18.139 1.00 0.00 C ATOM 645 CG GLU A 41 -5.716 4.087 17.294 1.00 0.00 C ATOM 646 CD GLU A 41 -6.384 4.135 15.917 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.472 4.677 15.828 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.793 3.630 14.977 1.00 0.00 O ATOM 0 H GLU A 41 -4.119 2.147 18.491 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.890 3.975 20.029 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.213 2.017 17.675 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.446 3.150 18.191 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.814 5.052 17.792 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.649 3.891 17.186 1.00 0.00 H new ATOM 655 N PRO A 42 -7.383 2.432 21.234 1.00 0.00 N ATOM 656 CA PRO A 42 -8.128 1.535 22.148 1.00 0.00 C ATOM 657 C PRO A 42 -8.913 0.491 21.347 1.00 0.00 C ATOM 658 O PRO A 42 -9.724 0.822 20.505 1.00 0.00 O ATOM 659 CB PRO A 42 -9.075 2.500 22.867 1.00 0.00 C ATOM 660 CG PRO A 42 -8.831 3.925 22.332 1.00 0.00 C ATOM 661 CD PRO A 42 -7.731 3.871 21.265 1.00 0.00 C ATOM 0 HA PRO A 42 -7.490 0.972 22.829 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.111 2.206 22.700 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.903 2.466 23.943 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.749 4.331 21.907 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.536 4.588 23.145 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.087 4.223 20.297 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.875 4.490 21.534 1.00 0.00 H new ATOM 669 N VAL A 43 -8.677 -0.768 21.600 1.00 0.00 N ATOM 670 CA VAL A 43 -9.412 -1.826 20.847 1.00 0.00 C ATOM 671 C VAL A 43 -9.760 -2.998 21.770 1.00 0.00 C ATOM 672 O VAL A 43 -9.143 -3.200 22.796 1.00 0.00 O ATOM 673 CB VAL A 43 -8.445 -2.275 19.750 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.072 -3.425 18.958 1.00 0.00 C ATOM 675 CG2 VAL A 43 -8.161 -1.101 18.808 1.00 0.00 C ATOM 0 H VAL A 43 -8.010 -1.109 22.292 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.353 -1.459 20.438 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.512 -2.611 20.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.384 -3.746 18.176 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.275 -4.260 19.628 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.005 -3.089 18.505 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.472 -1.420 18.026 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.093 -0.764 18.355 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.715 -0.282 19.372 1.00 0.00 H new ATOM 685 N VAL A 44 -10.745 -3.772 21.404 1.00 0.00 N ATOM 686 CA VAL A 44 -11.144 -4.939 22.243 1.00 0.00 C ATOM 687 C VAL A 44 -11.625 -4.487 23.628 1.00 0.00 C ATOM 688 O VAL A 44 -11.172 -4.997 24.633 1.00 0.00 O ATOM 689 CB VAL A 44 -9.879 -5.788 22.366 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.215 -7.102 23.073 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.329 -6.086 20.970 1.00 0.00 C ATOM 0 H VAL A 44 -11.294 -3.645 20.554 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.972 -5.491 21.798 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.131 -5.246 22.944 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.314 -7.708 23.161 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.609 -6.890 24.067 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.963 -7.645 22.495 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.427 -6.691 21.056 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.077 -6.629 20.393 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.091 -5.150 20.465 1.00 0.00 H new ATOM 701 N PRO A 45 -12.544 -3.555 23.639 1.00 0.00 N ATOM 702 CA PRO A 45 -13.103 -3.050 24.915 1.00 0.00 C ATOM 703 C PRO A 45 -13.837 -4.180 25.645 1.00 0.00 C ATOM 704 O PRO A 45 -13.451 -5.329 25.573 1.00 0.00 O ATOM 705 CB PRO A 45 -14.084 -1.971 24.447 1.00 0.00 C ATOM 706 CG PRO A 45 -14.053 -1.905 22.908 1.00 0.00 C ATOM 707 CD PRO A 45 -13.066 -2.957 22.388 1.00 0.00 C ATOM 0 HA PRO A 45 -12.354 -2.673 25.612 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.091 -2.200 24.795 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.813 -1.005 24.872 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.048 -2.088 22.502 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.752 -0.910 22.579 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.558 -3.699 21.759 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.272 -2.508 21.791 1.00 0.00 H new ATOM 715 N ILE A 46 -14.898 -3.866 26.338 1.00 0.00 N ATOM 716 CA ILE A 46 -15.658 -4.928 27.057 1.00 0.00 C ATOM 717 C ILE A 46 -16.290 -5.883 26.041 1.00 0.00 C ATOM 718 O ILE A 46 -16.454 -7.059 26.292 1.00 0.00 O ATOM 719 CB ILE A 46 -16.739 -4.183 27.840 1.00 0.00 C ATOM 720 CG1 ILE A 46 -16.083 -3.136 28.742 1.00 0.00 C ATOM 721 CG2 ILE A 46 -17.527 -5.176 28.698 1.00 0.00 C ATOM 722 CD1 ILE A 46 -14.929 -3.780 29.513 1.00 0.00 C ATOM 0 H ILE A 46 -15.271 -2.922 26.437 1.00 0.00 H new ATOM 0 HA ILE A 46 -15.025 -5.525 27.714 1.00 0.00 H new ATOM 0 HB ILE A 46 -17.417 -3.690 27.144 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.715 -2.303 28.143 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -16.817 -2.728 29.437 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.297 -4.644 29.256 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -17.995 -5.922 28.055 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -16.851 -5.671 29.395 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.461 -3.035 30.156 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -15.311 -4.598 30.124 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.192 -4.166 28.809 1.00 0.00 H new ATOM 734 N LEU A 47 -16.637 -5.375 24.890 1.00 0.00 N ATOM 735 CA LEU A 47 -17.252 -6.238 23.841 1.00 0.00 C ATOM 736 C LEU A 47 -16.907 -5.685 22.457 1.00 0.00 C ATOM 737 O LEU A 47 -17.748 -5.147 21.766 1.00 0.00 O ATOM 738 CB LEU A 47 -18.759 -6.160 24.092 1.00 0.00 C ATOM 739 CG LEU A 47 -19.224 -4.709 23.947 1.00 0.00 C ATOM 740 CD1 LEU A 47 -20.190 -4.598 22.766 1.00 0.00 C ATOM 741 CD2 LEU A 47 -19.934 -4.272 25.231 1.00 0.00 C ATOM 0 H LEU A 47 -16.521 -4.396 24.630 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.892 -7.266 23.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.290 -6.796 23.384 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -18.992 -6.530 25.090 1.00 0.00 H new ATOM 0 HG LEU A 47 -18.362 -4.066 23.771 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.521 -3.565 22.663 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -19.685 -4.910 21.852 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.053 -5.240 22.941 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.266 -3.239 25.130 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -20.797 -4.915 25.407 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.246 -4.351 26.072 1.00 0.00 H new ATOM 753 N CYS A 48 -15.675 -5.823 22.047 1.00 0.00 N ATOM 754 CA CYS A 48 -15.265 -5.313 20.704 1.00 0.00 C ATOM 755 C CYS A 48 -15.625 -3.829 20.560 1.00 0.00 C ATOM 756 O CYS A 48 -16.738 -3.419 20.823 1.00 0.00 O ATOM 757 CB CYS A 48 -16.053 -6.158 19.705 1.00 0.00 C ATOM 758 SG CYS A 48 -15.531 -7.886 19.836 1.00 0.00 S ATOM 0 H CYS A 48 -14.932 -6.268 22.585 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.189 -5.390 20.546 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.121 -6.073 19.903 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.887 -5.792 18.692 1.00 0.00 H new ATOM 763 N SER A 49 -14.691 -3.019 20.143 1.00 0.00 N ATOM 764 CA SER A 49 -14.982 -1.566 19.984 1.00 0.00 C ATOM 765 C SER A 49 -15.774 -1.325 18.699 1.00 0.00 C ATOM 766 O SER A 49 -16.945 -1.005 18.732 1.00 0.00 O ATOM 767 CB SER A 49 -13.611 -0.894 19.904 1.00 0.00 C ATOM 768 OG SER A 49 -13.780 0.509 19.756 1.00 0.00 O ATOM 0 H SER A 49 -13.740 -3.300 19.906 1.00 0.00 H new ATOM 0 HA SER A 49 -15.581 -1.172 20.805 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.036 -1.109 20.804 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.046 -1.294 19.062 1.00 0.00 H new ATOM 0 HG SER A 49 -12.902 0.941 19.706 1.00 0.00 H new ATOM 774 N ASN A 50 -15.142 -1.477 17.571 1.00 0.00 N ATOM 775 CA ASN A 50 -15.850 -1.258 16.277 1.00 0.00 C ATOM 776 C ASN A 50 -16.750 -2.456 15.955 1.00 0.00 C ATOM 777 O ASN A 50 -16.264 -3.536 15.682 1.00 0.00 O ATOM 778 CB ASN A 50 -14.733 -1.141 15.238 1.00 0.00 C ATOM 779 CG ASN A 50 -14.436 0.334 14.960 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.917 0.673 13.914 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.742 1.230 15.857 1.00 0.00 N ATOM 0 H ASN A 50 -14.161 -1.745 17.487 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.490 -0.376 16.299 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.834 -1.641 15.599 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.028 -1.642 14.316 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.546 2.215 15.681 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.177 0.945 16.734 1.00 0.00 H new ATOM 788 N PRO A 51 -18.039 -2.230 15.994 1.00 0.00 N ATOM 789 CA PRO A 51 -19.013 -3.306 15.698 1.00 0.00 C ATOM 790 C PRO A 51 -18.862 -3.776 14.249 1.00 0.00 C ATOM 791 O PRO A 51 -19.435 -4.768 13.844 1.00 0.00 O ATOM 792 CB PRO A 51 -20.360 -2.610 15.911 1.00 0.00 C ATOM 793 CG PRO A 51 -20.101 -1.148 16.326 1.00 0.00 C ATOM 794 CD PRO A 51 -18.588 -0.897 16.334 1.00 0.00 C ATOM 0 HA PRO A 51 -18.887 -4.195 16.316 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.952 -2.644 14.996 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.934 -3.125 16.681 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.593 -0.466 15.632 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.521 -0.956 17.313 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.298 -0.141 15.604 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.239 -0.551 17.307 1.00 0.00 H new ATOM 802 N ASN A 52 -18.096 -3.068 13.465 1.00 0.00 N ATOM 803 CA ASN A 52 -17.911 -3.472 12.042 1.00 0.00 C ATOM 804 C ASN A 52 -16.420 -3.581 11.714 1.00 0.00 C ATOM 805 O ASN A 52 -16.001 -3.348 10.598 1.00 0.00 O ATOM 806 CB ASN A 52 -18.567 -2.358 11.227 1.00 0.00 C ATOM 807 CG ASN A 52 -20.077 -2.374 11.468 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.615 -3.345 11.961 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.790 -1.333 11.137 1.00 0.00 N ATOM 0 H ASN A 52 -17.591 -2.228 13.748 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.352 -4.445 11.825 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.152 -1.391 11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.355 -2.495 10.167 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.798 -1.335 11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.339 -0.517 10.723 1.00 0.00 H new ATOM 816 N PHE A 53 -15.620 -3.949 12.676 1.00 0.00 N ATOM 817 CA PHE A 53 -14.158 -4.091 12.417 1.00 0.00 C ATOM 818 C PHE A 53 -13.903 -5.435 11.735 1.00 0.00 C ATOM 819 O PHE A 53 -14.830 -6.182 11.494 1.00 0.00 O ATOM 820 CB PHE A 53 -13.495 -4.034 13.801 1.00 0.00 C ATOM 821 CG PHE A 53 -13.497 -5.405 14.442 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.685 -6.145 14.519 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.310 -5.937 14.967 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.686 -7.410 15.116 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.312 -7.204 15.566 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.500 -7.940 15.639 1.00 0.00 C ATOM 0 H PHE A 53 -15.914 -4.158 13.630 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.761 -3.314 11.763 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.472 -3.671 13.707 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.027 -3.327 14.438 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.601 -5.738 14.117 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.393 -5.369 14.910 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.602 -7.979 15.174 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.398 -7.612 15.971 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.502 -8.917 16.099 1.00 0.00 H new ATOM 836 N PRO A 54 -12.659 -5.714 11.453 1.00 0.00 N ATOM 837 CA PRO A 54 -12.313 -6.993 10.805 1.00 0.00 C ATOM 838 C PRO A 54 -12.773 -8.145 11.698 1.00 0.00 C ATOM 839 O PRO A 54 -11.987 -8.777 12.375 1.00 0.00 O ATOM 840 CB PRO A 54 -10.787 -6.916 10.698 1.00 0.00 C ATOM 841 CG PRO A 54 -10.321 -5.567 11.282 1.00 0.00 C ATOM 842 CD PRO A 54 -11.549 -4.785 11.764 1.00 0.00 C ATOM 0 HA PRO A 54 -12.782 -7.160 9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.327 -7.742 11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.476 -7.006 9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.631 -5.732 12.109 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.782 -4.995 10.527 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.495 -4.559 12.829 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.656 -3.834 11.242 1.00 0.00 H new ATOM 850 N GLU A 55 -14.053 -8.396 11.719 1.00 0.00 N ATOM 851 CA GLU A 55 -14.596 -9.480 12.582 1.00 0.00 C ATOM 852 C GLU A 55 -13.657 -10.686 12.567 1.00 0.00 C ATOM 853 O GLU A 55 -13.575 -11.428 13.525 1.00 0.00 O ATOM 854 CB GLU A 55 -15.952 -9.826 11.973 1.00 0.00 C ATOM 855 CG GLU A 55 -16.648 -10.873 12.843 1.00 0.00 C ATOM 856 CD GLU A 55 -17.959 -11.295 12.178 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.226 -10.819 11.087 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.674 -12.087 12.771 1.00 0.00 O ATOM 0 H GLU A 55 -14.750 -7.892 11.171 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.692 -9.177 13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.569 -8.930 11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.821 -10.207 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.000 -11.739 12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.845 -10.465 13.835 1.00 0.00 H new ATOM 865 N GLU A 56 -12.925 -10.874 11.505 1.00 0.00 N ATOM 866 CA GLU A 56 -11.975 -12.018 11.470 1.00 0.00 C ATOM 867 C GLU A 56 -11.073 -11.941 12.707 1.00 0.00 C ATOM 868 O GLU A 56 -10.450 -12.905 13.102 1.00 0.00 O ATOM 869 CB GLU A 56 -11.162 -11.827 10.190 1.00 0.00 C ATOM 870 CG GLU A 56 -12.079 -11.995 8.975 1.00 0.00 C ATOM 871 CD GLU A 56 -12.714 -13.387 9.001 1.00 0.00 C ATOM 872 OE1 GLU A 56 -12.192 -14.242 9.697 1.00 0.00 O ATOM 873 OE2 GLU A 56 -13.712 -13.574 8.325 1.00 0.00 O ATOM 0 H GLU A 56 -12.943 -10.291 10.668 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.470 -12.989 11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.705 -10.837 10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.350 -12.553 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.855 -11.230 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.509 -11.861 8.055 1.00 0.00 H new ATOM 880 N LEU A 57 -11.023 -10.790 13.327 1.00 0.00 N ATOM 881 CA LEU A 57 -10.188 -10.624 14.550 1.00 0.00 C ATOM 882 C LEU A 57 -11.032 -10.922 15.793 1.00 0.00 C ATOM 883 O LEU A 57 -10.620 -10.678 16.911 1.00 0.00 O ATOM 884 CB LEU A 57 -9.755 -9.156 14.546 1.00 0.00 C ATOM 885 CG LEU A 57 -8.971 -8.851 13.268 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.560 -7.378 13.266 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.719 -9.724 13.216 1.00 0.00 C ATOM 0 H LEU A 57 -11.529 -9.954 13.035 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.332 -11.299 14.562 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.630 -8.509 14.610 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.139 -8.947 15.420 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.596 -9.060 12.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.001 -7.157 12.357 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.451 -6.752 13.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.934 -7.174 14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.161 -9.506 12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.093 -9.515 14.084 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.008 -10.775 13.222 1.00 0.00 H new ATOM 899 N LYS A 58 -12.218 -11.441 15.603 1.00 0.00 N ATOM 900 CA LYS A 58 -13.099 -11.751 16.765 1.00 0.00 C ATOM 901 C LYS A 58 -12.284 -12.327 17.925 1.00 0.00 C ATOM 902 O LYS A 58 -12.378 -11.846 19.036 1.00 0.00 O ATOM 903 CB LYS A 58 -14.097 -12.785 16.242 1.00 0.00 C ATOM 904 CG LYS A 58 -15.492 -12.161 16.183 1.00 0.00 C ATOM 905 CD LYS A 58 -16.390 -12.815 17.236 1.00 0.00 C ATOM 906 CE LYS A 58 -17.326 -13.817 16.557 1.00 0.00 C ATOM 907 NZ LYS A 58 -16.555 -15.092 16.513 1.00 0.00 N ATOM 0 H LYS A 58 -12.614 -11.663 14.690 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.596 -10.860 17.148 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.797 -13.127 15.251 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.105 -13.660 16.892 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.429 -11.087 16.360 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.921 -12.296 15.190 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.781 -13.320 17.986 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.971 -12.054 17.757 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.253 -13.935 17.118 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.600 -13.486 15.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.131 -15.830 16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.681 -14.951 15.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.314 -15.386 17.481 1.00 0.00 H new ATOM 921 N PRO A 59 -11.499 -13.335 17.638 1.00 0.00 N ATOM 922 CA PRO A 59 -10.664 -13.954 18.688 1.00 0.00 C ATOM 923 C PRO A 59 -9.816 -12.882 19.374 1.00 0.00 C ATOM 924 O PRO A 59 -9.688 -12.860 20.583 1.00 0.00 O ATOM 925 CB PRO A 59 -9.809 -14.947 17.896 1.00 0.00 C ATOM 926 CG PRO A 59 -10.208 -14.863 16.409 1.00 0.00 C ATOM 927 CD PRO A 59 -11.396 -13.901 16.272 1.00 0.00 C ATOM 0 HA PRO A 59 -11.226 -14.437 19.487 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.751 -14.716 18.017 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.959 -15.959 18.271 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.367 -14.512 15.811 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.476 -15.850 16.033 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.211 -13.130 15.524 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.308 -14.420 15.976 1.00 0.00 H new ATOM 935 N LEU A 60 -9.246 -11.983 18.619 1.00 0.00 N ATOM 936 CA LEU A 60 -8.424 -10.910 19.240 1.00 0.00 C ATOM 937 C LEU A 60 -9.269 -10.129 20.249 1.00 0.00 C ATOM 938 O LEU A 60 -8.801 -9.750 21.302 1.00 0.00 O ATOM 939 CB LEU A 60 -8.009 -10.007 18.079 1.00 0.00 C ATOM 940 CG LEU A 60 -6.966 -8.996 18.559 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.830 -8.914 17.538 1.00 0.00 C ATOM 942 CD2 LEU A 60 -7.622 -7.621 18.702 1.00 0.00 C ATOM 0 H LEU A 60 -9.314 -11.946 17.602 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.561 -11.304 19.777 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.600 -10.608 17.267 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.880 -9.485 17.682 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.567 -9.312 19.523 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.086 -8.194 17.879 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.365 -9.894 17.432 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.229 -8.596 16.575 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.881 -6.898 19.044 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.019 -7.305 17.737 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.434 -7.679 19.427 1.00 0.00 H new ATOM 954 N CYS A 61 -10.513 -9.887 19.937 1.00 0.00 N ATOM 955 CA CYS A 61 -11.383 -9.130 20.881 1.00 0.00 C ATOM 956 C CYS A 61 -11.563 -9.910 22.186 1.00 0.00 C ATOM 957 O CYS A 61 -11.751 -9.337 23.239 1.00 0.00 O ATOM 958 CB CYS A 61 -12.721 -8.989 20.155 1.00 0.00 C ATOM 959 SG CYS A 61 -13.827 -7.928 21.118 1.00 0.00 S ATOM 0 H CYS A 61 -10.964 -10.180 19.070 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.956 -8.164 21.148 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.565 -8.564 19.164 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.174 -9.970 20.013 1.00 0.00 H new ATOM 964 N LYS A 62 -11.506 -11.211 22.126 1.00 0.00 N ATOM 965 CA LYS A 62 -11.673 -12.018 23.367 1.00 0.00 C ATOM 966 C LYS A 62 -10.314 -12.538 23.826 1.00 0.00 C ATOM 967 O LYS A 62 -10.206 -13.597 24.410 1.00 0.00 O ATOM 968 CB LYS A 62 -12.586 -13.178 22.966 1.00 0.00 C ATOM 969 CG LYS A 62 -13.948 -12.631 22.534 1.00 0.00 C ATOM 970 CD LYS A 62 -14.911 -13.794 22.280 1.00 0.00 C ATOM 971 CE LYS A 62 -16.211 -13.254 21.683 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.784 -12.435 20.515 1.00 0.00 N ATOM 0 H LYS A 62 -11.351 -11.750 21.274 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.094 -11.440 24.190 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.135 -13.745 22.151 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.707 -13.865 23.803 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.350 -11.975 23.306 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.840 -12.031 21.631 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.457 -14.515 21.600 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.117 -14.321 23.212 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.872 -14.065 21.377 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.759 -12.653 22.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.577 -12.341 19.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.491 -11.492 20.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.985 -12.900 20.039 1.00 0.00 H new ATOM 986 N GLU A 63 -9.271 -11.803 23.552 1.00 0.00 N ATOM 987 CA GLU A 63 -7.912 -12.255 23.954 1.00 0.00 C ATOM 988 C GLU A 63 -7.177 -11.139 24.704 1.00 0.00 C ATOM 989 O GLU A 63 -7.212 -9.995 24.297 1.00 0.00 O ATOM 990 CB GLU A 63 -7.207 -12.546 22.629 1.00 0.00 C ATOM 991 CG GLU A 63 -6.990 -14.051 22.456 1.00 0.00 C ATOM 992 CD GLU A 63 -8.115 -14.836 23.138 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.242 -14.730 22.686 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.826 -15.531 24.099 1.00 0.00 O ATOM 0 H GLU A 63 -9.303 -10.907 23.066 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.940 -13.119 24.618 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.803 -12.161 21.801 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.248 -12.029 22.599 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.956 -14.300 21.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.028 -14.337 22.882 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.520 -11.508 25.770 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.758 -10.525 26.569 1.00 0.00 C ATOM 1003 C PRO A 64 -4.613 -9.948 25.731 1.00 0.00 C ATOM 1004 O PRO A 64 -4.163 -8.842 25.956 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.222 -11.374 27.726 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.702 -12.827 27.537 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.506 -12.915 26.233 1.00 0.00 C ATOM 0 HA PRO A 64 -6.347 -9.672 26.905 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.133 -11.336 27.750 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.575 -10.980 28.679 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.849 -13.505 27.501 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.318 -13.134 28.382 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.032 -13.576 25.508 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.513 -13.297 26.402 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.132 -10.696 24.773 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.008 -10.195 23.930 1.00 0.00 C ATOM 1017 C ASN A 65 -3.526 -9.264 22.827 1.00 0.00 C ATOM 1018 O ASN A 65 -2.760 -8.597 22.160 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.385 -11.451 23.323 1.00 0.00 C ATOM 1020 CG ASN A 65 -1.958 -12.399 24.445 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.300 -13.565 24.434 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.218 -11.945 25.418 1.00 0.00 N ATOM 0 H ASN A 65 -4.468 -11.630 24.539 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.289 -9.616 24.510 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.102 -11.945 22.667 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.524 -11.184 22.710 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.926 -12.569 26.170 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.931 -10.966 25.427 1.00 0.00 H new ATOM 1029 N ALA A 66 -4.814 -9.211 22.626 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.359 -8.319 21.562 1.00 0.00 C ATOM 1031 C ALA A 66 -4.737 -6.927 21.673 1.00 0.00 C ATOM 1032 O ALA A 66 -4.440 -6.288 20.682 1.00 0.00 O ATOM 1033 CB ALA A 66 -6.864 -8.255 21.817 1.00 0.00 C ATOM 0 H ALA A 66 -5.510 -9.743 23.149 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.136 -8.691 20.562 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.333 -7.614 21.070 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.287 -9.257 21.752 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.048 -7.848 22.811 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.532 -6.452 22.871 1.00 0.00 N ATOM 1040 CA GLN A 67 -3.922 -5.102 23.038 1.00 0.00 C ATOM 1041 C GLN A 67 -2.560 -5.060 22.342 1.00 0.00 C ATOM 1042 O GLN A 67 -2.213 -4.092 21.695 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.760 -4.922 24.548 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.140 -4.804 25.198 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.979 -4.600 26.705 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.914 -4.814 27.248 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -6.000 -4.192 27.408 1.00 0.00 N ATOM 0 H GLN A 67 -4.759 -6.938 23.738 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.532 -4.312 22.601 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.219 -5.769 24.970 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.170 -4.030 24.758 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.688 -3.968 24.764 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.724 -5.703 25.002 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.894 -4.012 26.952 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.904 -4.053 28.414 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.792 -6.110 22.459 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.461 -6.136 21.793 1.00 0.00 C ATOM 1058 C GLU A 68 -0.630 -6.484 20.312 1.00 0.00 C ATOM 1059 O GLU A 68 0.031 -5.934 19.453 1.00 0.00 O ATOM 1060 CB GLU A 68 0.325 -7.227 22.519 1.00 0.00 C ATOM 1061 CG GLU A 68 1.752 -7.280 21.970 1.00 0.00 C ATOM 1062 CD GLU A 68 2.502 -8.451 22.608 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.881 -9.185 23.360 1.00 0.00 O ATOM 1064 OE2 GLU A 68 3.682 -8.593 22.335 1.00 0.00 O ATOM 0 H GLU A 68 -2.030 -6.950 22.987 1.00 0.00 H new ATOM 0 HA GLU A 68 0.049 -5.174 21.840 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.343 -7.025 23.590 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.164 -8.192 22.385 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.732 -7.395 20.886 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.269 -6.344 22.182 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.518 -7.394 20.008 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.737 -7.775 18.583 1.00 0.00 C ATOM 1073 C ILE A 69 -2.291 -6.582 17.803 1.00 0.00 C ATOM 1074 O ILE A 69 -1.782 -6.215 16.763 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.768 -8.901 18.621 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.222 -10.076 19.434 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.062 -9.362 17.193 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.311 -11.144 19.574 1.00 0.00 C ATOM 0 H ILE A 69 -2.100 -7.889 20.684 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.813 -8.085 18.095 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.684 -8.538 19.087 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.345 -10.497 18.942 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.903 -9.735 20.419 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.798 -10.166 17.214 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.455 -8.526 16.614 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.143 -9.723 16.731 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.925 -11.983 20.153 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.175 -10.718 20.084 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.609 -11.492 18.585 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.334 -5.976 18.300 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.925 -4.808 17.591 1.00 0.00 C ATOM 1092 C LEU A 70 -2.823 -3.834 17.173 1.00 0.00 C ATOM 1093 O LEU A 70 -2.654 -3.537 16.008 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.859 -4.153 18.611 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.445 -2.870 18.017 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.419 -1.741 18.126 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.794 -3.101 16.544 1.00 0.00 C ATOM 0 H LEU A 70 -3.802 -6.240 19.167 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.454 -5.101 16.684 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.661 -4.841 18.880 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.313 -3.926 19.527 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.346 -2.596 18.565 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.837 -0.828 17.703 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.171 -1.575 19.174 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.517 -2.015 17.579 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.211 -2.187 16.121 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.893 -3.376 15.995 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.526 -3.905 16.465 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.067 -3.341 18.114 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.973 -2.390 17.769 1.00 0.00 C ATOM 1111 C GLN A 71 -0.195 -2.900 16.554 1.00 0.00 C ATOM 1112 O GLN A 71 0.007 -2.190 15.589 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.078 -2.365 19.008 1.00 0.00 C ATOM 1114 CG GLN A 71 0.911 -1.203 18.905 1.00 0.00 C ATOM 1115 CD GLN A 71 1.823 -1.203 20.133 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.598 -1.943 21.070 1.00 0.00 O ATOM 1117 NE2 GLN A 71 2.852 -0.401 20.167 1.00 0.00 N ATOM 0 H GLN A 71 -2.159 -3.555 19.107 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.346 -1.399 17.512 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.686 -2.259 19.906 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.462 -3.308 19.098 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.506 -1.296 17.996 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.373 -0.258 18.838 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.041 0.220 19.380 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.468 -0.395 20.980 1.00 0.00 H new ATOM 1126 N ARG A 72 0.245 -4.128 16.597 1.00 0.00 N ATOM 1127 CA ARG A 72 1.013 -4.688 15.449 1.00 0.00 C ATOM 1128 C ARG A 72 0.175 -4.633 14.167 1.00 0.00 C ATOM 1129 O ARG A 72 0.580 -4.062 13.175 1.00 0.00 O ATOM 1130 CB ARG A 72 1.304 -6.138 15.841 1.00 0.00 C ATOM 1131 CG ARG A 72 2.102 -6.164 17.146 1.00 0.00 C ATOM 1132 CD ARG A 72 3.543 -5.733 16.873 1.00 0.00 C ATOM 1133 NE ARG A 72 4.133 -6.856 16.093 1.00 0.00 N ATOM 1134 CZ ARG A 72 5.370 -6.791 15.686 1.00 0.00 C ATOM 1135 NH1 ARG A 72 6.254 -6.132 16.385 1.00 0.00 N ATOM 1136 NH2 ARG A 72 5.726 -7.384 14.579 1.00 0.00 N ATOM 0 H ARG A 72 0.106 -4.768 17.379 1.00 0.00 H new ATOM 0 HA ARG A 72 1.926 -4.127 15.250 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.370 -6.687 15.962 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.865 -6.634 15.049 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.645 -5.498 17.877 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.086 -7.166 17.574 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.577 -4.800 16.311 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.089 -5.566 17.802 1.00 0.00 H new ATOM 0 HE ARG A 72 3.568 -7.678 15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.977 -5.668 17.250 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.222 -6.081 16.066 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.036 -7.899 14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.694 -7.333 14.261 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.989 -5.224 14.179 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.846 -5.207 12.959 1.00 0.00 C ATOM 1152 C LEU A 73 -1.918 -3.791 12.383 1.00 0.00 C ATOM 1153 O LEU A 73 -1.659 -3.571 11.218 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.229 -5.659 13.430 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.126 -7.053 14.048 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.531 -7.577 14.353 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.433 -7.995 13.061 1.00 0.00 C ATOM 0 H LEU A 73 -1.383 -5.717 14.980 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.452 -5.854 12.175 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.625 -4.954 14.161 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.925 -5.672 12.591 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.548 -7.003 14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.461 -8.571 14.794 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.026 -6.904 15.053 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.108 -7.630 13.430 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.358 -8.990 13.499 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.013 -8.047 12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.434 -7.620 12.840 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.275 -2.831 13.190 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.368 -1.434 12.684 1.00 0.00 C ATOM 1171 C GLU A 74 -1.028 -0.991 12.090 1.00 0.00 C ATOM 1172 O GLU A 74 -0.973 -0.423 11.016 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.725 -0.593 13.910 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.990 -1.158 14.561 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.598 -0.113 15.498 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.900 0.824 15.844 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.755 -0.269 15.856 1.00 0.00 O ATOM 0 H GLU A 74 -2.506 -2.953 14.176 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.109 -1.330 11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.901 -0.601 14.623 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.885 0.445 13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.712 -1.437 13.794 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.751 -2.064 15.117 1.00 0.00 H new ATOM 1184 N GLU A 75 0.058 -1.245 12.773 1.00 0.00 N ATOM 1185 CA GLU A 75 1.387 -0.835 12.236 1.00 0.00 C ATOM 1186 C GLU A 75 1.621 -1.474 10.865 1.00 0.00 C ATOM 1187 O GLU A 75 1.904 -0.798 9.896 1.00 0.00 O ATOM 1188 CB GLU A 75 2.400 -1.357 13.255 1.00 0.00 C ATOM 1189 CG GLU A 75 3.799 -0.865 12.884 1.00 0.00 C ATOM 1190 CD GLU A 75 4.822 -1.462 13.854 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.413 -2.207 14.730 1.00 0.00 O ATOM 1192 OE2 GLU A 75 5.995 -1.164 13.705 1.00 0.00 O ATOM 0 H GLU A 75 0.081 -1.717 13.677 1.00 0.00 H new ATOM 0 HA GLU A 75 1.466 0.243 12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.136 -1.013 14.255 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.380 -2.447 13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.039 -1.155 11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.836 0.224 12.924 1.00 0.00 H new ATOM 1199 N ILE A 76 1.496 -2.770 10.771 1.00 0.00 N ATOM 1200 CA ILE A 76 1.703 -3.438 9.456 1.00 0.00 C ATOM 1201 C ILE A 76 0.681 -2.907 8.450 1.00 0.00 C ATOM 1202 O ILE A 76 0.960 -2.769 7.276 1.00 0.00 O ATOM 1203 CB ILE A 76 1.479 -4.927 9.722 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.509 -5.424 10.736 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.633 -5.708 8.414 1.00 0.00 C ATOM 1206 CD1 ILE A 76 2.324 -6.925 10.959 1.00 0.00 C ATOM 0 H ILE A 76 1.261 -3.392 11.544 1.00 0.00 H new ATOM 0 HA ILE A 76 2.694 -3.253 9.041 1.00 0.00 H new ATOM 0 HB ILE A 76 0.475 -5.078 10.120 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.517 -5.221 10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.394 -4.889 11.679 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.473 -6.770 8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.899 -5.354 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.637 -5.557 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.059 -7.279 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.320 -7.115 11.339 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.461 -7.453 10.015 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.499 -2.593 8.910 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.535 -2.053 7.987 1.00 0.00 C ATOM 1220 C ALA A 77 -1.003 -0.789 7.311 1.00 0.00 C ATOM 1221 O ALA A 77 -1.304 -0.508 6.167 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.731 -1.722 8.881 1.00 0.00 C ATOM 0 H ALA A 77 -0.789 -2.687 9.883 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.806 -2.756 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.539 -1.317 8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.073 -2.628 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.435 -0.985 9.627 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.205 -0.030 8.012 1.00 0.00 N ATOM 1229 CA GLU A 78 0.356 1.214 7.414 1.00 0.00 C ATOM 1230 C GLU A 78 1.219 0.873 6.195 1.00 0.00 C ATOM 1231 O GLU A 78 1.182 1.552 5.189 1.00 0.00 O ATOM 1232 CB GLU A 78 1.211 1.832 8.521 1.00 0.00 C ATOM 1233 CG GLU A 78 1.738 3.193 8.060 1.00 0.00 C ATOM 1234 CD GLU A 78 2.676 3.764 9.125 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.898 3.088 10.116 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.157 4.868 8.931 1.00 0.00 O ATOM 0 H GLU A 78 0.082 -0.218 8.972 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.422 1.896 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.620 1.948 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.043 1.171 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.267 3.088 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.907 3.877 7.887 1.00 0.00 H new ATOM 1243 N ASP A 79 1.999 -0.172 6.275 1.00 0.00 N ATOM 1244 CA ASP A 79 2.863 -0.548 5.117 1.00 0.00 C ATOM 1245 C ASP A 79 3.026 -2.068 5.049 1.00 0.00 C ATOM 1246 O ASP A 79 2.899 -2.751 6.047 1.00 0.00 O ATOM 1247 CB ASP A 79 4.210 0.123 5.394 1.00 0.00 C ATOM 1248 CG ASP A 79 4.497 1.164 4.309 1.00 0.00 C ATOM 1249 OD1 ASP A 79 3.613 1.417 3.508 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.597 1.691 4.300 1.00 0.00 O ATOM 0 H ASP A 79 2.076 -0.781 7.090 1.00 0.00 H new ATOM 0 HA ASP A 79 2.437 -0.232 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.196 0.599 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.003 -0.625 5.414 1.00 0.00 H new ATOM 1255 N PRO A 80 3.308 -2.552 3.868 1.00 0.00 N ATOM 1256 CA PRO A 80 3.496 -4.006 3.660 1.00 0.00 C ATOM 1257 C PRO A 80 4.635 -4.534 4.535 1.00 0.00 C ATOM 1258 O PRO A 80 4.433 -5.372 5.391 1.00 0.00 O ATOM 1259 CB PRO A 80 3.855 -4.088 2.173 1.00 0.00 C ATOM 1260 CG PRO A 80 3.855 -2.663 1.584 1.00 0.00 C ATOM 1261 CD PRO A 80 3.457 -1.673 2.686 1.00 0.00 C ATOM 0 HA PRO A 80 2.624 -4.604 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.834 -4.549 2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.136 -4.715 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.842 -2.416 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.157 -2.600 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.220 -0.910 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.529 -1.152 2.448 1.00 0.00 H new ATOM 1269 N GLY A 81 5.831 -4.056 4.328 1.00 0.00 N ATOM 1270 CA GLY A 81 6.975 -4.538 5.149 1.00 0.00 C ATOM 1271 C GLY A 81 7.435 -5.897 4.622 1.00 0.00 C ATOM 1272 O GLY A 81 7.498 -6.121 3.429 1.00 0.00 O ATOM 0 H GLY A 81 6.065 -3.353 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.795 -3.822 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.678 -4.622 6.194 1.00 0.00 H new ATOM 1276 N THR A 82 7.753 -6.808 5.499 1.00 0.00 N ATOM 1277 CA THR A 82 8.204 -8.152 5.042 1.00 0.00 C ATOM 1278 C THR A 82 6.992 -9.016 4.682 1.00 0.00 C ATOM 1279 O THR A 82 7.095 -9.977 3.945 1.00 0.00 O ATOM 1280 CB THR A 82 8.952 -8.747 6.235 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.038 -8.978 7.298 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.039 -7.775 6.695 1.00 0.00 C ATOM 0 H THR A 82 7.720 -6.680 6.510 1.00 0.00 H new ATOM 0 HA THR A 82 8.834 -8.099 4.154 1.00 0.00 H new ATOM 0 HB THR A 82 9.413 -9.690 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.527 -9.286 8.089 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.571 -8.201 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.740 -7.600 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.582 -6.830 6.989 1.00 0.00 H new ATOM 1290 N CYS A 83 5.843 -8.681 5.196 1.00 0.00 N ATOM 1291 CA CYS A 83 4.627 -9.482 4.880 1.00 0.00 C ATOM 1292 C CYS A 83 4.455 -9.596 3.363 1.00 0.00 C ATOM 1293 O CYS A 83 4.333 -10.677 2.819 1.00 0.00 O ATOM 1294 CB CYS A 83 3.466 -8.700 5.496 1.00 0.00 C ATOM 1295 SG CYS A 83 2.014 -9.770 5.622 1.00 0.00 S ATOM 0 H CYS A 83 5.692 -7.889 5.820 1.00 0.00 H new ATOM 0 HA CYS A 83 4.685 -10.497 5.272 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.746 -8.331 6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.236 -7.828 4.884 1.00 0.00 H new ATOM 1300 N GLU A 84 4.434 -8.487 2.679 1.00 0.00 N ATOM 1301 CA GLU A 84 4.257 -8.518 1.197 1.00 0.00 C ATOM 1302 C GLU A 84 5.357 -9.348 0.527 1.00 0.00 C ATOM 1303 O GLU A 84 5.143 -9.952 -0.504 1.00 0.00 O ATOM 1304 CB GLU A 84 4.355 -7.058 0.759 1.00 0.00 C ATOM 1305 CG GLU A 84 4.078 -6.958 -0.742 1.00 0.00 C ATOM 1306 CD GLU A 84 4.327 -5.523 -1.212 1.00 0.00 C ATOM 1307 OE1 GLU A 84 3.612 -4.642 -0.764 1.00 0.00 O ATOM 1308 OE2 GLU A 84 5.227 -5.330 -2.013 1.00 0.00 O ATOM 0 H GLU A 84 4.532 -7.555 3.083 1.00 0.00 H new ATOM 0 HA GLU A 84 3.309 -8.976 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.639 -6.452 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.347 -6.665 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.721 -7.648 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.049 -7.248 -0.953 1.00 0.00 H new ATOM 1315 N ILE A 85 6.534 -9.378 1.092 1.00 0.00 N ATOM 1316 CA ILE A 85 7.632 -10.168 0.461 1.00 0.00 C ATOM 1317 C ILE A 85 7.745 -11.545 1.123 1.00 0.00 C ATOM 1318 O ILE A 85 8.698 -12.270 0.914 1.00 0.00 O ATOM 1319 CB ILE A 85 8.902 -9.342 0.688 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.283 -9.377 2.167 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.648 -7.893 0.267 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.380 -8.346 2.435 1.00 0.00 C ATOM 0 H ILE A 85 6.782 -8.895 1.955 1.00 0.00 H new ATOM 0 HA ILE A 85 7.455 -10.347 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 85 9.714 -9.761 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.410 -9.164 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.631 -10.373 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.551 -7.304 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.378 -7.863 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.834 -7.479 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.652 -8.370 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.255 -8.580 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.016 -7.352 2.177 1.00 0.00 H new ATOM 1334 N CYS A 86 6.774 -11.913 1.914 1.00 0.00 N ATOM 1335 CA CYS A 86 6.819 -13.246 2.583 1.00 0.00 C ATOM 1336 C CYS A 86 8.129 -13.416 3.356 1.00 0.00 C ATOM 1337 O CYS A 86 8.524 -14.516 3.689 1.00 0.00 O ATOM 1338 CB CYS A 86 6.733 -14.262 1.445 1.00 0.00 C ATOM 1339 SG CYS A 86 5.017 -14.396 0.884 1.00 0.00 S ATOM 0 H CYS A 86 5.951 -11.349 2.126 1.00 0.00 H new ATOM 0 HA CYS A 86 6.012 -13.369 3.305 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.374 -13.954 0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.093 -15.234 1.783 1.00 0.00 H new ATOM 1344 N ALA A 87 8.806 -12.340 3.648 1.00 0.00 N ATOM 1345 CA ALA A 87 10.087 -12.450 4.402 1.00 0.00 C ATOM 1346 C ALA A 87 9.817 -12.937 5.828 1.00 0.00 C ATOM 1347 O ALA A 87 10.721 -13.310 6.550 1.00 0.00 O ATOM 1348 CB ALA A 87 10.663 -11.034 4.416 1.00 0.00 C ATOM 0 H ALA A 87 8.529 -11.391 3.398 1.00 0.00 H new ATOM 0 HA ALA A 87 10.776 -13.162 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.610 -11.032 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.827 -10.698 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.963 -10.361 4.911 1.00 0.00 H new ATOM 1354 N TYR A 88 8.579 -12.937 6.237 1.00 0.00 N ATOM 1355 CA TYR A 88 8.245 -13.401 7.614 1.00 0.00 C ATOM 1356 C TYR A 88 6.875 -14.083 7.624 1.00 0.00 C ATOM 1357 O TYR A 88 6.180 -14.120 6.628 1.00 0.00 O ATOM 1358 CB TYR A 88 8.214 -12.132 8.466 1.00 0.00 C ATOM 1359 CG TYR A 88 9.619 -11.772 8.892 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.491 -11.166 7.981 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.045 -12.044 10.197 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.792 -10.830 8.376 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.346 -11.707 10.591 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.220 -11.101 9.680 1.00 0.00 C ATOM 1365 OH TYR A 88 13.502 -10.768 10.069 1.00 0.00 O ATOM 0 H TYR A 88 7.782 -12.635 5.677 1.00 0.00 H new ATOM 0 HA TYR A 88 8.966 -14.127 7.989 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.774 -11.312 7.899 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.586 -12.286 9.343 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.161 -10.957 6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.372 -12.513 10.899 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.465 -10.361 7.673 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.676 -11.915 11.598 1.00 0.00 H new ATOM 0 HH TYR A 88 13.636 -11.023 11.006 1.00 0.00 H new ATOM 1375 N ALA A 89 6.481 -14.623 8.743 1.00 0.00 N ATOM 1376 CA ALA A 89 5.156 -15.302 8.820 1.00 0.00 C ATOM 1377 C ALA A 89 4.030 -14.265 8.880 1.00 0.00 C ATOM 1378 O ALA A 89 2.870 -14.602 9.009 1.00 0.00 O ATOM 1379 CB ALA A 89 5.207 -16.116 10.114 1.00 0.00 C ATOM 0 H ALA A 89 7.019 -14.624 9.609 1.00 0.00 H new ATOM 0 HA ALA A 89 4.961 -15.929 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.265 -16.649 10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.026 -16.834 10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.367 -15.446 10.959 1.00 0.00 H new ATOM 1385 N ALA A 90 4.364 -13.006 8.789 1.00 0.00 N ATOM 1386 CA ALA A 90 3.313 -11.950 8.845 1.00 0.00 C ATOM 1387 C ALA A 90 2.341 -12.095 7.671 1.00 0.00 C ATOM 1388 O ALA A 90 1.170 -11.791 7.783 1.00 0.00 O ATOM 1389 CB ALA A 90 4.076 -10.628 8.744 1.00 0.00 C ATOM 0 H ALA A 90 5.318 -12.663 8.678 1.00 0.00 H new ATOM 0 HA ALA A 90 2.718 -12.014 9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.371 -9.797 8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.774 -10.546 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.628 -10.597 7.804 1.00 0.00 H new ATOM 1395 N CYS A 91 2.814 -12.551 6.543 1.00 0.00 N ATOM 1396 CA CYS A 91 1.909 -12.704 5.367 1.00 0.00 C ATOM 1397 C CYS A 91 1.757 -14.181 4.994 1.00 0.00 C ATOM 1398 O CYS A 91 2.724 -14.868 4.731 1.00 0.00 O ATOM 1399 CB CYS A 91 2.596 -11.939 4.236 1.00 0.00 C ATOM 1400 SG CYS A 91 1.647 -10.443 3.861 1.00 0.00 S ATOM 0 H CYS A 91 3.784 -12.823 6.385 1.00 0.00 H new ATOM 0 HA CYS A 91 0.908 -12.325 5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.613 -11.675 4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.670 -12.568 3.349 1.00 0.00 H new ATOM 1405 N THR A 92 0.548 -14.670 4.964 1.00 0.00 N ATOM 1406 CA THR A 92 0.331 -16.101 4.603 1.00 0.00 C ATOM 1407 C THR A 92 -0.494 -16.203 3.316 1.00 0.00 C ATOM 1408 O THR A 92 -1.161 -15.268 2.920 1.00 0.00 O ATOM 1409 CB THR A 92 -0.440 -16.694 5.782 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.768 -16.187 5.780 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.254 -16.315 7.089 1.00 0.00 C ATOM 0 H THR A 92 -0.299 -14.142 5.174 1.00 0.00 H new ATOM 0 HA THR A 92 1.268 -16.628 4.422 1.00 0.00 H new ATOM 0 HB THR A 92 -0.467 -17.780 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.265 -16.567 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.296 -16.738 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.271 -16.706 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.283 -15.230 7.184 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.454 -17.332 2.663 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.238 -17.492 1.404 1.00 0.00 C ATOM 1421 C GLY A 93 -0.339 -17.197 0.202 1.00 0.00 C ATOM 1422 O GLY A 93 -0.489 -17.778 -0.854 1.00 0.00 O ATOM 0 H GLY A 93 0.086 -18.150 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.634 -18.505 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.093 -16.816 1.407 1.00 0.00 H new ATOM 1426 N CYS A 94 0.591 -16.295 0.353 1.00 0.00 N ATOM 1427 CA CYS A 94 1.498 -15.961 -0.783 1.00 0.00 C ATOM 1428 C CYS A 94 2.383 -17.162 -1.127 1.00 0.00 C ATOM 1429 O CYS A 94 2.112 -18.238 -0.620 1.00 0.00 O ATOM 1430 CB CYS A 94 2.348 -14.795 -0.277 1.00 0.00 C ATOM 1431 SG CYS A 94 3.339 -15.339 1.136 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.317 -16.985 -1.892 1.00 0.00 O ATOM 0 H CYS A 94 0.763 -15.774 1.213 1.00 0.00 H new ATOM 0 HA CYS A 94 0.949 -15.704 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.999 -14.433 -1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.707 -13.963 0.014 1.00 0.00 H new TER 1437 CYS A 94