USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot -107:sc= 0.778 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.61 K(o=2.4,f=1.2) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0217 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 61:sc= 0.978 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.385 USER MOD Single : A 10 SER OG : rot -130:sc= -0.701 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0981 USER MOD Single : A 17 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.76) USER MOD Single : A 30 THR OG1 : rot 59:sc= 0.0413 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.601! USER MOD Single : A 36 GLN : amide:sc= -0.519! C(o=-0.52!,f=-5.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 48 ASN : amide:sc= -0.186 K(o=-0.19,f=-6.2!) USER MOD Single : A 53 SER OG : rot 173:sc= 1.31 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0206 K(o=-0.021,f=-0.89) USER MOD Single : A 62 SER OG : rot 49:sc= 0.53 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 140:sc= -0.363 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -92:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0663 USER MOD Single : A 90 THR OG1 : rot -39:sc= 0.467 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.004 5.475 15.899 1.00 0.00 N ATOM 2 CA ALA A 1 -16.632 4.317 15.228 1.00 0.00 C ATOM 3 C ALA A 1 -15.591 3.249 14.942 1.00 0.00 C ATOM 4 O ALA A 1 -14.459 3.560 14.578 1.00 0.00 O ATOM 5 CB ALA A 1 -17.307 4.754 13.939 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.344 6.356 15.463 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.255 5.469 16.908 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.971 5.416 15.799 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.389 3.899 15.891 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.765 3.890 13.457 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.076 5.494 14.163 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.566 5.192 13.271 1.00 0.00 H new ATOM 11 N ALA A 2 -15.975 1.992 15.115 1.00 0.00 N ATOM 12 CA ALA A 2 -15.071 0.876 14.875 1.00 0.00 C ATOM 13 C ALA A 2 -15.078 0.492 13.399 1.00 0.00 C ATOM 14 O ALA A 2 -16.081 -0.002 12.885 1.00 0.00 O ATOM 15 CB ALA A 2 -15.459 -0.314 15.742 1.00 0.00 C ATOM 0 H ALA A 2 -16.909 1.719 15.421 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.060 1.183 15.143 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.775 -1.141 15.552 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.404 -0.032 16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.476 -0.623 15.502 1.00 0.00 H new ATOM 21 N PRO A 3 -13.966 0.731 12.689 1.00 0.00 N ATOM 22 CA PRO A 3 -13.859 0.411 11.269 1.00 0.00 C ATOM 23 C PRO A 3 -13.626 -1.078 11.031 1.00 0.00 C ATOM 24 O PRO A 3 -13.129 -1.790 11.904 1.00 0.00 O ATOM 25 CB PRO A 3 -12.652 1.228 10.817 1.00 0.00 C ATOM 26 CG PRO A 3 -11.793 1.335 12.031 1.00 0.00 C ATOM 27 CD PRO A 3 -12.723 1.328 13.217 1.00 0.00 C ATOM 0 HA PRO A 3 -14.773 0.643 10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.124 0.736 10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.952 2.212 10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.091 0.503 12.084 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.201 2.250 12.008 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.316 0.741 14.040 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.893 2.335 13.597 1.00 0.00 H new ATOM 35 N THR A 4 -13.987 -1.541 9.847 1.00 0.00 N ATOM 36 CA THR A 4 -13.821 -2.938 9.492 1.00 0.00 C ATOM 37 C THR A 4 -12.761 -3.096 8.405 1.00 0.00 C ATOM 38 O THR A 4 -13.015 -2.822 7.231 1.00 0.00 O ATOM 39 CB THR A 4 -15.157 -3.538 9.008 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.146 -2.497 8.892 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.656 -4.605 9.968 1.00 0.00 C ATOM 0 H THR A 4 -14.399 -0.966 9.112 1.00 0.00 H new ATOM 0 HA THR A 4 -13.495 -3.474 10.383 1.00 0.00 H new ATOM 0 HB THR A 4 -14.990 -3.999 8.034 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.844 -1.830 8.241 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.599 -5.011 9.602 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.919 -5.405 10.037 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.808 -4.165 10.954 1.00 0.00 H new ATOM 49 N ALA A 5 -11.565 -3.510 8.798 1.00 0.00 N ATOM 50 CA ALA A 5 -10.477 -3.693 7.849 1.00 0.00 C ATOM 51 C ALA A 5 -10.270 -5.170 7.535 1.00 0.00 C ATOM 52 O ALA A 5 -9.933 -5.964 8.411 1.00 0.00 O ATOM 53 CB ALA A 5 -9.199 -3.073 8.392 1.00 0.00 C ATOM 0 H ALA A 5 -11.324 -3.725 9.765 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.742 -3.189 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.392 -3.216 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.353 -2.007 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.935 -3.551 9.335 1.00 0.00 H new ATOM 59 N THR A 6 -10.485 -5.532 6.281 1.00 0.00 N ATOM 60 CA THR A 6 -10.316 -6.905 5.844 1.00 0.00 C ATOM 61 C THR A 6 -9.195 -7.001 4.816 1.00 0.00 C ATOM 62 O THR A 6 -9.376 -6.666 3.646 1.00 0.00 O ATOM 63 CB THR A 6 -11.618 -7.450 5.235 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.727 -7.082 6.061 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.562 -8.963 5.104 1.00 0.00 C ATOM 0 H THR A 6 -10.778 -4.889 5.545 1.00 0.00 H new ATOM 0 HA THR A 6 -10.058 -7.505 6.717 1.00 0.00 H new ATOM 0 HB THR A 6 -11.740 -7.020 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.556 -7.429 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.494 -9.325 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.729 -9.242 4.458 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.422 -9.409 6.089 1.00 0.00 H new ATOM 73 N VAL A 7 -8.029 -7.439 5.254 1.00 0.00 N ATOM 74 CA VAL A 7 -6.889 -7.566 4.362 1.00 0.00 C ATOM 75 C VAL A 7 -6.432 -9.014 4.288 1.00 0.00 C ATOM 76 O VAL A 7 -6.599 -9.776 5.241 1.00 0.00 O ATOM 77 CB VAL A 7 -5.709 -6.672 4.807 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.052 -5.201 4.623 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.338 -6.959 6.252 1.00 0.00 C ATOM 0 H VAL A 7 -7.846 -7.712 6.219 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.212 -7.234 3.375 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.848 -6.903 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.209 -4.588 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.266 -5.006 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.928 -4.954 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.506 -6.320 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.195 -6.758 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.047 -8.005 6.352 1.00 0.00 H new ATOM 89 N THR A 8 -5.897 -9.397 3.142 1.00 0.00 N ATOM 90 CA THR A 8 -5.406 -10.751 2.943 1.00 0.00 C ATOM 91 C THR A 8 -3.902 -10.732 2.686 1.00 0.00 C ATOM 92 O THR A 8 -3.460 -10.521 1.556 1.00 0.00 O ATOM 93 CB THR A 8 -6.133 -11.433 1.767 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.496 -10.982 1.715 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.105 -12.946 1.917 1.00 0.00 C ATOM 0 H THR A 8 -5.791 -8.787 2.331 1.00 0.00 H new ATOM 0 HA THR A 8 -5.607 -11.323 3.849 1.00 0.00 H new ATOM 0 HB THR A 8 -5.620 -11.166 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.997 -11.528 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.624 -13.405 1.075 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.071 -13.291 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.600 -13.229 2.846 1.00 0.00 H new ATOM 103 N PRO A 9 -3.094 -10.914 3.745 1.00 0.00 N ATOM 104 CA PRO A 9 -1.634 -10.907 3.632 1.00 0.00 C ATOM 105 C PRO A 9 -1.103 -12.090 2.826 1.00 0.00 C ATOM 106 O PRO A 9 -1.633 -13.199 2.903 1.00 0.00 O ATOM 107 CB PRO A 9 -1.160 -10.987 5.086 1.00 0.00 C ATOM 108 CG PRO A 9 -2.294 -11.607 5.825 1.00 0.00 C ATOM 109 CD PRO A 9 -3.542 -11.142 5.134 1.00 0.00 C ATOM 0 HA PRO A 9 -1.274 -10.025 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.255 -11.588 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.925 -9.998 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.222 -12.694 5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.291 -11.302 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.333 -11.891 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.936 -10.231 5.585 1.00 0.00 H new ATOM 117 N SER A 10 -0.056 -11.842 2.052 1.00 0.00 N ATOM 118 CA SER A 10 0.561 -12.872 1.227 1.00 0.00 C ATOM 119 C SER A 10 1.768 -13.490 1.935 1.00 0.00 C ATOM 120 O SER A 10 2.779 -13.803 1.305 1.00 0.00 O ATOM 121 CB SER A 10 0.985 -12.260 -0.109 1.00 0.00 C ATOM 122 OG SER A 10 0.082 -11.239 -0.495 1.00 0.00 O ATOM 0 H SER A 10 0.388 -10.927 1.978 1.00 0.00 H new ATOM 0 HA SER A 10 -0.165 -13.666 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.992 -11.851 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.018 -13.034 -0.876 1.00 0.00 H new ATOM 0 HG SER A 10 -0.201 -11.386 -1.422 1.00 0.00 H new ATOM 128 N SER A 11 1.649 -13.664 3.243 1.00 0.00 N ATOM 129 CA SER A 11 2.718 -14.236 4.045 1.00 0.00 C ATOM 130 C SER A 11 3.021 -15.670 3.612 1.00 0.00 C ATOM 131 O SER A 11 2.207 -16.573 3.806 1.00 0.00 O ATOM 132 CB SER A 11 2.317 -14.211 5.519 1.00 0.00 C ATOM 133 OG SER A 11 1.653 -12.994 5.842 1.00 0.00 O ATOM 0 H SER A 11 0.815 -13.414 3.774 1.00 0.00 H new ATOM 0 HA SER A 11 3.619 -13.640 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.664 -15.056 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.203 -14.324 6.144 1.00 0.00 H new ATOM 0 HG SER A 11 1.403 -12.999 6.790 1.00 0.00 H new ATOM 139 N GLY A 12 4.185 -15.865 3.008 1.00 0.00 N ATOM 140 CA GLY A 12 4.577 -17.184 2.564 1.00 0.00 C ATOM 141 C GLY A 12 4.473 -17.350 1.065 1.00 0.00 C ATOM 142 O GLY A 12 4.885 -18.374 0.521 1.00 0.00 O ATOM 0 H GLY A 12 4.866 -15.130 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.603 -17.378 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.949 -17.929 3.052 1.00 0.00 H new ATOM 146 N LEU A 13 3.937 -16.345 0.389 1.00 0.00 N ATOM 147 CA LEU A 13 3.783 -16.405 -1.054 1.00 0.00 C ATOM 148 C LEU A 13 4.918 -15.654 -1.738 1.00 0.00 C ATOM 149 O LEU A 13 5.570 -14.811 -1.126 1.00 0.00 O ATOM 150 CB LEU A 13 2.424 -15.835 -1.467 1.00 0.00 C ATOM 151 CG LEU A 13 1.208 -16.593 -0.921 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.085 -15.970 -1.426 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.273 -18.062 -1.309 1.00 0.00 C ATOM 0 H LEU A 13 3.603 -15.481 0.816 1.00 0.00 H new ATOM 0 HA LEU A 13 3.825 -17.447 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.366 -14.799 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.367 -15.824 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 13 1.224 -16.521 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.935 -16.523 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.141 -14.932 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.106 -16.008 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.401 -18.582 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.285 -18.151 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.179 -18.507 -0.898 1.00 0.00 H new ATOM 165 N SER A 14 5.164 -15.981 -2.996 1.00 0.00 N ATOM 166 CA SER A 14 6.232 -15.347 -3.759 1.00 0.00 C ATOM 167 C SER A 14 5.755 -14.038 -4.382 1.00 0.00 C ATOM 168 O SER A 14 4.597 -13.647 -4.221 1.00 0.00 O ATOM 169 CB SER A 14 6.720 -16.300 -4.853 1.00 0.00 C ATOM 170 OG SER A 14 6.601 -17.653 -4.443 1.00 0.00 O ATOM 0 H SER A 14 4.637 -16.684 -3.514 1.00 0.00 H new ATOM 0 HA SER A 14 7.054 -15.121 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.142 -16.140 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.760 -16.080 -5.094 1.00 0.00 H new ATOM 0 HG SER A 14 7.491 -18.016 -4.249 1.00 0.00 H new ATOM 176 N ASP A 15 6.649 -13.363 -5.096 1.00 0.00 N ATOM 177 CA ASP A 15 6.306 -12.103 -5.747 1.00 0.00 C ATOM 178 C ASP A 15 5.320 -12.354 -6.884 1.00 0.00 C ATOM 179 O ASP A 15 5.219 -13.473 -7.401 1.00 0.00 O ATOM 180 CB ASP A 15 7.558 -11.387 -6.273 1.00 0.00 C ATOM 181 CG ASP A 15 8.136 -12.034 -7.520 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.975 -12.949 -7.381 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.763 -11.619 -8.639 1.00 0.00 O ATOM 0 H ASP A 15 7.613 -13.665 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 15 5.839 -11.454 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.310 -10.348 -6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.318 -11.376 -5.492 1.00 0.00 H new ATOM 188 N GLY A 16 4.587 -11.319 -7.259 1.00 0.00 N ATOM 189 CA GLY A 16 3.602 -11.450 -8.312 1.00 0.00 C ATOM 190 C GLY A 16 2.226 -11.732 -7.749 1.00 0.00 C ATOM 191 O GLY A 16 1.224 -11.670 -8.457 1.00 0.00 O ATOM 0 H GLY A 16 4.656 -10.386 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.574 -10.534 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.893 -12.255 -8.986 1.00 0.00 H new ATOM 195 N THR A 17 2.187 -12.037 -6.459 1.00 0.00 N ATOM 196 CA THR A 17 0.940 -12.330 -5.777 1.00 0.00 C ATOM 197 C THR A 17 0.065 -11.086 -5.695 1.00 0.00 C ATOM 198 O THR A 17 0.553 -9.983 -5.429 1.00 0.00 O ATOM 199 CB THR A 17 1.211 -12.874 -4.361 1.00 0.00 C ATOM 200 OG1 THR A 17 2.002 -14.069 -4.450 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.087 -13.169 -3.626 1.00 0.00 C ATOM 0 H THR A 17 3.013 -12.087 -5.863 1.00 0.00 H new ATOM 0 HA THR A 17 0.413 -13.091 -6.352 1.00 0.00 H new ATOM 0 HB THR A 17 1.752 -12.113 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.950 -13.843 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.138 -13.551 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.672 -12.254 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.658 -13.914 -4.180 1.00 0.00 H new ATOM 209 N VAL A 18 -1.222 -11.270 -5.938 1.00 0.00 N ATOM 210 CA VAL A 18 -2.173 -10.178 -5.897 1.00 0.00 C ATOM 211 C VAL A 18 -2.794 -10.069 -4.509 1.00 0.00 C ATOM 212 O VAL A 18 -3.668 -10.856 -4.145 1.00 0.00 O ATOM 213 CB VAL A 18 -3.287 -10.360 -6.949 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.141 -9.112 -7.040 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.697 -10.699 -8.310 1.00 0.00 C ATOM 0 H VAL A 18 -1.632 -12.175 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.631 -9.261 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.918 -11.191 -6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.921 -9.259 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.599 -8.913 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.518 -8.265 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.502 -10.823 -9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.039 -9.892 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.127 -11.626 -8.239 1.00 0.00 H new ATOM 225 N VAL A 19 -2.321 -9.104 -3.739 1.00 0.00 N ATOM 226 CA VAL A 19 -2.814 -8.879 -2.388 1.00 0.00 C ATOM 227 C VAL A 19 -4.232 -8.315 -2.432 1.00 0.00 C ATOM 228 O VAL A 19 -4.555 -7.493 -3.296 1.00 0.00 O ATOM 229 CB VAL A 19 -1.905 -7.904 -1.608 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.209 -7.952 -0.119 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.436 -8.207 -1.858 1.00 0.00 C ATOM 0 H VAL A 19 -1.588 -8.457 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.812 -9.840 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.112 -6.897 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.556 -7.257 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.249 -7.672 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.041 -8.962 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.181 -7.505 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.214 -9.224 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.220 -8.109 -2.922 1.00 0.00 H new ATOM 241 N LYS A 20 -5.073 -8.763 -1.512 1.00 0.00 N ATOM 242 CA LYS A 20 -6.450 -8.306 -1.452 1.00 0.00 C ATOM 243 C LYS A 20 -6.653 -7.389 -0.255 1.00 0.00 C ATOM 244 O LYS A 20 -6.420 -7.784 0.893 1.00 0.00 O ATOM 245 CB LYS A 20 -7.401 -9.503 -1.366 1.00 0.00 C ATOM 246 CG LYS A 20 -8.867 -9.115 -1.449 1.00 0.00 C ATOM 247 CD LYS A 20 -9.773 -10.334 -1.395 1.00 0.00 C ATOM 248 CE LYS A 20 -9.689 -11.154 -2.672 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.526 -12.382 -2.601 1.00 0.00 N ATOM 0 H LYS A 20 -4.823 -9.445 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.670 -7.746 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.171 -10.199 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.225 -10.031 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.113 -8.442 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.047 -8.568 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.496 -10.956 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.803 -10.015 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.011 -10.544 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.651 -11.432 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.440 -12.912 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.203 -12.977 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.520 -12.116 -2.451 1.00 0.00 H new ATOM 263 N VAL A 21 -7.069 -6.164 -0.525 1.00 0.00 N ATOM 264 CA VAL A 21 -7.309 -5.188 0.525 1.00 0.00 C ATOM 265 C VAL A 21 -8.735 -4.660 0.427 1.00 0.00 C ATOM 266 O VAL A 21 -9.116 -4.074 -0.585 1.00 0.00 O ATOM 267 CB VAL A 21 -6.308 -4.011 0.438 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.686 -2.893 1.402 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.888 -4.495 0.709 1.00 0.00 C ATOM 0 H VAL A 21 -7.249 -5.820 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.168 -5.684 1.485 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.351 -3.609 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.964 -2.080 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.681 -2.522 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.684 -3.276 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.198 -3.654 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.836 -4.930 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.613 -5.248 -0.030 1.00 0.00 H new ATOM 279 N ALA A 22 -9.524 -4.896 1.466 1.00 0.00 N ATOM 280 CA ALA A 22 -10.904 -4.447 1.494 1.00 0.00 C ATOM 281 C ALA A 22 -11.209 -3.724 2.801 1.00 0.00 C ATOM 282 O ALA A 22 -11.095 -4.298 3.885 1.00 0.00 O ATOM 283 CB ALA A 22 -11.849 -5.624 1.305 1.00 0.00 C ATOM 0 H ALA A 22 -9.228 -5.398 2.303 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.053 -3.746 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.880 -5.270 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.650 -6.100 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.695 -6.347 2.106 1.00 0.00 H new ATOM 289 N GLY A 23 -11.575 -2.460 2.697 1.00 0.00 N ATOM 290 CA GLY A 23 -11.899 -1.684 3.873 1.00 0.00 C ATOM 291 C GLY A 23 -13.359 -1.301 3.902 1.00 0.00 C ATOM 292 O GLY A 23 -13.890 -0.805 2.910 1.00 0.00 O ATOM 0 H GLY A 23 -11.654 -1.954 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.655 -2.258 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.286 -0.783 3.896 1.00 0.00 H new ATOM 296 N ALA A 24 -14.015 -1.548 5.023 1.00 0.00 N ATOM 297 CA ALA A 24 -15.423 -1.218 5.170 1.00 0.00 C ATOM 298 C ALA A 24 -15.629 -0.262 6.335 1.00 0.00 C ATOM 299 O ALA A 24 -15.074 -0.457 7.420 1.00 0.00 O ATOM 300 CB ALA A 24 -16.243 -2.482 5.362 1.00 0.00 C ATOM 0 H ALA A 24 -13.594 -1.977 5.847 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.760 -0.722 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.295 -2.220 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.118 -3.132 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.904 -3.003 6.258 1.00 0.00 H new ATOM 306 N GLY A 25 -16.426 0.766 6.108 1.00 0.00 N ATOM 307 CA GLY A 25 -16.680 1.746 7.139 1.00 0.00 C ATOM 308 C GLY A 25 -15.775 2.945 6.974 1.00 0.00 C ATOM 309 O GLY A 25 -15.521 3.686 7.924 1.00 0.00 O ATOM 0 H GLY A 25 -16.904 0.940 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.722 2.063 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.522 1.298 8.120 1.00 0.00 H new ATOM 313 N LEU A 26 -15.287 3.121 5.753 1.00 0.00 N ATOM 314 CA LEU A 26 -14.395 4.219 5.424 1.00 0.00 C ATOM 315 C LEU A 26 -15.189 5.488 5.127 1.00 0.00 C ATOM 316 O LEU A 26 -16.410 5.538 5.331 1.00 0.00 O ATOM 317 CB LEU A 26 -13.535 3.849 4.210 1.00 0.00 C ATOM 318 CG LEU A 26 -12.678 2.590 4.367 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.035 2.222 3.038 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.615 2.799 5.435 1.00 0.00 C ATOM 0 H LEU A 26 -15.499 2.507 4.967 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.748 4.406 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.191 3.716 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.878 4.688 3.983 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.321 1.768 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.428 1.325 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.812 2.034 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.403 3.043 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.015 1.894 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.972 3.632 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.095 3.021 6.388 1.00 0.00 H new ATOM 332 N GLN A 27 -14.495 6.507 4.645 1.00 0.00 N ATOM 333 CA GLN A 27 -15.123 7.773 4.311 1.00 0.00 C ATOM 334 C GLN A 27 -15.552 7.773 2.848 1.00 0.00 C ATOM 335 O GLN A 27 -14.718 7.645 1.947 1.00 0.00 O ATOM 336 CB GLN A 27 -14.157 8.930 4.586 1.00 0.00 C ATOM 337 CG GLN A 27 -14.844 10.277 4.713 1.00 0.00 C ATOM 338 CD GLN A 27 -15.839 10.316 5.854 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.670 9.645 6.873 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.888 11.095 5.684 1.00 0.00 N ATOM 0 H GLN A 27 -13.489 6.480 4.476 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.008 7.905 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.608 8.723 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.424 8.980 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.092 11.052 4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.357 10.509 3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.989 11.634 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.599 11.159 6.412 1.00 0.00 H new ATOM 349 N ALA A 28 -16.852 7.895 2.616 1.00 0.00 N ATOM 350 CA ALA A 28 -17.386 7.904 1.262 1.00 0.00 C ATOM 351 C ALA A 28 -16.983 9.176 0.525 1.00 0.00 C ATOM 352 O ALA A 28 -16.940 10.257 1.115 1.00 0.00 O ATOM 353 CB ALA A 28 -18.899 7.753 1.284 1.00 0.00 C ATOM 0 H ALA A 28 -17.556 7.989 3.348 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.963 7.055 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.280 7.762 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.164 6.810 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.339 8.579 1.843 1.00 0.00 H new ATOM 359 N GLY A 29 -16.673 9.036 -0.756 1.00 0.00 N ATOM 360 CA GLY A 29 -16.276 10.175 -1.561 1.00 0.00 C ATOM 361 C GLY A 29 -14.771 10.304 -1.690 1.00 0.00 C ATOM 362 O GLY A 29 -14.257 10.712 -2.734 1.00 0.00 O ATOM 0 H GLY A 29 -16.689 8.147 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.715 10.083 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.678 11.086 -1.118 1.00 0.00 H new ATOM 366 N THR A 30 -14.064 9.957 -0.635 1.00 0.00 N ATOM 367 CA THR A 30 -12.613 10.045 -0.625 1.00 0.00 C ATOM 368 C THR A 30 -11.968 8.816 -1.258 1.00 0.00 C ATOM 369 O THR A 30 -12.491 7.704 -1.160 1.00 0.00 O ATOM 370 CB THR A 30 -12.097 10.209 0.813 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.127 9.840 1.734 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.662 11.644 1.075 1.00 0.00 C ATOM 0 H THR A 30 -14.471 9.609 0.233 1.00 0.00 H new ATOM 0 HA THR A 30 -12.338 10.918 -1.216 1.00 0.00 H new ATOM 0 HB THR A 30 -11.232 9.560 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.395 8.912 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.301 11.733 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.863 11.914 0.384 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.510 12.314 0.929 1.00 0.00 H new ATOM 380 N ALA A 31 -10.838 9.033 -1.919 1.00 0.00 N ATOM 381 CA ALA A 31 -10.107 7.952 -2.557 1.00 0.00 C ATOM 382 C ALA A 31 -8.978 7.484 -1.649 1.00 0.00 C ATOM 383 O ALA A 31 -8.404 8.279 -0.904 1.00 0.00 O ATOM 384 CB ALA A 31 -9.561 8.393 -3.906 1.00 0.00 C ATOM 0 H ALA A 31 -10.409 9.952 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.791 7.120 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.017 7.568 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.386 8.689 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.887 9.239 -3.767 1.00 0.00 H new ATOM 390 N TYR A 32 -8.674 6.200 -1.698 1.00 0.00 N ATOM 391 CA TYR A 32 -7.623 5.638 -0.873 1.00 0.00 C ATOM 392 C TYR A 32 -6.469 5.145 -1.740 1.00 0.00 C ATOM 393 O TYR A 32 -6.676 4.671 -2.861 1.00 0.00 O ATOM 394 CB TYR A 32 -8.183 4.505 -0.003 1.00 0.00 C ATOM 395 CG TYR A 32 -9.094 4.994 1.110 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.346 5.530 0.829 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.690 4.940 2.439 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.171 5.993 1.838 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.509 5.405 3.454 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.747 5.932 3.146 1.00 0.00 C ATOM 401 OH TYR A 32 -11.565 6.398 4.152 1.00 0.00 O ATOM 0 H TYR A 32 -9.142 5.525 -2.303 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.238 6.416 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.735 3.810 -0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.354 3.949 0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.680 5.586 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.722 4.529 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.143 6.400 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.181 5.356 4.482 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.119 6.282 5.017 1.00 0.00 H new ATOM 411 N ASP A 33 -5.260 5.281 -1.222 1.00 0.00 N ATOM 412 CA ASP A 33 -4.058 4.873 -1.932 1.00 0.00 C ATOM 413 C ASP A 33 -3.432 3.666 -1.253 1.00 0.00 C ATOM 414 O ASP A 33 -3.074 3.723 -0.073 1.00 0.00 O ATOM 415 CB ASP A 33 -3.053 6.027 -1.967 1.00 0.00 C ATOM 416 CG ASP A 33 -2.313 6.124 -3.286 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.285 5.436 -3.449 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.759 6.898 -4.165 1.00 0.00 O ATOM 0 H ASP A 33 -5.083 5.677 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.329 4.604 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.577 6.964 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.332 5.899 -1.160 1.00 0.00 H new ATOM 423 N VAL A 34 -3.316 2.571 -1.989 1.00 0.00 N ATOM 424 CA VAL A 34 -2.735 1.351 -1.447 1.00 0.00 C ATOM 425 C VAL A 34 -1.655 0.813 -2.387 1.00 0.00 C ATOM 426 O VAL A 34 -1.903 0.613 -3.580 1.00 0.00 O ATOM 427 CB VAL A 34 -3.805 0.255 -1.224 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.189 -0.973 -0.569 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.957 0.783 -0.380 1.00 0.00 C ATOM 0 H VAL A 34 -3.616 2.502 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.295 1.605 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.199 -0.033 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.958 -1.731 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.404 -1.373 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.763 -0.696 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.695 -0.006 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.579 1.106 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.422 1.628 -0.887 1.00 0.00 H new ATOM 439 N GLY A 35 -0.462 0.600 -1.853 1.00 0.00 N ATOM 440 CA GLY A 35 0.629 0.073 -2.648 1.00 0.00 C ATOM 441 C GLY A 35 1.622 -0.675 -1.790 1.00 0.00 C ATOM 442 O GLY A 35 1.445 -0.768 -0.573 1.00 0.00 O ATOM 0 H GLY A 35 -0.228 0.784 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.234 -0.593 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.134 0.890 -3.164 1.00 0.00 H new ATOM 446 N GLN A 36 2.658 -1.222 -2.411 1.00 0.00 N ATOM 447 CA GLN A 36 3.678 -1.952 -1.676 1.00 0.00 C ATOM 448 C GLN A 36 4.797 -1.000 -1.285 1.00 0.00 C ATOM 449 O GLN A 36 5.435 -0.391 -2.140 1.00 0.00 O ATOM 450 CB GLN A 36 4.231 -3.122 -2.498 1.00 0.00 C ATOM 451 CG GLN A 36 4.684 -2.735 -3.898 1.00 0.00 C ATOM 452 CD GLN A 36 5.653 -3.731 -4.507 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.629 -3.975 -5.710 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.526 -4.298 -3.688 1.00 0.00 N ATOM 0 H GLN A 36 2.813 -1.174 -3.418 1.00 0.00 H new ATOM 0 HA GLN A 36 3.225 -2.370 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.073 -3.562 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.464 -3.893 -2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.811 -2.645 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.156 -1.753 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.515 -4.070 -2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.209 -4.963 -4.051 1.00 0.00 H new ATOM 463 N CYS A 37 5.010 -0.850 0.009 1.00 0.00 N ATOM 464 CA CYS A 37 6.040 0.043 0.509 1.00 0.00 C ATOM 465 C CYS A 37 7.018 -0.710 1.402 1.00 0.00 C ATOM 466 O CYS A 37 6.720 -1.807 1.881 1.00 0.00 O ATOM 467 CB CYS A 37 5.388 1.197 1.280 1.00 0.00 C ATOM 468 SG CYS A 37 3.607 1.388 0.940 1.00 0.00 S ATOM 0 H CYS A 37 4.483 -1.336 0.735 1.00 0.00 H new ATOM 0 HA CYS A 37 6.598 0.447 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.530 1.035 2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.899 2.126 1.028 1.00 0.00 H new ATOM 473 N ALA A 38 8.190 -0.127 1.604 1.00 0.00 N ATOM 474 CA ALA A 38 9.215 -0.730 2.443 1.00 0.00 C ATOM 475 C ALA A 38 10.134 0.341 3.009 1.00 0.00 C ATOM 476 O ALA A 38 9.981 1.528 2.701 1.00 0.00 O ATOM 477 CB ALA A 38 10.018 -1.762 1.659 1.00 0.00 C ATOM 0 H ALA A 38 8.456 0.769 1.195 1.00 0.00 H new ATOM 0 HA ALA A 38 8.723 -1.239 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.778 -2.200 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.351 -2.546 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.500 -1.279 0.809 1.00 0.00 H new ATOM 483 N TRP A 39 11.078 -0.082 3.838 1.00 0.00 N ATOM 484 CA TRP A 39 12.035 0.829 4.456 1.00 0.00 C ATOM 485 C TRP A 39 13.036 1.348 3.427 1.00 0.00 C ATOM 486 O TRP A 39 14.037 0.693 3.135 1.00 0.00 O ATOM 487 CB TRP A 39 12.787 0.121 5.585 1.00 0.00 C ATOM 488 CG TRP A 39 12.423 0.601 6.956 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.177 0.650 7.506 1.00 0.00 C ATOM 490 CD2 TRP A 39 13.324 1.087 7.959 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.245 1.145 8.786 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.554 1.419 9.087 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.707 1.271 8.011 1.00 0.00 C ATOM 494 CZ2 TRP A 39 13.121 1.924 10.254 1.00 0.00 C ATOM 495 CZ3 TRP A 39 15.268 1.778 9.168 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.476 2.096 10.276 1.00 0.00 C ATOM 0 H TRP A 39 11.203 -1.060 4.101 1.00 0.00 H new ATOM 0 HA TRP A 39 11.480 1.674 4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.591 -0.949 5.522 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.858 0.258 5.436 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.269 0.344 7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.451 1.286 9.410 1.00 0.00 H new ATOM 0 HE3 TRP A 39 15.327 1.022 7.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.512 2.171 11.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.336 1.931 9.217 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.945 2.486 11.167 1.00 0.00 H new ATOM 507 N VAL A 40 12.764 2.525 2.879 1.00 0.00 N ATOM 508 CA VAL A 40 13.648 3.120 1.887 1.00 0.00 C ATOM 509 C VAL A 40 14.743 3.931 2.583 1.00 0.00 C ATOM 510 O VAL A 40 15.792 4.222 2.006 1.00 0.00 O ATOM 511 CB VAL A 40 12.861 4.000 0.883 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.348 5.273 1.540 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.715 4.326 -0.334 1.00 0.00 C ATOM 0 H VAL A 40 11.941 3.084 3.104 1.00 0.00 H new ATOM 0 HA VAL A 40 14.114 2.316 1.317 1.00 0.00 H new ATOM 0 HB VAL A 40 11.994 3.428 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.801 5.866 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.685 5.015 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.190 5.852 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.142 4.944 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.608 4.866 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.007 3.401 -0.832 1.00 0.00 H new ATOM 523 N ASP A 41 14.485 4.272 3.840 1.00 0.00 N ATOM 524 CA ASP A 41 15.430 5.025 4.658 1.00 0.00 C ATOM 525 C ASP A 41 15.128 4.780 6.130 1.00 0.00 C ATOM 526 O ASP A 41 14.235 3.996 6.455 1.00 0.00 O ATOM 527 CB ASP A 41 15.359 6.522 4.344 1.00 0.00 C ATOM 528 CG ASP A 41 16.689 7.227 4.552 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.027 7.537 5.712 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.399 7.477 3.553 1.00 0.00 O ATOM 0 H ASP A 41 13.617 4.035 4.321 1.00 0.00 H new ATOM 0 HA ASP A 41 16.440 4.685 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.038 6.658 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.603 6.987 4.977 1.00 0.00 H new ATOM 535 N THR A 42 15.838 5.462 7.014 1.00 0.00 N ATOM 536 CA THR A 42 15.642 5.291 8.444 1.00 0.00 C ATOM 537 C THR A 42 14.313 5.889 8.902 1.00 0.00 C ATOM 538 O THR A 42 14.213 7.078 9.209 1.00 0.00 O ATOM 539 CB THR A 42 16.802 5.924 9.232 1.00 0.00 C ATOM 540 OG1 THR A 42 18.009 5.831 8.464 1.00 0.00 O ATOM 541 CG2 THR A 42 16.997 5.222 10.565 1.00 0.00 C ATOM 0 H THR A 42 16.557 6.141 6.765 1.00 0.00 H new ATOM 0 HA THR A 42 15.620 4.220 8.644 1.00 0.00 H new ATOM 0 HB THR A 42 16.561 6.970 9.422 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.748 6.236 8.965 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.822 5.687 11.104 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.085 5.305 11.157 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.223 4.170 10.392 1.00 0.00 H new ATOM 549 N GLY A 43 13.282 5.057 8.911 1.00 0.00 N ATOM 550 CA GLY A 43 11.969 5.501 9.330 1.00 0.00 C ATOM 551 C GLY A 43 11.125 5.976 8.167 1.00 0.00 C ATOM 552 O GLY A 43 9.918 6.176 8.304 1.00 0.00 O ATOM 0 H GLY A 43 13.332 4.077 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.457 4.684 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.075 6.310 10.053 1.00 0.00 H new ATOM 556 N VAL A 44 11.757 6.153 7.017 1.00 0.00 N ATOM 557 CA VAL A 44 11.054 6.606 5.830 1.00 0.00 C ATOM 558 C VAL A 44 10.599 5.418 4.997 1.00 0.00 C ATOM 559 O VAL A 44 11.410 4.610 4.533 1.00 0.00 O ATOM 560 CB VAL A 44 11.927 7.531 4.955 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.094 8.176 3.860 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.608 8.593 5.804 1.00 0.00 C ATOM 0 H VAL A 44 12.755 5.990 6.882 1.00 0.00 H new ATOM 0 HA VAL A 44 10.190 7.175 6.172 1.00 0.00 H new ATOM 0 HB VAL A 44 12.700 6.923 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.728 8.824 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.660 7.401 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.296 8.767 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.218 9.233 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.852 9.196 6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.243 8.112 6.548 1.00 0.00 H new ATOM 572 N LEU A 45 9.297 5.307 4.833 1.00 0.00 N ATOM 573 CA LEU A 45 8.710 4.240 4.049 1.00 0.00 C ATOM 574 C LEU A 45 7.953 4.842 2.877 1.00 0.00 C ATOM 575 O LEU A 45 7.206 5.808 3.042 1.00 0.00 O ATOM 576 CB LEU A 45 7.769 3.386 4.902 1.00 0.00 C ATOM 577 CG LEU A 45 8.443 2.577 6.011 1.00 0.00 C ATOM 578 CD1 LEU A 45 8.331 3.293 7.346 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.833 1.187 6.098 1.00 0.00 C ATOM 0 H LEU A 45 8.618 5.951 5.238 1.00 0.00 H new ATOM 0 HA LEU A 45 9.506 3.593 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.022 4.039 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.235 2.698 4.246 1.00 0.00 H new ATOM 0 HG LEU A 45 9.501 2.477 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.817 2.699 8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.816 4.267 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.279 3.428 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.323 0.624 6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.768 1.270 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.970 0.670 5.148 1.00 0.00 H new ATOM 591 N ALA A 46 8.163 4.289 1.699 1.00 0.00 N ATOM 592 CA ALA A 46 7.501 4.785 0.506 1.00 0.00 C ATOM 593 C ALA A 46 7.138 3.633 -0.418 1.00 0.00 C ATOM 594 O ALA A 46 7.817 2.604 -0.430 1.00 0.00 O ATOM 595 CB ALA A 46 8.399 5.786 -0.202 1.00 0.00 C ATOM 0 H ALA A 46 8.786 3.497 1.541 1.00 0.00 H new ATOM 0 HA ALA A 46 6.578 5.288 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.898 6.155 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.611 6.621 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.333 5.301 -0.484 1.00 0.00 H new ATOM 601 N CYS A 47 6.064 3.804 -1.176 1.00 0.00 N ATOM 602 CA CYS A 47 5.598 2.773 -2.095 1.00 0.00 C ATOM 603 C CYS A 47 5.844 3.196 -3.538 1.00 0.00 C ATOM 604 O CYS A 47 6.301 4.310 -3.791 1.00 0.00 O ATOM 605 CB CYS A 47 4.107 2.499 -1.870 1.00 0.00 C ATOM 606 SG CYS A 47 3.487 3.038 -0.241 1.00 0.00 S ATOM 0 H CYS A 47 5.496 4.651 -1.173 1.00 0.00 H new ATOM 0 HA CYS A 47 6.157 1.857 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.535 3.002 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.924 1.430 -1.981 1.00 0.00 H new ATOM 611 N ASN A 48 5.539 2.311 -4.479 1.00 0.00 N ATOM 612 CA ASN A 48 5.736 2.604 -5.894 1.00 0.00 C ATOM 613 C ASN A 48 4.415 2.943 -6.576 1.00 0.00 C ATOM 614 O ASN A 48 3.435 2.209 -6.466 1.00 0.00 O ATOM 615 CB ASN A 48 6.420 1.427 -6.612 1.00 0.00 C ATOM 616 CG ASN A 48 5.623 0.132 -6.563 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.838 -0.107 -5.644 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.837 -0.723 -7.550 1.00 0.00 N ATOM 0 H ASN A 48 5.155 1.386 -4.289 1.00 0.00 H new ATOM 0 HA ASN A 48 6.388 3.475 -5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.591 1.699 -7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.398 1.258 -6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.344 -1.616 -7.567 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.495 -0.489 -8.294 1.00 0.00 H new ATOM 625 N PRO A 49 4.375 4.067 -7.303 1.00 0.00 N ATOM 626 CA PRO A 49 3.178 4.506 -8.012 1.00 0.00 C ATOM 627 C PRO A 49 3.054 3.849 -9.384 1.00 0.00 C ATOM 628 O PRO A 49 2.242 4.256 -10.211 1.00 0.00 O ATOM 629 CB PRO A 49 3.401 6.009 -8.152 1.00 0.00 C ATOM 630 CG PRO A 49 4.881 6.162 -8.247 1.00 0.00 C ATOM 631 CD PRO A 49 5.489 5.016 -7.473 1.00 0.00 C ATOM 0 HA PRO A 49 2.259 4.243 -7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.904 6.403 -9.039 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.001 6.551 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.206 6.141 -9.287 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.198 7.119 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.319 4.564 -8.016 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.881 5.348 -6.511 1.00 0.00 H new ATOM 639 N ALA A 50 3.872 2.833 -9.620 1.00 0.00 N ATOM 640 CA ALA A 50 3.861 2.121 -10.888 1.00 0.00 C ATOM 641 C ALA A 50 2.973 0.882 -10.829 1.00 0.00 C ATOM 642 O ALA A 50 2.359 0.506 -11.823 1.00 0.00 O ATOM 643 CB ALA A 50 5.278 1.731 -11.274 1.00 0.00 C ATOM 0 H ALA A 50 4.554 2.483 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 50 3.448 2.788 -11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.263 1.198 -12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.889 2.629 -11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.701 1.086 -10.503 1.00 0.00 H new ATOM 649 N ASP A 51 2.897 0.255 -9.663 1.00 0.00 N ATOM 650 CA ASP A 51 2.084 -0.949 -9.507 1.00 0.00 C ATOM 651 C ASP A 51 1.072 -0.790 -8.383 1.00 0.00 C ATOM 652 O ASP A 51 0.538 -1.772 -7.870 1.00 0.00 O ATOM 653 CB ASP A 51 2.975 -2.166 -9.238 1.00 0.00 C ATOM 654 CG ASP A 51 3.025 -3.124 -10.413 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.956 -3.595 -10.857 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.138 -3.416 -10.895 1.00 0.00 O ATOM 0 H ASP A 51 3.382 0.554 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 51 1.539 -1.104 -10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.985 -1.828 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.606 -2.694 -8.359 1.00 0.00 H new ATOM 661 N PHE A 52 0.803 0.454 -8.008 1.00 0.00 N ATOM 662 CA PHE A 52 -0.150 0.742 -6.944 1.00 0.00 C ATOM 663 C PHE A 52 -1.575 0.715 -7.488 1.00 0.00 C ATOM 664 O PHE A 52 -1.784 0.745 -8.701 1.00 0.00 O ATOM 665 CB PHE A 52 0.142 2.112 -6.315 1.00 0.00 C ATOM 666 CG PHE A 52 -0.574 3.257 -6.979 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.197 3.694 -8.237 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.627 3.894 -6.342 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.853 4.744 -8.848 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.287 4.944 -6.947 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.899 5.371 -8.202 1.00 0.00 C ATOM 0 H PHE A 52 1.232 1.280 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.048 -0.025 -6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.138 2.084 -5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.216 2.297 -6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.621 3.207 -8.747 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.935 3.565 -5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.548 5.074 -9.830 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.106 5.432 -6.440 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.413 6.194 -8.677 1.00 0.00 H new ATOM 681 N SER A 53 -2.553 0.672 -6.597 1.00 0.00 N ATOM 682 CA SER A 53 -3.942 0.656 -7.010 1.00 0.00 C ATOM 683 C SER A 53 -4.745 1.717 -6.262 1.00 0.00 C ATOM 684 O SER A 53 -4.810 1.714 -5.030 1.00 0.00 O ATOM 685 CB SER A 53 -4.546 -0.727 -6.777 1.00 0.00 C ATOM 686 OG SER A 53 -3.834 -1.726 -7.495 1.00 0.00 O ATOM 0 H SER A 53 -2.409 0.648 -5.588 1.00 0.00 H new ATOM 0 HA SER A 53 -3.984 0.885 -8.075 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.530 -0.959 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.591 -0.727 -7.087 1.00 0.00 H new ATOM 0 HG SER A 53 -4.170 -2.612 -7.244 1.00 0.00 H new ATOM 692 N SER A 54 -5.329 2.641 -7.011 1.00 0.00 N ATOM 693 CA SER A 54 -6.141 3.696 -6.429 1.00 0.00 C ATOM 694 C SER A 54 -7.592 3.234 -6.348 1.00 0.00 C ATOM 695 O SER A 54 -8.183 2.854 -7.360 1.00 0.00 O ATOM 696 CB SER A 54 -6.030 4.964 -7.277 1.00 0.00 C ATOM 697 OG SER A 54 -5.811 4.636 -8.638 1.00 0.00 O ATOM 0 H SER A 54 -5.254 2.680 -8.028 1.00 0.00 H new ATOM 0 HA SER A 54 -5.784 3.919 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.942 5.553 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.211 5.583 -6.910 1.00 0.00 H new ATOM 0 HG SER A 54 -5.744 5.459 -9.166 1.00 0.00 H new ATOM 703 N VAL A 55 -8.160 3.241 -5.154 1.00 0.00 N ATOM 704 CA VAL A 55 -9.535 2.797 -4.983 1.00 0.00 C ATOM 705 C VAL A 55 -10.364 3.818 -4.206 1.00 0.00 C ATOM 706 O VAL A 55 -9.924 4.348 -3.189 1.00 0.00 O ATOM 707 CB VAL A 55 -9.593 1.419 -4.280 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.932 1.470 -2.908 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.028 0.921 -4.171 1.00 0.00 C ATOM 0 H VAL A 55 -7.698 3.545 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.965 2.699 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.035 0.712 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.989 0.487 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.887 1.759 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.447 2.200 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.040 -0.049 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.617 1.633 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.456 0.822 -5.169 1.00 0.00 H new ATOM 719 N THR A 56 -11.555 4.110 -4.707 1.00 0.00 N ATOM 720 CA THR A 56 -12.444 5.047 -4.045 1.00 0.00 C ATOM 721 C THR A 56 -13.519 4.287 -3.271 1.00 0.00 C ATOM 722 O THR A 56 -13.853 3.147 -3.610 1.00 0.00 O ATOM 723 CB THR A 56 -13.092 6.022 -5.059 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.781 7.073 -4.373 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.057 5.302 -5.987 1.00 0.00 C ATOM 0 H THR A 56 -11.926 3.711 -5.569 1.00 0.00 H new ATOM 0 HA THR A 56 -11.855 5.641 -3.347 1.00 0.00 H new ATOM 0 HB THR A 56 -12.289 6.447 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.184 7.682 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.493 6.017 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.521 4.533 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.850 4.839 -5.399 1.00 0.00 H new ATOM 733 N ALA A 57 -14.040 4.903 -2.221 1.00 0.00 N ATOM 734 CA ALA A 57 -15.070 4.275 -1.410 1.00 0.00 C ATOM 735 C ALA A 57 -16.411 4.307 -2.133 1.00 0.00 C ATOM 736 O ALA A 57 -16.705 5.255 -2.866 1.00 0.00 O ATOM 737 CB ALA A 57 -15.175 4.970 -0.061 1.00 0.00 C ATOM 0 H ALA A 57 -13.767 5.836 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.795 3.234 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.950 4.490 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.220 4.900 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.430 6.019 -0.211 1.00 0.00 H new ATOM 743 N ASP A 58 -17.213 3.268 -1.942 1.00 0.00 N ATOM 744 CA ASP A 58 -18.524 3.187 -2.575 1.00 0.00 C ATOM 745 C ASP A 58 -19.599 3.747 -1.654 1.00 0.00 C ATOM 746 O ASP A 58 -19.299 4.242 -0.567 1.00 0.00 O ATOM 747 CB ASP A 58 -18.865 1.742 -2.985 1.00 0.00 C ATOM 748 CG ASP A 58 -18.681 0.718 -1.875 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.994 1.023 -0.710 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.237 -0.415 -2.176 1.00 0.00 O ATOM 0 H ASP A 58 -16.979 2.469 -1.353 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.491 3.791 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.899 1.708 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.240 1.459 -3.832 1.00 0.00 H new ATOM 755 N ALA A 59 -20.854 3.656 -2.087 1.00 0.00 N ATOM 756 CA ALA A 59 -21.978 4.162 -1.306 1.00 0.00 C ATOM 757 C ALA A 59 -22.180 3.360 -0.021 1.00 0.00 C ATOM 758 O ALA A 59 -22.914 3.778 0.871 1.00 0.00 O ATOM 759 CB ALA A 59 -23.248 4.152 -2.141 1.00 0.00 C ATOM 0 H ALA A 59 -21.118 3.235 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.747 5.188 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -24.078 4.532 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.112 4.784 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.466 3.133 -2.459 1.00 0.00 H new ATOM 765 N ASN A 60 -21.522 2.210 0.070 1.00 0.00 N ATOM 766 CA ASN A 60 -21.621 1.360 1.249 1.00 0.00 C ATOM 767 C ASN A 60 -20.466 1.659 2.196 1.00 0.00 C ATOM 768 O ASN A 60 -20.359 1.075 3.276 1.00 0.00 O ATOM 769 CB ASN A 60 -21.594 -0.119 0.852 1.00 0.00 C ATOM 770 CG ASN A 60 -22.883 -0.583 0.202 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.970 -0.105 0.528 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.773 -1.525 -0.724 1.00 0.00 N ATOM 0 H ASN A 60 -20.912 1.845 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.567 1.568 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.765 -0.290 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.403 -0.724 1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.607 -1.878 -1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.855 -1.896 -0.967 1.00 0.00 H new ATOM 779 N GLY A 61 -19.596 2.566 1.773 1.00 0.00 N ATOM 780 CA GLY A 61 -18.456 2.938 2.581 1.00 0.00 C ATOM 781 C GLY A 61 -17.371 1.883 2.559 1.00 0.00 C ATOM 782 O GLY A 61 -16.582 1.773 3.497 1.00 0.00 O ATOM 0 H GLY A 61 -19.662 3.052 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.049 3.883 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.779 3.103 3.609 1.00 0.00 H new ATOM 786 N SER A 62 -17.334 1.104 1.492 1.00 0.00 N ATOM 787 CA SER A 62 -16.345 0.048 1.354 1.00 0.00 C ATOM 788 C SER A 62 -15.440 0.295 0.151 1.00 0.00 C ATOM 789 O SER A 62 -15.809 1.011 -0.783 1.00 0.00 O ATOM 790 CB SER A 62 -17.049 -1.304 1.223 1.00 0.00 C ATOM 791 OG SER A 62 -18.439 -1.132 0.995 1.00 0.00 O ATOM 0 H SER A 62 -17.979 1.183 0.706 1.00 0.00 H new ATOM 0 HA SER A 62 -15.718 0.043 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.609 -1.869 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.895 -1.888 2.130 1.00 0.00 H new ATOM 0 HG SER A 62 -18.574 -0.477 0.278 1.00 0.00 H new ATOM 797 N ALA A 63 -14.254 -0.285 0.190 1.00 0.00 N ATOM 798 CA ALA A 63 -13.293 -0.149 -0.888 1.00 0.00 C ATOM 799 C ALA A 63 -12.443 -1.405 -0.982 1.00 0.00 C ATOM 800 O ALA A 63 -11.797 -1.795 -0.009 1.00 0.00 O ATOM 801 CB ALA A 63 -12.416 1.075 -0.669 1.00 0.00 C ATOM 0 H ALA A 63 -13.931 -0.861 0.967 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.831 -0.017 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.701 1.161 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.040 1.968 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.878 0.973 0.274 1.00 0.00 H new ATOM 807 N SER A 64 -12.468 -2.047 -2.136 1.00 0.00 N ATOM 808 CA SER A 64 -11.695 -3.259 -2.351 1.00 0.00 C ATOM 809 C SER A 64 -10.734 -3.065 -3.520 1.00 0.00 C ATOM 810 O SER A 64 -11.122 -2.559 -4.577 1.00 0.00 O ATOM 811 CB SER A 64 -12.637 -4.433 -2.618 1.00 0.00 C ATOM 812 OG SER A 64 -13.771 -4.381 -1.762 1.00 0.00 O ATOM 0 H SER A 64 -13.017 -1.749 -2.942 1.00 0.00 H new ATOM 0 HA SER A 64 -11.111 -3.477 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.961 -4.414 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.105 -5.372 -2.466 1.00 0.00 H new ATOM 0 HG SER A 64 -14.360 -5.141 -1.952 1.00 0.00 H new ATOM 818 N THR A 65 -9.483 -3.451 -3.331 1.00 0.00 N ATOM 819 CA THR A 65 -8.488 -3.294 -4.373 1.00 0.00 C ATOM 820 C THR A 65 -7.501 -4.463 -4.392 1.00 0.00 C ATOM 821 O THR A 65 -7.350 -5.188 -3.402 1.00 0.00 O ATOM 822 CB THR A 65 -7.735 -1.957 -4.203 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.061 -1.608 -5.413 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.732 -2.025 -3.062 1.00 0.00 C ATOM 0 H THR A 65 -9.136 -3.873 -2.470 1.00 0.00 H new ATOM 0 HA THR A 65 -9.011 -3.287 -5.329 1.00 0.00 H new ATOM 0 HB THR A 65 -8.474 -1.192 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.146 -0.644 -5.568 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.220 -1.067 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.254 -2.248 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.002 -2.809 -3.265 1.00 0.00 H new ATOM 832 N SER A 66 -6.837 -4.633 -5.525 1.00 0.00 N ATOM 833 CA SER A 66 -5.877 -5.704 -5.712 1.00 0.00 C ATOM 834 C SER A 66 -4.487 -5.132 -5.999 1.00 0.00 C ATOM 835 O SER A 66 -4.330 -4.280 -6.875 1.00 0.00 O ATOM 836 CB SER A 66 -6.341 -6.592 -6.863 1.00 0.00 C ATOM 837 OG SER A 66 -7.685 -7.006 -6.664 1.00 0.00 O ATOM 0 H SER A 66 -6.950 -4.030 -6.340 1.00 0.00 H new ATOM 0 HA SER A 66 -5.812 -6.299 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.257 -6.049 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.693 -7.465 -6.940 1.00 0.00 H new ATOM 0 HG SER A 66 -7.967 -7.573 -7.412 1.00 0.00 H new ATOM 843 N LEU A 67 -3.485 -5.593 -5.258 1.00 0.00 N ATOM 844 CA LEU A 67 -2.116 -5.100 -5.423 1.00 0.00 C ATOM 845 C LEU A 67 -1.159 -6.212 -5.836 1.00 0.00 C ATOM 846 O LEU A 67 -1.142 -7.280 -5.233 1.00 0.00 O ATOM 847 CB LEU A 67 -1.621 -4.483 -4.107 1.00 0.00 C ATOM 848 CG LEU A 67 -1.820 -2.973 -3.953 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.174 -2.224 -5.105 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.295 -2.629 -3.854 1.00 0.00 C ATOM 0 H LEU A 67 -3.592 -6.307 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.133 -4.349 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.130 -4.982 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.558 -4.701 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.335 -2.662 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.328 -1.153 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.105 -2.437 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.624 -2.543 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.411 -1.551 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.807 -2.960 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.728 -3.130 -2.988 1.00 0.00 H new ATOM 862 N THR A 68 -0.357 -5.953 -6.857 1.00 0.00 N ATOM 863 CA THR A 68 0.624 -6.922 -7.319 1.00 0.00 C ATOM 864 C THR A 68 1.981 -6.611 -6.693 1.00 0.00 C ATOM 865 O THR A 68 2.688 -5.713 -7.146 1.00 0.00 O ATOM 866 CB THR A 68 0.759 -6.913 -8.856 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.540 -6.882 -9.467 1.00 0.00 O ATOM 868 CG2 THR A 68 1.519 -8.141 -9.333 1.00 0.00 C ATOM 0 H THR A 68 -0.366 -5.079 -7.382 1.00 0.00 H new ATOM 0 HA THR A 68 0.283 -7.912 -7.016 1.00 0.00 H new ATOM 0 HB THR A 68 1.314 -6.021 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.443 -6.875 -10.442 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.604 -8.117 -10.419 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.515 -8.147 -8.891 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.983 -9.041 -9.031 1.00 0.00 H new ATOM 876 N VAL A 69 2.327 -7.339 -5.642 1.00 0.00 N ATOM 877 CA VAL A 69 3.587 -7.115 -4.951 1.00 0.00 C ATOM 878 C VAL A 69 4.778 -7.634 -5.763 1.00 0.00 C ATOM 879 O VAL A 69 4.820 -8.799 -6.163 1.00 0.00 O ATOM 880 CB VAL A 69 3.583 -7.759 -3.539 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.278 -9.252 -3.605 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.905 -7.508 -2.827 1.00 0.00 C ATOM 0 H VAL A 69 1.755 -8.087 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 69 3.696 -6.036 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 69 2.787 -7.286 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.284 -9.669 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.297 -9.403 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.035 -9.752 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.879 -7.968 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.719 -7.941 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.064 -6.435 -2.723 1.00 0.00 H new ATOM 892 N ARG A 70 5.725 -6.746 -6.037 1.00 0.00 N ATOM 893 CA ARG A 70 6.927 -7.107 -6.772 1.00 0.00 C ATOM 894 C ARG A 70 8.066 -7.352 -5.792 1.00 0.00 C ATOM 895 O ARG A 70 7.986 -6.946 -4.628 1.00 0.00 O ATOM 896 CB ARG A 70 7.324 -5.994 -7.746 1.00 0.00 C ATOM 897 CG ARG A 70 6.177 -5.489 -8.607 1.00 0.00 C ATOM 898 CD ARG A 70 5.667 -6.554 -9.564 1.00 0.00 C ATOM 899 NE ARG A 70 4.682 -6.006 -10.494 1.00 0.00 N ATOM 900 CZ ARG A 70 4.151 -6.672 -11.512 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.532 -7.915 -11.777 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.241 -6.082 -12.272 1.00 0.00 N ATOM 0 H ARG A 70 5.682 -5.766 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 70 6.726 -8.013 -7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.735 -5.158 -7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.119 -6.360 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.361 -5.159 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.507 -4.620 -9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.503 -6.974 -10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.220 -7.371 -8.997 1.00 0.00 H new ATOM 0 HE ARG A 70 4.381 -5.042 -10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.239 -8.367 -11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.118 -8.419 -12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.954 -5.124 -12.073 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.827 -6.586 -13.057 1.00 0.00 H new ATOM 916 N ARG A 71 9.119 -8.000 -6.261 1.00 0.00 N ATOM 917 CA ARG A 71 10.274 -8.286 -5.420 1.00 0.00 C ATOM 918 C ARG A 71 11.114 -7.028 -5.235 1.00 0.00 C ATOM 919 O ARG A 71 11.773 -6.850 -4.213 1.00 0.00 O ATOM 920 CB ARG A 71 11.117 -9.397 -6.046 1.00 0.00 C ATOM 921 CG ARG A 71 12.026 -10.110 -5.058 1.00 0.00 C ATOM 922 CD ARG A 71 11.258 -11.118 -4.211 1.00 0.00 C ATOM 923 NE ARG A 71 10.707 -12.210 -5.016 1.00 0.00 N ATOM 924 CZ ARG A 71 10.618 -13.475 -4.607 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.056 -13.825 -3.407 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.082 -14.389 -5.405 1.00 0.00 N ATOM 0 H ARG A 71 9.200 -8.339 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 71 9.924 -8.619 -4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.453 -10.128 -6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.726 -8.972 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.822 -10.621 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.503 -9.377 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.920 -11.529 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.448 -10.609 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 71 10.369 -11.987 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.465 -13.124 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.984 -14.795 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.740 -14.122 -6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.012 -15.358 -5.095 1.00 0.00 H new ATOM 940 N SER A 72 11.076 -6.155 -6.228 1.00 0.00 N ATOM 941 CA SER A 72 11.821 -4.904 -6.183 1.00 0.00 C ATOM 942 C SER A 72 10.957 -3.769 -6.739 1.00 0.00 C ATOM 943 O SER A 72 10.169 -3.984 -7.666 1.00 0.00 O ATOM 944 CB SER A 72 13.118 -5.027 -6.991 1.00 0.00 C ATOM 945 OG SER A 72 13.730 -6.297 -6.805 1.00 0.00 O ATOM 0 H SER A 72 10.534 -6.290 -7.081 1.00 0.00 H new ATOM 0 HA SER A 72 12.079 -4.682 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.904 -4.877 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.811 -4.241 -6.691 1.00 0.00 H new ATOM 0 HG SER A 72 14.372 -6.246 -6.066 1.00 0.00 H new ATOM 951 N PHE A 73 11.102 -2.569 -6.179 1.00 0.00 N ATOM 952 CA PHE A 73 10.315 -1.419 -6.622 1.00 0.00 C ATOM 953 C PHE A 73 11.015 -0.105 -6.270 1.00 0.00 C ATOM 954 O PHE A 73 12.175 -0.102 -5.857 1.00 0.00 O ATOM 955 CB PHE A 73 8.915 -1.455 -5.985 1.00 0.00 C ATOM 956 CG PHE A 73 8.918 -1.349 -4.481 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.334 -2.414 -3.701 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.506 -0.185 -3.849 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.342 -2.322 -2.325 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.511 -0.088 -2.471 1.00 0.00 C ATOM 961 CZ PHE A 73 8.931 -1.160 -1.710 1.00 0.00 C ATOM 0 H PHE A 73 11.754 -2.368 -5.421 1.00 0.00 H new ATOM 0 HA PHE A 73 10.217 -1.475 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.321 -0.638 -6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.421 -2.384 -6.272 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.656 -3.329 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.177 0.656 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.671 -3.161 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.187 0.824 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.937 -1.088 -0.632 1.00 0.00 H new ATOM 971 N GLU A 74 10.311 1.006 -6.446 1.00 0.00 N ATOM 972 CA GLU A 74 10.858 2.320 -6.138 1.00 0.00 C ATOM 973 C GLU A 74 10.039 2.980 -5.040 1.00 0.00 C ATOM 974 O GLU A 74 8.821 2.836 -4.996 1.00 0.00 O ATOM 975 CB GLU A 74 10.868 3.222 -7.376 1.00 0.00 C ATOM 976 CG GLU A 74 11.687 2.683 -8.541 1.00 0.00 C ATOM 977 CD GLU A 74 10.884 1.788 -9.463 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.900 2.269 -10.063 1.00 0.00 O ATOM 979 OE2 GLU A 74 11.241 0.603 -9.606 1.00 0.00 O ATOM 0 H GLU A 74 9.355 1.022 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 74 11.886 2.183 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.841 3.373 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.259 4.200 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.089 3.519 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.539 2.125 -8.152 1.00 0.00 H new ATOM 986 N GLY A 75 10.706 3.709 -4.163 1.00 0.00 N ATOM 987 CA GLY A 75 10.018 4.375 -3.083 1.00 0.00 C ATOM 988 C GLY A 75 9.677 5.812 -3.411 1.00 0.00 C ATOM 989 O GLY A 75 10.569 6.651 -3.556 1.00 0.00 O ATOM 0 H GLY A 75 11.716 3.851 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.102 3.832 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.640 4.348 -2.189 1.00 0.00 H new ATOM 993 N PHE A 76 8.388 6.092 -3.536 1.00 0.00 N ATOM 994 CA PHE A 76 7.916 7.432 -3.846 1.00 0.00 C ATOM 995 C PHE A 76 7.021 7.937 -2.728 1.00 0.00 C ATOM 996 O PHE A 76 6.275 7.162 -2.126 1.00 0.00 O ATOM 997 CB PHE A 76 7.139 7.447 -5.162 1.00 0.00 C ATOM 998 CG PHE A 76 8.004 7.462 -6.395 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.715 6.335 -6.783 1.00 0.00 C ATOM 1000 CD2 PHE A 76 8.092 8.601 -7.176 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.496 6.351 -7.926 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.868 8.622 -8.319 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.571 7.495 -8.694 1.00 0.00 C ATOM 0 H PHE A 76 7.645 5.402 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 76 8.785 8.083 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.492 6.571 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.491 8.323 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.658 5.436 -6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.546 9.487 -6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.046 5.468 -8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.924 9.519 -8.918 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.179 7.508 -9.587 1.00 0.00 H new ATOM 1013 N LEU A 77 7.106 9.227 -2.445 1.00 0.00 N ATOM 1014 CA LEU A 77 6.298 9.834 -1.399 1.00 0.00 C ATOM 1015 C LEU A 77 4.904 10.153 -1.927 1.00 0.00 C ATOM 1016 O LEU A 77 4.633 10.005 -3.118 1.00 0.00 O ATOM 1017 CB LEU A 77 6.968 11.107 -0.874 1.00 0.00 C ATOM 1018 CG LEU A 77 8.399 10.922 -0.364 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.984 12.256 0.067 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.442 9.926 0.789 1.00 0.00 C ATOM 0 H LEU A 77 7.728 9.876 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 77 6.209 9.125 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.976 11.851 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.360 11.513 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 77 9.001 10.523 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.002 12.108 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.996 12.940 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.375 12.679 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.470 9.812 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.823 10.291 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.064 8.961 0.451 1.00 0.00 H new ATOM 1032 N PHE A 78 4.040 10.627 -1.041 1.00 0.00 N ATOM 1033 CA PHE A 78 2.665 10.957 -1.401 1.00 0.00 C ATOM 1034 C PHE A 78 2.608 12.188 -2.303 1.00 0.00 C ATOM 1035 O PHE A 78 1.599 12.442 -2.963 1.00 0.00 O ATOM 1036 CB PHE A 78 1.841 11.198 -0.134 1.00 0.00 C ATOM 1037 CG PHE A 78 0.556 10.419 -0.083 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.554 9.047 -0.259 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.650 11.061 0.141 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.628 8.328 -0.211 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.833 10.350 0.191 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.822 8.982 0.014 1.00 0.00 C ATOM 0 H PHE A 78 4.267 10.793 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 78 2.247 10.116 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.446 10.939 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.613 12.261 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.486 8.530 -0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.666 12.132 0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.616 7.257 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.766 10.865 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.746 8.424 0.051 1.00 0.00 H new ATOM 1052 N ASP A 79 3.691 12.948 -2.331 1.00 0.00 N ATOM 1053 CA ASP A 79 3.756 14.152 -3.148 1.00 0.00 C ATOM 1054 C ASP A 79 4.354 13.856 -4.526 1.00 0.00 C ATOM 1055 O ASP A 79 4.331 14.705 -5.422 1.00 0.00 O ATOM 1056 CB ASP A 79 4.567 15.240 -2.432 1.00 0.00 C ATOM 1057 CG ASP A 79 6.046 15.178 -2.747 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.638 14.083 -2.671 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.629 16.231 -3.075 1.00 0.00 O ATOM 0 H ASP A 79 4.538 12.753 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 79 2.739 14.514 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.181 16.219 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.426 15.142 -1.356 1.00 0.00 H new ATOM 1064 N GLY A 80 4.897 12.653 -4.688 1.00 0.00 N ATOM 1065 CA GLY A 80 5.473 12.267 -5.962 1.00 0.00 C ATOM 1066 C GLY A 80 6.991 12.240 -5.965 1.00 0.00 C ATOM 1067 O GLY A 80 7.600 11.803 -6.945 1.00 0.00 O ATOM 0 H GLY A 80 4.948 11.940 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.101 11.279 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.130 12.960 -6.730 1.00 0.00 H new ATOM 1071 N THR A 81 7.613 12.699 -4.890 1.00 0.00 N ATOM 1072 CA THR A 81 9.068 12.712 -4.813 1.00 0.00 C ATOM 1073 C THR A 81 9.615 11.318 -4.529 1.00 0.00 C ATOM 1074 O THR A 81 9.112 10.614 -3.655 1.00 0.00 O ATOM 1075 CB THR A 81 9.562 13.675 -3.720 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.922 14.946 -3.871 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.070 13.852 -3.793 1.00 0.00 C ATOM 0 H THR A 81 7.139 13.065 -4.064 1.00 0.00 H new ATOM 0 HA THR A 81 9.433 13.053 -5.782 1.00 0.00 H new ATOM 0 HB THR A 81 9.311 13.249 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.238 15.556 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.394 14.537 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.557 12.887 -3.655 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.342 14.259 -4.767 1.00 0.00 H new ATOM 1085 N ARG A 82 10.622 10.909 -5.288 1.00 0.00 N ATOM 1086 CA ARG A 82 11.233 9.609 -5.084 1.00 0.00 C ATOM 1087 C ARG A 82 12.347 9.715 -4.049 1.00 0.00 C ATOM 1088 O ARG A 82 13.108 10.686 -4.035 1.00 0.00 O ATOM 1089 CB ARG A 82 11.778 9.034 -6.400 1.00 0.00 C ATOM 1090 CG ARG A 82 12.983 9.776 -6.970 1.00 0.00 C ATOM 1091 CD ARG A 82 12.586 10.710 -8.104 1.00 0.00 C ATOM 1092 NE ARG A 82 12.334 12.075 -7.636 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.411 12.882 -8.160 1.00 0.00 C ATOM 1094 NH1 ARG A 82 10.642 12.459 -9.156 1.00 0.00 N ATOM 1095 NH2 ARG A 82 11.270 14.115 -7.692 1.00 0.00 N ATOM 0 H ARG A 82 11.029 11.457 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 82 10.466 8.927 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.053 7.992 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.980 9.042 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.465 10.350 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.716 9.055 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.377 10.725 -8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.691 10.325 -8.593 1.00 0.00 H new ATOM 0 HE ARG A 82 12.898 12.429 -6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.756 11.514 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.937 13.079 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.867 14.444 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.565 14.734 -8.091 1.00 0.00 H new ATOM 1109 N TRP A 83 12.427 8.731 -3.171 1.00 0.00 N ATOM 1110 CA TRP A 83 13.454 8.721 -2.143 1.00 0.00 C ATOM 1111 C TRP A 83 14.602 7.814 -2.575 1.00 0.00 C ATOM 1112 O TRP A 83 15.774 8.102 -2.325 1.00 0.00 O ATOM 1113 CB TRP A 83 12.867 8.252 -0.811 1.00 0.00 C ATOM 1114 CG TRP A 83 13.705 8.626 0.366 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.843 8.004 0.791 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.474 9.708 1.277 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.335 8.635 1.904 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.513 9.680 2.224 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.491 10.696 1.383 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.597 10.602 3.263 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.577 11.611 2.416 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.624 11.559 3.344 1.00 0.00 C ATOM 0 H TRP A 83 11.795 7.930 -3.148 1.00 0.00 H new ATOM 0 HA TRP A 83 13.836 9.733 -2.008 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.871 8.679 -0.690 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.749 7.169 -0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.290 7.141 0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.178 8.368 2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.680 10.744 0.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.403 10.563 3.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.823 12.379 2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.664 12.289 4.139 1.00 0.00 H new ATOM 1133 N GLY A 84 14.246 6.727 -3.239 1.00 0.00 N ATOM 1134 CA GLY A 84 15.229 5.780 -3.705 1.00 0.00 C ATOM 1135 C GLY A 84 14.590 4.469 -4.097 1.00 0.00 C ATOM 1136 O GLY A 84 13.372 4.310 -3.993 1.00 0.00 O ATOM 0 H GLY A 84 13.281 6.484 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.761 6.197 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.968 5.607 -2.923 1.00 0.00 H new ATOM 1140 N THR A 85 15.399 3.532 -4.544 1.00 0.00 N ATOM 1141 CA THR A 85 14.904 2.232 -4.941 1.00 0.00 C ATOM 1142 C THR A 85 14.880 1.286 -3.747 1.00 0.00 C ATOM 1143 O THR A 85 15.810 1.274 -2.936 1.00 0.00 O ATOM 1144 CB THR A 85 15.768 1.638 -6.061 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.870 2.520 -6.347 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.937 1.432 -7.318 1.00 0.00 C ATOM 0 H THR A 85 16.408 3.648 -4.642 1.00 0.00 H new ATOM 0 HA THR A 85 13.888 2.357 -5.316 1.00 0.00 H new ATOM 0 HB THR A 85 16.153 0.673 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.420 2.136 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.564 1.010 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.115 0.749 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.535 2.389 -7.650 1.00 0.00 H new ATOM 1154 N VAL A 86 13.817 0.503 -3.633 1.00 0.00 N ATOM 1155 CA VAL A 86 13.678 -0.429 -2.525 1.00 0.00 C ATOM 1156 C VAL A 86 13.575 -1.857 -3.030 1.00 0.00 C ATOM 1157 O VAL A 86 12.889 -2.139 -4.015 1.00 0.00 O ATOM 1158 CB VAL A 86 12.454 -0.117 -1.638 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.865 -0.101 -0.178 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.805 1.201 -2.029 1.00 0.00 C ATOM 0 H VAL A 86 13.040 0.495 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 86 14.575 -0.315 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 86 11.713 -0.902 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.996 0.120 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.269 -1.075 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.626 0.664 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.947 1.389 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.527 2.010 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.475 1.150 -3.067 1.00 0.00 H new ATOM 1170 N ASP A 87 14.261 -2.757 -2.353 1.00 0.00 N ATOM 1171 CA ASP A 87 14.258 -4.156 -2.730 1.00 0.00 C ATOM 1172 C ASP A 87 13.726 -5.017 -1.592 1.00 0.00 C ATOM 1173 O ASP A 87 14.116 -4.844 -0.439 1.00 0.00 O ATOM 1174 CB ASP A 87 15.668 -4.598 -3.108 1.00 0.00 C ATOM 1175 CG ASP A 87 15.708 -6.037 -3.556 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.544 -6.289 -4.766 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.897 -6.924 -2.704 1.00 0.00 O ATOM 0 H ASP A 87 14.830 -2.542 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 87 13.603 -4.281 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.046 -3.959 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.331 -4.466 -2.253 1.00 0.00 H new ATOM 1182 N CYS A 88 12.841 -5.944 -1.919 1.00 0.00 N ATOM 1183 CA CYS A 88 12.255 -6.824 -0.921 1.00 0.00 C ATOM 1184 C CYS A 88 12.703 -8.271 -1.124 1.00 0.00 C ATOM 1185 O CYS A 88 12.006 -9.204 -0.736 1.00 0.00 O ATOM 1186 CB CYS A 88 10.728 -6.731 -0.966 1.00 0.00 C ATOM 1187 SG CYS A 88 10.056 -5.183 -0.279 1.00 0.00 S ATOM 0 H CYS A 88 12.512 -6.107 -2.871 1.00 0.00 H new ATOM 0 HA CYS A 88 12.603 -6.500 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.399 -6.830 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.307 -7.573 -0.416 1.00 0.00 H new ATOM 1192 N THR A 89 13.869 -8.460 -1.735 1.00 0.00 N ATOM 1193 CA THR A 89 14.399 -9.801 -1.944 1.00 0.00 C ATOM 1194 C THR A 89 15.035 -10.289 -0.646 1.00 0.00 C ATOM 1195 O THR A 89 14.786 -11.405 -0.189 1.00 0.00 O ATOM 1196 CB THR A 89 15.443 -9.839 -3.079 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.997 -9.035 -4.179 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.673 -11.263 -3.557 1.00 0.00 C ATOM 0 H THR A 89 14.459 -7.708 -2.091 1.00 0.00 H new ATOM 0 HA THR A 89 13.575 -10.451 -2.236 1.00 0.00 H new ATOM 0 HB THR A 89 16.382 -9.444 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.665 -9.062 -4.896 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.413 -11.263 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.035 -11.871 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.736 -11.678 -3.929 1.00 0.00 H new ATOM 1206 N THR A 90 15.842 -9.419 -0.051 1.00 0.00 N ATOM 1207 CA THR A 90 16.507 -9.718 1.211 1.00 0.00 C ATOM 1208 C THR A 90 15.805 -8.982 2.350 1.00 0.00 C ATOM 1209 O THR A 90 16.237 -9.022 3.504 1.00 0.00 O ATOM 1210 CB THR A 90 18.001 -9.317 1.169 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.688 -9.800 2.337 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.157 -7.807 1.081 1.00 0.00 C ATOM 0 H THR A 90 16.053 -8.494 -0.426 1.00 0.00 H new ATOM 0 HA THR A 90 16.451 -10.794 1.378 1.00 0.00 H new ATOM 0 HB THR A 90 18.440 -9.770 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.108 -9.704 3.121 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.216 -7.552 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.672 -7.443 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.695 -7.342 1.952 1.00 0.00 H new ATOM 1220 N ALA A 91 14.712 -8.314 2.010 1.00 0.00 N ATOM 1221 CA ALA A 91 13.932 -7.560 2.979 1.00 0.00 C ATOM 1222 C ALA A 91 12.460 -7.943 2.879 1.00 0.00 C ATOM 1223 O ALA A 91 12.102 -8.853 2.130 1.00 0.00 O ATOM 1224 CB ALA A 91 14.119 -6.067 2.753 1.00 0.00 C ATOM 0 H ALA A 91 14.343 -8.280 1.060 1.00 0.00 H new ATOM 0 HA ALA A 91 14.282 -7.801 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.531 -5.512 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.173 -5.811 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.788 -5.807 1.748 1.00 0.00 H new ATOM 1230 N ALA A 92 11.613 -7.257 3.626 1.00 0.00 N ATOM 1231 CA ALA A 92 10.190 -7.542 3.613 1.00 0.00 C ATOM 1232 C ALA A 92 9.406 -6.355 3.083 1.00 0.00 C ATOM 1233 O ALA A 92 9.741 -5.200 3.355 1.00 0.00 O ATOM 1234 CB ALA A 92 9.719 -7.916 5.007 1.00 0.00 C ATOM 0 H ALA A 92 11.887 -6.498 4.250 1.00 0.00 H new ATOM 0 HA ALA A 92 10.013 -8.386 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.650 -8.128 4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.257 -8.800 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.911 -7.089 5.690 1.00 0.00 H new ATOM 1240 N CYS A 93 8.379 -6.653 2.308 1.00 0.00 N ATOM 1241 CA CYS A 93 7.513 -5.636 1.738 1.00 0.00 C ATOM 1242 C CYS A 93 6.245 -5.544 2.572 1.00 0.00 C ATOM 1243 O CYS A 93 5.770 -6.553 3.092 1.00 0.00 O ATOM 1244 CB CYS A 93 7.161 -5.991 0.288 1.00 0.00 C ATOM 1245 SG CYS A 93 8.149 -5.125 -0.978 1.00 0.00 S ATOM 0 H CYS A 93 8.121 -7.607 2.056 1.00 0.00 H new ATOM 0 HA CYS A 93 8.028 -4.675 1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.285 -7.065 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.107 -5.768 0.121 1.00 0.00 H new ATOM 1250 N GLN A 94 5.707 -4.348 2.725 1.00 0.00 N ATOM 1251 CA GLN A 94 4.493 -4.183 3.499 1.00 0.00 C ATOM 1252 C GLN A 94 3.454 -3.386 2.727 1.00 0.00 C ATOM 1253 O GLN A 94 3.784 -2.501 1.937 1.00 0.00 O ATOM 1254 CB GLN A 94 4.778 -3.528 4.855 1.00 0.00 C ATOM 1255 CG GLN A 94 5.299 -2.105 4.774 1.00 0.00 C ATOM 1256 CD GLN A 94 5.501 -1.499 6.147 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.566 -1.632 6.747 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.479 -0.835 6.657 1.00 0.00 N ATOM 0 H GLN A 94 6.086 -3.488 2.329 1.00 0.00 H new ATOM 0 HA GLN A 94 4.089 -5.178 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.862 -3.532 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.505 -4.137 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.243 -2.095 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.598 -1.493 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.612 -0.747 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.557 -0.410 7.581 1.00 0.00 H new ATOM 1267 N VAL A 95 2.199 -3.728 2.952 1.00 0.00 N ATOM 1268 CA VAL A 95 1.091 -3.060 2.293 1.00 0.00 C ATOM 1269 C VAL A 95 0.831 -1.710 2.947 1.00 0.00 C ATOM 1270 O VAL A 95 0.535 -1.641 4.143 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.198 -3.903 2.356 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.257 -3.352 1.416 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.087 -5.366 2.047 1.00 0.00 C ATOM 0 H VAL A 95 1.920 -4.471 3.592 1.00 0.00 H new ATOM 0 HA VAL A 95 1.367 -2.924 1.247 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.583 -3.842 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.156 -3.966 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.497 -2.327 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.880 -3.368 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.841 -5.936 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.510 -5.451 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.796 -5.760 2.775 1.00 0.00 H new ATOM 1283 N GLY A 96 0.958 -0.650 2.164 1.00 0.00 N ATOM 1284 CA GLY A 96 0.741 0.680 2.678 1.00 0.00 C ATOM 1285 C GLY A 96 -0.660 1.175 2.413 1.00 0.00 C ATOM 1286 O GLY A 96 -1.019 1.453 1.269 1.00 0.00 O ATOM 0 H GLY A 96 1.209 -0.691 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.930 0.687 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.458 1.364 2.224 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.453 1.274 3.467 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.819 1.747 3.347 1.00 0.00 C ATOM 1292 C LEU A 97 -2.891 3.221 3.733 1.00 0.00 C ATOM 1293 O LEU A 97 -2.713 3.572 4.899 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.758 0.926 4.241 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.848 -0.567 3.911 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.794 -1.357 4.674 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -5.239 -1.094 4.228 1.00 0.00 C ATOM 0 H LEU A 97 -1.172 1.032 4.417 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.138 1.628 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.431 1.032 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.758 1.355 4.178 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.660 -0.693 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.879 -2.414 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.802 -0.998 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.946 -1.226 5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.289 -2.156 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.450 -0.950 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.977 -0.553 3.635 1.00 0.00 H new ATOM 1309 N SER A 98 -3.122 4.082 2.754 1.00 0.00 N ATOM 1310 CA SER A 98 -3.205 5.513 3.008 1.00 0.00 C ATOM 1311 C SER A 98 -4.490 6.105 2.441 1.00 0.00 C ATOM 1312 O SER A 98 -4.947 5.715 1.369 1.00 0.00 O ATOM 1313 CB SER A 98 -1.995 6.214 2.394 1.00 0.00 C ATOM 1314 OG SER A 98 -0.791 5.554 2.752 1.00 0.00 O ATOM 0 H SER A 98 -3.255 3.816 1.778 1.00 0.00 H new ATOM 0 HA SER A 98 -3.212 5.667 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.094 6.235 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.960 7.250 2.731 1.00 0.00 H new ATOM 0 HG SER A 98 -0.030 6.019 2.346 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.082 7.028 3.177 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.299 7.689 2.735 1.00 0.00 C ATOM 1322 C ASP A 99 -5.948 9.008 2.052 1.00 0.00 C ATOM 1323 O ASP A 99 -4.770 9.314 1.864 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.246 7.920 3.920 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.073 9.278 4.571 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.078 9.478 5.294 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.938 10.154 4.362 1.00 0.00 O ATOM 0 H ASP A 99 -4.740 7.338 4.086 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.813 7.050 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.276 7.817 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.079 7.143 4.666 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.963 9.782 1.689 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.764 11.070 1.032 1.00 0.00 C ATOM 1334 C ALA A 100 -5.917 12.021 1.881 1.00 0.00 C ATOM 1335 O ALA A 100 -5.186 12.856 1.346 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.109 11.702 0.716 1.00 0.00 C ATOM 0 H ALA A 100 -7.942 9.538 1.840 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.219 10.890 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.953 12.663 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.674 11.045 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.667 11.852 1.640 1.00 0.00 H new ATOM 1342 N ALA A 101 -6.028 11.894 3.200 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.265 12.735 4.118 1.00 0.00 C ATOM 1344 C ALA A 101 -3.861 12.176 4.316 1.00 0.00 C ATOM 1345 O ALA A 101 -2.891 12.929 4.435 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.978 12.850 5.457 1.00 0.00 C ATOM 0 H ALA A 101 -6.639 11.217 3.657 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.185 13.730 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.394 13.481 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.963 13.293 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.089 11.859 5.896 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.759 10.854 4.355 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.470 10.212 4.532 1.00 0.00 C ATOM 1354 C GLY A 102 -2.456 9.238 5.694 1.00 0.00 C ATOM 1355 O GLY A 102 -1.409 8.695 6.046 1.00 0.00 O ATOM 0 H GLY A 102 -4.548 10.213 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.203 9.683 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.708 10.975 4.693 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.621 9.008 6.274 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.750 8.096 7.402 1.00 0.00 C ATOM 1361 C ASN A 103 -4.464 6.823 6.959 1.00 0.00 C ATOM 1362 O ASN A 103 -4.374 6.433 5.794 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.512 8.776 8.546 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.660 9.766 9.321 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.949 9.391 10.256 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.743 11.037 8.955 1.00 0.00 N ATOM 0 H ASN A 103 -4.497 9.442 5.982 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.757 7.830 7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.381 9.293 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.886 8.014 9.230 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.206 11.747 9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.344 11.305 8.175 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.167 6.180 7.877 1.00 0.00 N ATOM 1374 CA GLY A 104 -5.879 4.965 7.551 1.00 0.00 C ATOM 1375 C GLY A 104 -5.413 3.803 8.400 1.00 0.00 C ATOM 1376 O GLY A 104 -4.817 4.015 9.458 1.00 0.00 O ATOM 0 H GLY A 104 -5.257 6.481 8.848 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.948 5.118 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.733 4.728 6.497 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.670 2.560 7.971 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.257 1.364 8.713 1.00 0.00 C ATOM 1382 C PRO A 105 -3.738 1.213 8.747 1.00 0.00 C ATOM 1383 O PRO A 105 -3.032 1.748 7.887 1.00 0.00 O ATOM 1384 CB PRO A 105 -5.896 0.205 7.935 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.908 0.838 7.038 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.388 2.212 6.739 1.00 0.00 C ATOM 0 HA PRO A 105 -5.570 1.405 9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.148 -0.341 7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.364 -0.511 8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.034 0.260 6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.884 0.886 7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.728 2.215 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.195 2.914 6.529 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.238 0.494 9.742 1.00 0.00 N ATOM 1395 CA GLU A 106 -1.804 0.283 9.885 1.00 0.00 C ATOM 1396 C GLU A 106 -1.259 -0.584 8.756 1.00 0.00 C ATOM 1397 O GLU A 106 -2.011 -1.292 8.087 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.491 -0.365 11.227 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.600 0.592 12.400 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.946 0.049 13.647 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.635 -0.636 14.434 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.262 0.295 13.847 1.00 0.00 O ATOM 0 H GLU A 106 -3.804 0.047 10.463 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.320 1.258 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.172 -1.201 11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.482 -0.777 11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.137 1.542 12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.651 0.795 12.603 1.00 0.00 H new ATOM 1409 N GLY A 107 0.051 -0.525 8.561 1.00 0.00 N ATOM 1410 CA GLY A 107 0.690 -1.294 7.510 1.00 0.00 C ATOM 1411 C GLY A 107 0.841 -2.762 7.857 1.00 0.00 C ATOM 1412 O GLY A 107 1.091 -3.117 9.009 1.00 0.00 O ATOM 0 H GLY A 107 0.688 0.046 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.107 -1.201 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.674 -0.872 7.306 1.00 0.00 H new ATOM 1416 N VAL A 108 0.695 -3.615 6.853 1.00 0.00 N ATOM 1417 CA VAL A 108 0.814 -5.052 7.042 1.00 0.00 C ATOM 1418 C VAL A 108 2.040 -5.579 6.304 1.00 0.00 C ATOM 1419 O VAL A 108 2.092 -5.546 5.074 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.436 -5.799 6.533 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.412 -7.255 6.979 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.707 -5.108 7.006 1.00 0.00 C ATOM 0 H VAL A 108 0.493 -3.333 5.894 1.00 0.00 H new ATOM 0 HA VAL A 108 0.914 -5.232 8.112 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.426 -5.778 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.302 -7.763 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.477 -7.743 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.393 -7.302 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.576 -5.652 6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.728 -5.090 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.729 -4.087 6.626 1.00 0.00 H new ATOM 1432 N ALA A 109 3.030 -6.044 7.053 1.00 0.00 N ATOM 1433 CA ALA A 109 4.254 -6.569 6.458 1.00 0.00 C ATOM 1434 C ALA A 109 4.096 -8.035 6.071 1.00 0.00 C ATOM 1435 O ALA A 109 3.553 -8.835 6.836 1.00 0.00 O ATOM 1436 CB ALA A 109 5.427 -6.395 7.412 1.00 0.00 C ATOM 0 H ALA A 109 3.011 -6.069 8.073 1.00 0.00 H new ATOM 0 HA ALA A 109 4.454 -6.002 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.332 -6.792 6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.565 -5.336 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.225 -6.932 8.339 1.00 0.00 H new ATOM 1442 N ILE A 110 4.576 -8.387 4.888 1.00 0.00 N ATOM 1443 CA ILE A 110 4.487 -9.756 4.405 1.00 0.00 C ATOM 1444 C ILE A 110 5.854 -10.266 3.966 1.00 0.00 C ATOM 1445 O ILE A 110 6.668 -9.513 3.425 1.00 0.00 O ATOM 1446 CB ILE A 110 3.498 -9.889 3.224 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.849 -8.908 2.104 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.073 -9.656 3.702 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.198 -9.231 0.776 1.00 0.00 C ATOM 0 H ILE A 110 5.032 -7.741 4.243 1.00 0.00 H new ATOM 0 HA ILE A 110 4.119 -10.357 5.236 1.00 0.00 H new ATOM 0 HB ILE A 110 3.576 -10.901 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.552 -7.904 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.931 -8.894 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.387 -9.752 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.820 -10.393 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.990 -8.655 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.496 -8.490 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.514 -10.221 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.114 -9.215 0.889 1.00 0.00 H new ATOM 1461 N SER A 111 6.108 -11.539 4.218 1.00 0.00 N ATOM 1462 CA SER A 111 7.371 -12.148 3.844 1.00 0.00 C ATOM 1463 C SER A 111 7.152 -13.212 2.768 1.00 0.00 C ATOM 1464 O SER A 111 6.110 -13.870 2.742 1.00 0.00 O ATOM 1465 CB SER A 111 8.029 -12.761 5.078 1.00 0.00 C ATOM 1466 OG SER A 111 7.957 -11.877 6.190 1.00 0.00 O ATOM 0 H SER A 111 5.455 -12.171 4.681 1.00 0.00 H new ATOM 0 HA SER A 111 8.030 -11.382 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.538 -13.702 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.072 -12.993 4.861 1.00 0.00 H new ATOM 0 HG SER A 111 8.384 -12.294 6.967 1.00 0.00 H new ATOM 1472 N PHE A 112 8.128 -13.370 1.881 1.00 0.00 N ATOM 1473 CA PHE A 112 8.035 -14.350 0.802 1.00 0.00 C ATOM 1474 C PHE A 112 8.542 -15.709 1.268 1.00 0.00 C ATOM 1475 O PHE A 112 9.044 -15.844 2.388 1.00 0.00 O ATOM 1476 CB PHE A 112 8.846 -13.890 -0.413 1.00 0.00 C ATOM 1477 CG PHE A 112 8.486 -12.518 -0.906 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.334 -12.314 -1.650 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.302 -11.433 -0.632 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.004 -11.054 -2.110 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.976 -10.171 -1.090 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.828 -9.981 -1.829 1.00 0.00 C ATOM 0 H PHE A 112 8.994 -12.832 1.887 1.00 0.00 H new ATOM 0 HA PHE A 112 6.987 -14.440 0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.905 -13.906 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.703 -14.605 -1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.687 -13.150 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.203 -11.575 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.104 -10.908 -2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.621 -9.333 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.573 -8.995 -2.188 1.00 0.00 H new ATOM 1492 N ASN A 113 8.407 -16.713 0.415 1.00 0.00 N ATOM 1493 CA ASN A 113 8.874 -18.054 0.744 1.00 0.00 C ATOM 1494 C ASN A 113 10.297 -18.244 0.246 1.00 0.00 C ATOM 1495 O ASN A 113 11.094 -18.894 0.956 1.00 0.00 O ATOM 1496 CB ASN A 113 7.958 -19.138 0.158 1.00 0.00 C ATOM 1497 CG ASN A 113 7.772 -19.027 -1.342 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.633 -19.426 -2.127 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.624 -18.516 -1.750 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.626 -17.719 -0.839 1.00 0.00 O ATOM 0 H ASN A 113 7.980 -16.627 -0.507 1.00 0.00 H new ATOM 0 HA ASN A 113 8.851 -18.157 1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.372 -20.118 0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.983 -19.079 0.642 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.425 -18.441 -2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.937 -18.197 -1.067 1.00 0.00 H new