USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 19 ASN : amide:sc= -1.22 K(o=-1.4,f=-2!) USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.189 X(o=-1.4,f=-1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -48:sc= 1.2 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -116:sc= -1.94 (180deg=-5.55!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -4.28! C(o=-4.3!,f=-4.8!) USER MOD Single : A 21 MET CE :methyl -106:sc= -0.0291 (180deg=-2.35!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -174:sc= 0 (180deg=-0.0461) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -68:sc= 1.09 USER MOD Single : A 54 MET CE :methyl -163:sc= -0.106 (180deg=-0.504) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -157:sc= 0.7 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.216 15.457 6.800 1.00 0.00 N ATOM 2 CA MET A 1 -15.492 16.175 7.073 1.00 0.00 C ATOM 3 C MET A 1 -16.695 15.362 6.601 1.00 0.00 C ATOM 4 O MET A 1 -17.568 15.015 7.396 1.00 0.00 O ATOM 5 CB MET A 1 -15.455 17.533 6.362 1.00 0.00 C ATOM 6 CG MET A 1 -16.129 18.651 7.143 1.00 0.00 C ATOM 7 SD MET A 1 -16.734 19.974 6.078 1.00 0.00 S ATOM 8 CE MET A 1 -15.954 21.400 6.830 1.00 0.00 C ATOM 0 H1 MET A 1 -13.416 16.033 7.131 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.217 14.545 7.300 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.123 15.291 5.778 1.00 0.00 H new ATOM 0 HA MET A 1 -15.596 16.320 8.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.417 17.807 6.175 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.939 17.438 5.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.962 18.240 7.714 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.422 19.064 7.863 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.233 22.299 6.281 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.282 21.490 7.866 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.871 21.279 6.802 1.00 0.00 H new ATOM 20 N VAL A 2 -16.733 15.055 5.303 1.00 0.00 N ATOM 21 CA VAL A 2 -17.829 14.278 4.731 1.00 0.00 C ATOM 22 C VAL A 2 -17.373 12.853 4.396 1.00 0.00 C ATOM 23 O VAL A 2 -17.695 12.317 3.334 1.00 0.00 O ATOM 24 CB VAL A 2 -18.397 14.953 3.459 1.00 0.00 C ATOM 25 CG1 VAL A 2 -19.717 14.312 3.049 1.00 0.00 C ATOM 26 CG2 VAL A 2 -18.573 16.449 3.679 1.00 0.00 C ATOM 0 H VAL A 2 -16.018 15.333 4.631 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.618 14.233 5.482 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.682 14.807 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.097 14.803 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.559 13.253 2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.441 14.421 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.973 16.905 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.264 16.616 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.608 16.898 3.916 1.00 0.00 H new ATOM 36 N SER A 3 -16.620 12.246 5.319 1.00 0.00 N ATOM 37 CA SER A 3 -16.110 10.887 5.141 1.00 0.00 C ATOM 38 C SER A 3 -15.297 10.770 3.849 1.00 0.00 C ATOM 39 O SER A 3 -15.812 10.343 2.813 1.00 0.00 O ATOM 40 CB SER A 3 -17.262 9.880 5.145 1.00 0.00 C ATOM 41 OG SER A 3 -16.894 8.693 5.826 1.00 0.00 O ATOM 0 H SER A 3 -16.350 12.680 6.202 1.00 0.00 H new ATOM 0 HA SER A 3 -15.447 10.661 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.136 10.323 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.546 9.643 4.120 1.00 0.00 H new ATOM 0 HG SER A 3 -17.646 8.065 5.818 1.00 0.00 H new ATOM 47 N THR A 4 -14.023 11.168 3.930 1.00 0.00 N ATOM 48 CA THR A 4 -13.103 11.139 2.785 1.00 0.00 C ATOM 49 C THR A 4 -13.572 12.073 1.667 1.00 0.00 C ATOM 50 O THR A 4 -14.665 12.644 1.727 1.00 0.00 O ATOM 51 CB THR A 4 -12.917 9.712 2.237 1.00 0.00 C ATOM 52 OG1 THR A 4 -13.950 9.370 1.325 1.00 0.00 O ATOM 53 CG2 THR A 4 -12.871 8.643 3.312 1.00 0.00 C ATOM 0 H THR A 4 -13.600 11.519 4.789 1.00 0.00 H new ATOM 0 HA THR A 4 -12.138 11.492 3.150 1.00 0.00 H new ATOM 0 HB THR A 4 -11.949 9.734 1.737 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.820 9.596 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.738 7.666 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.038 8.841 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.804 8.653 3.875 1.00 0.00 H new ATOM 61 N TYR A 5 -12.730 12.223 0.648 1.00 0.00 N ATOM 62 CA TYR A 5 -13.040 13.085 -0.489 1.00 0.00 C ATOM 63 C TYR A 5 -13.189 12.275 -1.779 1.00 0.00 C ATOM 64 O TYR A 5 -14.040 12.584 -2.614 1.00 0.00 O ATOM 65 CB TYR A 5 -11.953 14.150 -0.654 1.00 0.00 C ATOM 66 CG TYR A 5 -12.215 15.411 0.141 1.00 0.00 C ATOM 67 CD1 TYR A 5 -12.247 15.387 1.532 1.00 0.00 C ATOM 68 CD2 TYR A 5 -12.429 16.624 -0.499 1.00 0.00 C ATOM 69 CE1 TYR A 5 -12.487 16.538 2.259 1.00 0.00 C ATOM 70 CE2 TYR A 5 -12.669 17.779 0.222 1.00 0.00 C ATOM 71 CZ TYR A 5 -12.696 17.731 1.599 1.00 0.00 C ATOM 72 OH TYR A 5 -12.934 18.878 2.321 1.00 0.00 O ATOM 0 H TYR A 5 -11.825 11.757 0.587 1.00 0.00 H new ATOM 0 HA TYR A 5 -13.993 13.575 -0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -10.995 13.730 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -11.865 14.407 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.082 14.455 2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -12.408 16.666 -1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -12.511 16.503 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -12.835 18.715 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 5 -13.059 19.631 1.707 1.00 0.00 H new ATOM 82 N ASP A 6 -12.360 11.240 -1.935 1.00 0.00 N ATOM 83 CA ASP A 6 -12.407 10.386 -3.122 1.00 0.00 C ATOM 84 C ASP A 6 -11.794 9.012 -2.837 1.00 0.00 C ATOM 85 O ASP A 6 -11.282 8.765 -1.740 1.00 0.00 O ATOM 86 CB ASP A 6 -11.674 11.056 -4.295 1.00 0.00 C ATOM 87 CG ASP A 6 -12.410 10.900 -5.617 1.00 0.00 C ATOM 88 OD1 ASP A 6 -12.878 9.780 -5.914 1.00 0.00 O ATOM 89 OD2 ASP A 6 -12.514 11.899 -6.357 1.00 0.00 O ATOM 0 H ASP A 6 -11.649 10.974 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.454 10.245 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.546 12.117 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.676 10.626 -4.387 1.00 0.00 H new ATOM 94 N GLU A 7 -11.846 8.127 -3.834 1.00 0.00 N ATOM 95 CA GLU A 7 -11.296 6.780 -3.702 1.00 0.00 C ATOM 96 C GLU A 7 -10.247 6.510 -4.779 1.00 0.00 C ATOM 97 O GLU A 7 -10.404 6.925 -5.930 1.00 0.00 O ATOM 98 CB GLU A 7 -12.413 5.731 -3.781 1.00 0.00 C ATOM 99 CG GLU A 7 -13.396 5.950 -4.922 1.00 0.00 C ATOM 100 CD GLU A 7 -14.506 4.915 -4.939 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.211 3.732 -5.213 1.00 0.00 O ATOM 102 OE2 GLU A 7 -15.669 5.287 -4.677 1.00 0.00 O ATOM 0 H GLU A 7 -12.265 8.321 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.815 6.709 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.962 4.744 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.962 5.729 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.833 6.945 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.860 5.919 -5.870 1.00 0.00 H new ATOM 109 N ILE A 8 -9.176 5.816 -4.394 1.00 0.00 N ATOM 110 CA ILE A 8 -8.091 5.488 -5.318 1.00 0.00 C ATOM 111 C ILE A 8 -7.814 3.984 -5.334 1.00 0.00 C ATOM 112 O ILE A 8 -8.093 3.283 -4.362 1.00 0.00 O ATOM 113 CB ILE A 8 -6.790 6.238 -4.946 1.00 0.00 C ATOM 114 CG1 ILE A 8 -7.078 7.725 -4.706 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.746 6.066 -6.042 1.00 0.00 C ATOM 116 CD1 ILE A 8 -5.940 8.465 -4.038 1.00 0.00 C ATOM 0 H ILE A 8 -9.037 5.469 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.413 5.804 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.396 5.811 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.299 8.202 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.972 7.818 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.837 6.600 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.521 5.007 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.132 6.468 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.217 9.510 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.733 8.014 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.050 8.404 -4.664 1.00 0.00 H new ATOM 128 N GLU A 9 -7.263 3.495 -6.447 1.00 0.00 N ATOM 129 CA GLU A 9 -6.947 2.076 -6.591 1.00 0.00 C ATOM 130 C GLU A 9 -5.438 1.843 -6.563 1.00 0.00 C ATOM 131 O GLU A 9 -4.658 2.709 -6.968 1.00 0.00 O ATOM 132 CB GLU A 9 -7.530 1.530 -7.899 1.00 0.00 C ATOM 133 CG GLU A 9 -9.002 1.861 -8.103 1.00 0.00 C ATOM 134 CD GLU A 9 -9.678 0.937 -9.098 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.405 1.065 -10.310 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.485 0.087 -8.665 1.00 0.00 O ATOM 0 H GLU A 9 -7.027 4.063 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.394 1.547 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.958 1.931 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.405 0.447 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.520 1.799 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.094 2.891 -8.449 1.00 0.00 H new ATOM 143 N ILE A 10 -5.037 0.662 -6.085 1.00 0.00 N ATOM 144 CA ILE A 10 -3.622 0.294 -6.003 1.00 0.00 C ATOM 145 C ILE A 10 -2.950 0.328 -7.380 1.00 0.00 C ATOM 146 O ILE A 10 -1.747 0.578 -7.482 1.00 0.00 O ATOM 147 CB ILE A 10 -3.438 -1.109 -5.373 1.00 0.00 C ATOM 148 CG1 ILE A 10 -1.951 -1.416 -5.174 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.093 -2.185 -6.234 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.690 -2.530 -4.183 1.00 0.00 C ATOM 0 H ILE A 10 -5.676 -0.058 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.143 1.034 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.928 -1.109 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.512 -1.685 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.444 -0.513 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.949 -3.160 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.160 -1.980 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.639 -2.185 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.616 -2.692 -4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.098 -2.255 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.167 -3.446 -4.531 1.00 0.00 H new ATOM 162 N GLU A 11 -3.734 0.079 -8.433 1.00 0.00 N ATOM 163 CA GLU A 11 -3.218 0.088 -9.802 1.00 0.00 C ATOM 164 C GLU A 11 -2.594 1.442 -10.152 1.00 0.00 C ATOM 165 O GLU A 11 -1.650 1.509 -10.939 1.00 0.00 O ATOM 166 CB GLU A 11 -4.340 -0.240 -10.792 1.00 0.00 C ATOM 167 CG GLU A 11 -4.502 -1.729 -11.066 1.00 0.00 C ATOM 168 CD GLU A 11 -5.501 -2.018 -12.172 1.00 0.00 C ATOM 169 OE1 GLU A 11 -5.338 -1.468 -13.284 1.00 0.00 O ATOM 170 OE2 GLU A 11 -6.446 -2.797 -11.929 1.00 0.00 O ATOM 0 H GLU A 11 -4.730 -0.131 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.441 -0.673 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.280 0.153 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.143 0.274 -11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.534 -2.151 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.823 -2.229 -10.152 1.00 0.00 H new ATOM 177 N ASP A 12 -3.121 2.517 -9.559 1.00 0.00 N ATOM 178 CA ASP A 12 -2.606 3.863 -9.807 1.00 0.00 C ATOM 179 C ASP A 12 -1.569 4.270 -8.750 1.00 0.00 C ATOM 180 O ASP A 12 -1.411 5.455 -8.453 1.00 0.00 O ATOM 181 CB ASP A 12 -3.761 4.871 -9.821 1.00 0.00 C ATOM 182 CG ASP A 12 -4.381 5.022 -11.195 1.00 0.00 C ATOM 183 OD1 ASP A 12 -5.223 4.176 -11.562 1.00 0.00 O ATOM 184 OD2 ASP A 12 -4.024 5.986 -11.905 1.00 0.00 O ATOM 0 H ASP A 12 -3.903 2.480 -8.905 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.113 3.861 -10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.526 4.552 -9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.397 5.841 -9.481 1.00 0.00 H new ATOM 189 N MET A 13 -0.866 3.287 -8.183 1.00 0.00 N ATOM 190 CA MET A 13 0.144 3.553 -7.161 1.00 0.00 C ATOM 191 C MET A 13 1.510 3.004 -7.576 1.00 0.00 C ATOM 192 O MET A 13 1.613 2.232 -8.531 1.00 0.00 O ATOM 193 CB MET A 13 -0.294 2.929 -5.833 1.00 0.00 C ATOM 194 CG MET A 13 0.267 3.627 -4.604 1.00 0.00 C ATOM 195 SD MET A 13 -0.919 3.700 -3.247 1.00 0.00 S ATOM 196 CE MET A 13 -1.505 2.008 -3.214 1.00 0.00 C ATOM 0 H MET A 13 -0.979 2.300 -8.416 1.00 0.00 H new ATOM 0 HA MET A 13 0.240 4.632 -7.043 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.383 2.942 -5.780 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.014 1.884 -5.816 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.163 3.104 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.570 4.639 -4.872 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.566 1.986 -3.461 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.951 1.417 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.355 1.590 -2.218 1.00 0.00 H new ATOM 206 N THR A 14 2.556 3.409 -6.848 1.00 0.00 N ATOM 207 CA THR A 14 3.917 2.958 -7.136 1.00 0.00 C ATOM 208 C THR A 14 4.375 1.928 -6.107 1.00 0.00 C ATOM 209 O THR A 14 4.482 2.231 -4.917 1.00 0.00 O ATOM 210 CB THR A 14 4.898 4.139 -7.155 1.00 0.00 C ATOM 211 OG1 THR A 14 4.229 5.359 -7.434 1.00 0.00 O ATOM 212 CG2 THR A 14 6.001 3.979 -8.180 1.00 0.00 C ATOM 0 H THR A 14 2.484 4.048 -6.056 1.00 0.00 H new ATOM 0 HA THR A 14 3.907 2.495 -8.123 1.00 0.00 H new ATOM 0 HB THR A 14 5.340 4.157 -6.159 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.877 6.094 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.660 4.846 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.574 3.078 -7.960 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.564 3.897 -9.175 1.00 0.00 H new ATOM 220 N PHE A 15 4.645 0.713 -6.579 1.00 0.00 N ATOM 221 CA PHE A 15 5.097 -0.371 -5.708 1.00 0.00 C ATOM 222 C PHE A 15 6.621 -0.483 -5.720 1.00 0.00 C ATOM 223 O PHE A 15 7.263 -0.207 -6.736 1.00 0.00 O ATOM 224 CB PHE A 15 4.470 -1.703 -6.140 1.00 0.00 C ATOM 225 CG PHE A 15 4.670 -2.026 -7.597 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.815 -2.678 -8.026 1.00 0.00 C ATOM 227 CD2 PHE A 15 3.714 -1.672 -8.536 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.003 -2.970 -9.363 1.00 0.00 C ATOM 229 CE2 PHE A 15 3.898 -1.959 -9.875 1.00 0.00 C ATOM 230 CZ PHE A 15 5.044 -2.610 -10.289 1.00 0.00 C ATOM 0 H PHE A 15 4.559 0.453 -7.562 1.00 0.00 H new ATOM 0 HA PHE A 15 4.776 -0.141 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.895 -2.506 -5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.401 -1.677 -5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.569 -2.961 -7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.815 -1.166 -8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.900 -3.480 -9.684 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.147 -1.675 -10.597 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.190 -2.837 -11.335 1.00 0.00 H new ATOM 240 N GLU A 16 7.191 -0.894 -4.586 1.00 0.00 N ATOM 241 CA GLU A 16 8.641 -1.047 -4.463 1.00 0.00 C ATOM 242 C GLU A 16 9.003 -2.236 -3.572 1.00 0.00 C ATOM 243 O GLU A 16 8.262 -2.583 -2.650 1.00 0.00 O ATOM 244 CB GLU A 16 9.267 0.228 -3.891 1.00 0.00 C ATOM 245 CG GLU A 16 9.572 1.286 -4.940 1.00 0.00 C ATOM 246 CD GLU A 16 9.042 2.655 -4.557 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.508 3.208 -3.540 1.00 0.00 O ATOM 248 OE2 GLU A 16 8.161 3.174 -5.275 1.00 0.00 O ATOM 0 H GLU A 16 6.671 -1.127 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 16 9.037 -1.230 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.592 0.651 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.190 -0.032 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.650 1.346 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.136 0.985 -5.892 1.00 0.00 H new ATOM 255 N PRO A 17 10.164 -2.869 -3.836 1.00 0.00 N ATOM 256 CA PRO A 17 10.644 -4.020 -3.059 1.00 0.00 C ATOM 257 C PRO A 17 11.168 -3.633 -1.674 1.00 0.00 C ATOM 258 O PRO A 17 11.352 -4.497 -0.817 1.00 0.00 O ATOM 259 CB PRO A 17 11.781 -4.573 -3.920 1.00 0.00 C ATOM 260 CG PRO A 17 12.296 -3.391 -4.664 1.00 0.00 C ATOM 261 CD PRO A 17 11.106 -2.504 -4.914 1.00 0.00 C ATOM 0 HA PRO A 17 9.843 -4.732 -2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.560 -5.025 -3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.423 -5.345 -4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.057 -2.868 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.761 -3.693 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.377 -1.449 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.675 -2.681 -5.899 1.00 0.00 H new ATOM 269 N GLU A 18 11.412 -2.335 -1.460 1.00 0.00 N ATOM 270 CA GLU A 18 11.918 -1.851 -0.177 1.00 0.00 C ATOM 271 C GLU A 18 10.854 -1.985 0.914 1.00 0.00 C ATOM 272 O GLU A 18 10.137 -1.033 1.226 1.00 0.00 O ATOM 273 CB GLU A 18 12.378 -0.394 -0.290 1.00 0.00 C ATOM 274 CG GLU A 18 11.358 0.527 -0.946 1.00 0.00 C ATOM 275 CD GLU A 18 11.281 1.886 -0.275 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.100 1.931 0.961 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.398 2.905 -0.984 1.00 0.00 O ATOM 0 H GLU A 18 11.267 -1.606 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 18 12.775 -2.466 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.605 -0.017 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.305 -0.359 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.616 0.659 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.376 0.055 -0.916 1.00 0.00 H new ATOM 284 N ASN A 19 10.754 -3.190 1.475 1.00 0.00 N ATOM 285 CA ASN A 19 9.780 -3.490 2.528 1.00 0.00 C ATOM 286 C ASN A 19 8.342 -3.446 2.002 1.00 0.00 C ATOM 287 O ASN A 19 7.398 -3.304 2.783 1.00 0.00 O ATOM 288 CB ASN A 19 9.933 -2.517 3.702 1.00 0.00 C ATOM 289 CG ASN A 19 10.774 -3.095 4.821 1.00 0.00 C ATOM 290 OD1 ASN A 19 10.331 -3.983 5.549 1.00 0.00 O ATOM 291 ND2 ASN A 19 11.996 -2.595 4.965 1.00 0.00 N ATOM 0 H ASN A 19 11.341 -3.982 1.215 1.00 0.00 H new ATOM 0 HA ASN A 19 9.983 -4.504 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.389 -1.593 3.348 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.947 -2.258 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.607 -2.947 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.323 -1.859 4.339 1.00 0.00 H new ATOM 298 N GLN A 20 8.179 -3.580 0.681 1.00 0.00 N ATOM 299 CA GLN A 20 6.858 -3.564 0.056 1.00 0.00 C ATOM 300 C GLN A 20 6.072 -2.307 0.441 1.00 0.00 C ATOM 301 O GLN A 20 5.178 -2.355 1.290 1.00 0.00 O ATOM 302 CB GLN A 20 6.075 -4.819 0.449 1.00 0.00 C ATOM 303 CG GLN A 20 6.225 -5.965 -0.538 1.00 0.00 C ATOM 304 CD GLN A 20 5.873 -7.309 0.071 1.00 0.00 C ATOM 305 OE1 GLN A 20 4.911 -7.427 0.829 1.00 0.00 O ATOM 306 NE2 GLN A 20 6.652 -8.333 -0.258 1.00 0.00 N ATOM 0 H GLN A 20 8.950 -3.701 0.025 1.00 0.00 H new ATOM 0 HA GLN A 20 6.998 -3.552 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.408 -5.152 1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.019 -4.565 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.585 -5.782 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.252 -5.993 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.440 -8.192 -0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.462 -9.261 0.121 1.00 0.00 H new ATOM 315 N MET A 21 6.413 -1.184 -0.191 1.00 0.00 N ATOM 316 CA MET A 21 5.741 0.085 0.083 1.00 0.00 C ATOM 317 C MET A 21 5.009 0.597 -1.157 1.00 0.00 C ATOM 318 O MET A 21 5.469 0.407 -2.286 1.00 0.00 O ATOM 319 CB MET A 21 6.749 1.134 0.571 1.00 0.00 C ATOM 320 CG MET A 21 7.760 1.565 -0.485 1.00 0.00 C ATOM 321 SD MET A 21 8.029 3.349 -0.508 1.00 0.00 S ATOM 322 CE MET A 21 8.523 3.649 1.186 1.00 0.00 C ATOM 0 H MET A 21 7.149 -1.128 -0.895 1.00 0.00 H new ATOM 0 HA MET A 21 5.005 -0.089 0.868 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.204 2.012 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.286 0.733 1.431 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.709 1.061 -0.300 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.414 1.242 -1.467 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.706 4.132 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.764 2.702 1.668 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.399 4.297 1.200 1.00 0.00 H new ATOM 332 N PHE A 22 3.866 1.242 -0.935 1.00 0.00 N ATOM 333 CA PHE A 22 3.061 1.783 -2.025 1.00 0.00 C ATOM 334 C PHE A 22 2.782 3.267 -1.803 1.00 0.00 C ATOM 335 O PHE A 22 1.839 3.635 -1.098 1.00 0.00 O ATOM 336 CB PHE A 22 1.748 1.007 -2.144 1.00 0.00 C ATOM 337 CG PHE A 22 1.896 -0.324 -2.826 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.686 -1.320 -2.272 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.243 -0.579 -4.020 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.820 -2.544 -2.897 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.374 -1.801 -4.649 1.00 0.00 C ATOM 342 CZ PHE A 22 2.163 -2.785 -4.087 1.00 0.00 C ATOM 0 H PHE A 22 3.476 1.403 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 22 3.619 1.675 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.336 0.851 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.028 1.611 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.202 -1.136 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.624 0.187 -4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.438 -3.312 -2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.860 -1.987 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.266 -3.742 -4.578 1.00 0.00 H new ATOM 352 N THR A 23 3.617 4.114 -2.402 1.00 0.00 N ATOM 353 CA THR A 23 3.474 5.563 -2.266 1.00 0.00 C ATOM 354 C THR A 23 2.610 6.146 -3.384 1.00 0.00 C ATOM 355 O THR A 23 2.632 5.663 -4.518 1.00 0.00 O ATOM 356 CB THR A 23 4.850 6.239 -2.259 1.00 0.00 C ATOM 357 OG1 THR A 23 5.466 6.155 -3.536 1.00 0.00 O ATOM 358 CG2 THR A 23 5.806 5.643 -1.246 1.00 0.00 C ATOM 0 H THR A 23 4.400 3.822 -2.987 1.00 0.00 H new ATOM 0 HA THR A 23 2.976 5.758 -1.316 1.00 0.00 H new ATOM 0 HB THR A 23 4.656 7.276 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.341 6.595 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.760 6.168 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.386 5.745 -0.245 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.961 4.587 -1.469 1.00 0.00 H new ATOM 366 N TYR A 24 1.850 7.191 -3.051 1.00 0.00 N ATOM 367 CA TYR A 24 0.974 7.847 -4.019 1.00 0.00 C ATOM 368 C TYR A 24 0.951 9.361 -3.801 1.00 0.00 C ATOM 369 O TYR A 24 0.870 9.828 -2.666 1.00 0.00 O ATOM 370 CB TYR A 24 -0.446 7.278 -3.907 1.00 0.00 C ATOM 371 CG TYR A 24 -1.429 7.873 -4.892 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.970 9.137 -4.686 1.00 0.00 C ATOM 373 CD2 TYR A 24 -1.816 7.171 -6.025 1.00 0.00 C ATOM 374 CE1 TYR A 24 -2.867 9.683 -5.582 1.00 0.00 C ATOM 375 CE2 TYR A 24 -2.712 7.711 -6.926 1.00 0.00 C ATOM 376 CZ TYR A 24 -3.235 8.966 -6.701 1.00 0.00 C ATOM 377 OH TYR A 24 -4.128 9.506 -7.597 1.00 0.00 O ATOM 0 H TYR A 24 1.825 7.600 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 24 1.363 7.654 -5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.406 6.199 -4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.815 7.446 -2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.684 9.701 -3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.410 6.187 -6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.278 10.666 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.002 7.152 -7.804 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.280 8.873 -8.330 1.00 0.00 H new ATOM 387 N PRO A 25 1.010 10.150 -4.894 1.00 0.00 N ATOM 388 CA PRO A 25 0.987 11.617 -4.816 1.00 0.00 C ATOM 389 C PRO A 25 -0.342 12.148 -4.277 1.00 0.00 C ATOM 390 O PRO A 25 -1.328 12.241 -5.010 1.00 0.00 O ATOM 391 CB PRO A 25 1.195 12.060 -6.269 1.00 0.00 C ATOM 392 CG PRO A 25 0.748 10.899 -7.089 1.00 0.00 C ATOM 393 CD PRO A 25 1.095 9.676 -6.289 1.00 0.00 C ATOM 0 HA PRO A 25 1.744 11.999 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.613 12.953 -6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.240 12.302 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.323 10.948 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.249 10.888 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.399 8.859 -6.480 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.092 9.307 -6.529 1.00 0.00 H new ATOM 401 N CYS A 26 -0.357 12.495 -2.991 1.00 0.00 N ATOM 402 CA CYS A 26 -1.561 13.019 -2.350 1.00 0.00 C ATOM 403 C CYS A 26 -1.939 14.375 -2.939 1.00 0.00 C ATOM 404 O CYS A 26 -1.069 15.213 -3.188 1.00 0.00 O ATOM 405 CB CYS A 26 -1.347 13.152 -0.837 1.00 0.00 C ATOM 406 SG CYS A 26 -2.836 13.650 0.091 1.00 0.00 S ATOM 0 H CYS A 26 0.451 12.423 -2.373 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.375 12.318 -2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.992 12.198 -0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.559 13.883 -0.656 1.00 0.00 H new ATOM 411 N PRO A 27 -3.249 14.613 -3.164 1.00 0.00 N ATOM 412 CA PRO A 27 -3.744 15.879 -3.720 1.00 0.00 C ATOM 413 C PRO A 27 -3.257 17.101 -2.939 1.00 0.00 C ATOM 414 O PRO A 27 -3.170 18.198 -3.493 1.00 0.00 O ATOM 415 CB PRO A 27 -5.265 15.749 -3.603 1.00 0.00 C ATOM 416 CG PRO A 27 -5.518 14.284 -3.609 1.00 0.00 C ATOM 417 CD PRO A 27 -4.349 13.666 -2.894 1.00 0.00 C ATOM 0 HA PRO A 27 -3.387 16.035 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.633 16.211 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.770 16.242 -4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.455 14.047 -3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.599 13.905 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.539 13.564 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.125 12.670 -3.275 1.00 0.00 H new ATOM 425 N CYS A 28 -2.938 16.910 -1.653 1.00 0.00 N ATOM 426 CA CYS A 28 -2.462 18.006 -0.814 1.00 0.00 C ATOM 427 C CYS A 28 -1.073 18.481 -1.255 1.00 0.00 C ATOM 428 O CYS A 28 -0.790 19.681 -1.243 1.00 0.00 O ATOM 429 CB CYS A 28 -2.445 17.585 0.662 1.00 0.00 C ATOM 430 SG CYS A 28 -0.882 16.837 1.227 1.00 0.00 S ATOM 0 H CYS A 28 -3.002 16.010 -1.177 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.153 18.841 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.656 18.460 1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.254 16.874 0.832 1.00 0.00 H new ATOM 435 N GLY A 29 -0.214 17.537 -1.645 1.00 0.00 N ATOM 436 CA GLY A 29 1.128 17.888 -2.081 1.00 0.00 C ATOM 437 C GLY A 29 2.136 16.779 -1.845 1.00 0.00 C ATOM 438 O GLY A 29 2.917 16.445 -2.737 1.00 0.00 O ATOM 0 H GLY A 29 -0.424 16.539 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.107 18.133 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.453 18.785 -1.554 1.00 0.00 H new ATOM 442 N ASP A 30 2.125 16.209 -0.640 1.00 0.00 N ATOM 443 CA ASP A 30 3.051 15.133 -0.290 1.00 0.00 C ATOM 444 C ASP A 30 2.612 13.804 -0.910 1.00 0.00 C ATOM 445 O ASP A 30 1.655 13.757 -1.684 1.00 0.00 O ATOM 446 CB ASP A 30 3.149 15.002 1.234 1.00 0.00 C ATOM 447 CG ASP A 30 4.551 14.655 1.697 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.401 15.568 1.757 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.800 13.467 1.993 1.00 0.00 O ATOM 0 H ASP A 30 1.486 16.474 0.109 1.00 0.00 H new ATOM 0 HA ASP A 30 4.033 15.383 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.838 15.939 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.456 14.233 1.575 1.00 0.00 H new ATOM 454 N ARG A 31 3.319 12.725 -0.571 1.00 0.00 N ATOM 455 CA ARG A 31 2.998 11.404 -1.100 1.00 0.00 C ATOM 456 C ARG A 31 2.715 10.414 0.028 1.00 0.00 C ATOM 457 O ARG A 31 3.423 10.386 1.036 1.00 0.00 O ATOM 458 CB ARG A 31 4.147 10.889 -1.970 1.00 0.00 C ATOM 459 CG ARG A 31 4.086 11.373 -3.411 1.00 0.00 C ATOM 460 CD ARG A 31 5.438 11.254 -4.098 1.00 0.00 C ATOM 461 NE ARG A 31 5.308 10.890 -5.510 1.00 0.00 N ATOM 462 CZ ARG A 31 6.305 10.401 -6.252 1.00 0.00 C ATOM 463 NH1 ARG A 31 7.512 10.216 -5.723 1.00 0.00 N ATOM 464 NH2 ARG A 31 6.094 10.095 -7.528 1.00 0.00 N ATOM 0 H ARG A 31 4.115 12.742 0.066 1.00 0.00 H new ATOM 0 HA ARG A 31 2.099 11.495 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.093 11.203 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.138 9.799 -1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.346 10.791 -3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.756 12.412 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.971 12.202 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.040 10.504 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 31 4.399 11.018 -5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.681 10.448 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.268 9.842 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.171 10.234 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.855 9.722 -8.095 1.00 0.00 H new ATOM 478 N PHE A 32 1.675 9.598 -0.156 1.00 0.00 N ATOM 479 CA PHE A 32 1.289 8.596 0.837 1.00 0.00 C ATOM 480 C PHE A 32 2.361 7.514 0.969 1.00 0.00 C ATOM 481 O PHE A 32 3.273 7.427 0.144 1.00 0.00 O ATOM 482 CB PHE A 32 -0.049 7.955 0.455 1.00 0.00 C ATOM 483 CG PHE A 32 -1.243 8.646 1.053 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.705 8.297 2.313 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.905 9.643 0.354 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.804 8.928 2.863 1.00 0.00 C ATOM 487 CE2 PHE A 32 -3.006 10.276 0.899 1.00 0.00 C ATOM 488 CZ PHE A 32 -3.456 9.919 2.155 1.00 0.00 C ATOM 0 H PHE A 32 1.084 9.613 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 32 1.184 9.099 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.146 7.956 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.046 6.913 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.200 7.523 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.557 9.928 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.153 8.647 3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.514 11.050 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.316 10.413 2.583 1.00 0.00 H new ATOM 498 N GLN A 33 2.243 6.691 2.011 1.00 0.00 N ATOM 499 CA GLN A 33 3.201 5.614 2.253 1.00 0.00 C ATOM 500 C GLN A 33 2.561 4.476 3.050 1.00 0.00 C ATOM 501 O GLN A 33 2.465 4.541 4.277 1.00 0.00 O ATOM 502 CB GLN A 33 4.433 6.149 2.994 1.00 0.00 C ATOM 503 CG GLN A 33 4.099 7.084 4.148 1.00 0.00 C ATOM 504 CD GLN A 33 5.325 7.776 4.713 1.00 0.00 C ATOM 505 OE1 GLN A 33 6.309 7.128 5.071 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.274 9.102 4.799 1.00 0.00 N ATOM 0 H GLN A 33 1.494 6.750 2.700 1.00 0.00 H new ATOM 0 HA GLN A 33 3.513 5.220 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.009 5.307 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.071 6.676 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.387 7.836 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.609 6.517 4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.439 9.601 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.069 9.620 5.173 1.00 0.00 H new ATOM 515 N ILE A 34 2.120 3.435 2.343 1.00 0.00 N ATOM 516 CA ILE A 34 1.489 2.283 2.983 1.00 0.00 C ATOM 517 C ILE A 34 2.209 0.982 2.620 1.00 0.00 C ATOM 518 O ILE A 34 2.804 0.869 1.547 1.00 0.00 O ATOM 519 CB ILE A 34 -0.006 2.175 2.598 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.685 1.052 3.388 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.163 1.952 1.098 1.00 0.00 C ATOM 522 CD1 ILE A 34 -2.177 1.241 3.543 1.00 0.00 C ATOM 0 H ILE A 34 2.189 3.367 1.328 1.00 0.00 H new ATOM 0 HA ILE A 34 1.563 2.436 4.060 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.494 3.116 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.497 0.102 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.230 0.988 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.222 1.879 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.280 2.789 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.341 1.029 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.592 0.409 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.373 2.175 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.644 1.275 2.559 1.00 0.00 H new ATOM 534 N TYR A 35 2.148 0.004 3.524 1.00 0.00 N ATOM 535 CA TYR A 35 2.791 -1.289 3.307 1.00 0.00 C ATOM 536 C TYR A 35 1.765 -2.345 2.906 1.00 0.00 C ATOM 537 O TYR A 35 0.590 -2.250 3.268 1.00 0.00 O ATOM 538 CB TYR A 35 3.527 -1.734 4.574 1.00 0.00 C ATOM 539 CG TYR A 35 4.714 -0.863 4.925 1.00 0.00 C ATOM 540 CD1 TYR A 35 4.547 0.481 5.237 1.00 0.00 C ATOM 541 CD2 TYR A 35 6.001 -1.384 4.943 1.00 0.00 C ATOM 542 CE1 TYR A 35 5.627 1.280 5.553 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.087 -0.591 5.258 1.00 0.00 C ATOM 544 CZ TYR A 35 6.895 0.739 5.564 1.00 0.00 C ATOM 545 OH TYR A 35 7.976 1.532 5.878 1.00 0.00 O ATOM 0 H TYR A 35 1.658 0.085 4.415 1.00 0.00 H new ATOM 0 HA TYR A 35 3.510 -1.178 2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.827 -1.733 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.867 -2.761 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.555 0.908 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.155 -2.426 4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.480 2.323 5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.082 -1.011 5.264 1.00 0.00 H new ATOM 0 HH TYR A 35 8.796 0.997 5.841 1.00 0.00 H new ATOM 555 N LEU A 36 2.218 -3.353 2.160 1.00 0.00 N ATOM 556 CA LEU A 36 1.336 -4.431 1.714 1.00 0.00 C ATOM 557 C LEU A 36 0.752 -5.189 2.904 1.00 0.00 C ATOM 558 O LEU A 36 -0.439 -5.501 2.922 1.00 0.00 O ATOM 559 CB LEU A 36 2.088 -5.401 0.796 1.00 0.00 C ATOM 560 CG LEU A 36 2.315 -4.897 -0.631 1.00 0.00 C ATOM 561 CD1 LEU A 36 2.997 -5.962 -1.477 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.996 -4.472 -1.262 1.00 0.00 C ATOM 0 H LEU A 36 3.186 -3.445 1.853 1.00 0.00 H new ATOM 0 HA LEU A 36 0.517 -3.979 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.056 -5.625 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.533 -6.338 0.750 1.00 0.00 H new ATOM 0 HG LEU A 36 2.971 -4.028 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.148 -5.582 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.961 -6.215 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.371 -6.853 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.176 -4.116 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.316 -5.323 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.551 -3.672 -0.671 1.00 0.00 H new ATOM 574 N ASP A 37 1.595 -5.473 3.898 1.00 0.00 N ATOM 575 CA ASP A 37 1.159 -6.188 5.097 1.00 0.00 C ATOM 576 C ASP A 37 0.061 -5.414 5.829 1.00 0.00 C ATOM 577 O ASP A 37 -0.881 -6.012 6.350 1.00 0.00 O ATOM 578 CB ASP A 37 2.345 -6.428 6.039 1.00 0.00 C ATOM 579 CG ASP A 37 3.141 -7.666 5.668 1.00 0.00 C ATOM 580 OD1 ASP A 37 3.707 -7.699 4.554 1.00 0.00 O ATOM 581 OD2 ASP A 37 3.201 -8.601 6.493 1.00 0.00 O ATOM 0 H ASP A 37 2.583 -5.219 3.896 1.00 0.00 H new ATOM 0 HA ASP A 37 0.753 -7.150 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.002 -5.558 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.979 -6.528 7.061 1.00 0.00 H new ATOM 586 N ASP A 38 0.187 -4.085 5.858 1.00 0.00 N ATOM 587 CA ASP A 38 -0.800 -3.234 6.521 1.00 0.00 C ATOM 588 C ASP A 38 -2.184 -3.428 5.906 1.00 0.00 C ATOM 589 O ASP A 38 -3.139 -3.776 6.601 1.00 0.00 O ATOM 590 CB ASP A 38 -0.390 -1.761 6.426 1.00 0.00 C ATOM 591 CG ASP A 38 0.513 -1.329 7.566 1.00 0.00 C ATOM 592 OD1 ASP A 38 0.080 -1.418 8.735 1.00 0.00 O ATOM 593 OD2 ASP A 38 1.653 -0.902 7.289 1.00 0.00 O ATOM 0 H ASP A 38 0.962 -3.577 5.431 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.841 -3.523 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.121 -1.591 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.285 -1.139 6.421 1.00 0.00 H new ATOM 598 N MET A 39 -2.282 -3.206 4.594 1.00 0.00 N ATOM 599 CA MET A 39 -3.547 -3.364 3.878 1.00 0.00 C ATOM 600 C MET A 39 -4.053 -4.803 3.970 1.00 0.00 C ATOM 601 O MET A 39 -5.255 -5.039 4.096 1.00 0.00 O ATOM 602 CB MET A 39 -3.385 -2.961 2.411 1.00 0.00 C ATOM 603 CG MET A 39 -3.110 -1.480 2.214 1.00 0.00 C ATOM 604 SD MET A 39 -3.490 -0.917 0.544 1.00 0.00 S ATOM 605 CE MET A 39 -1.948 -1.274 -0.293 1.00 0.00 C ATOM 0 H MET A 39 -1.500 -2.916 4.007 1.00 0.00 H new ATOM 0 HA MET A 39 -4.281 -2.710 4.347 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.568 -3.535 1.973 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.291 -3.229 1.867 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.700 -0.907 2.929 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.061 -1.277 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.987 -0.884 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.125 -0.803 0.244 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.792 -2.352 -0.324 1.00 0.00 H new ATOM 615 N PHE A 40 -3.124 -5.760 3.912 1.00 0.00 N ATOM 616 CA PHE A 40 -3.467 -7.178 3.997 1.00 0.00 C ATOM 617 C PHE A 40 -4.205 -7.486 5.300 1.00 0.00 C ATOM 618 O PHE A 40 -5.146 -8.282 5.314 1.00 0.00 O ATOM 619 CB PHE A 40 -2.200 -8.032 3.891 1.00 0.00 C ATOM 620 CG PHE A 40 -2.458 -9.515 3.869 1.00 0.00 C ATOM 621 CD1 PHE A 40 -3.452 -10.054 3.065 1.00 0.00 C ATOM 622 CD2 PHE A 40 -1.702 -10.369 4.654 1.00 0.00 C ATOM 623 CE1 PHE A 40 -3.684 -11.416 3.046 1.00 0.00 C ATOM 624 CE2 PHE A 40 -1.929 -11.732 4.639 1.00 0.00 C ATOM 625 CZ PHE A 40 -2.922 -12.256 3.834 1.00 0.00 C ATOM 0 H PHE A 40 -2.126 -5.576 3.806 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.130 -7.420 3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.662 -7.754 2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.547 -7.800 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.051 -9.402 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.925 -9.965 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.461 -11.823 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.331 -12.387 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.102 -13.321 3.821 1.00 0.00 H new ATOM 635 N GLU A 41 -3.779 -6.847 6.391 1.00 0.00 N ATOM 636 CA GLU A 41 -4.408 -7.049 7.694 1.00 0.00 C ATOM 637 C GLU A 41 -5.873 -6.613 7.662 1.00 0.00 C ATOM 638 O GLU A 41 -6.751 -7.323 8.156 1.00 0.00 O ATOM 639 CB GLU A 41 -3.653 -6.273 8.778 1.00 0.00 C ATOM 640 CG GLU A 41 -3.643 -6.975 10.125 1.00 0.00 C ATOM 641 CD GLU A 41 -2.406 -7.827 10.327 1.00 0.00 C ATOM 642 OE1 GLU A 41 -1.346 -7.263 10.672 1.00 0.00 O ATOM 643 OE2 GLU A 41 -2.497 -9.058 10.140 1.00 0.00 O ATOM 0 H GLU A 41 -3.002 -6.186 6.397 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.368 -8.113 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.625 -6.114 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.107 -5.289 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.701 -6.231 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.530 -7.602 10.211 1.00 0.00 H new ATOM 650 N GLY A 42 -6.127 -5.447 7.070 1.00 0.00 N ATOM 651 CA GLY A 42 -7.484 -4.937 6.974 1.00 0.00 C ATOM 652 C GLY A 42 -7.537 -3.420 6.912 1.00 0.00 C ATOM 653 O GLY A 42 -8.311 -2.793 7.639 1.00 0.00 O ATOM 0 H GLY A 42 -5.415 -4.846 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.961 -5.350 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.059 -5.282 7.833 1.00 0.00 H new ATOM 657 N GLU A 43 -6.716 -2.829 6.041 1.00 0.00 N ATOM 658 CA GLU A 43 -6.672 -1.378 5.884 1.00 0.00 C ATOM 659 C GLU A 43 -7.483 -0.935 4.671 1.00 0.00 C ATOM 660 O GLU A 43 -7.565 -1.651 3.673 1.00 0.00 O ATOM 661 CB GLU A 43 -5.225 -0.902 5.739 1.00 0.00 C ATOM 662 CG GLU A 43 -4.940 0.410 6.453 1.00 0.00 C ATOM 663 CD GLU A 43 -4.458 0.210 7.877 1.00 0.00 C ATOM 664 OE1 GLU A 43 -3.440 -0.490 8.069 1.00 0.00 O ATOM 665 OE2 GLU A 43 -5.098 0.757 8.800 1.00 0.00 O ATOM 0 H GLU A 43 -6.072 -3.336 5.434 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.110 -0.931 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.558 -1.671 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.994 -0.787 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.188 0.967 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.845 1.018 6.462 1.00 0.00 H new ATOM 672 N LYS A 44 -8.076 0.253 4.767 1.00 0.00 N ATOM 673 CA LYS A 44 -8.881 0.807 3.679 1.00 0.00 C ATOM 674 C LYS A 44 -8.815 2.334 3.667 1.00 0.00 C ATOM 675 O LYS A 44 -8.591 2.944 2.619 1.00 0.00 O ATOM 676 CB LYS A 44 -10.338 0.350 3.805 1.00 0.00 C ATOM 677 CG LYS A 44 -10.642 -0.936 3.054 1.00 0.00 C ATOM 678 CD LYS A 44 -11.652 -1.793 3.800 1.00 0.00 C ATOM 679 CE LYS A 44 -11.403 -3.277 3.573 1.00 0.00 C ATOM 680 NZ LYS A 44 -12.675 -4.046 3.476 1.00 0.00 N ATOM 0 H LYS A 44 -8.014 0.853 5.590 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.471 0.437 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.576 0.209 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.991 1.140 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.028 -0.697 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.721 -1.500 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.599 -1.574 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.660 -1.538 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.826 -3.412 2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.801 -3.673 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.462 -5.052 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.214 -3.938 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.239 -3.685 2.680 1.00 0.00 H new ATOM 694 N VAL A 45 -9.009 2.944 4.838 1.00 0.00 N ATOM 695 CA VAL A 45 -8.971 4.397 4.964 1.00 0.00 C ATOM 696 C VAL A 45 -7.695 4.848 5.667 1.00 0.00 C ATOM 697 O VAL A 45 -7.566 4.716 6.887 1.00 0.00 O ATOM 698 CB VAL A 45 -10.193 4.934 5.743 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.221 6.456 5.713 1.00 0.00 C ATOM 700 CG2 VAL A 45 -11.488 4.363 5.183 1.00 0.00 C ATOM 0 H VAL A 45 -9.194 2.451 5.712 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.994 4.803 3.953 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.102 4.612 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.089 6.815 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.312 6.846 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.283 6.798 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.333 4.756 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.588 4.647 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.471 3.276 5.264 1.00 0.00 H new ATOM 710 N ALA A 46 -6.753 5.382 4.892 1.00 0.00 N ATOM 711 CA ALA A 46 -5.487 5.857 5.441 1.00 0.00 C ATOM 712 C ALA A 46 -5.560 7.344 5.783 1.00 0.00 C ATOM 713 O ALA A 46 -6.560 8.008 5.500 1.00 0.00 O ATOM 714 CB ALA A 46 -4.352 5.588 4.464 1.00 0.00 C ATOM 0 H ALA A 46 -6.844 5.496 3.882 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.290 5.310 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.414 5.948 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.279 4.517 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.549 6.107 3.526 1.00 0.00 H new ATOM 720 N VAL A 47 -4.495 7.861 6.395 1.00 0.00 N ATOM 721 CA VAL A 47 -4.438 9.269 6.777 1.00 0.00 C ATOM 722 C VAL A 47 -3.092 9.888 6.406 1.00 0.00 C ATOM 723 O VAL A 47 -2.037 9.403 6.821 1.00 0.00 O ATOM 724 CB VAL A 47 -4.695 9.454 8.292 1.00 0.00 C ATOM 725 CG1 VAL A 47 -3.637 8.734 9.120 1.00 0.00 C ATOM 726 CG2 VAL A 47 -4.749 10.933 8.653 1.00 0.00 C ATOM 0 H VAL A 47 -3.661 7.325 6.636 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.226 9.781 6.224 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.663 9.009 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.843 8.881 10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.658 7.669 8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.652 9.137 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.931 11.040 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.800 11.405 8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.555 11.414 8.098 1.00 0.00 H new ATOM 736 N CYS A 48 -3.139 10.962 5.620 1.00 0.00 N ATOM 737 CA CYS A 48 -1.927 11.653 5.192 1.00 0.00 C ATOM 738 C CYS A 48 -1.277 12.386 6.365 1.00 0.00 C ATOM 739 O CYS A 48 -1.963 13.046 7.147 1.00 0.00 O ATOM 740 CB CYS A 48 -2.252 12.649 4.074 1.00 0.00 C ATOM 741 SG CYS A 48 -0.819 13.597 3.465 1.00 0.00 S ATOM 0 H CYS A 48 -4.004 11.372 5.267 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.226 10.908 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.694 12.106 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.007 13.348 4.435 1.00 0.00 H new ATOM 746 N PRO A 49 0.060 12.284 6.502 1.00 0.00 N ATOM 747 CA PRO A 49 0.799 12.945 7.580 1.00 0.00 C ATOM 748 C PRO A 49 1.149 14.406 7.262 1.00 0.00 C ATOM 749 O PRO A 49 2.066 14.974 7.859 1.00 0.00 O ATOM 750 CB PRO A 49 2.064 12.099 7.682 1.00 0.00 C ATOM 751 CG PRO A 49 2.306 11.611 6.291 1.00 0.00 C ATOM 752 CD PRO A 49 0.958 11.514 5.618 1.00 0.00 C ATOM 0 HA PRO A 49 0.218 13.002 8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.906 12.687 8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.930 11.269 8.376 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.959 12.296 5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.802 10.640 6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.983 11.933 4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.633 10.478 5.524 1.00 0.00 H new ATOM 760 N SER A 50 0.414 15.008 6.322 1.00 0.00 N ATOM 761 CA SER A 50 0.644 16.395 5.929 1.00 0.00 C ATOM 762 C SER A 50 -0.659 17.190 5.974 1.00 0.00 C ATOM 763 O SER A 50 -0.745 18.215 6.652 1.00 0.00 O ATOM 764 CB SER A 50 1.249 16.462 4.523 1.00 0.00 C ATOM 765 OG SER A 50 2.200 17.510 4.427 1.00 0.00 O ATOM 0 H SER A 50 -0.347 14.552 5.819 1.00 0.00 H new ATOM 0 HA SER A 50 1.347 16.835 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.725 15.511 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.457 16.616 3.790 1.00 0.00 H new ATOM 0 HG SER A 50 2.573 17.531 3.521 1.00 0.00 H new ATOM 771 N CYS A 51 -1.673 16.708 5.249 1.00 0.00 N ATOM 772 CA CYS A 51 -2.975 17.377 5.210 1.00 0.00 C ATOM 773 C CYS A 51 -3.978 16.729 6.170 1.00 0.00 C ATOM 774 O CYS A 51 -4.993 17.342 6.509 1.00 0.00 O ATOM 775 CB CYS A 51 -3.536 17.377 3.786 1.00 0.00 C ATOM 776 SG CYS A 51 -4.089 15.745 3.190 1.00 0.00 S ATOM 0 H CYS A 51 -1.617 15.861 4.684 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.821 18.406 5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.376 18.070 3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.772 17.757 3.108 1.00 0.00 H new ATOM 781 N SER A 52 -3.692 15.495 6.605 1.00 0.00 N ATOM 782 CA SER A 52 -4.567 14.768 7.527 1.00 0.00 C ATOM 783 C SER A 52 -5.934 14.478 6.892 1.00 0.00 C ATOM 784 O SER A 52 -6.968 14.515 7.565 1.00 0.00 O ATOM 785 CB SER A 52 -4.722 15.556 8.842 1.00 0.00 C ATOM 786 OG SER A 52 -5.779 16.505 8.773 1.00 0.00 O ATOM 0 H SER A 52 -2.856 14.979 6.330 1.00 0.00 H new ATOM 0 HA SER A 52 -4.105 13.806 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.911 14.862 9.661 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.788 16.070 9.069 1.00 0.00 H new ATOM 0 HG SER A 52 -5.541 17.214 8.139 1.00 0.00 H new ATOM 792 N LEU A 53 -5.930 14.177 5.592 1.00 0.00 N ATOM 793 CA LEU A 53 -7.162 13.874 4.869 1.00 0.00 C ATOM 794 C LEU A 53 -7.308 12.365 4.669 1.00 0.00 C ATOM 795 O LEU A 53 -6.372 11.697 4.222 1.00 0.00 O ATOM 796 CB LEU A 53 -7.169 14.596 3.513 1.00 0.00 C ATOM 797 CG LEU A 53 -8.549 14.840 2.890 1.00 0.00 C ATOM 798 CD1 LEU A 53 -9.140 13.537 2.374 1.00 0.00 C ATOM 799 CD2 LEU A 53 -9.490 15.493 3.894 1.00 0.00 C ATOM 0 H LEU A 53 -5.086 14.137 5.020 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.008 14.226 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.671 15.558 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.573 14.014 2.810 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.425 15.521 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.119 13.730 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.480 13.113 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.245 12.833 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.462 15.656 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.607 14.842 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.075 16.449 4.213 1.00 0.00 H new ATOM 811 N MET A 54 -8.486 11.835 5.006 1.00 0.00 N ATOM 812 CA MET A 54 -8.757 10.403 4.864 1.00 0.00 C ATOM 813 C MET A 54 -9.195 10.072 3.440 1.00 0.00 C ATOM 814 O MET A 54 -10.021 10.777 2.857 1.00 0.00 O ATOM 815 CB MET A 54 -9.837 9.954 5.858 1.00 0.00 C ATOM 816 CG MET A 54 -9.322 9.746 7.276 1.00 0.00 C ATOM 817 SD MET A 54 -10.598 9.137 8.397 1.00 0.00 S ATOM 818 CE MET A 54 -11.769 10.492 8.348 1.00 0.00 C ATOM 0 H MET A 54 -9.267 12.375 5.379 1.00 0.00 H new ATOM 0 HA MET A 54 -7.833 9.866 5.080 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.632 10.699 5.876 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.280 9.024 5.503 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.493 9.039 7.257 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.929 10.688 7.657 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.449 10.416 9.196 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.232 11.439 8.398 1.00 0.00 H new ATOM 0 HE3 MET A 54 -12.339 10.447 7.420 1.00 0.00 H new ATOM 828 N ILE A 55 -8.637 8.997 2.885 1.00 0.00 N ATOM 829 CA ILE A 55 -8.969 8.573 1.525 1.00 0.00 C ATOM 830 C ILE A 55 -9.144 7.056 1.436 1.00 0.00 C ATOM 831 O ILE A 55 -8.327 6.295 1.960 1.00 0.00 O ATOM 832 CB ILE A 55 -7.889 9.009 0.507 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.507 8.481 0.916 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.865 10.526 0.362 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.124 7.189 0.223 1.00 0.00 C ATOM 0 H ILE A 55 -7.953 8.404 3.356 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.911 9.061 1.277 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.143 8.578 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.757 9.240 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.491 8.324 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.098 10.811 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.838 10.874 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.642 10.980 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.136 6.875 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.853 6.416 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.107 7.346 -0.856 1.00 0.00 H new ATOM 847 N ASP A 56 -10.211 6.627 0.761 1.00 0.00 N ATOM 848 CA ASP A 56 -10.496 5.203 0.590 1.00 0.00 C ATOM 849 C ASP A 56 -9.687 4.624 -0.570 1.00 0.00 C ATOM 850 O ASP A 56 -10.046 4.800 -1.736 1.00 0.00 O ATOM 851 CB ASP A 56 -11.991 4.980 0.336 1.00 0.00 C ATOM 852 CG ASP A 56 -12.870 5.665 1.364 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.876 5.225 2.532 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.557 6.637 0.999 1.00 0.00 O ATOM 0 H ASP A 56 -10.893 7.247 0.323 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.210 4.692 1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.245 5.350 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.200 3.910 0.341 1.00 0.00 H new ATOM 859 N VAL A 57 -8.594 3.932 -0.247 1.00 0.00 N ATOM 860 CA VAL A 57 -7.745 3.331 -1.271 1.00 0.00 C ATOM 861 C VAL A 57 -7.966 1.820 -1.355 1.00 0.00 C ATOM 862 O VAL A 57 -7.702 1.083 -0.402 1.00 0.00 O ATOM 863 CB VAL A 57 -6.248 3.631 -1.025 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.775 3.025 0.289 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.405 3.129 -2.189 1.00 0.00 C ATOM 0 H VAL A 57 -8.279 3.775 0.710 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.030 3.782 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.127 4.712 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.719 3.252 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.354 3.444 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.913 1.944 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.354 3.349 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.537 2.052 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.719 3.626 -3.107 1.00 0.00 H new ATOM 875 N VAL A 58 -8.454 1.367 -2.507 1.00 0.00 N ATOM 876 CA VAL A 58 -8.715 -0.052 -2.725 1.00 0.00 C ATOM 877 C VAL A 58 -7.467 -0.763 -3.246 1.00 0.00 C ATOM 878 O VAL A 58 -6.755 -0.240 -4.106 1.00 0.00 O ATOM 879 CB VAL A 58 -9.889 -0.268 -3.707 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.568 0.309 -5.080 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.240 -1.747 -3.809 1.00 0.00 C ATOM 0 H VAL A 58 -8.677 1.963 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.990 -0.480 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.757 0.263 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.411 0.143 -5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.381 1.379 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.682 -0.182 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.069 -1.877 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.374 -2.303 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.529 -2.121 -2.827 1.00 0.00 H new ATOM 891 N PHE A 59 -7.207 -1.953 -2.714 1.00 0.00 N ATOM 892 CA PHE A 59 -6.044 -2.740 -3.113 1.00 0.00 C ATOM 893 C PHE A 59 -6.459 -4.135 -3.583 1.00 0.00 C ATOM 894 O PHE A 59 -7.636 -4.496 -3.524 1.00 0.00 O ATOM 895 CB PHE A 59 -5.060 -2.845 -1.942 1.00 0.00 C ATOM 896 CG PHE A 59 -5.614 -3.583 -0.752 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.420 -2.933 0.170 1.00 0.00 C ATOM 898 CD2 PHE A 59 -5.331 -4.926 -0.560 1.00 0.00 C ATOM 899 CE1 PHE A 59 -6.931 -3.609 1.261 1.00 0.00 C ATOM 900 CE2 PHE A 59 -5.839 -5.606 0.529 1.00 0.00 C ATOM 901 CZ PHE A 59 -6.641 -4.947 1.441 1.00 0.00 C ATOM 0 H PHE A 59 -7.788 -2.396 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.557 -2.235 -3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.156 -3.349 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.768 -1.841 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.651 -1.887 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.706 -5.447 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.557 -3.091 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.610 -6.652 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.040 -5.477 2.293 1.00 0.00 H new ATOM 911 N ASP A 60 -5.482 -4.914 -4.051 1.00 0.00 N ATOM 912 CA ASP A 60 -5.740 -6.269 -4.535 1.00 0.00 C ATOM 913 C ASP A 60 -5.072 -7.310 -3.640 1.00 0.00 C ATOM 914 O ASP A 60 -4.090 -7.016 -2.956 1.00 0.00 O ATOM 915 CB ASP A 60 -5.233 -6.420 -5.971 1.00 0.00 C ATOM 916 CG ASP A 60 -6.161 -5.787 -6.993 1.00 0.00 C ATOM 917 OD1 ASP A 60 -6.664 -4.672 -6.735 1.00 0.00 O ATOM 918 OD2 ASP A 60 -6.381 -6.406 -8.055 1.00 0.00 O ATOM 0 H ASP A 60 -4.504 -4.628 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.817 -6.436 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.246 -5.965 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.116 -7.479 -6.200 1.00 0.00 H new ATOM 923 N LYS A 61 -5.610 -8.530 -3.657 1.00 0.00 N ATOM 924 CA LYS A 61 -5.066 -9.625 -2.853 1.00 0.00 C ATOM 925 C LYS A 61 -4.057 -10.439 -3.660 1.00 0.00 C ATOM 926 O LYS A 61 -2.982 -10.776 -3.159 1.00 0.00 O ATOM 927 CB LYS A 61 -6.192 -10.534 -2.350 1.00 0.00 C ATOM 928 CG LYS A 61 -7.206 -9.819 -1.471 1.00 0.00 C ATOM 929 CD LYS A 61 -7.842 -10.766 -0.466 1.00 0.00 C ATOM 930 CE LYS A 61 -8.907 -10.062 0.358 1.00 0.00 C ATOM 931 NZ LYS A 61 -9.706 -11.017 1.176 1.00 0.00 N ATOM 0 H LYS A 61 -6.422 -8.785 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.555 -9.191 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.708 -10.967 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.757 -11.361 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.717 -9.001 -0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.982 -9.376 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.285 -11.612 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.074 -11.168 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.433 -9.332 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.572 -9.510 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.420 -10.494 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.180 -11.699 0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.076 -11.526 1.829 1.00 0.00 H new ATOM 945 N GLU A 62 -4.406 -10.747 -4.914 1.00 0.00 N ATOM 946 CA GLU A 62 -3.521 -11.516 -5.791 1.00 0.00 C ATOM 947 C GLU A 62 -2.170 -10.816 -5.954 1.00 0.00 C ATOM 948 O GLU A 62 -1.132 -11.474 -6.033 1.00 0.00 O ATOM 949 CB GLU A 62 -4.169 -11.738 -7.163 1.00 0.00 C ATOM 950 CG GLU A 62 -4.451 -10.456 -7.936 1.00 0.00 C ATOM 951 CD GLU A 62 -5.147 -10.715 -9.260 1.00 0.00 C ATOM 952 OE1 GLU A 62 -4.540 -11.370 -10.134 1.00 0.00 O ATOM 953 OE2 GLU A 62 -6.299 -10.260 -9.424 1.00 0.00 O ATOM 0 H GLU A 62 -5.292 -10.476 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.354 -12.487 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.517 -12.374 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.105 -12.280 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.070 -9.797 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.513 -9.932 -8.119 1.00 0.00 H new ATOM 960 N ASP A 63 -2.194 -9.480 -5.994 1.00 0.00 N ATOM 961 CA ASP A 63 -0.972 -8.691 -6.136 1.00 0.00 C ATOM 962 C ASP A 63 0.025 -9.040 -5.036 1.00 0.00 C ATOM 963 O ASP A 63 1.173 -9.376 -5.315 1.00 0.00 O ATOM 964 CB ASP A 63 -1.289 -7.193 -6.084 1.00 0.00 C ATOM 965 CG ASP A 63 -1.563 -6.610 -7.456 1.00 0.00 C ATOM 966 OD1 ASP A 63 -2.730 -6.654 -7.895 1.00 0.00 O ATOM 967 OD2 ASP A 63 -0.610 -6.110 -8.090 1.00 0.00 O ATOM 0 H ASP A 63 -3.047 -8.925 -5.930 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.530 -8.928 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.156 -7.030 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.452 -6.663 -5.628 1.00 0.00 H new ATOM 972 N LEU A 64 -0.428 -8.966 -3.785 1.00 0.00 N ATOM 973 CA LEU A 64 0.422 -9.282 -2.638 1.00 0.00 C ATOM 974 C LEU A 64 1.018 -10.684 -2.761 1.00 0.00 C ATOM 975 O LEU A 64 2.180 -10.899 -2.422 1.00 0.00 O ATOM 976 CB LEU A 64 -0.374 -9.168 -1.338 1.00 0.00 C ATOM 977 CG LEU A 64 -0.385 -7.775 -0.706 1.00 0.00 C ATOM 978 CD1 LEU A 64 -1.552 -6.954 -1.235 1.00 0.00 C ATOM 979 CD2 LEU A 64 -0.449 -7.884 0.811 1.00 0.00 C ATOM 0 H LEU A 64 -1.379 -8.690 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 64 1.240 -8.562 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.403 -9.470 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.035 -9.875 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 64 0.539 -7.265 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.541 -5.967 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.463 -6.849 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.489 -7.457 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.456 -6.885 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.357 -8.413 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.421 -8.432 1.173 1.00 0.00 H new ATOM 991 N ALA A 65 0.216 -11.631 -3.250 1.00 0.00 N ATOM 992 CA ALA A 65 0.667 -13.009 -3.419 1.00 0.00 C ATOM 993 C ALA A 65 1.880 -13.083 -4.345 1.00 0.00 C ATOM 994 O ALA A 65 2.949 -13.535 -3.938 1.00 0.00 O ATOM 995 CB ALA A 65 -0.463 -13.878 -3.954 1.00 0.00 C ATOM 0 H ALA A 65 -0.749 -11.467 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 65 0.966 -13.386 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.109 -14.902 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.297 -13.862 -3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.793 -13.493 -4.919 1.00 0.00 H new ATOM 1001 N GLU A 66 1.707 -12.627 -5.586 1.00 0.00 N ATOM 1002 CA GLU A 66 2.793 -12.637 -6.567 1.00 0.00 C ATOM 1003 C GLU A 66 3.943 -11.729 -6.129 1.00 0.00 C ATOM 1004 O GLU A 66 5.113 -12.077 -6.290 1.00 0.00 O ATOM 1005 CB GLU A 66 2.276 -12.198 -7.941 1.00 0.00 C ATOM 1006 CG GLU A 66 1.737 -13.344 -8.785 1.00 0.00 C ATOM 1007 CD GLU A 66 0.476 -12.976 -9.546 1.00 0.00 C ATOM 1008 OE1 GLU A 66 0.485 -11.948 -10.258 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -0.521 -13.718 -9.433 1.00 0.00 O ATOM 0 H GLU A 66 0.827 -12.247 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 66 3.170 -13.657 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.488 -11.457 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.084 -11.707 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.504 -13.659 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.530 -14.197 -8.140 1.00 0.00 H new ATOM 1016 N TYR A 67 3.601 -10.564 -5.578 1.00 0.00 N ATOM 1017 CA TYR A 67 4.604 -9.605 -5.121 1.00 0.00 C ATOM 1018 C TYR A 67 5.448 -10.185 -3.988 1.00 0.00 C ATOM 1019 O TYR A 67 6.670 -10.229 -4.084 1.00 0.00 O ATOM 1020 CB TYR A 67 3.938 -8.306 -4.655 1.00 0.00 C ATOM 1021 CG TYR A 67 3.551 -7.365 -5.780 1.00 0.00 C ATOM 1022 CD1 TYR A 67 2.983 -7.841 -6.959 1.00 0.00 C ATOM 1023 CD2 TYR A 67 3.751 -5.995 -5.659 1.00 0.00 C ATOM 1024 CE1 TYR A 67 2.627 -6.980 -7.978 1.00 0.00 C ATOM 1025 CE2 TYR A 67 3.395 -5.130 -6.675 1.00 0.00 C ATOM 1026 CZ TYR A 67 2.835 -5.626 -7.831 1.00 0.00 C ATOM 1027 OH TYR A 67 2.480 -4.766 -8.842 1.00 0.00 O ATOM 0 H TYR A 67 2.637 -10.263 -5.438 1.00 0.00 H new ATOM 0 HA TYR A 67 5.259 -9.388 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.045 -8.555 -4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.616 -7.786 -3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.818 -8.902 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.192 -5.600 -4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.188 -7.366 -8.886 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.555 -4.068 -6.563 1.00 0.00 H new ATOM 0 HH TYR A 67 3.002 -3.940 -8.767 1.00 0.00 H new ATOM 1037 N TYR A 68 4.787 -10.632 -2.920 1.00 0.00 N ATOM 1038 CA TYR A 68 5.481 -11.211 -1.767 1.00 0.00 C ATOM 1039 C TYR A 68 6.256 -12.459 -2.170 1.00 0.00 C ATOM 1040 O TYR A 68 7.407 -12.638 -1.769 1.00 0.00 O ATOM 1041 CB TYR A 68 4.484 -11.553 -0.654 1.00 0.00 C ATOM 1042 CG TYR A 68 5.076 -11.513 0.740 1.00 0.00 C ATOM 1043 CD1 TYR A 68 5.926 -12.518 1.188 1.00 0.00 C ATOM 1044 CD2 TYR A 68 4.780 -10.470 1.611 1.00 0.00 C ATOM 1045 CE1 TYR A 68 6.464 -12.484 2.462 1.00 0.00 C ATOM 1046 CE2 TYR A 68 5.314 -10.429 2.885 1.00 0.00 C ATOM 1047 CZ TYR A 68 6.155 -11.438 3.305 1.00 0.00 C ATOM 1048 OH TYR A 68 6.689 -11.400 4.574 1.00 0.00 O ATOM 0 H TYR A 68 3.771 -10.605 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 68 6.187 -10.469 -1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.648 -10.855 -0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.079 -12.548 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.170 -13.339 0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.121 -9.678 1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.123 -13.273 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.074 -9.611 3.548 1.00 0.00 H new ATOM 0 HH TYR A 68 6.373 -10.597 5.038 1.00 0.00 H new ATOM 1058 N GLU A 69 5.620 -13.313 -2.971 1.00 0.00 N ATOM 1059 CA GLU A 69 6.252 -14.543 -3.440 1.00 0.00 C ATOM 1060 C GLU A 69 7.544 -14.239 -4.202 1.00 0.00 C ATOM 1061 O GLU A 69 8.478 -15.043 -4.195 1.00 0.00 O ATOM 1062 CB GLU A 69 5.288 -15.325 -4.336 1.00 0.00 C ATOM 1063 CG GLU A 69 5.724 -16.756 -4.599 1.00 0.00 C ATOM 1064 CD GLU A 69 4.567 -17.736 -4.561 1.00 0.00 C ATOM 1065 OE1 GLU A 69 3.840 -17.835 -5.572 1.00 0.00 O ATOM 1066 OE2 GLU A 69 4.389 -18.404 -3.522 1.00 0.00 O ATOM 0 H GLU A 69 4.667 -13.175 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 69 6.502 -15.149 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.302 -15.334 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.188 -14.804 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.209 -16.810 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.467 -17.048 -3.856 1.00 0.00 H new ATOM 1073 N GLU A 70 7.590 -13.074 -4.859 1.00 0.00 N ATOM 1074 CA GLU A 70 8.766 -12.670 -5.624 1.00 0.00 C ATOM 1075 C GLU A 70 9.191 -11.243 -5.269 1.00 0.00 C ATOM 1076 O GLU A 70 9.232 -10.362 -6.132 1.00 0.00 O ATOM 1077 CB GLU A 70 8.478 -12.777 -7.124 1.00 0.00 C ATOM 1078 CG GLU A 70 8.564 -14.197 -7.664 1.00 0.00 C ATOM 1079 CD GLU A 70 8.273 -14.285 -9.153 1.00 0.00 C ATOM 1080 OE1 GLU A 70 8.676 -13.365 -9.899 1.00 0.00 O ATOM 1081 OE2 GLU A 70 7.644 -15.278 -9.573 1.00 0.00 O ATOM 0 H GLU A 70 6.826 -12.399 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 70 9.586 -13.341 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.482 -12.382 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.184 -12.148 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.561 -14.594 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.859 -14.829 -7.124 1.00 0.00 H new ATOM 1088 N ALA A 71 9.508 -11.019 -3.992 1.00 0.00 N ATOM 1089 CA ALA A 71 9.930 -9.699 -3.531 1.00 0.00 C ATOM 1090 C ALA A 71 11.140 -9.789 -2.608 1.00 0.00 C ATOM 1091 O ALA A 71 11.218 -10.676 -1.754 1.00 0.00 O ATOM 1092 CB ALA A 71 8.782 -8.993 -2.824 1.00 0.00 C ATOM 0 H ALA A 71 9.480 -11.732 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 71 10.220 -9.119 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.112 -8.011 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.946 -8.878 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.465 -9.584 -1.965 1.00 0.00 H new ATOM 1098 N GLY A 72 12.076 -8.855 -2.779 1.00 0.00 N ATOM 1099 CA GLY A 72 13.271 -8.830 -1.952 1.00 0.00 C ATOM 1100 C GLY A 72 13.148 -7.859 -0.790 1.00 0.00 C ATOM 1101 O GLY A 72 14.050 -7.054 -0.548 1.00 0.00 O ATOM 0 H GLY A 72 12.026 -8.114 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.465 -9.831 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.129 -8.553 -2.565 1.00 0.00 H new ATOM 1105 N ILE A 73 12.026 -7.940 -0.071 1.00 0.00 N ATOM 1106 CA ILE A 73 11.774 -7.068 1.075 1.00 0.00 C ATOM 1107 C ILE A 73 12.701 -7.408 2.241 1.00 0.00 C ATOM 1108 O ILE A 73 13.487 -8.354 2.164 1.00 0.00 O ATOM 1109 CB ILE A 73 10.302 -7.161 1.543 1.00 0.00 C ATOM 1110 CG1 ILE A 73 9.945 -8.601 1.938 1.00 0.00 C ATOM 1111 CG2 ILE A 73 9.370 -6.664 0.449 1.00 0.00 C ATOM 1112 CD1 ILE A 73 8.539 -8.755 2.480 1.00 0.00 C ATOM 0 H ILE A 73 11.276 -8.604 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 73 11.974 -6.048 0.748 1.00 0.00 H new ATOM 0 HB ILE A 73 10.180 -6.528 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.062 -9.246 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.654 -8.948 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.337 -6.735 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.605 -5.626 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.499 -7.275 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.360 -9.799 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.423 -8.137 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.821 -8.440 1.723 1.00 0.00 H new ATOM 1124 N HIS A 74 12.605 -6.629 3.321 1.00 0.00 N ATOM 1125 CA HIS A 74 13.436 -6.848 4.504 1.00 0.00 C ATOM 1126 C HIS A 74 13.328 -8.293 4.997 1.00 0.00 C ATOM 1127 O HIS A 74 14.330 -9.008 5.048 1.00 0.00 O ATOM 1128 CB HIS A 74 13.048 -5.875 5.622 1.00 0.00 C ATOM 1129 CG HIS A 74 14.160 -4.961 6.030 1.00 0.00 C ATOM 1130 ND1 HIS A 74 14.921 -4.247 5.127 1.00 0.00 N ATOM 1131 CD2 HIS A 74 14.637 -4.641 7.256 1.00 0.00 C ATOM 1132 CE1 HIS A 74 15.819 -3.532 5.780 1.00 0.00 C ATOM 1133 NE2 HIS A 74 15.666 -3.752 7.073 1.00 0.00 N ATOM 0 H HIS A 74 11.961 -5.842 3.399 1.00 0.00 H new ATOM 0 HA HIS A 74 14.472 -6.663 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.198 -5.276 5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.719 -6.445 6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.275 -5.016 8.202 1.00 0.00 H new ATOM 0 HE1 HIS A 74 16.553 -2.879 5.333 1.00 0.00 H new ATOM 0 HE2 HIS A 74 16.223 -3.329 7.816 1.00 0.00 H new ATOM 1142 N PRO A 75 12.109 -8.750 5.362 1.00 0.00 N ATOM 1143 CA PRO A 75 11.895 -10.120 5.840 1.00 0.00 C ATOM 1144 C PRO A 75 11.968 -11.149 4.709 1.00 0.00 C ATOM 1145 O PRO A 75 11.094 -11.190 3.839 1.00 0.00 O ATOM 1146 CB PRO A 75 10.485 -10.073 6.430 1.00 0.00 C ATOM 1147 CG PRO A 75 9.794 -8.990 5.675 1.00 0.00 C ATOM 1148 CD PRO A 75 10.851 -7.973 5.335 1.00 0.00 C ATOM 0 HA PRO A 75 12.660 -10.427 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.973 -11.028 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.510 -9.857 7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.327 -9.382 4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.002 -8.542 6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.677 -7.527 4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.869 -7.157 6.058 1.00 0.00 H new ATOM 1156 N PRO A 76 13.018 -11.995 4.705 1.00 0.00 N ATOM 1157 CA PRO A 76 13.203 -13.026 3.673 1.00 0.00 C ATOM 1158 C PRO A 76 12.201 -14.174 3.806 1.00 0.00 C ATOM 1159 O PRO A 76 11.339 -14.160 4.688 1.00 0.00 O ATOM 1160 CB PRO A 76 14.628 -13.524 3.926 1.00 0.00 C ATOM 1161 CG PRO A 76 14.864 -13.269 5.374 1.00 0.00 C ATOM 1162 CD PRO A 76 14.107 -12.013 5.702 1.00 0.00 C ATOM 0 HA PRO A 76 13.045 -12.632 2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.725 -14.583 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.350 -12.991 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.514 -14.105 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.927 -13.149 5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.718 -12.033 6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.741 -11.130 5.620 1.00 0.00 H new ATOM 1170 N GLU A 77 12.322 -15.167 2.924 1.00 0.00 N ATOM 1171 CA GLU A 77 11.430 -16.322 2.941 1.00 0.00 C ATOM 1172 C GLU A 77 12.224 -17.631 2.965 1.00 0.00 C ATOM 1173 O GLU A 77 12.568 -18.178 1.915 1.00 0.00 O ATOM 1174 CB GLU A 77 10.503 -16.293 1.724 1.00 0.00 C ATOM 1175 CG GLU A 77 9.103 -16.810 2.015 1.00 0.00 C ATOM 1176 CD GLU A 77 8.275 -16.992 0.757 1.00 0.00 C ATOM 1177 OE1 GLU A 77 8.685 -17.788 -0.115 1.00 0.00 O ATOM 1178 OE2 GLU A 77 7.216 -16.340 0.646 1.00 0.00 O ATOM 0 H GLU A 77 13.030 -15.193 2.190 1.00 0.00 H new ATOM 0 HA GLU A 77 10.829 -16.271 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.434 -15.270 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.944 -16.891 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.173 -17.763 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.594 -16.115 2.683 1.00 0.00 H new ATOM 1185 N PRO A 78 12.527 -18.149 4.170 1.00 0.00 N ATOM 1186 CA PRO A 78 13.283 -19.398 4.328 1.00 0.00 C ATOM 1187 C PRO A 78 12.493 -20.621 3.861 1.00 0.00 C ATOM 1188 O PRO A 78 11.688 -21.176 4.613 1.00 0.00 O ATOM 1189 CB PRO A 78 13.546 -19.472 5.835 1.00 0.00 C ATOM 1190 CG PRO A 78 12.470 -18.648 6.455 1.00 0.00 C ATOM 1191 CD PRO A 78 12.160 -17.556 5.471 1.00 0.00 C ATOM 0 HA PRO A 78 14.191 -19.400 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.510 -20.501 6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.534 -19.083 6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.585 -19.252 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.798 -18.232 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.107 -17.276 5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.736 -16.654 5.678 1.00 0.00 H new ATOM 1199 N ILE A 79 12.724 -21.032 2.615 1.00 0.00 N ATOM 1200 CA ILE A 79 12.030 -22.184 2.047 1.00 0.00 C ATOM 1201 C ILE A 79 12.969 -23.027 1.181 1.00 0.00 C ATOM 1202 O ILE A 79 13.098 -22.794 -0.022 1.00 0.00 O ATOM 1203 CB ILE A 79 10.804 -21.750 1.211 1.00 0.00 C ATOM 1204 CG1 ILE A 79 11.180 -20.618 0.247 1.00 0.00 C ATOM 1205 CG2 ILE A 79 9.668 -21.314 2.128 1.00 0.00 C ATOM 1206 CD1 ILE A 79 10.524 -20.733 -1.112 1.00 0.00 C ATOM 0 H ILE A 79 13.386 -20.584 1.981 1.00 0.00 H new ATOM 0 HA ILE A 79 11.685 -22.790 2.885 1.00 0.00 H new ATOM 0 HB ILE A 79 10.468 -22.603 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.902 -19.664 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 79 12.262 -20.607 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.811 -21.011 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.383 -22.144 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.997 -20.474 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.837 -19.898 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.821 -21.671 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.440 -20.713 -0.996 1.00 0.00 H new ATOM 1218 N ALA A 80 13.621 -24.011 1.809 1.00 0.00 N ATOM 1219 CA ALA A 80 14.553 -24.904 1.116 1.00 0.00 C ATOM 1220 C ALA A 80 15.716 -24.127 0.492 1.00 0.00 C ATOM 1221 O ALA A 80 15.635 -23.679 -0.654 1.00 0.00 O ATOM 1222 CB ALA A 80 13.821 -25.721 0.057 1.00 0.00 C ATOM 0 H ALA A 80 13.518 -24.209 2.804 1.00 0.00 H new ATOM 0 HA ALA A 80 14.972 -25.587 1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.528 -26.379 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.044 -26.320 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.367 -25.049 -0.671 1.00 0.00 H new ATOM 1228 N ALA A 81 16.797 -23.972 1.258 1.00 0.00 N ATOM 1229 CA ALA A 81 17.978 -23.248 0.787 1.00 0.00 C ATOM 1230 C ALA A 81 19.130 -24.201 0.466 1.00 0.00 C ATOM 1231 O ALA A 81 19.132 -25.358 0.892 1.00 0.00 O ATOM 1232 CB ALA A 81 18.413 -22.222 1.826 1.00 0.00 C ATOM 0 H ALA A 81 16.879 -24.338 2.207 1.00 0.00 H new ATOM 0 HA ALA A 81 17.709 -22.732 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 81 19.293 -21.689 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.604 -21.512 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 81 18.654 -22.730 2.760 1.00 0.00 H new ATOM 1238 N ALA A 82 20.112 -23.700 -0.287 1.00 0.00 N ATOM 1239 CA ALA A 82 21.278 -24.493 -0.672 1.00 0.00 C ATOM 1240 C ALA A 82 22.535 -24.018 0.055 1.00 0.00 C ATOM 1241 O ALA A 82 22.614 -22.867 0.490 1.00 0.00 O ATOM 1242 CB ALA A 82 21.489 -24.428 -2.178 1.00 0.00 C ATOM 0 H ALA A 82 20.121 -22.744 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 82 21.089 -25.527 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.361 -25.023 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.609 -24.821 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.649 -23.393 -2.479 1.00 0.00 H new ATOM 1248 N ALA A 83 23.518 -24.911 0.175 1.00 0.00 N ATOM 1249 CA ALA A 83 24.777 -24.586 0.840 1.00 0.00 C ATOM 1250 C ALA A 83 25.859 -25.607 0.499 1.00 0.00 C ATOM 1251 O ALA A 83 25.634 -26.815 0.583 1.00 0.00 O ATOM 1252 CB ALA A 83 24.578 -24.510 2.348 1.00 0.00 C ATOM 0 H ALA A 83 23.465 -25.866 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 83 25.106 -23.611 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 83 25.526 -24.267 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 83 23.845 -23.737 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 83 24.220 -25.471 2.717 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -2.154 14.939 2.001 1.00 0.00 ZN