USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 41 LYS NZ :NH3+ 155:sc= 1.1 (180deg=0.184) USER MOD Set 1.2: A 78 TYR OH : rot 23:sc= 0.394 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.252 X(o=-0.24,f=-0.71) USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0.0131 USER MOD Set 3.1: A 2 GLN : amide:sc= -0.0385 K(o=-0.72,f=-2.1) USER MOD Set 3.2: A 84 HIS : no HD1:sc= -0.68 K(o=-0.72,f=-6.9!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -168:sc= 0 (180deg=-0.191) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 SER OG : rot 37:sc= 0.18 USER MOD Single : A 13 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.744 K(o=0.74,f=-0.25) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00322) USER MOD Single : A 20 SER OG : rot 30:sc= 0.0569 USER MOD Single : A 21 ASN : amide:sc= -0.894 K(o=-0.89,f=-5.3!) USER MOD Single : A 24 ASN : amide:sc= -0.328 K(o=-0.33,f=-0.96) USER MOD Single : A 26 TYR OH : rot 7:sc= 1.06 USER MOD Single : A 31 HIS : no HD1:sc= -0.836 X(o=-0.84,f=-1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.959 K(o=-0.96,f=-0.45) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -0.059 K(o=-0.059,f=-2.4) USER MOD Single : A 52 SER OG : rot 180:sc= 0.655 USER MOD Single : A 55 SER OG : rot -106:sc= 0.0831 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -0.0877 (180deg=-1.06) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0446 USER MOD Single : A 63 TYR OH : rot 130:sc= 0 USER MOD Single : A 66 TYR OH : rot 171:sc= -1.12 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 88:sc= -0.0523 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -46:sc= 0.611 USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.088) USER MOD Single : A 83 ASN : amide:sc= 0.116 K(o=0.12,f=-1.6) USER MOD Single : A 86 THR OG1 : rot -38:sc=-0.00383 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0306) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.23) USER MOD Single : A 99 MET CE :methyl -172:sc= 0 (180deg=-0.0722) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -7.876 -26.050 -1.983 1.00 0.00 N ATOM 2 CA MET A 0 -7.374 -25.121 -3.010 1.00 0.00 C ATOM 3 C MET A 0 -7.736 -23.679 -2.644 1.00 0.00 C ATOM 4 O MET A 0 -8.892 -23.283 -2.784 1.00 0.00 O ATOM 5 CB MET A 0 -7.905 -25.495 -4.403 1.00 0.00 C ATOM 6 CG MET A 0 -7.429 -26.880 -4.861 1.00 0.00 C ATOM 7 SD MET A 0 -7.952 -27.327 -6.536 1.00 0.00 S ATOM 8 CE MET A 0 -7.199 -28.968 -6.666 1.00 0.00 C ATOM 0 H1 MET A 0 -7.456 -26.990 -2.130 1.00 0.00 H new ATOM 0 H2 MET A 0 -7.615 -25.698 -1.040 1.00 0.00 H new ATOM 0 H3 MET A 0 -8.911 -26.118 -2.053 1.00 0.00 H new ATOM 0 HA MET A 0 -6.287 -25.201 -3.045 1.00 0.00 H new ATOM 0 HB2 MET A 0 -8.995 -25.475 -4.390 1.00 0.00 H new ATOM 0 HB3 MET A 0 -7.581 -24.746 -5.125 1.00 0.00 H new ATOM 0 HG2 MET A 0 -6.341 -26.913 -4.811 1.00 0.00 H new ATOM 0 HG3 MET A 0 -7.803 -27.630 -4.163 1.00 0.00 H new ATOM 0 HE1 MET A 0 -7.423 -29.394 -7.644 1.00 0.00 H new ATOM 0 HE2 MET A 0 -6.119 -28.883 -6.545 1.00 0.00 H new ATOM 0 HE3 MET A 0 -7.601 -29.616 -5.887 1.00 0.00 H new ATOM 20 N ILE A 1 -6.756 -22.914 -2.144 1.00 0.00 N ATOM 21 CA ILE A 1 -6.929 -21.542 -1.679 1.00 0.00 C ATOM 22 C ILE A 1 -5.560 -20.857 -1.617 1.00 0.00 C ATOM 23 O ILE A 1 -4.629 -21.389 -1.014 1.00 0.00 O ATOM 24 CB ILE A 1 -7.683 -21.505 -0.333 1.00 0.00 C ATOM 25 CG1 ILE A 1 -7.786 -20.091 0.267 1.00 0.00 C ATOM 26 CG2 ILE A 1 -7.052 -22.432 0.711 1.00 0.00 C ATOM 27 CD1 ILE A 1 -8.551 -19.115 -0.633 1.00 0.00 C ATOM 0 H ILE A 1 -5.796 -23.247 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.549 -20.986 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 1 -8.687 -21.854 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -8.282 -20.148 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -6.783 -19.703 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -7.618 -22.371 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -7.067 -23.458 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -6.021 -22.127 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.590 -18.135 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.043 -19.031 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.565 -19.483 -0.790 1.00 0.00 H new ATOM 39 N GLN A 2 -5.431 -19.684 -2.250 1.00 0.00 N ATOM 40 CA GLN A 2 -4.235 -18.869 -2.223 1.00 0.00 C ATOM 41 C GLN A 2 -4.236 -17.992 -0.967 1.00 0.00 C ATOM 42 O GLN A 2 -5.302 -17.636 -0.466 1.00 0.00 O ATOM 43 CB GLN A 2 -4.248 -18.006 -3.486 1.00 0.00 C ATOM 44 CG GLN A 2 -2.882 -17.367 -3.718 1.00 0.00 C ATOM 45 CD GLN A 2 -2.355 -17.643 -5.123 1.00 0.00 C ATOM 46 OE1 GLN A 2 -2.357 -16.767 -5.983 1.00 0.00 O ATOM 47 NE2 GLN A 2 -1.900 -18.876 -5.357 1.00 0.00 N ATOM 0 H GLN A 2 -6.182 -19.275 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.337 -19.486 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.520 -18.617 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.007 -17.229 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.954 -16.291 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.173 -17.749 -2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.916 -19.575 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.536 -19.119 -6.278 1.00 0.00 H new ATOM 56 N ARG A 3 -3.050 -17.626 -0.462 1.00 0.00 N ATOM 57 CA ARG A 3 -2.936 -16.763 0.705 1.00 0.00 C ATOM 58 C ARG A 3 -3.394 -15.342 0.371 1.00 0.00 C ATOM 59 O ARG A 3 -3.002 -14.772 -0.647 1.00 0.00 O ATOM 60 CB ARG A 3 -1.501 -16.766 1.246 1.00 0.00 C ATOM 61 CG ARG A 3 -1.280 -17.851 2.309 1.00 0.00 C ATOM 62 CD ARG A 3 -1.792 -17.351 3.667 1.00 0.00 C ATOM 63 NE ARG A 3 -1.548 -18.322 4.741 1.00 0.00 N ATOM 64 CZ ARG A 3 -1.922 -18.140 6.020 1.00 0.00 C ATOM 65 NH1 ARG A 3 -2.600 -17.042 6.385 1.00 0.00 N ATOM 66 NH2 ARG A 3 -1.615 -19.063 6.941 1.00 0.00 N ATOM 0 H ARG A 3 -2.155 -17.920 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.589 -17.154 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.805 -16.921 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.275 -15.790 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.803 -18.764 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.221 -18.098 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.303 -16.408 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.861 -17.148 3.599 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.065 -19.188 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.837 -16.334 5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.879 -16.915 7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.099 -19.901 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.897 -18.928 7.912 1.00 0.00 H new ATOM 80 N THR A 4 -4.230 -14.790 1.255 1.00 0.00 N ATOM 81 CA THR A 4 -4.845 -13.478 1.135 1.00 0.00 C ATOM 82 C THR A 4 -3.847 -12.395 1.576 1.00 0.00 C ATOM 83 O THR A 4 -3.165 -12.586 2.583 1.00 0.00 O ATOM 84 CB THR A 4 -6.093 -13.470 2.034 1.00 0.00 C ATOM 85 OG1 THR A 4 -6.912 -14.580 1.724 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.925 -12.190 1.909 1.00 0.00 C ATOM 0 H THR A 4 -4.505 -15.273 2.110 1.00 0.00 H new ATOM 0 HA THR A 4 -5.127 -13.270 0.103 1.00 0.00 H new ATOM 0 HB THR A 4 -5.732 -13.523 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.705 -14.572 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.789 -12.252 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.315 -11.331 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.263 -12.075 0.879 1.00 0.00 H new ATOM 94 N PRO A 5 -3.755 -11.255 0.869 1.00 0.00 N ATOM 95 CA PRO A 5 -2.909 -10.135 1.261 1.00 0.00 C ATOM 96 C PRO A 5 -3.459 -9.429 2.504 1.00 0.00 C ATOM 97 O PRO A 5 -4.532 -8.830 2.454 1.00 0.00 O ATOM 98 CB PRO A 5 -2.879 -9.201 0.043 1.00 0.00 C ATOM 99 CG PRO A 5 -4.201 -9.489 -0.664 1.00 0.00 C ATOM 100 CD PRO A 5 -4.415 -10.978 -0.398 1.00 0.00 C ATOM 0 HA PRO A 5 -1.906 -10.463 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.804 -8.155 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.026 -9.411 -0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.014 -8.886 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.143 -9.274 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.477 -11.217 -0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.991 -11.583 -1.200 1.00 0.00 H new ATOM 108 N LYS A 6 -2.703 -9.474 3.611 1.00 0.00 N ATOM 109 CA LYS A 6 -2.970 -8.687 4.803 1.00 0.00 C ATOM 110 C LYS A 6 -2.368 -7.298 4.589 1.00 0.00 C ATOM 111 O LYS A 6 -1.152 -7.168 4.459 1.00 0.00 O ATOM 112 CB LYS A 6 -2.365 -9.371 6.038 1.00 0.00 C ATOM 113 CG LYS A 6 -2.947 -8.744 7.312 1.00 0.00 C ATOM 114 CD LYS A 6 -2.117 -9.044 8.567 1.00 0.00 C ATOM 115 CE LYS A 6 -2.082 -10.538 8.908 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.362 -10.779 10.172 1.00 0.00 N ATOM 0 H LYS A 6 -1.879 -10.070 3.695 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.043 -8.600 4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.580 -10.439 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.280 -9.264 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.016 -7.664 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.962 -9.112 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.099 -8.685 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.530 -8.492 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.100 -10.920 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.598 -11.087 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.354 -11.798 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.384 -10.435 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.839 -10.273 10.945 1.00 0.00 H new ATOM 130 N ILE A 7 -3.225 -6.274 4.533 1.00 0.00 N ATOM 131 CA ILE A 7 -2.849 -4.886 4.300 1.00 0.00 C ATOM 132 C ILE A 7 -2.771 -4.185 5.659 1.00 0.00 C ATOM 133 O ILE A 7 -3.725 -4.276 6.431 1.00 0.00 O ATOM 134 CB ILE A 7 -3.912 -4.224 3.400 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.116 -4.989 2.078 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.513 -2.771 3.103 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.456 -4.649 1.416 1.00 0.00 C ATOM 0 H ILE A 7 -4.230 -6.398 4.653 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.883 -4.815 3.800 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.858 -4.248 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.303 -4.751 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.068 -6.061 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.268 -2.309 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.438 -2.216 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.550 -2.755 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.556 -5.211 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.272 -4.912 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.494 -3.581 1.199 1.00 0.00 H new ATOM 149 N GLN A 8 -1.669 -3.480 5.958 1.00 0.00 N ATOM 150 CA GLN A 8 -1.517 -2.727 7.184 1.00 0.00 C ATOM 151 C GLN A 8 -0.970 -1.339 6.839 1.00 0.00 C ATOM 152 O GLN A 8 0.238 -1.105 6.874 1.00 0.00 O ATOM 153 CB GLN A 8 -0.643 -3.514 8.168 1.00 0.00 C ATOM 154 CG GLN A 8 0.592 -4.207 7.576 1.00 0.00 C ATOM 155 CD GLN A 8 0.312 -5.546 6.898 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.672 -6.217 7.200 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.199 -5.951 5.989 1.00 0.00 N ATOM 0 H GLN A 8 -0.859 -3.425 5.341 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.473 -2.579 7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.311 -2.832 8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.264 -4.271 8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.054 -3.538 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.320 -4.364 8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.004 -5.365 5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.073 -6.846 5.517 1.00 0.00 H new ATOM 166 N VAL A 9 -1.880 -0.417 6.494 1.00 0.00 N ATOM 167 CA VAL A 9 -1.536 0.949 6.130 1.00 0.00 C ATOM 168 C VAL A 9 -1.129 1.729 7.378 1.00 0.00 C ATOM 169 O VAL A 9 -1.913 1.840 8.319 1.00 0.00 O ATOM 170 CB VAL A 9 -2.701 1.641 5.401 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.298 3.059 4.978 1.00 0.00 C ATOM 172 CG2 VAL A 9 -3.126 0.860 4.153 1.00 0.00 C ATOM 0 H VAL A 9 -2.881 -0.608 6.462 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.692 0.924 5.441 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.539 1.680 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.132 3.536 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.035 3.641 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.440 3.009 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.951 1.378 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.284 0.787 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.446 -0.141 4.442 1.00 0.00 H new ATOM 182 N TYR A 10 0.089 2.279 7.364 1.00 0.00 N ATOM 183 CA TYR A 10 0.639 3.075 8.449 1.00 0.00 C ATOM 184 C TYR A 10 0.783 4.536 8.029 1.00 0.00 C ATOM 185 O TYR A 10 0.972 4.840 6.850 1.00 0.00 O ATOM 186 CB TYR A 10 2.020 2.545 8.843 1.00 0.00 C ATOM 187 CG TYR A 10 2.142 1.042 8.984 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.301 0.339 9.865 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.181 0.367 8.315 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.543 -1.021 10.124 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.432 -0.987 8.587 1.00 0.00 C ATOM 192 CZ TYR A 10 2.640 -1.668 9.530 1.00 0.00 C ATOM 193 OH TYR A 10 2.944 -2.949 9.887 1.00 0.00 O ATOM 0 H TYR A 10 0.729 2.177 6.577 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.045 3.005 9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.741 2.879 8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.306 3.003 9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.472 0.842 10.341 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.786 0.892 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.885 -1.570 10.781 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.230 -1.504 8.075 1.00 0.00 H new ATOM 0 HH TYR A 10 2.125 -3.419 10.147 1.00 0.00 H new ATOM 203 N SER A 11 0.769 5.414 9.035 1.00 0.00 N ATOM 204 CA SER A 11 1.206 6.799 8.940 1.00 0.00 C ATOM 205 C SER A 11 2.558 6.896 9.650 1.00 0.00 C ATOM 206 O SER A 11 2.636 6.632 10.850 1.00 0.00 O ATOM 207 CB SER A 11 0.167 7.733 9.572 1.00 0.00 C ATOM 208 OG SER A 11 -0.238 7.277 10.844 1.00 0.00 O ATOM 0 H SER A 11 0.441 5.166 9.968 1.00 0.00 H new ATOM 0 HA SER A 11 1.310 7.107 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.585 8.736 9.661 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.702 7.807 8.918 1.00 0.00 H new ATOM 0 HG SER A 11 0.529 6.885 11.311 1.00 0.00 H new ATOM 214 N ARG A 12 3.628 7.239 8.920 1.00 0.00 N ATOM 215 CA ARG A 12 4.965 7.350 9.498 1.00 0.00 C ATOM 216 C ARG A 12 4.986 8.591 10.387 1.00 0.00 C ATOM 217 O ARG A 12 5.068 8.477 11.610 1.00 0.00 O ATOM 218 CB ARG A 12 6.024 7.382 8.383 1.00 0.00 C ATOM 219 CG ARG A 12 7.404 6.815 8.757 1.00 0.00 C ATOM 220 CD ARG A 12 8.310 7.745 9.575 1.00 0.00 C ATOM 221 NE ARG A 12 7.825 7.947 10.945 1.00 0.00 N ATOM 222 CZ ARG A 12 8.355 8.804 11.832 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.509 9.433 11.570 1.00 0.00 N ATOM 224 NH2 ARG A 12 7.717 9.031 12.987 1.00 0.00 N ATOM 0 H ARG A 12 3.588 7.445 7.922 1.00 0.00 H new ATOM 0 HA ARG A 12 5.208 6.484 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.642 6.824 7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.152 8.415 8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.256 5.894 9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.926 6.546 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.317 7.328 9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.381 8.710 9.073 1.00 0.00 H new ATOM 0 HE ARG A 12 7.023 7.393 11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.994 9.263 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.902 10.082 12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.837 8.555 13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.111 9.680 13.668 1.00 0.00 H new ATOM 238 N HIS A 13 4.864 9.766 9.763 1.00 0.00 N ATOM 239 CA HIS A 13 4.505 10.997 10.443 1.00 0.00 C ATOM 240 C HIS A 13 2.976 11.088 10.423 1.00 0.00 C ATOM 241 O HIS A 13 2.367 10.658 9.442 1.00 0.00 O ATOM 242 CB HIS A 13 5.135 12.189 9.725 1.00 0.00 C ATOM 243 CG HIS A 13 6.639 12.144 9.699 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.403 12.404 10.836 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.477 11.873 8.652 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.670 12.298 10.425 1.00 0.00 C ATOM 247 NE2 HIS A 13 8.769 11.966 9.127 1.00 0.00 N ATOM 0 H HIS A 13 5.015 9.882 8.761 1.00 0.00 H new ATOM 0 HA HIS A 13 4.870 11.006 11.470 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.762 12.226 8.701 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.815 13.109 10.214 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.182 11.631 7.642 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.523 12.462 11.067 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.628 11.813 8.598 1.00 0.00 H new ATOM 255 N PRO A 14 2.334 11.626 11.474 1.00 0.00 N ATOM 256 CA PRO A 14 0.885 11.619 11.625 1.00 0.00 C ATOM 257 C PRO A 14 0.268 12.809 10.879 1.00 0.00 C ATOM 258 O PRO A 14 -0.525 13.560 11.444 1.00 0.00 O ATOM 259 CB PRO A 14 0.677 11.689 13.141 1.00 0.00 C ATOM 260 CG PRO A 14 1.822 12.598 13.588 1.00 0.00 C ATOM 261 CD PRO A 14 2.965 12.203 12.650 1.00 0.00 C ATOM 0 HA PRO A 14 0.400 10.741 11.200 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.297 12.106 13.399 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.735 10.704 13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.563 13.652 13.487 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.083 12.433 14.633 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.569 13.070 12.383 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.632 11.485 13.127 1.00 0.00 H new ATOM 269 N ALA A 15 0.655 12.976 9.606 1.00 0.00 N ATOM 270 CA ALA A 15 0.294 14.078 8.723 1.00 0.00 C ATOM 271 C ALA A 15 0.792 15.446 9.212 1.00 0.00 C ATOM 272 O ALA A 15 1.016 15.661 10.402 1.00 0.00 O ATOM 273 CB ALA A 15 -1.213 14.082 8.449 1.00 0.00 C ATOM 0 H ALA A 15 1.265 12.301 9.144 1.00 0.00 H new ATOM 0 HA ALA A 15 0.815 13.904 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.460 14.913 7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.499 13.143 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.753 14.193 9.389 1.00 0.00 H new ATOM 279 N GLU A 16 0.956 16.384 8.272 1.00 0.00 N ATOM 280 CA GLU A 16 1.205 17.793 8.541 1.00 0.00 C ATOM 281 C GLU A 16 0.786 18.569 7.287 1.00 0.00 C ATOM 282 O GLU A 16 1.159 18.191 6.177 1.00 0.00 O ATOM 283 CB GLU A 16 2.678 18.022 8.927 1.00 0.00 C ATOM 284 CG GLU A 16 2.867 19.196 9.896 1.00 0.00 C ATOM 285 CD GLU A 16 2.346 20.519 9.351 1.00 0.00 C ATOM 286 OE1 GLU A 16 3.106 21.176 8.608 1.00 0.00 O ATOM 287 OE2 GLU A 16 1.189 20.847 9.691 1.00 0.00 O ATOM 0 H GLU A 16 0.917 16.171 7.275 1.00 0.00 H new ATOM 0 HA GLU A 16 0.625 18.147 9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.074 17.114 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.260 18.206 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.356 18.971 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.927 19.299 10.128 1.00 0.00 H new ATOM 294 N ASN A 17 -0.048 19.602 7.459 1.00 0.00 N ATOM 295 CA ASN A 17 -0.793 20.237 6.385 1.00 0.00 C ATOM 296 C ASN A 17 0.133 20.844 5.327 1.00 0.00 C ATOM 297 O ASN A 17 0.904 21.756 5.616 1.00 0.00 O ATOM 298 CB ASN A 17 -1.808 21.234 6.972 1.00 0.00 C ATOM 299 CG ASN A 17 -1.256 22.622 7.315 1.00 0.00 C ATOM 300 OD1 ASN A 17 -1.732 23.620 6.777 1.00 0.00 O ATOM 301 ND2 ASN A 17 -0.269 22.712 8.208 1.00 0.00 N ATOM 0 H ASN A 17 -0.222 20.023 8.372 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.364 19.479 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.625 21.354 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.235 20.800 7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.109 23.625 8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.107 21.868 8.639 1.00 0.00 H new ATOM 308 N GLY A 18 0.081 20.310 4.100 1.00 0.00 N ATOM 309 CA GLY A 18 0.894 20.773 2.989 1.00 0.00 C ATOM 310 C GLY A 18 2.399 20.740 3.280 1.00 0.00 C ATOM 311 O GLY A 18 3.141 21.523 2.690 1.00 0.00 O ATOM 0 H GLY A 18 -0.537 19.536 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.687 20.156 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.603 21.792 2.735 1.00 0.00 H new ATOM 315 N LYS A 19 2.851 19.842 4.169 1.00 0.00 N ATOM 316 CA LYS A 19 4.257 19.666 4.512 1.00 0.00 C ATOM 317 C LYS A 19 4.550 18.175 4.574 1.00 0.00 C ATOM 318 O LYS A 19 3.922 17.425 5.317 1.00 0.00 O ATOM 319 CB LYS A 19 4.569 20.341 5.842 1.00 0.00 C ATOM 320 CG LYS A 19 6.041 20.340 6.296 1.00 0.00 C ATOM 321 CD LYS A 19 6.508 18.992 6.871 1.00 0.00 C ATOM 322 CE LYS A 19 7.792 19.105 7.698 1.00 0.00 C ATOM 323 NZ LYS A 19 8.917 19.617 6.898 1.00 0.00 N ATOM 0 H LYS A 19 2.232 19.209 4.675 1.00 0.00 H new ATOM 0 HA LYS A 19 4.889 20.131 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.233 21.376 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.975 19.856 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.674 20.603 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.180 21.115 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.717 18.576 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.671 18.291 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.620 19.766 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.050 18.127 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.775 19.647 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.076 18.991 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.695 20.575 6.561 1.00 0.00 H new ATOM 337 N SER A 20 5.516 17.786 3.749 1.00 0.00 N ATOM 338 CA SER A 20 5.802 16.408 3.378 1.00 0.00 C ATOM 339 C SER A 20 5.980 15.478 4.579 1.00 0.00 C ATOM 340 O SER A 20 6.748 15.765 5.498 1.00 0.00 O ATOM 341 CB SER A 20 7.067 16.355 2.525 1.00 0.00 C ATOM 342 OG SER A 20 8.126 17.046 3.157 1.00 0.00 O ATOM 0 H SER A 20 6.147 18.452 3.303 1.00 0.00 H new ATOM 0 HA SER A 20 4.934 16.056 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.354 15.317 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.871 16.796 1.547 1.00 0.00 H new ATOM 0 HG SER A 20 8.018 16.992 4.129 1.00 0.00 H new ATOM 348 N ASN A 21 5.277 14.350 4.519 1.00 0.00 N ATOM 349 CA ASN A 21 5.193 13.327 5.554 1.00 0.00 C ATOM 350 C ASN A 21 5.731 12.003 4.994 1.00 0.00 C ATOM 351 O ASN A 21 6.641 12.025 4.168 1.00 0.00 O ATOM 352 CB ASN A 21 3.722 13.246 5.974 1.00 0.00 C ATOM 353 CG ASN A 21 3.204 14.560 6.542 1.00 0.00 C ATOM 354 OD1 ASN A 21 2.229 15.112 6.039 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.847 15.059 7.598 1.00 0.00 N ATOM 0 H ASN A 21 4.719 14.113 3.699 1.00 0.00 H new ATOM 0 HA ASN A 21 5.797 13.561 6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.117 12.963 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.603 12.460 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.533 15.933 8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.653 14.567 7.984 1.00 0.00 H new ATOM 362 N PHE A 22 5.181 10.851 5.414 1.00 0.00 N ATOM 363 CA PHE A 22 5.470 9.562 4.796 1.00 0.00 C ATOM 364 C PHE A 22 4.338 8.559 5.044 1.00 0.00 C ATOM 365 O PHE A 22 3.967 8.304 6.189 1.00 0.00 O ATOM 366 CB PHE A 22 6.831 9.012 5.250 1.00 0.00 C ATOM 367 CG PHE A 22 7.838 8.863 4.126 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.575 7.975 3.066 1.00 0.00 C ATOM 369 CD2 PHE A 22 9.038 9.598 4.139 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.487 7.855 2.004 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.978 9.428 3.108 1.00 0.00 C ATOM 372 CZ PHE A 22 9.700 8.563 2.037 1.00 0.00 C ATOM 0 H PHE A 22 4.524 10.796 6.192 1.00 0.00 H new ATOM 0 HA PHE A 22 5.532 9.719 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.245 9.675 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.681 8.041 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.671 7.385 3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.237 10.293 4.941 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.256 7.219 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.915 9.963 3.139 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.418 8.442 1.239 1.00 0.00 H new ATOM 382 N LEU A 23 3.790 8.020 3.949 1.00 0.00 N ATOM 383 CA LEU A 23 2.671 7.092 3.898 1.00 0.00 C ATOM 384 C LEU A 23 3.215 5.726 3.512 1.00 0.00 C ATOM 385 O LEU A 23 4.028 5.641 2.594 1.00 0.00 O ATOM 386 CB LEU A 23 1.680 7.588 2.840 1.00 0.00 C ATOM 387 CG LEU A 23 0.401 6.763 2.702 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.429 6.896 3.979 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.396 7.339 1.527 1.00 0.00 C ATOM 0 H LEU A 23 4.145 8.239 3.018 1.00 0.00 H new ATOM 0 HA LEU A 23 2.163 7.025 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.405 8.616 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.185 7.608 1.874 1.00 0.00 H new ATOM 0 HG LEU A 23 0.638 5.712 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.342 6.308 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.149 6.532 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.687 7.943 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.318 6.772 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.637 8.383 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.199 7.273 0.616 1.00 0.00 H new ATOM 401 N ASN A 24 2.798 4.676 4.229 1.00 0.00 N ATOM 402 CA ASN A 24 3.389 3.353 4.109 1.00 0.00 C ATOM 403 C ASN A 24 2.297 2.289 4.054 1.00 0.00 C ATOM 404 O ASN A 24 1.850 1.802 5.091 1.00 0.00 O ATOM 405 CB ASN A 24 4.327 3.093 5.291 1.00 0.00 C ATOM 406 CG ASN A 24 5.633 3.882 5.219 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.689 3.316 4.949 1.00 0.00 O ATOM 408 ND2 ASN A 24 5.574 5.190 5.477 1.00 0.00 N ATOM 0 H ASN A 24 2.039 4.728 4.908 1.00 0.00 H new ATOM 0 HA ASN A 24 3.965 3.305 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.810 3.345 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.557 2.028 5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.424 5.753 5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.679 5.626 5.698 1.00 0.00 H new ATOM 415 N CYS A 25 1.899 1.904 2.837 1.00 0.00 N ATOM 416 CA CYS A 25 0.907 0.861 2.615 1.00 0.00 C ATOM 417 C CYS A 25 1.619 -0.480 2.531 1.00 0.00 C ATOM 418 O CYS A 25 1.850 -0.999 1.441 1.00 0.00 O ATOM 419 CB CYS A 25 0.074 1.157 1.367 1.00 0.00 C ATOM 420 SG CYS A 25 -0.837 2.720 1.504 1.00 0.00 S ATOM 0 H CYS A 25 2.262 2.314 1.976 1.00 0.00 H new ATOM 0 HA CYS A 25 0.206 0.829 3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.729 1.195 0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.630 0.342 1.201 1.00 0.00 H new ATOM 425 N TYR A 26 1.976 -1.032 3.694 1.00 0.00 N ATOM 426 CA TYR A 26 2.659 -2.308 3.781 1.00 0.00 C ATOM 427 C TYR A 26 1.638 -3.417 3.541 1.00 0.00 C ATOM 428 O TYR A 26 0.550 -3.372 4.111 1.00 0.00 O ATOM 429 CB TYR A 26 3.317 -2.429 5.162 1.00 0.00 C ATOM 430 CG TYR A 26 4.056 -3.729 5.433 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.817 -4.354 4.428 1.00 0.00 C ATOM 432 CD2 TYR A 26 4.005 -4.305 6.714 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.440 -5.586 4.677 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.620 -5.543 6.964 1.00 0.00 C ATOM 435 CZ TYR A 26 5.345 -6.183 5.946 1.00 0.00 C ATOM 436 OH TYR A 26 5.954 -7.381 6.184 1.00 0.00 O ATOM 0 H TYR A 26 1.795 -0.598 4.599 1.00 0.00 H new ATOM 0 HA TYR A 26 3.443 -2.390 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.018 -1.603 5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.546 -2.306 5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.922 -3.884 3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.489 -3.792 7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.994 -6.077 3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.535 -6.002 7.938 1.00 0.00 H new ATOM 0 HH TYR A 26 6.496 -7.633 5.407 1.00 0.00 H new ATOM 446 N VAL A 27 1.985 -4.397 2.698 1.00 0.00 N ATOM 447 CA VAL A 27 1.147 -5.558 2.430 1.00 0.00 C ATOM 448 C VAL A 27 2.015 -6.785 2.651 1.00 0.00 C ATOM 449 O VAL A 27 3.163 -6.791 2.207 1.00 0.00 O ATOM 450 CB VAL A 27 0.612 -5.548 0.985 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.521 -6.570 0.836 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.067 -4.186 0.571 1.00 0.00 C ATOM 0 H VAL A 27 2.864 -4.401 2.181 1.00 0.00 H new ATOM 0 HA VAL A 27 0.280 -5.553 3.090 1.00 0.00 H new ATOM 0 HB VAL A 27 1.457 -5.797 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.892 -6.555 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.146 -7.566 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.332 -6.317 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.296 -4.236 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.752 -3.906 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.860 -3.441 0.639 1.00 0.00 H new ATOM 462 N SER A 28 1.480 -7.819 3.313 1.00 0.00 N ATOM 463 CA SER A 28 2.213 -9.055 3.524 1.00 0.00 C ATOM 464 C SER A 28 1.303 -10.268 3.703 1.00 0.00 C ATOM 465 O SER A 28 0.084 -10.133 3.777 1.00 0.00 O ATOM 466 CB SER A 28 3.188 -8.896 4.703 1.00 0.00 C ATOM 467 OG SER A 28 2.480 -8.676 5.906 1.00 0.00 O ATOM 0 H SER A 28 0.540 -7.815 3.709 1.00 0.00 H new ATOM 0 HA SER A 28 2.786 -9.251 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.804 -9.790 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.863 -8.061 4.514 1.00 0.00 H new ATOM 0 HG SER A 28 3.115 -8.579 6.646 1.00 0.00 H new ATOM 473 N GLY A 29 1.916 -11.459 3.755 1.00 0.00 N ATOM 474 CA GLY A 29 1.241 -12.727 4.003 1.00 0.00 C ATOM 475 C GLY A 29 0.918 -13.488 2.715 1.00 0.00 C ATOM 476 O GLY A 29 0.912 -14.718 2.715 1.00 0.00 O ATOM 0 H GLY A 29 2.922 -11.563 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.869 -13.350 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.317 -12.541 4.551 1.00 0.00 H new ATOM 480 N PHE A 30 0.626 -12.759 1.632 1.00 0.00 N ATOM 481 CA PHE A 30 0.173 -13.311 0.361 1.00 0.00 C ATOM 482 C PHE A 30 1.267 -14.127 -0.336 1.00 0.00 C ATOM 483 O PHE A 30 2.419 -14.106 0.084 1.00 0.00 O ATOM 484 CB PHE A 30 -0.339 -12.171 -0.530 1.00 0.00 C ATOM 485 CG PHE A 30 0.693 -11.113 -0.873 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.536 -11.312 -1.981 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.836 -9.947 -0.092 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.546 -10.390 -2.283 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.845 -9.021 -0.399 1.00 0.00 C ATOM 490 CZ PHE A 30 2.698 -9.247 -1.489 1.00 0.00 C ATOM 0 H PHE A 30 0.702 -11.742 1.620 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.643 -14.007 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.721 -12.598 -1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.179 -11.689 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.403 -12.184 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.171 -9.767 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.203 -10.560 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.965 -8.134 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.477 -8.535 -1.717 1.00 0.00 H new ATOM 500 N HIS A 31 0.895 -14.827 -1.415 1.00 0.00 N ATOM 501 CA HIS A 31 1.789 -15.475 -2.373 1.00 0.00 C ATOM 502 C HIS A 31 0.945 -15.713 -3.638 1.00 0.00 C ATOM 503 O HIS A 31 -0.261 -15.907 -3.499 1.00 0.00 O ATOM 504 CB HIS A 31 2.346 -16.784 -1.782 1.00 0.00 C ATOM 505 CG HIS A 31 1.489 -17.997 -2.038 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.633 -18.532 -1.075 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.368 -18.722 -3.190 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.030 -19.554 -1.690 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.428 -19.704 -2.964 1.00 0.00 N ATOM 0 H HIS A 31 -0.088 -14.961 -1.652 1.00 0.00 H new ATOM 0 HA HIS A 31 2.659 -14.863 -2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.339 -16.962 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.467 -16.660 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.910 -18.556 -4.109 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.700 -20.192 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.100 -20.404 -3.630 1.00 0.00 H new ATOM 517 N PRO A 32 1.509 -15.729 -4.858 1.00 0.00 N ATOM 518 CA PRO A 32 2.912 -15.566 -5.197 1.00 0.00 C ATOM 519 C PRO A 32 3.223 -14.074 -5.412 1.00 0.00 C ATOM 520 O PRO A 32 2.683 -13.224 -4.704 1.00 0.00 O ATOM 521 CB PRO A 32 3.061 -16.427 -6.460 1.00 0.00 C ATOM 522 CG PRO A 32 1.764 -16.117 -7.202 1.00 0.00 C ATOM 523 CD PRO A 32 0.756 -16.087 -6.053 1.00 0.00 C ATOM 0 HA PRO A 32 3.617 -15.879 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.941 -16.152 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.154 -17.487 -6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.811 -15.165 -7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.521 -16.881 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.033 -15.361 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.274 -17.057 -5.933 1.00 0.00 H new ATOM 531 N SER A 33 4.107 -13.757 -6.366 1.00 0.00 N ATOM 532 CA SER A 33 4.812 -12.489 -6.462 1.00 0.00 C ATOM 533 C SER A 33 4.127 -11.436 -7.342 1.00 0.00 C ATOM 534 O SER A 33 4.764 -10.438 -7.675 1.00 0.00 O ATOM 535 CB SER A 33 6.213 -12.807 -7.001 1.00 0.00 C ATOM 536 OG SER A 33 6.141 -13.285 -8.328 1.00 0.00 O ATOM 0 H SER A 33 4.354 -14.404 -7.115 1.00 0.00 H new ATOM 0 HA SER A 33 4.833 -12.036 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.834 -11.912 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.692 -13.553 -6.366 1.00 0.00 H new ATOM 0 HG SER A 33 7.044 -13.481 -8.655 1.00 0.00 H new ATOM 542 N ASP A 34 2.868 -11.654 -7.745 1.00 0.00 N ATOM 543 CA ASP A 34 2.202 -10.847 -8.762 1.00 0.00 C ATOM 544 C ASP A 34 1.128 -9.965 -8.124 1.00 0.00 C ATOM 545 O ASP A 34 -0.042 -10.342 -8.082 1.00 0.00 O ATOM 546 CB ASP A 34 1.645 -11.783 -9.845 1.00 0.00 C ATOM 547 CG ASP A 34 0.919 -11.048 -10.971 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.214 -9.850 -11.172 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.088 -11.711 -11.630 1.00 0.00 O ATOM 0 H ASP A 34 2.284 -12.401 -7.369 1.00 0.00 H new ATOM 0 HA ASP A 34 2.909 -10.167 -9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.465 -12.363 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.958 -12.492 -9.383 1.00 0.00 H new ATOM 554 N ILE A 35 1.541 -8.796 -7.615 1.00 0.00 N ATOM 555 CA ILE A 35 0.661 -7.818 -6.984 1.00 0.00 C ATOM 556 C ILE A 35 0.936 -6.404 -7.482 1.00 0.00 C ATOM 557 O ILE A 35 2.061 -6.068 -7.847 1.00 0.00 O ATOM 558 CB ILE A 35 0.751 -7.930 -5.452 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.228 -7.020 -4.694 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.155 -7.669 -4.928 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.300 -7.407 -3.213 1.00 0.00 C ATOM 0 H ILE A 35 2.518 -8.503 -7.634 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.366 -8.043 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 35 0.470 -8.965 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.088 -5.981 -4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.219 -7.093 -5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.161 -7.761 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.845 -8.396 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.467 -6.663 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.999 -6.748 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.640 -8.439 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.688 -7.310 -2.763 1.00 0.00 H new ATOM 573 N GLU A 36 -0.125 -5.594 -7.485 1.00 0.00 N ATOM 574 CA GLU A 36 -0.150 -4.230 -7.984 1.00 0.00 C ATOM 575 C GLU A 36 -0.574 -3.284 -6.865 1.00 0.00 C ATOM 576 O GLU A 36 -1.628 -3.493 -6.263 1.00 0.00 O ATOM 577 CB GLU A 36 -1.136 -4.110 -9.143 1.00 0.00 C ATOM 578 CG GLU A 36 -1.083 -5.307 -10.092 1.00 0.00 C ATOM 579 CD GLU A 36 -1.971 -5.070 -11.308 1.00 0.00 C ATOM 580 OE1 GLU A 36 -1.692 -4.099 -12.045 1.00 0.00 O ATOM 581 OE2 GLU A 36 -2.960 -5.821 -11.449 1.00 0.00 O ATOM 0 H GLU A 36 -1.030 -5.892 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 36 0.848 -3.966 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.146 -4.011 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.923 -3.199 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.056 -5.477 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.407 -6.207 -9.569 1.00 0.00 H new ATOM 588 N VAL A 37 0.239 -2.253 -6.597 1.00 0.00 N ATOM 589 CA VAL A 37 -0.005 -1.277 -5.542 1.00 0.00 C ATOM 590 C VAL A 37 0.345 0.120 -6.055 1.00 0.00 C ATOM 591 O VAL A 37 1.403 0.661 -5.738 1.00 0.00 O ATOM 592 CB VAL A 37 0.755 -1.684 -4.260 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.510 -0.760 -3.056 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.335 -3.098 -3.844 1.00 0.00 C ATOM 0 H VAL A 37 1.097 -2.077 -7.119 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.060 -1.254 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 37 1.812 -1.618 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.081 -1.119 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.826 0.253 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.552 -0.758 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.871 -3.385 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.738 -3.117 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.573 -3.798 -4.645 1.00 0.00 H new ATOM 604 N ASP A 38 -0.569 0.706 -6.840 1.00 0.00 N ATOM 605 CA ASP A 38 -0.510 2.103 -7.243 1.00 0.00 C ATOM 606 C ASP A 38 -1.014 2.957 -6.082 1.00 0.00 C ATOM 607 O ASP A 38 -2.165 2.817 -5.667 1.00 0.00 O ATOM 608 CB ASP A 38 -1.374 2.365 -8.488 1.00 0.00 C ATOM 609 CG ASP A 38 -0.979 1.485 -9.671 1.00 0.00 C ATOM 610 OD1 ASP A 38 -1.529 0.364 -9.761 1.00 0.00 O ATOM 611 OD2 ASP A 38 -0.139 1.953 -10.470 1.00 0.00 O ATOM 0 H ASP A 38 -1.378 0.210 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 38 0.520 2.357 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.421 2.189 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.285 3.413 -8.774 1.00 0.00 H new ATOM 616 N LEU A 39 -0.162 3.849 -5.569 1.00 0.00 N ATOM 617 CA LEU A 39 -0.568 4.849 -4.595 1.00 0.00 C ATOM 618 C LEU A 39 -1.224 6.002 -5.359 1.00 0.00 C ATOM 619 O LEU A 39 -0.768 6.358 -6.443 1.00 0.00 O ATOM 620 CB LEU A 39 0.618 5.270 -3.717 1.00 0.00 C ATOM 621 CG LEU A 39 1.139 4.094 -2.864 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.286 3.344 -3.549 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.649 4.584 -1.505 1.00 0.00 C ATOM 0 H LEU A 39 0.825 3.893 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.301 4.450 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.423 5.647 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.315 6.088 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 39 0.292 3.420 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.618 2.526 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.941 2.943 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.116 4.029 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.010 3.735 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.463 5.293 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.837 5.073 -0.966 1.00 0.00 H new ATOM 635 N LEU A 40 -2.356 6.500 -4.850 1.00 0.00 N ATOM 636 CA LEU A 40 -3.385 7.141 -5.660 1.00 0.00 C ATOM 637 C LEU A 40 -4.175 8.103 -4.767 1.00 0.00 C ATOM 638 O LEU A 40 -4.750 7.647 -3.784 1.00 0.00 O ATOM 639 CB LEU A 40 -4.281 6.009 -6.201 1.00 0.00 C ATOM 640 CG LEU A 40 -5.116 6.293 -7.458 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.049 7.496 -7.307 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.229 6.458 -8.692 1.00 0.00 C ATOM 0 H LEU A 40 -2.581 6.467 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.973 7.716 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.644 5.149 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.965 5.714 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.751 5.417 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.609 7.640 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.743 7.317 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.460 8.389 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.852 6.658 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.543 7.291 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.659 5.543 -8.855 1.00 0.00 H new ATOM 654 N LYS A 41 -4.214 9.413 -5.063 1.00 0.00 N ATOM 655 CA LYS A 41 -4.978 10.345 -4.231 1.00 0.00 C ATOM 656 C LYS A 41 -6.449 10.408 -4.668 1.00 0.00 C ATOM 657 O LYS A 41 -7.111 9.382 -4.808 1.00 0.00 O ATOM 658 CB LYS A 41 -4.302 11.722 -4.204 1.00 0.00 C ATOM 659 CG LYS A 41 -2.840 11.670 -3.781 1.00 0.00 C ATOM 660 CD LYS A 41 -1.964 12.279 -4.880 1.00 0.00 C ATOM 661 CE LYS A 41 -2.170 13.791 -5.045 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.930 14.548 -3.799 1.00 0.00 N ATOM 0 H LYS A 41 -3.735 9.840 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.984 9.974 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.370 12.171 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.847 12.373 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.702 12.216 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.542 10.638 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.916 12.084 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.181 11.783 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.501 14.160 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.188 13.978 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.666 15.526 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.796 14.551 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.159 14.100 -3.263 1.00 0.00 H new ATOM 676 N ASN A 42 -6.950 11.626 -4.894 1.00 0.00 N ATOM 677 CA ASN A 42 -8.245 11.930 -5.491 1.00 0.00 C ATOM 678 C ASN A 42 -8.368 11.344 -6.901 1.00 0.00 C ATOM 679 O ASN A 42 -9.406 10.782 -7.244 1.00 0.00 O ATOM 680 CB ASN A 42 -8.470 13.454 -5.487 1.00 0.00 C ATOM 681 CG ASN A 42 -7.196 14.263 -5.758 1.00 0.00 C ATOM 682 OD1 ASN A 42 -6.609 14.816 -4.830 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.727 14.303 -7.004 1.00 0.00 N ATOM 0 H ASN A 42 -6.431 12.470 -4.650 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.025 11.461 -4.892 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.217 13.705 -6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.880 13.750 -4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.860 14.801 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.234 13.835 -7.755 1.00 0.00 H new ATOM 690 N GLY A 43 -7.321 11.477 -7.719 1.00 0.00 N ATOM 691 CA GLY A 43 -7.315 10.998 -9.092 1.00 0.00 C ATOM 692 C GLY A 43 -5.977 11.303 -9.757 1.00 0.00 C ATOM 693 O GLY A 43 -5.939 11.773 -10.892 1.00 0.00 O ATOM 0 H GLY A 43 -6.449 11.925 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.500 9.924 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.122 11.470 -9.652 1.00 0.00 H new ATOM 697 N GLU A 44 -4.885 11.030 -9.035 1.00 0.00 N ATOM 698 CA GLU A 44 -3.520 11.202 -9.497 1.00 0.00 C ATOM 699 C GLU A 44 -2.689 10.062 -8.919 1.00 0.00 C ATOM 700 O GLU A 44 -2.650 9.901 -7.698 1.00 0.00 O ATOM 701 CB GLU A 44 -2.999 12.565 -9.029 1.00 0.00 C ATOM 702 CG GLU A 44 -1.544 12.797 -9.453 1.00 0.00 C ATOM 703 CD GLU A 44 -1.057 14.172 -9.006 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.648 15.166 -9.481 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.116 14.204 -8.184 1.00 0.00 O ATOM 0 H GLU A 44 -4.938 10.671 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.460 11.177 -10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.627 13.355 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.076 12.630 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.908 12.024 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.459 12.712 -10.536 1.00 0.00 H new ATOM 712 N ARG A 45 -2.040 9.279 -9.792 1.00 0.00 N ATOM 713 CA ARG A 45 -1.166 8.199 -9.366 1.00 0.00 C ATOM 714 C ARG A 45 0.227 8.732 -9.056 1.00 0.00 C ATOM 715 O ARG A 45 0.725 9.645 -9.714 1.00 0.00 O ATOM 716 CB ARG A 45 -1.135 7.043 -10.374 1.00 0.00 C ATOM 717 CG ARG A 45 -0.354 7.356 -11.654 1.00 0.00 C ATOM 718 CD ARG A 45 -0.219 6.085 -12.495 1.00 0.00 C ATOM 719 NE ARG A 45 0.711 6.292 -13.614 1.00 0.00 N ATOM 720 CZ ARG A 45 0.451 7.010 -14.719 1.00 0.00 C ATOM 721 NH1 ARG A 45 -0.764 7.537 -14.924 1.00 0.00 N ATOM 722 NH2 ARG A 45 1.424 7.207 -15.617 1.00 0.00 N ATOM 0 H ARG A 45 -2.111 9.382 -10.804 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.576 7.781 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.694 6.169 -9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.158 6.778 -10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.867 8.130 -12.225 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.633 7.746 -11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.136 5.266 -11.869 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.196 5.793 -12.879 1.00 0.00 H new ATOM 0 HE ARG A 45 1.630 5.854 -13.546 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.504 7.395 -14.237 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.949 8.080 -15.767 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.352 6.813 -15.459 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.238 7.751 -16.460 1.00 0.00 H new ATOM 736 N ILE A 46 0.840 8.141 -8.034 1.00 0.00 N ATOM 737 CA ILE A 46 2.109 8.506 -7.477 1.00 0.00 C ATOM 738 C ILE A 46 3.116 7.494 -8.014 1.00 0.00 C ATOM 739 O ILE A 46 3.217 6.383 -7.497 1.00 0.00 O ATOM 740 CB ILE A 46 1.922 8.440 -5.958 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.900 9.496 -5.488 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.264 8.653 -5.278 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.324 9.202 -4.101 1.00 0.00 C ATOM 0 H ILE A 46 0.424 7.344 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 46 2.469 9.502 -7.737 1.00 0.00 H new ATOM 0 HB ILE A 46 1.534 7.458 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.379 10.475 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.084 9.549 -6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.135 8.607 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.960 7.876 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.661 9.630 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.388 9.982 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.183 8.237 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.132 9.177 -3.369 1.00 0.00 H new ATOM 755 N GLU A 47 3.838 7.873 -9.073 1.00 0.00 N ATOM 756 CA GLU A 47 4.875 7.039 -9.669 1.00 0.00 C ATOM 757 C GLU A 47 6.178 7.130 -8.864 1.00 0.00 C ATOM 758 O GLU A 47 6.990 6.207 -8.912 1.00 0.00 O ATOM 759 CB GLU A 47 5.069 7.406 -11.146 1.00 0.00 C ATOM 760 CG GLU A 47 3.759 7.234 -11.931 1.00 0.00 C ATOM 761 CD GLU A 47 3.974 7.347 -13.435 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.465 8.412 -13.866 1.00 0.00 O ATOM 763 OE2 GLU A 47 3.617 6.373 -14.135 1.00 0.00 O ATOM 0 H GLU A 47 3.716 8.772 -9.540 1.00 0.00 H new ATOM 0 HA GLU A 47 4.558 5.997 -9.634 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.413 8.437 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.844 6.776 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.323 6.262 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.042 7.990 -11.610 1.00 0.00 H new ATOM 770 N LYS A 48 6.362 8.212 -8.092 1.00 0.00 N ATOM 771 CA LYS A 48 7.446 8.349 -7.130 1.00 0.00 C ATOM 772 C LYS A 48 7.078 7.527 -5.887 1.00 0.00 C ATOM 773 O LYS A 48 6.652 8.074 -4.872 1.00 0.00 O ATOM 774 CB LYS A 48 7.678 9.847 -6.845 1.00 0.00 C ATOM 775 CG LYS A 48 9.040 10.222 -6.230 1.00 0.00 C ATOM 776 CD LYS A 48 9.221 9.833 -4.755 1.00 0.00 C ATOM 777 CE LYS A 48 9.943 8.495 -4.550 1.00 0.00 C ATOM 778 NZ LYS A 48 11.402 8.622 -4.706 1.00 0.00 N ATOM 0 H LYS A 48 5.747 9.025 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 48 8.392 7.962 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.562 10.395 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.892 10.193 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.828 9.746 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.179 11.299 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.781 10.619 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.241 9.783 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.718 8.111 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.565 7.766 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.849 7.694 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.620 8.964 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.769 9.298 -4.005 1.00 0.00 H new ATOM 792 N VAL A 49 7.259 6.203 -5.976 1.00 0.00 N ATOM 793 CA VAL A 49 7.168 5.290 -4.843 1.00 0.00 C ATOM 794 C VAL A 49 8.595 4.908 -4.452 1.00 0.00 C ATOM 795 O VAL A 49 9.359 4.429 -5.289 1.00 0.00 O ATOM 796 CB VAL A 49 6.352 4.033 -5.196 1.00 0.00 C ATOM 797 CG1 VAL A 49 6.061 3.223 -3.923 1.00 0.00 C ATOM 798 CG2 VAL A 49 5.025 4.384 -5.877 1.00 0.00 C ATOM 0 H VAL A 49 7.476 5.734 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 49 6.653 5.776 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 49 6.949 3.444 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.483 2.335 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.001 2.923 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.492 3.836 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.481 3.468 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.426 5.003 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.223 4.932 -6.799 1.00 0.00 H new ATOM 808 N GLU A 50 8.946 5.106 -3.180 1.00 0.00 N ATOM 809 CA GLU A 50 10.226 4.726 -2.606 1.00 0.00 C ATOM 810 C GLU A 50 10.099 3.303 -2.060 1.00 0.00 C ATOM 811 O GLU A 50 10.273 3.076 -0.868 1.00 0.00 O ATOM 812 CB GLU A 50 10.587 5.744 -1.515 1.00 0.00 C ATOM 813 CG GLU A 50 12.076 5.746 -1.172 1.00 0.00 C ATOM 814 CD GLU A 50 12.396 6.883 -0.206 1.00 0.00 C ATOM 815 OE1 GLU A 50 12.366 8.043 -0.674 1.00 0.00 O ATOM 816 OE2 GLU A 50 12.643 6.578 0.980 1.00 0.00 O ATOM 0 H GLU A 50 8.323 5.550 -2.505 1.00 0.00 H new ATOM 0 HA GLU A 50 11.027 4.732 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.294 6.741 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.012 5.524 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.354 4.791 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.666 5.856 -2.082 1.00 0.00 H new ATOM 823 N HIS A 51 9.751 2.343 -2.924 1.00 0.00 N ATOM 824 CA HIS A 51 9.425 0.989 -2.491 1.00 0.00 C ATOM 825 C HIS A 51 10.679 0.224 -2.065 1.00 0.00 C ATOM 826 O HIS A 51 11.791 0.571 -2.464 1.00 0.00 O ATOM 827 CB HIS A 51 8.668 0.237 -3.596 1.00 0.00 C ATOM 828 CG HIS A 51 9.519 -0.144 -4.783 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.313 -1.290 -4.765 1.00 0.00 N ATOM 830 CD2 HIS A 51 9.664 0.474 -5.998 1.00 0.00 C ATOM 831 CE1 HIS A 51 10.925 -1.306 -5.952 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.571 -0.269 -6.727 1.00 0.00 N ATOM 0 H HIS A 51 9.689 2.485 -3.932 1.00 0.00 H new ATOM 0 HA HIS A 51 8.774 1.061 -1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.232 -0.667 -3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.841 0.858 -3.941 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.406 -1.969 -4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.163 1.373 -6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.627 -2.069 -6.255 1.00 0.00 H new ATOM 840 N SER A 52 10.481 -0.841 -1.281 1.00 0.00 N ATOM 841 CA SER A 52 11.506 -1.825 -0.985 1.00 0.00 C ATOM 842 C SER A 52 11.423 -2.962 -2.001 1.00 0.00 C ATOM 843 O SER A 52 10.332 -3.311 -2.453 1.00 0.00 O ATOM 844 CB SER A 52 11.313 -2.370 0.434 1.00 0.00 C ATOM 845 OG SER A 52 10.042 -2.974 0.567 1.00 0.00 O ATOM 0 H SER A 52 9.587 -1.039 -0.831 1.00 0.00 H new ATOM 0 HA SER A 52 12.488 -1.357 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.093 -3.098 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.414 -1.561 1.157 1.00 0.00 H new ATOM 0 HG SER A 52 9.937 -3.318 1.479 1.00 0.00 H new ATOM 851 N ASP A 53 12.571 -3.581 -2.300 1.00 0.00 N ATOM 852 CA ASP A 53 12.648 -4.806 -3.084 1.00 0.00 C ATOM 853 C ASP A 53 11.833 -5.916 -2.414 1.00 0.00 C ATOM 854 O ASP A 53 11.492 -5.819 -1.233 1.00 0.00 O ATOM 855 CB ASP A 53 14.115 -5.231 -3.228 1.00 0.00 C ATOM 856 CG ASP A 53 14.967 -4.134 -3.858 1.00 0.00 C ATOM 857 OD1 ASP A 53 15.394 -3.242 -3.093 1.00 0.00 O ATOM 858 OD2 ASP A 53 15.170 -4.204 -5.090 1.00 0.00 O ATOM 0 H ASP A 53 13.482 -3.235 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 53 12.231 -4.625 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.517 -5.484 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.173 -6.132 -3.839 1.00 0.00 H new ATOM 863 N LEU A 54 11.512 -6.971 -3.173 1.00 0.00 N ATOM 864 CA LEU A 54 10.673 -8.053 -2.681 1.00 0.00 C ATOM 865 C LEU A 54 11.361 -8.730 -1.494 1.00 0.00 C ATOM 866 O LEU A 54 12.499 -9.184 -1.612 1.00 0.00 O ATOM 867 CB LEU A 54 10.340 -9.029 -3.826 1.00 0.00 C ATOM 868 CG LEU A 54 9.292 -10.114 -3.498 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.736 -11.067 -2.387 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.911 -9.519 -3.193 1.00 0.00 C ATOM 0 H LEU A 54 11.827 -7.092 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 54 9.721 -7.663 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.983 -8.451 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.261 -9.522 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 54 9.204 -10.710 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.954 -11.804 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.652 -11.576 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.919 -10.501 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.210 -10.323 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.984 -8.851 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.557 -8.960 -4.059 1.00 0.00 H new ATOM 882 N SER A 55 10.658 -8.789 -0.358 1.00 0.00 N ATOM 883 CA SER A 55 11.123 -9.390 0.880 1.00 0.00 C ATOM 884 C SER A 55 10.156 -10.500 1.287 1.00 0.00 C ATOM 885 O SER A 55 9.228 -10.254 2.048 1.00 0.00 O ATOM 886 CB SER A 55 11.207 -8.302 1.959 1.00 0.00 C ATOM 887 OG SER A 55 11.774 -8.825 3.142 1.00 0.00 O ATOM 0 H SER A 55 9.717 -8.404 -0.281 1.00 0.00 H new ATOM 0 HA SER A 55 12.113 -9.826 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.809 -7.468 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.212 -7.910 2.168 1.00 0.00 H new ATOM 0 HG SER A 55 11.072 -8.947 3.815 1.00 0.00 H new ATOM 893 N PHE A 56 10.362 -11.729 0.805 1.00 0.00 N ATOM 894 CA PHE A 56 9.606 -12.863 1.316 1.00 0.00 C ATOM 895 C PHE A 56 10.318 -13.371 2.569 1.00 0.00 C ATOM 896 O PHE A 56 11.520 -13.634 2.519 1.00 0.00 O ATOM 897 CB PHE A 56 9.426 -13.946 0.245 1.00 0.00 C ATOM 898 CG PHE A 56 10.637 -14.786 -0.092 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.538 -14.363 -1.083 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.830 -16.021 0.557 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.661 -15.151 -1.390 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.954 -16.807 0.251 1.00 0.00 C ATOM 903 CZ PHE A 56 12.867 -16.374 -0.727 1.00 0.00 C ATOM 0 H PHE A 56 11.036 -11.957 0.074 1.00 0.00 H new ATOM 0 HA PHE A 56 8.594 -12.560 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.630 -14.615 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.083 -13.464 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.368 -13.435 -1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.114 -16.364 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.367 -14.817 -2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.116 -17.742 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.727 -16.981 -0.969 1.00 0.00 H new ATOM 913 N SER A 57 9.602 -13.509 3.692 1.00 0.00 N ATOM 914 CA SER A 57 10.173 -14.204 4.836 1.00 0.00 C ATOM 915 C SER A 57 10.252 -15.686 4.471 1.00 0.00 C ATOM 916 O SER A 57 9.295 -16.234 3.923 1.00 0.00 O ATOM 917 CB SER A 57 9.358 -13.984 6.115 1.00 0.00 C ATOM 918 OG SER A 57 9.971 -14.630 7.212 1.00 0.00 O ATOM 0 H SER A 57 8.654 -13.157 3.826 1.00 0.00 H new ATOM 0 HA SER A 57 11.165 -13.808 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.270 -12.917 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.347 -14.367 5.979 1.00 0.00 H new ATOM 0 HG SER A 57 9.439 -14.478 8.021 1.00 0.00 H new ATOM 924 N LYS A 58 11.386 -16.326 4.782 1.00 0.00 N ATOM 925 CA LYS A 58 11.610 -17.751 4.556 1.00 0.00 C ATOM 926 C LYS A 58 10.498 -18.606 5.153 1.00 0.00 C ATOM 927 O LYS A 58 10.215 -19.688 4.638 1.00 0.00 O ATOM 928 CB LYS A 58 12.966 -18.170 5.135 1.00 0.00 C ATOM 929 CG LYS A 58 14.139 -17.566 4.353 1.00 0.00 C ATOM 930 CD LYS A 58 15.487 -17.728 5.073 1.00 0.00 C ATOM 931 CE LYS A 58 15.902 -19.184 5.338 1.00 0.00 C ATOM 932 NZ LYS A 58 15.297 -19.735 6.566 1.00 0.00 N ATOM 0 H LYS A 58 12.186 -15.855 5.205 1.00 0.00 H new ATOM 0 HA LYS A 58 11.608 -17.916 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.027 -17.857 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.044 -19.257 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.197 -18.040 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.949 -16.506 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.262 -17.246 4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.441 -17.198 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.612 -19.801 4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.988 -19.239 5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.003 -20.303 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.974 -18.955 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.486 -20.336 6.314 1.00 0.00 H new ATOM 946 N ASP A 59 9.865 -18.115 6.222 1.00 0.00 N ATOM 947 CA ASP A 59 8.792 -18.799 6.913 1.00 0.00 C ATOM 948 C ASP A 59 7.459 -18.649 6.169 1.00 0.00 C ATOM 949 O ASP A 59 6.472 -18.190 6.742 1.00 0.00 O ATOM 950 CB ASP A 59 8.709 -18.260 8.347 1.00 0.00 C ATOM 951 CG ASP A 59 10.032 -18.438 9.087 1.00 0.00 C ATOM 952 OD1 ASP A 59 10.871 -17.516 8.976 1.00 0.00 O ATOM 953 OD2 ASP A 59 10.189 -19.499 9.729 1.00 0.00 O ATOM 0 H ASP A 59 10.097 -17.210 6.633 1.00 0.00 H new ATOM 0 HA ASP A 59 9.003 -19.868 6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.442 -17.203 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.916 -18.778 8.887 1.00 0.00 H new ATOM 958 N TRP A 60 7.436 -19.072 4.899 1.00 0.00 N ATOM 959 CA TRP A 60 6.251 -19.218 4.065 1.00 0.00 C ATOM 960 C TRP A 60 5.385 -17.958 4.062 1.00 0.00 C ATOM 961 O TRP A 60 4.253 -17.963 4.543 1.00 0.00 O ATOM 962 CB TRP A 60 5.493 -20.487 4.469 1.00 0.00 C ATOM 963 CG TRP A 60 6.352 -21.712 4.435 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.073 -22.179 5.477 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.702 -22.557 3.300 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.842 -23.251 5.078 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.658 -23.521 3.737 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.326 -22.597 1.939 1.00 0.00 C ATOM 969 CZ2 TRP A 60 8.213 -24.474 2.869 1.00 0.00 C ATOM 970 CZ3 TRP A 60 6.871 -23.555 1.062 1.00 0.00 C ATOM 971 CH2 TRP A 60 7.813 -24.491 1.524 1.00 0.00 C ATOM 0 H TRP A 60 8.290 -19.333 4.406 1.00 0.00 H new ATOM 0 HA TRP A 60 6.559 -19.338 3.026 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.090 -20.359 5.474 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.644 -20.626 3.800 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.050 -21.772 6.477 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.465 -23.775 5.692 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.609 -21.881 1.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.939 -25.186 3.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.563 -23.571 0.027 1.00 0.00 H new ATOM 0 HH2 TRP A 60 8.228 -25.221 0.845 1.00 0.00 H new ATOM 982 N SER A 61 5.937 -16.880 3.497 1.00 0.00 N ATOM 983 CA SER A 61 5.265 -15.604 3.309 1.00 0.00 C ATOM 984 C SER A 61 5.787 -14.977 2.012 1.00 0.00 C ATOM 985 O SER A 61 6.574 -15.601 1.303 1.00 0.00 O ATOM 986 CB SER A 61 5.520 -14.722 4.538 1.00 0.00 C ATOM 987 OG SER A 61 4.709 -13.564 4.501 1.00 0.00 O ATOM 0 H SER A 61 6.896 -16.878 3.149 1.00 0.00 H new ATOM 0 HA SER A 61 4.186 -15.723 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.313 -15.288 5.447 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.571 -14.435 4.574 1.00 0.00 H new ATOM 0 HG SER A 61 4.885 -13.016 5.294 1.00 0.00 H new ATOM 993 N PHE A 62 5.347 -13.754 1.696 1.00 0.00 N ATOM 994 CA PHE A 62 5.749 -13.005 0.511 1.00 0.00 C ATOM 995 C PHE A 62 5.243 -11.578 0.711 1.00 0.00 C ATOM 996 O PHE A 62 4.053 -11.408 0.980 1.00 0.00 O ATOM 997 CB PHE A 62 5.150 -13.632 -0.759 1.00 0.00 C ATOM 998 CG PHE A 62 6.116 -13.720 -1.914 1.00 0.00 C ATOM 999 CD1 PHE A 62 7.003 -14.807 -2.004 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.156 -12.704 -2.880 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.929 -14.881 -3.052 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.101 -12.766 -3.912 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.980 -13.859 -4.012 1.00 0.00 C ATOM 0 H PHE A 62 4.681 -13.247 2.279 1.00 0.00 H new ATOM 0 HA PHE A 62 6.831 -13.019 0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.790 -14.633 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.284 -13.047 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.970 -15.590 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.462 -11.878 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.602 -15.723 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.155 -11.967 -4.637 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.691 -13.912 -4.824 1.00 0.00 H new ATOM 1013 N TYR A 63 6.117 -10.562 0.640 1.00 0.00 N ATOM 1014 CA TYR A 63 5.681 -9.202 0.941 1.00 0.00 C ATOM 1015 C TYR A 63 6.697 -8.169 0.469 1.00 0.00 C ATOM 1016 O TYR A 63 7.794 -8.512 0.033 1.00 0.00 O ATOM 1017 CB TYR A 63 5.503 -9.021 2.445 1.00 0.00 C ATOM 1018 CG TYR A 63 6.655 -9.422 3.316 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.610 -8.453 3.662 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.681 -10.690 3.911 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.600 -8.750 4.607 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.651 -10.979 4.877 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.618 -10.015 5.224 1.00 0.00 C ATOM 1024 OH TYR A 63 9.567 -10.305 6.159 1.00 0.00 O ATOM 0 H TYR A 63 7.100 -10.656 0.384 1.00 0.00 H new ATOM 0 HA TYR A 63 4.737 -9.052 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.282 -7.971 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.628 -9.593 2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.581 -7.478 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.957 -11.439 3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.346 -8.012 4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.658 -11.946 5.359 1.00 0.00 H new ATOM 0 HH TYR A 63 9.137 -10.675 6.958 1.00 0.00 H new ATOM 1034 N LEU A 64 6.315 -6.894 0.607 1.00 0.00 N ATOM 1035 CA LEU A 64 7.087 -5.731 0.189 1.00 0.00 C ATOM 1036 C LEU A 64 6.400 -4.475 0.736 1.00 0.00 C ATOM 1037 O LEU A 64 5.198 -4.494 0.994 1.00 0.00 O ATOM 1038 CB LEU A 64 7.307 -5.697 -1.344 1.00 0.00 C ATOM 1039 CG LEU A 64 6.055 -5.532 -2.229 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.352 -5.660 -3.731 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.980 -6.580 -1.956 1.00 0.00 C ATOM 0 H LEU A 64 5.423 -6.640 1.031 1.00 0.00 H new ATOM 0 HA LEU A 64 8.093 -5.783 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.991 -4.879 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.808 -6.621 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 64 5.711 -4.530 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.429 -5.534 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.067 -4.892 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.771 -6.645 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.127 -6.406 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.385 -7.574 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.659 -6.509 -0.917 1.00 0.00 H new ATOM 1053 N LEU A 65 7.176 -3.409 0.963 1.00 0.00 N ATOM 1054 CA LEU A 65 6.742 -2.136 1.517 1.00 0.00 C ATOM 1055 C LEU A 65 6.732 -1.122 0.368 1.00 0.00 C ATOM 1056 O LEU A 65 7.647 -1.135 -0.454 1.00 0.00 O ATOM 1057 CB LEU A 65 7.738 -1.754 2.628 1.00 0.00 C ATOM 1058 CG LEU A 65 7.076 -1.237 3.910 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.146 -1.100 4.996 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.410 0.121 3.707 1.00 0.00 C ATOM 0 H LEU A 65 8.174 -3.419 0.752 1.00 0.00 H new ATOM 0 HA LEU A 65 5.743 -2.173 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.346 -2.625 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.415 -0.989 2.247 1.00 0.00 H new ATOM 0 HG LEU A 65 6.304 -1.950 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.688 -0.733 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.602 -2.072 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.911 -0.397 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.955 0.446 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.158 0.850 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.641 0.038 2.939 1.00 0.00 H new ATOM 1072 N TYR A 66 5.692 -0.278 0.277 1.00 0.00 N ATOM 1073 CA TYR A 66 5.438 0.557 -0.892 1.00 0.00 C ATOM 1074 C TYR A 66 5.034 1.959 -0.434 1.00 0.00 C ATOM 1075 O TYR A 66 3.867 2.198 -0.125 1.00 0.00 O ATOM 1076 CB TYR A 66 4.344 -0.070 -1.786 1.00 0.00 C ATOM 1077 CG TYR A 66 4.277 -1.588 -1.909 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.793 -2.343 -0.819 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.290 -2.182 -3.188 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.210 -3.599 -1.022 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.670 -3.428 -3.395 1.00 0.00 C ATOM 1082 CZ TYR A 66 3.058 -4.094 -2.323 1.00 0.00 C ATOM 1083 OH TYR A 66 2.313 -5.213 -2.539 1.00 0.00 O ATOM 0 H TYR A 66 5.004 -0.160 1.021 1.00 0.00 H new ATOM 0 HA TYR A 66 6.348 0.627 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.378 0.274 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.464 0.337 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.873 -1.947 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.777 -1.679 -4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.878 -4.185 -0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.665 -3.872 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 66 2.193 -5.345 -3.503 1.00 0.00 H new ATOM 1093 N TYR A 67 6.020 2.859 -0.322 1.00 0.00 N ATOM 1094 CA TYR A 67 5.879 4.046 0.506 1.00 0.00 C ATOM 1095 C TYR A 67 6.310 5.315 -0.197 1.00 0.00 C ATOM 1096 O TYR A 67 7.259 5.321 -0.973 1.00 0.00 O ATOM 1097 CB TYR A 67 6.638 3.882 1.820 1.00 0.00 C ATOM 1098 CG TYR A 67 8.067 3.373 1.743 1.00 0.00 C ATOM 1099 CD1 TYR A 67 8.335 2.024 1.448 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.118 4.212 2.144 1.00 0.00 C ATOM 1101 CE1 TYR A 67 9.638 1.516 1.563 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.422 3.708 2.268 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.682 2.355 1.989 1.00 0.00 C ATOM 1104 OH TYR A 67 11.945 1.858 2.129 1.00 0.00 O ATOM 0 H TYR A 67 6.919 2.781 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 67 4.814 4.149 0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.651 4.848 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.071 3.200 2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.532 1.375 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.922 5.252 2.359 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.838 0.482 1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.226 4.360 2.578 1.00 0.00 H new ATOM 0 HH TYR A 67 12.546 2.571 2.430 1.00 0.00 H new ATOM 1114 N THR A 68 5.583 6.386 0.109 1.00 0.00 N ATOM 1115 CA THR A 68 5.680 7.668 -0.588 1.00 0.00 C ATOM 1116 C THR A 68 5.706 8.819 0.412 1.00 0.00 C ATOM 1117 O THR A 68 5.028 8.757 1.438 1.00 0.00 O ATOM 1118 CB THR A 68 4.534 7.824 -1.599 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.703 9.037 -2.306 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.146 7.830 -0.951 1.00 0.00 C ATOM 0 H THR A 68 4.896 6.389 0.863 1.00 0.00 H new ATOM 0 HA THR A 68 6.616 7.692 -1.146 1.00 0.00 H new ATOM 0 HB THR A 68 4.580 6.959 -2.260 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.267 8.882 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.385 7.943 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.988 6.891 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.076 8.660 -0.248 1.00 0.00 H new ATOM 1128 N GLU A 69 6.460 9.878 0.100 1.00 0.00 N ATOM 1129 CA GLU A 69 6.541 11.083 0.911 1.00 0.00 C ATOM 1130 C GLU A 69 5.336 11.977 0.608 1.00 0.00 C ATOM 1131 O GLU A 69 5.457 13.035 -0.007 1.00 0.00 O ATOM 1132 CB GLU A 69 7.907 11.780 0.754 1.00 0.00 C ATOM 1133 CG GLU A 69 8.621 11.579 -0.593 1.00 0.00 C ATOM 1134 CD GLU A 69 7.770 11.987 -1.792 1.00 0.00 C ATOM 1135 OE1 GLU A 69 7.780 13.194 -2.116 1.00 0.00 O ATOM 1136 OE2 GLU A 69 7.132 11.076 -2.367 1.00 0.00 O ATOM 0 H GLU A 69 7.039 9.916 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 69 6.488 10.826 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.766 12.849 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.566 11.426 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.544 12.158 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.902 10.531 -0.695 1.00 0.00 H new ATOM 1143 N PHE A 70 4.157 11.530 1.054 1.00 0.00 N ATOM 1144 CA PHE A 70 2.893 12.191 0.774 1.00 0.00 C ATOM 1145 C PHE A 70 2.820 13.547 1.465 1.00 0.00 C ATOM 1146 O PHE A 70 3.264 13.706 2.599 1.00 0.00 O ATOM 1147 CB PHE A 70 1.698 11.330 1.202 1.00 0.00 C ATOM 1148 CG PHE A 70 1.341 11.435 2.669 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.173 10.833 3.620 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.289 12.268 3.093 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.833 10.871 4.981 1.00 0.00 C ATOM 1152 CE2 PHE A 70 0.081 12.472 4.467 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.818 11.736 5.411 1.00 0.00 C ATOM 0 H PHE A 70 4.060 10.690 1.625 1.00 0.00 H new ATOM 0 HA PHE A 70 2.843 12.338 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.830 11.616 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.915 10.288 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.080 10.338 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.353 12.746 2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.348 10.240 5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.648 13.197 4.799 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.603 11.837 6.464 1.00 0.00 H new ATOM 1163 N THR A 71 2.222 14.507 0.766 1.00 0.00 N ATOM 1164 CA THR A 71 2.044 15.865 1.244 1.00 0.00 C ATOM 1165 C THR A 71 0.548 16.173 1.192 1.00 0.00 C ATOM 1166 O THR A 71 0.012 16.336 0.097 1.00 0.00 O ATOM 1167 CB THR A 71 2.845 16.824 0.357 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.206 16.444 0.319 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.737 18.236 0.931 1.00 0.00 C ATOM 0 H THR A 71 1.841 14.354 -0.168 1.00 0.00 H new ATOM 0 HA THR A 71 2.405 15.983 2.266 1.00 0.00 H new ATOM 0 HB THR A 71 2.442 16.792 -0.655 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.703 17.065 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.304 18.927 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.691 18.541 0.952 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.139 18.249 1.944 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.152 16.229 2.335 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.596 16.370 2.354 1.00 0.00 C ATOM 1179 C PRO A 72 -1.983 17.838 2.133 1.00 0.00 C ATOM 1180 O PRO A 72 -2.234 18.574 3.086 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.029 15.807 3.709 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.832 16.103 4.613 1.00 0.00 C ATOM 1183 CD PRO A 72 0.372 16.022 3.674 1.00 0.00 C ATOM 0 HA PRO A 72 -2.101 15.830 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.937 16.289 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.236 14.738 3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.913 17.088 5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.755 15.378 5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.114 16.780 3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.866 15.054 3.755 1.00 0.00 H new ATOM 1191 N THR A 73 -2.016 18.260 0.861 1.00 0.00 N ATOM 1192 CA THR A 73 -2.345 19.621 0.455 1.00 0.00 C ATOM 1193 C THR A 73 -3.851 19.876 0.606 1.00 0.00 C ATOM 1194 O THR A 73 -4.651 19.411 -0.205 1.00 0.00 O ATOM 1195 CB THR A 73 -1.838 19.900 -0.974 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.415 19.033 -1.932 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.311 19.801 -1.060 1.00 0.00 C ATOM 0 H THR A 73 -1.809 17.646 0.073 1.00 0.00 H new ATOM 0 HA THR A 73 -1.834 20.323 1.114 1.00 0.00 H new ATOM 0 HB THR A 73 -2.147 20.920 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.381 18.111 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.010 20.004 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.139 20.530 -0.387 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.005 18.798 -0.773 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.231 20.608 1.663 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.611 20.913 2.027 1.00 0.00 C ATOM 1207 C GLU A 74 -6.430 19.626 2.189 1.00 0.00 C ATOM 1208 O GLU A 74 -6.080 18.787 3.019 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.238 21.924 1.051 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.498 23.264 1.066 1.00 0.00 C ATOM 1211 CD GLU A 74 -6.170 24.265 0.131 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.199 24.835 0.556 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -5.650 24.432 -0.993 1.00 0.00 O ATOM 0 H GLU A 74 -3.555 21.017 2.309 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.616 21.402 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.223 21.512 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.284 22.083 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.479 23.663 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.462 23.116 0.763 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.506 19.456 1.406 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.398 18.306 1.489 1.00 0.00 C ATOM 1222 C LYS A 75 -7.862 17.163 0.623 1.00 0.00 C ATOM 1223 O LYS A 75 -8.596 16.570 -0.166 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.820 18.728 1.086 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.872 17.723 1.577 1.00 0.00 C ATOM 1226 CD LYS A 75 -12.275 18.303 1.358 1.00 0.00 C ATOM 1227 CE LYS A 75 -13.385 17.362 1.842 1.00 0.00 C ATOM 1228 NZ LYS A 75 -13.298 17.094 3.289 1.00 0.00 N ATOM 0 H LYS A 75 -7.779 20.128 0.689 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.441 17.939 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.038 19.713 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.880 18.816 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.769 16.780 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.718 17.506 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.356 19.255 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.417 18.511 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.356 17.801 1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.324 16.421 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.140 16.567 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.446 16.531 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.246 17.995 3.806 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.576 16.842 0.786 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.966 15.694 0.135 1.00 0.00 C ATOM 1244 C ASP A 76 -6.431 14.434 0.857 1.00 0.00 C ATOM 1245 O ASP A 76 -6.637 14.460 2.070 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.439 15.800 0.182 1.00 0.00 C ATOM 1247 CG ASP A 76 -3.776 15.470 -1.152 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.081 14.388 -1.701 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -2.932 16.287 -1.584 1.00 0.00 O ATOM 0 H ASP A 76 -5.934 17.374 1.374 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.266 15.658 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.160 16.811 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.057 15.125 0.948 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.571 13.334 0.115 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.012 12.055 0.638 1.00 0.00 C ATOM 1256 C GLU A 77 -6.275 10.966 -0.141 1.00 0.00 C ATOM 1257 O GLU A 77 -6.761 10.487 -1.164 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.544 11.969 0.538 1.00 0.00 C ATOM 1259 CG GLU A 77 -9.094 10.724 1.248 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.621 10.683 1.250 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.199 10.696 0.142 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -11.192 10.609 2.360 1.00 0.00 O ATOM 0 H GLU A 77 -6.375 13.315 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.775 11.927 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.987 12.863 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.839 11.949 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.710 9.830 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.731 10.705 2.276 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.077 10.605 0.339 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.254 9.573 -0.266 1.00 0.00 C ATOM 1271 C TYR A 78 -4.881 8.199 -0.035 1.00 0.00 C ATOM 1272 O TYR A 78 -5.515 7.953 0.991 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.814 9.621 0.260 1.00 0.00 C ATOM 1274 CG TYR A 78 -1.961 10.736 -0.311 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.223 12.074 0.031 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.921 10.439 -1.212 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.450 13.107 -0.525 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.158 11.480 -1.775 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.413 12.814 -1.423 1.00 0.00 C ATOM 1280 OH TYR A 78 0.334 13.820 -1.963 1.00 0.00 O ATOM 0 H TYR A 78 -4.657 11.030 1.165 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.209 9.758 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.843 9.725 1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.332 8.668 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.019 12.308 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.708 9.412 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.656 14.133 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.627 11.251 -2.481 1.00 0.00 H new ATOM 0 HH TYR A 78 0.292 14.607 -1.381 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.694 7.309 -1.012 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.199 5.948 -1.003 1.00 0.00 C ATOM 1292 C ALA A 79 -4.192 5.012 -1.662 1.00 0.00 C ATOM 1293 O ALA A 79 -3.225 5.463 -2.275 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.561 5.902 -1.711 1.00 0.00 C ATOM 0 H ALA A 79 -4.168 7.531 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.338 5.612 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.940 4.880 -1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.264 6.553 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.447 6.240 -2.741 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.415 3.703 -1.507 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.537 2.659 -2.008 1.00 0.00 C ATOM 1302 C CYS A 80 -4.379 1.572 -2.666 1.00 0.00 C ATOM 1303 O CYS A 80 -5.219 0.951 -2.014 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.685 2.111 -0.859 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.321 3.218 -0.414 1.00 0.00 S ATOM 0 H CYS A 80 -5.232 3.339 -1.017 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.856 3.059 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.318 1.951 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.282 1.139 -1.142 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.132 1.338 -3.960 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.666 0.190 -4.675 1.00 0.00 C ATOM 1312 C ARG A 81 -4.024 -1.061 -4.080 1.00 0.00 C ATOM 1313 O ARG A 81 -2.841 -1.026 -3.754 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.293 0.312 -6.160 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.844 -0.826 -7.031 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.211 -0.783 -8.424 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.768 -1.829 -9.291 1.00 0.00 N ATOM 1318 CZ ARG A 81 -4.132 -2.383 -10.338 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.958 -1.900 -10.768 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.675 -3.443 -10.951 1.00 0.00 N ATOM 0 H ARG A 81 -3.552 1.947 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.751 0.138 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.665 1.263 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.207 0.335 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.637 -1.787 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.927 -0.738 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.381 0.195 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.132 -0.912 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.710 -2.161 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.533 -1.100 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.489 -2.333 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.563 -3.822 -10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.201 -3.871 -11.746 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.769 -2.164 -3.951 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.185 -3.464 -3.688 1.00 0.00 C ATOM 1336 C VAL A 82 -4.864 -4.478 -4.608 1.00 0.00 C ATOM 1337 O VAL A 82 -6.047 -4.765 -4.438 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.310 -3.818 -2.197 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -3.609 -5.156 -1.964 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -3.650 -2.752 -1.307 1.00 0.00 C ATOM 0 H VAL A 82 -5.786 -2.171 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.116 -3.468 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.367 -3.870 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.685 -5.428 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.083 -5.926 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.558 -5.070 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.758 -3.035 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.591 -2.675 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.133 -1.789 -1.474 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.115 -5.005 -5.586 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.591 -6.023 -6.513 1.00 0.00 C ATOM 1352 C ASN A 83 -3.536 -7.122 -6.617 1.00 0.00 C ATOM 1353 O ASN A 83 -2.697 -7.097 -7.514 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.904 -5.396 -7.879 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.669 -6.375 -8.769 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.878 -6.533 -8.620 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -4.977 -7.031 -9.702 1.00 0.00 N ATOM 0 H ASN A 83 -3.148 -4.727 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.518 -6.464 -6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.492 -4.489 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.976 -5.102 -8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.451 -7.689 -10.320 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.974 -6.875 -9.797 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.580 -8.093 -5.698 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.788 -9.311 -5.794 1.00 0.00 C ATOM 1366 C HIS A 84 -3.457 -10.185 -6.861 1.00 0.00 C ATOM 1367 O HIS A 84 -4.654 -10.039 -7.106 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.789 -10.009 -4.436 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.042 -11.313 -4.454 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.729 -12.516 -4.569 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.696 -11.566 -4.466 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.779 -13.448 -4.616 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.541 -12.932 -4.560 1.00 0.00 N ATOM 0 H HIS A 84 -4.170 -8.050 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.752 -9.110 -6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.342 -9.349 -3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.818 -10.189 -4.125 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.095 -10.833 -4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.983 -14.506 -4.691 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.339 -13.448 -4.583 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.712 -11.094 -7.494 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.251 -11.942 -8.556 1.00 0.00 C ATOM 1383 C VAL A 85 -4.512 -12.710 -8.133 1.00 0.00 C ATOM 1384 O VAL A 85 -5.427 -12.855 -8.943 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.152 -12.837 -9.158 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.512 -13.792 -8.144 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.685 -13.649 -10.345 1.00 0.00 C ATOM 0 H VAL A 85 -1.727 -11.261 -7.287 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.593 -11.286 -9.356 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.376 -12.149 -9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.747 -14.390 -8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.056 -13.216 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.277 -14.450 -7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.886 -14.271 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.506 -14.284 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.042 -12.970 -11.119 1.00 0.00 H new ATOM 1397 N THR A 86 -4.589 -13.174 -6.877 1.00 0.00 N ATOM 1398 CA THR A 86 -5.752 -13.911 -6.393 1.00 0.00 C ATOM 1399 C THR A 86 -6.948 -13.000 -6.082 1.00 0.00 C ATOM 1400 O THR A 86 -8.080 -13.482 -6.096 1.00 0.00 O ATOM 1401 CB THR A 86 -5.372 -14.870 -5.254 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.200 -16.015 -5.297 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.493 -14.253 -3.863 1.00 0.00 C ATOM 0 H THR A 86 -3.854 -13.048 -6.181 1.00 0.00 H new ATOM 0 HA THR A 86 -6.105 -14.543 -7.208 1.00 0.00 H new ATOM 0 HB THR A 86 -4.323 -15.121 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.109 -15.752 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.208 -14.990 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.834 -13.388 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.523 -13.940 -3.692 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.734 -11.693 -5.847 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.837 -10.740 -5.812 1.00 0.00 C ATOM 1413 C LEU A 87 -8.320 -10.517 -7.241 1.00 0.00 C ATOM 1414 O LEU A 87 -7.598 -9.950 -8.059 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.405 -9.390 -5.223 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.512 -9.274 -3.697 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.817 -10.412 -2.948 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -6.913 -7.925 -3.279 1.00 0.00 C ATOM 0 H LEU A 87 -5.814 -11.284 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.626 -11.147 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.372 -9.200 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.012 -8.605 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.566 -9.343 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.933 -10.265 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.265 -11.363 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.757 -10.420 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.977 -7.818 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.868 -7.880 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.467 -7.117 -3.757 1.00 0.00 H new ATOM 1430 N SER A 88 -9.565 -10.910 -7.522 1.00 0.00 N ATOM 1431 CA SER A 88 -10.234 -10.579 -8.770 1.00 0.00 C ATOM 1432 C SER A 88 -10.427 -9.064 -8.927 1.00 0.00 C ATOM 1433 O SER A 88 -10.539 -8.589 -10.055 1.00 0.00 O ATOM 1434 CB SER A 88 -11.586 -11.299 -8.827 1.00 0.00 C ATOM 1435 OG SER A 88 -11.433 -12.668 -8.510 1.00 0.00 O ATOM 0 H SER A 88 -10.134 -11.468 -6.885 1.00 0.00 H new ATOM 0 HA SER A 88 -9.605 -10.911 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.282 -10.834 -8.129 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.017 -11.196 -9.823 1.00 0.00 H new ATOM 0 HG SER A 88 -12.306 -13.112 -8.549 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.502 -8.318 -7.811 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.899 -6.914 -7.785 1.00 0.00 C ATOM 1443 C GLN A 89 -9.780 -6.060 -7.175 1.00 0.00 C ATOM 1444 O GLN A 89 -9.249 -6.440 -6.132 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.177 -6.743 -6.947 1.00 0.00 C ATOM 1446 CG GLN A 89 -13.296 -7.746 -7.262 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.719 -7.735 -8.729 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -13.588 -8.740 -9.423 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.247 -6.605 -9.202 1.00 0.00 N ATOM 0 H GLN A 89 -10.282 -8.689 -6.887 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.087 -6.588 -8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.917 -6.831 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.561 -5.734 -7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.962 -8.749 -6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.162 -7.522 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.339 -5.791 -8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.559 -6.555 -10.172 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.435 -4.899 -7.761 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.465 -3.989 -7.176 1.00 0.00 C ATOM 1460 C PRO A 90 -9.086 -3.301 -5.959 1.00 0.00 C ATOM 1461 O PRO A 90 -9.888 -2.378 -6.090 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.095 -3.017 -8.298 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.353 -2.969 -9.163 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.919 -4.385 -9.033 1.00 0.00 C ATOM 0 HA PRO A 90 -7.567 -4.485 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.840 -2.032 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.232 -3.368 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.059 -2.219 -8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.121 -2.721 -10.199 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.009 -4.373 -9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.588 -5.014 -9.859 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.721 -3.788 -4.770 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.253 -3.361 -3.491 1.00 0.00 C ATOM 1474 C LYS A 91 -8.563 -2.063 -3.077 1.00 0.00 C ATOM 1475 O LYS A 91 -7.430 -2.092 -2.595 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.017 -4.494 -2.483 1.00 0.00 C ATOM 1477 CG LYS A 91 -9.531 -4.143 -1.084 1.00 0.00 C ATOM 1478 CD LYS A 91 -9.254 -5.301 -0.118 1.00 0.00 C ATOM 1479 CE LYS A 91 -9.542 -4.903 1.334 1.00 0.00 C ATOM 1480 NZ LYS A 91 -10.948 -4.508 1.532 1.00 0.00 N ATOM 0 H LYS A 91 -8.017 -4.520 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.323 -3.160 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.514 -5.399 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.951 -4.715 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.045 -3.236 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.601 -3.938 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.870 -6.158 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.214 -5.613 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.304 -5.739 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.890 -4.077 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.119 -4.329 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.146 -3.644 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.573 -5.273 1.206 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.239 -0.926 -3.277 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.661 0.382 -3.023 1.00 0.00 C ATOM 1496 C ILE A 92 -8.869 0.754 -1.552 1.00 0.00 C ATOM 1497 O ILE A 92 -9.893 1.336 -1.194 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.247 1.444 -3.974 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.438 0.971 -5.425 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.337 2.678 -3.929 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.168 0.425 -6.079 1.00 0.00 C ATOM 0 H ILE A 92 -10.200 -0.895 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.590 0.345 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.253 1.672 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.205 0.197 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.811 1.804 -6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.731 3.445 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.300 3.066 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.332 2.401 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.389 0.114 -7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.404 1.202 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.804 -0.430 -5.510 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.893 0.431 -0.698 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.897 0.857 0.694 1.00 0.00 C ATOM 1515 C VAL A 93 -7.452 2.317 0.744 1.00 0.00 C ATOM 1516 O VAL A 93 -6.272 2.599 0.531 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.969 -0.045 1.530 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.870 0.454 2.979 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.492 -1.487 1.538 1.00 0.00 C ATOM 0 H VAL A 93 -7.083 -0.132 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.897 0.770 1.119 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.980 -0.012 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.209 -0.202 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.470 1.468 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.861 0.450 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.826 -2.112 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.492 -1.509 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.530 -1.866 0.517 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.376 3.241 1.046 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.986 4.613 1.329 1.00 0.00 C ATOM 1531 C LYS A 94 -7.360 4.696 2.717 1.00 0.00 C ATOM 1532 O LYS A 94 -7.791 4.000 3.637 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.121 5.622 1.110 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.099 5.790 2.280 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.025 6.965 1.947 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.051 7.227 3.050 1.00 0.00 C ATOM 1537 NZ LYS A 94 -12.896 8.385 2.707 1.00 0.00 N ATOM 0 H LYS A 94 -9.378 3.060 1.098 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.228 4.907 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.680 6.594 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.686 5.319 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.677 4.878 2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.558 5.980 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.427 7.863 1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.545 6.761 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.674 6.344 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.539 7.410 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.564 8.569 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.296 9.222 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.425 8.182 1.835 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.339 5.543 2.863 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.679 5.756 4.137 1.00 0.00 C ATOM 1553 C TRP A 95 -6.556 6.644 5.018 1.00 0.00 C ATOM 1554 O TRP A 95 -6.827 7.793 4.672 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.307 6.382 3.890 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.624 6.979 5.079 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.325 6.359 6.241 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.145 8.342 5.222 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.692 7.244 7.094 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.593 8.499 6.527 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.098 9.454 4.357 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.081 9.730 6.973 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.564 10.676 4.782 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.105 10.824 6.100 1.00 0.00 C ATOM 0 H TRP A 95 -5.953 6.096 2.098 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.532 4.809 4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.654 5.618 3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.417 7.159 3.134 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.547 5.327 6.470 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.344 7.001 8.021 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.480 9.362 3.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.677 9.830 7.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.505 11.507 4.094 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.767 11.791 6.444 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.976 6.104 6.168 1.00 0.00 N ATOM 1576 CA ASP A 96 -7.649 6.856 7.215 1.00 0.00 C ATOM 1577 C ASP A 96 -6.624 7.727 7.943 1.00 0.00 C ATOM 1578 O ASP A 96 -5.474 7.323 8.098 1.00 0.00 O ATOM 1579 CB ASP A 96 -8.311 5.880 8.190 1.00 0.00 C ATOM 1580 CG ASP A 96 -9.016 6.620 9.321 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -10.183 7.013 9.107 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -8.359 6.801 10.368 1.00 0.00 O ATOM 0 H ASP A 96 -6.852 5.117 6.394 1.00 0.00 H new ATOM 0 HA ASP A 96 -8.417 7.498 6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.030 5.259 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.558 5.210 8.605 1.00 0.00 H new ATOM 1587 N ARG A 97 -7.043 8.919 8.384 1.00 0.00 N ATOM 1588 CA ARG A 97 -6.164 9.922 8.975 1.00 0.00 C ATOM 1589 C ARG A 97 -6.641 10.307 10.378 1.00 0.00 C ATOM 1590 O ARG A 97 -6.556 11.471 10.765 1.00 0.00 O ATOM 1591 CB ARG A 97 -6.089 11.122 8.020 1.00 0.00 C ATOM 1592 CG ARG A 97 -4.882 12.037 8.290 1.00 0.00 C ATOM 1593 CD ARG A 97 -4.871 13.209 7.306 1.00 0.00 C ATOM 1594 NE ARG A 97 -4.733 12.731 5.927 1.00 0.00 N ATOM 1595 CZ ARG A 97 -4.939 13.465 4.824 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -5.180 14.781 4.906 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -4.912 12.868 3.627 1.00 0.00 N ATOM 0 H ARG A 97 -8.018 9.214 8.337 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.159 9.521 9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.039 10.759 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.006 11.705 8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.924 12.413 9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.957 11.467 8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.793 13.782 7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.049 13.883 7.546 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.457 11.758 5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.209 15.238 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.335 15.325 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.736 11.865 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.067 13.415 2.780 1.00 0.00 H new ATOM 1611 N ASP A 98 -7.104 9.329 11.164 1.00 0.00 N ATOM 1612 CA ASP A 98 -7.398 9.527 12.578 1.00 0.00 C ATOM 1613 C ASP A 98 -6.118 9.251 13.375 1.00 0.00 C ATOM 1614 O ASP A 98 -6.086 8.379 14.241 1.00 0.00 O ATOM 1615 CB ASP A 98 -8.575 8.625 12.975 1.00 0.00 C ATOM 1616 CG ASP A 98 -9.125 8.972 14.356 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -9.577 10.127 14.513 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -9.100 8.075 15.227 1.00 0.00 O ATOM 0 H ASP A 98 -7.284 8.381 10.834 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.704 10.550 12.795 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.369 8.720 12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.253 7.584 12.965 1.00 0.00 H new ATOM 1623 N MET A 99 -5.045 9.972 13.025 1.00 0.00 N ATOM 1624 CA MET A 99 -3.686 9.744 13.493 1.00 0.00 C ATOM 1625 C MET A 99 -3.013 11.095 13.721 1.00 0.00 C ATOM 1626 O MET A 99 -2.446 11.276 14.822 1.00 0.00 O ATOM 1627 CB MET A 99 -2.902 8.938 12.443 1.00 0.00 C ATOM 1628 CG MET A 99 -3.463 7.528 12.205 1.00 0.00 C ATOM 1629 SD MET A 99 -3.458 6.404 13.633 1.00 0.00 S ATOM 1630 CE MET A 99 -1.677 6.202 13.897 1.00 0.00 C ATOM 1631 OXT MET A 99 -3.068 11.922 12.784 1.00 0.00 O ATOM 0 H MET A 99 -5.111 10.761 12.381 1.00 0.00 H new ATOM 0 HA MET A 99 -3.704 9.179 14.425 1.00 0.00 H new ATOM 0 HB2 MET A 99 -2.906 9.485 11.500 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.863 8.857 12.761 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.489 7.624 11.850 1.00 0.00 H new ATOM 0 HG3 MET A 99 -2.890 7.063 11.403 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.506 5.430 14.647 1.00 0.00 H new ATOM 0 HE2 MET A 99 -1.201 5.910 12.961 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.251 7.144 14.242 1.00 0.00 H new TER 1641 MET A 99