USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1090 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 111 LYS NZ :NH3+ -148:sc= -0.0637 (180deg=-0.455) USER MOD Set 1.2: A 124 CYS SG : rot 95:sc= -0.681 USER MOD Single : A 8 GLN : amide:sc= -5.05! C(o=-5.1!,f=-5!) USER MOD Single : A 10 SER OG : rot 115:sc= 0.918 USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= -0.266 (180deg=-2.53!) USER MOD Single : A 14 ASN : amide:sc= -3.35! C(o=-3.4!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 69:sc= -2.06! USER MOD Single : A 25 CYS SG : rot 71:sc= -0.259 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.148 (180deg=-0.646) USER MOD Single : A 29 TYR OH : rot 150:sc= -0.46 USER MOD Single : A 30 THR OG1 : rot 56:sc= 0.264 USER MOD Single : A 37 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.054) USER MOD Single : A 41 GLN : amide:sc= -0.0537 K(o=-0.054,f=-0.69) USER MOD Single : A 42 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 45 GLN : amide:sc= -4.55! C(o=-4.6!,f=-3.2!) USER MOD Single : A 46 ASN : amide:sc= -10! C(o=-10!,f=-12!) USER MOD Single : A 48 CYS SG : rot -160:sc= -5.5! USER MOD Single : A 53 SER OG : rot 68:sc= 0.5! USER MOD Single : A 60 THR OG1 : rot 130:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -3.43! K(o=-3.4!,f=-1.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.444 K(o=0.44,f=-0.86) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -4.27! C(o=-4.3!,f=-3.7!) USER MOD Single : A 79 GLN : amide:sc= -6.02! C(o=-6!,f=-2.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc=-0.00528 (180deg=-0.282) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.0429 (180deg=-0.364) USER MOD Single : A 101 MET CE :methyl -155:sc= -0.722 (180deg=-1.75) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 107 CYS SG : rot 9:sc= -12.6! USER MOD Single : A 117 HIS : no HE2:sc= -5.38! C(o=-5.4!,f=-3.2!) USER MOD Single : A 122 MET CE :methyl 149:sc= -0.206 (180deg=-1.33) USER MOD Single : A 133 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1.3!) USER MOD Single : A 134 GLN : amide:sc= -0.915 X(o=-0.91,f=-0.5) USER MOD Single : A 140 GLN : amide:sc= -3.24! K(o=-3.2!,f=-1.3) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -17.258 -23.400 -2.761 1.00 0.00 N ATOM 2 CA VAL A 4 -16.102 -22.509 -3.045 1.00 0.00 C ATOM 3 C VAL A 4 -15.060 -23.275 -3.852 1.00 0.00 C ATOM 4 O VAL A 4 -14.862 -24.458 -3.655 1.00 0.00 O ATOM 5 CB VAL A 4 -15.480 -22.026 -1.721 1.00 0.00 C ATOM 6 CG1 VAL A 4 -14.839 -20.648 -1.920 1.00 0.00 C ATOM 7 CG2 VAL A 4 -16.576 -21.926 -0.664 1.00 0.00 C ATOM 0 HA VAL A 4 -16.442 -21.645 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.716 -22.733 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.401 -20.311 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.061 -20.715 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.599 -19.936 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.144 -21.585 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.335 -21.217 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -17.033 -22.905 -0.519 1.00 0.00 H new ATOM 17 N VAL A 5 -14.389 -22.607 -4.752 1.00 0.00 N ATOM 18 CA VAL A 5 -13.349 -23.295 -5.564 1.00 0.00 C ATOM 19 C VAL A 5 -12.192 -23.686 -4.625 1.00 0.00 C ATOM 20 O VAL A 5 -11.713 -22.859 -3.879 1.00 0.00 O ATOM 21 CB VAL A 5 -12.825 -22.325 -6.640 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.024 -21.200 -5.968 1.00 0.00 C ATOM 23 CG2 VAL A 5 -11.916 -23.080 -7.621 1.00 0.00 C ATOM 0 H VAL A 5 -14.517 -21.616 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.763 -24.180 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.669 -21.900 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.653 -20.513 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.668 -20.659 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.182 -21.628 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.548 -22.390 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.072 -23.508 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.482 -23.879 -8.100 1.00 0.00 H new ATOM 33 N PRO A 6 -11.735 -24.916 -4.644 1.00 0.00 N ATOM 34 CA PRO A 6 -10.613 -25.345 -3.758 1.00 0.00 C ATOM 35 C PRO A 6 -9.253 -24.783 -4.207 1.00 0.00 C ATOM 36 O PRO A 6 -8.232 -25.089 -3.629 1.00 0.00 O ATOM 37 CB PRO A 6 -10.635 -26.875 -3.873 1.00 0.00 C ATOM 38 CG PRO A 6 -11.214 -27.152 -5.218 1.00 0.00 C ATOM 39 CD PRO A 6 -12.222 -26.038 -5.480 1.00 0.00 C ATOM 0 HA PRO A 6 -10.738 -24.980 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.632 -27.292 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.239 -27.322 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.437 -27.163 -5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.697 -28.129 -5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.253 -25.766 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.231 -26.338 -5.198 1.00 0.00 H new ATOM 47 N ASP A 7 -9.227 -23.984 -5.237 1.00 0.00 N ATOM 48 CA ASP A 7 -7.906 -23.436 -5.717 1.00 0.00 C ATOM 49 C ASP A 7 -7.409 -22.297 -4.801 1.00 0.00 C ATOM 50 O ASP A 7 -6.292 -21.830 -4.946 1.00 0.00 O ATOM 51 CB ASP A 7 -8.029 -22.929 -7.172 1.00 0.00 C ATOM 52 CG ASP A 7 -8.896 -21.664 -7.240 1.00 0.00 C ATOM 53 OD1 ASP A 7 -8.858 -20.881 -6.309 1.00 0.00 O ATOM 54 OD2 ASP A 7 -9.571 -21.492 -8.241 1.00 0.00 O ATOM 0 H ASP A 7 -10.045 -23.684 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.177 -24.245 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.038 -22.717 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.466 -23.708 -7.797 1.00 0.00 H new ATOM 59 N GLN A 8 -8.205 -21.852 -3.854 1.00 0.00 N ATOM 60 CA GLN A 8 -7.734 -20.764 -2.936 1.00 0.00 C ATOM 61 C GLN A 8 -6.927 -21.415 -1.826 1.00 0.00 C ATOM 62 O GLN A 8 -5.748 -21.168 -1.664 1.00 0.00 O ATOM 63 CB GLN A 8 -8.921 -20.004 -2.332 1.00 0.00 C ATOM 64 CG GLN A 8 -9.955 -19.750 -3.425 1.00 0.00 C ATOM 65 CD GLN A 8 -11.024 -18.787 -2.913 1.00 0.00 C ATOM 66 OE1 GLN A 8 -10.721 -17.687 -2.490 1.00 0.00 O ATOM 67 NE2 GLN A 8 -12.275 -19.156 -2.936 1.00 0.00 N ATOM 0 H GLN A 8 -9.151 -22.192 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.129 -20.048 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.364 -20.581 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.585 -19.059 -1.904 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.470 -19.333 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.415 -20.690 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.528 -20.078 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.000 -18.522 -2.599 1.00 0.00 H new ATOM 76 N ARG A 9 -7.559 -22.248 -1.054 1.00 0.00 N ATOM 77 CA ARG A 9 -6.833 -22.934 0.036 1.00 0.00 C ATOM 78 C ARG A 9 -5.632 -23.709 -0.532 1.00 0.00 C ATOM 79 O ARG A 9 -4.573 -23.761 0.063 1.00 0.00 O ATOM 80 CB ARG A 9 -7.786 -23.913 0.730 1.00 0.00 C ATOM 81 CG ARG A 9 -8.938 -23.144 1.373 1.00 0.00 C ATOM 82 CD ARG A 9 -9.801 -24.100 2.195 1.00 0.00 C ATOM 83 NE ARG A 9 -9.043 -24.539 3.398 1.00 0.00 N ATOM 84 CZ ARG A 9 -9.672 -25.077 4.401 1.00 0.00 C ATOM 85 NH1 ARG A 9 -10.964 -25.256 4.337 1.00 0.00 N ATOM 86 NH2 ARG A 9 -9.012 -25.438 5.467 1.00 0.00 N ATOM 0 H ARG A 9 -8.549 -22.482 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.471 -22.194 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.174 -24.631 0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.249 -24.482 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.547 -22.352 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.542 -22.664 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.726 -23.607 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.081 -24.964 1.593 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.031 -24.418 3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.477 -24.974 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.460 -25.678 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.003 -25.298 5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.505 -25.860 6.254 1.00 0.00 H new ATOM 100 N SER A 10 -5.808 -24.339 -1.669 1.00 0.00 N ATOM 101 CA SER A 10 -4.704 -25.156 -2.267 1.00 0.00 C ATOM 102 C SER A 10 -3.521 -24.285 -2.717 1.00 0.00 C ATOM 103 O SER A 10 -2.388 -24.563 -2.385 1.00 0.00 O ATOM 104 CB SER A 10 -5.253 -25.918 -3.479 1.00 0.00 C ATOM 105 OG SER A 10 -6.472 -26.550 -3.122 1.00 0.00 O ATOM 0 H SER A 10 -6.672 -24.322 -2.211 1.00 0.00 H new ATOM 0 HA SER A 10 -4.341 -25.843 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.415 -25.233 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.529 -26.661 -3.814 1.00 0.00 H new ATOM 0 HG SER A 10 -7.208 -26.154 -3.634 1.00 0.00 H new ATOM 111 N LYS A 11 -3.754 -23.251 -3.478 1.00 0.00 N ATOM 112 CA LYS A 11 -2.605 -22.412 -3.921 1.00 0.00 C ATOM 113 C LYS A 11 -1.971 -21.731 -2.698 1.00 0.00 C ATOM 114 O LYS A 11 -0.770 -21.613 -2.584 1.00 0.00 O ATOM 115 CB LYS A 11 -3.084 -21.366 -4.951 1.00 0.00 C ATOM 116 CG LYS A 11 -3.803 -20.205 -4.254 1.00 0.00 C ATOM 117 CD LYS A 11 -4.469 -19.317 -5.314 1.00 0.00 C ATOM 118 CE LYS A 11 -4.977 -18.018 -4.681 1.00 0.00 C ATOM 119 NZ LYS A 11 -5.684 -17.214 -5.716 1.00 0.00 N ATOM 0 H LYS A 11 -4.673 -22.954 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.853 -23.039 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.231 -20.986 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.755 -21.837 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.552 -20.588 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.094 -19.622 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.756 -19.088 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.298 -19.852 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.651 -18.241 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.143 -17.450 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.344 -16.232 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.495 -17.616 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.707 -17.232 -5.531 1.00 0.00 H new ATOM 133 N PHE A 12 -2.773 -21.284 -1.775 1.00 0.00 N ATOM 134 CA PHE A 12 -2.207 -20.616 -0.565 1.00 0.00 C ATOM 135 C PHE A 12 -1.274 -21.565 0.214 1.00 0.00 C ATOM 136 O PHE A 12 -0.196 -21.178 0.630 1.00 0.00 O ATOM 137 CB PHE A 12 -3.355 -20.134 0.338 1.00 0.00 C ATOM 138 CG PHE A 12 -2.809 -19.689 1.675 1.00 0.00 C ATOM 139 CD1 PHE A 12 -2.337 -18.381 1.869 1.00 0.00 C ATOM 140 CD2 PHE A 12 -2.777 -20.607 2.729 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.833 -18.004 3.122 1.00 0.00 C ATOM 142 CE2 PHE A 12 -2.277 -20.232 3.980 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.803 -18.929 4.180 1.00 0.00 C ATOM 0 H PHE A 12 -3.791 -21.350 -1.802 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.613 -19.761 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.884 -19.310 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.078 -20.937 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.362 -17.669 1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.141 -21.612 2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.467 -17.000 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.256 -20.946 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.416 -18.636 5.145 1.00 0.00 H new ATOM 153 N GLU A 13 -1.677 -22.785 0.446 1.00 0.00 N ATOM 154 CA GLU A 13 -0.804 -23.721 1.232 1.00 0.00 C ATOM 155 C GLU A 13 0.382 -24.269 0.407 1.00 0.00 C ATOM 156 O GLU A 13 1.328 -24.786 0.973 1.00 0.00 O ATOM 157 CB GLU A 13 -1.653 -24.886 1.757 1.00 0.00 C ATOM 158 CG GLU A 13 -2.076 -25.782 0.596 1.00 0.00 C ATOM 159 CD GLU A 13 -3.116 -26.787 1.086 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.290 -26.470 1.021 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.720 -27.857 1.518 1.00 0.00 O ATOM 0 H GLU A 13 -2.564 -23.177 0.131 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.379 -23.153 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.084 -25.464 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.534 -24.503 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.489 -25.178 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.210 -26.306 0.192 1.00 0.00 H new ATOM 168 N ASN A 14 0.347 -24.206 -0.910 1.00 0.00 N ATOM 169 CA ASN A 14 1.493 -24.779 -1.715 1.00 0.00 C ATOM 170 C ASN A 14 1.981 -23.832 -2.835 1.00 0.00 C ATOM 171 O ASN A 14 2.911 -24.153 -3.548 1.00 0.00 O ATOM 172 CB ASN A 14 1.033 -26.110 -2.317 1.00 0.00 C ATOM 173 CG ASN A 14 -0.145 -25.862 -3.257 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.271 -24.794 -3.823 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.038 -26.797 -3.433 1.00 0.00 N ATOM 0 H ASN A 14 -0.408 -23.792 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 14 2.342 -24.919 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.853 -26.579 -2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.741 -26.799 -1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.838 -26.630 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.936 -27.695 -2.960 1.00 0.00 H new ATOM 182 N GLU A 15 1.401 -22.667 -3.000 1.00 0.00 N ATOM 183 CA GLU A 15 1.904 -21.747 -4.075 1.00 0.00 C ATOM 184 C GLU A 15 3.097 -20.960 -3.522 1.00 0.00 C ATOM 185 O GLU A 15 3.021 -20.364 -2.466 1.00 0.00 O ATOM 186 CB GLU A 15 0.798 -20.779 -4.506 1.00 0.00 C ATOM 187 CG GLU A 15 1.242 -20.035 -5.766 1.00 0.00 C ATOM 188 CD GLU A 15 0.258 -18.904 -6.094 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.694 -18.729 -5.349 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.475 -18.227 -7.087 1.00 0.00 O ATOM 0 H GLU A 15 0.617 -22.316 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 15 2.209 -22.330 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.125 -21.326 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.587 -20.070 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.242 -19.625 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.301 -20.729 -6.604 1.00 0.00 H new ATOM 197 N GLU A 16 4.204 -20.970 -4.212 1.00 0.00 N ATOM 198 CA GLU A 16 5.412 -20.249 -3.710 1.00 0.00 C ATOM 199 C GLU A 16 5.377 -18.752 -4.068 1.00 0.00 C ATOM 200 O GLU A 16 6.295 -18.026 -3.763 1.00 0.00 O ATOM 201 CB GLU A 16 6.662 -20.871 -4.323 1.00 0.00 C ATOM 202 CG GLU A 16 6.743 -22.353 -3.955 1.00 0.00 C ATOM 203 CD GLU A 16 6.903 -22.497 -2.442 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.032 -22.503 -1.982 1.00 0.00 O ATOM 205 OE2 GLU A 16 5.891 -22.598 -1.770 1.00 0.00 O ATOM 0 H GLU A 16 4.326 -21.447 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 16 5.425 -20.340 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.640 -20.758 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.550 -20.350 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.843 -22.870 -4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.585 -22.820 -4.466 1.00 0.00 H new ATOM 212 N PHE A 17 4.356 -18.285 -4.727 1.00 0.00 N ATOM 213 CA PHE A 17 4.309 -16.837 -5.120 1.00 0.00 C ATOM 214 C PHE A 17 4.418 -15.912 -3.894 1.00 0.00 C ATOM 215 O PHE A 17 4.761 -14.751 -4.027 1.00 0.00 O ATOM 216 CB PHE A 17 2.991 -16.584 -5.891 1.00 0.00 C ATOM 217 CG PHE A 17 2.472 -15.161 -5.680 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.246 -14.051 -6.063 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.214 -14.964 -5.088 1.00 0.00 C ATOM 220 CE1 PHE A 17 2.757 -12.751 -5.856 1.00 0.00 C ATOM 221 CE2 PHE A 17 0.728 -13.667 -4.882 1.00 0.00 C ATOM 222 CZ PHE A 17 1.498 -12.559 -5.268 1.00 0.00 C ATOM 0 H PHE A 17 3.548 -18.838 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 17 5.163 -16.609 -5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.154 -16.757 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.236 -17.298 -5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.215 -14.198 -6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.620 -15.815 -4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.351 -11.898 -6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.240 -13.519 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.121 -11.559 -5.112 1.00 0.00 H new ATOM 232 N PHE A 18 4.118 -16.377 -2.718 1.00 0.00 N ATOM 233 CA PHE A 18 4.209 -15.461 -1.543 1.00 0.00 C ATOM 234 C PHE A 18 5.673 -15.238 -1.147 1.00 0.00 C ATOM 235 O PHE A 18 6.160 -14.137 -1.158 1.00 0.00 O ATOM 236 CB PHE A 18 3.452 -16.068 -0.367 1.00 0.00 C ATOM 237 CG PHE A 18 2.144 -16.625 -0.865 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.136 -15.755 -1.297 1.00 0.00 C ATOM 239 CD2 PHE A 18 1.944 -18.011 -0.916 1.00 0.00 C ATOM 240 CE1 PHE A 18 -0.073 -16.269 -1.780 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.741 -18.527 -1.405 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.270 -17.653 -1.840 1.00 0.00 C ATOM 0 H PHE A 18 3.819 -17.331 -2.516 1.00 0.00 H new ATOM 0 HA PHE A 18 3.768 -14.501 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.045 -16.856 0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.273 -15.312 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.291 -14.687 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.720 -18.681 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.854 -15.598 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.588 -19.595 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.199 -18.050 -2.221 1.00 0.00 H new ATOM 252 N ARG A 19 6.391 -16.270 -0.798 1.00 0.00 N ATOM 253 CA ARG A 19 7.816 -16.054 -0.415 1.00 0.00 C ATOM 254 C ARG A 19 8.565 -15.404 -1.588 1.00 0.00 C ATOM 255 O ARG A 19 9.494 -14.641 -1.389 1.00 0.00 O ATOM 256 CB ARG A 19 8.489 -17.385 0.006 1.00 0.00 C ATOM 257 CG ARG A 19 7.860 -18.578 -0.742 1.00 0.00 C ATOM 258 CD ARG A 19 6.711 -19.177 0.086 1.00 0.00 C ATOM 259 NE ARG A 19 7.253 -20.087 1.133 1.00 0.00 N ATOM 260 CZ ARG A 19 6.513 -20.407 2.154 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.308 -19.920 2.259 1.00 0.00 N ATOM 262 NH2 ARG A 19 6.985 -21.213 3.061 1.00 0.00 N ATOM 0 H ARG A 19 6.062 -17.235 -0.761 1.00 0.00 H new ATOM 0 HA ARG A 19 7.855 -15.387 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.557 -17.340 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.382 -17.527 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.487 -18.252 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.617 -19.339 -0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.133 -18.378 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.030 -19.725 -0.566 1.00 0.00 H new ATOM 0 HE ARG A 19 8.200 -20.458 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.948 -19.290 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.725 -20.169 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.929 -21.589 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.411 -21.469 3.865 1.00 0.00 H new ATOM 276 N LYS A 20 8.181 -15.695 -2.811 1.00 0.00 N ATOM 277 CA LYS A 20 8.888 -15.080 -3.977 1.00 0.00 C ATOM 278 C LYS A 20 8.769 -13.548 -3.953 1.00 0.00 C ATOM 279 O LYS A 20 9.682 -12.859 -4.368 1.00 0.00 O ATOM 280 CB LYS A 20 8.317 -15.632 -5.290 1.00 0.00 C ATOM 281 CG LYS A 20 8.671 -17.116 -5.452 1.00 0.00 C ATOM 282 CD LYS A 20 10.168 -17.277 -5.752 1.00 0.00 C ATOM 283 CE LYS A 20 10.441 -18.674 -6.300 1.00 0.00 C ATOM 284 NZ LYS A 20 11.908 -18.832 -6.491 1.00 0.00 N ATOM 0 H LYS A 20 7.416 -16.326 -3.048 1.00 0.00 H new ATOM 0 HA LYS A 20 9.945 -15.339 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.234 -15.508 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.713 -15.064 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.415 -17.659 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.082 -17.551 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.486 -16.525 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.749 -17.113 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.066 -19.430 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.919 -18.818 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.109 -19.781 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.250 -18.116 -7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.392 -18.709 -5.579 1.00 0.00 H new ATOM 298 N LEU A 21 7.670 -12.994 -3.487 1.00 0.00 N ATOM 299 CA LEU A 21 7.546 -11.490 -3.458 1.00 0.00 C ATOM 300 C LEU A 21 6.922 -11.008 -2.145 1.00 0.00 C ATOM 301 O LEU A 21 7.143 -9.886 -1.731 1.00 0.00 O ATOM 302 CB LEU A 21 6.691 -11.017 -4.634 1.00 0.00 C ATOM 303 CG LEU A 21 7.451 -11.215 -5.956 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.507 -10.874 -7.116 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.677 -10.277 -6.008 1.00 0.00 C ATOM 0 H LEU A 21 6.863 -13.506 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 21 8.548 -11.068 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.754 -11.573 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.435 -9.965 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 21 7.791 -12.248 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.030 -11.009 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.639 -11.532 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.180 -9.838 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.209 -10.425 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.346 -9.241 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.343 -10.502 -5.175 1.00 0.00 H new ATOM 317 N SER A 22 6.159 -11.826 -1.479 1.00 0.00 N ATOM 318 CA SER A 22 5.546 -11.381 -0.196 1.00 0.00 C ATOM 319 C SER A 22 6.587 -11.444 0.922 1.00 0.00 C ATOM 320 O SER A 22 6.451 -12.172 1.886 1.00 0.00 O ATOM 321 CB SER A 22 4.350 -12.267 0.149 1.00 0.00 C ATOM 322 OG SER A 22 4.812 -13.493 0.696 1.00 0.00 O ATOM 0 H SER A 22 5.933 -12.779 -1.764 1.00 0.00 H new ATOM 0 HA SER A 22 5.200 -10.353 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.702 -11.759 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.754 -12.456 -0.744 1.00 0.00 H new ATOM 0 HG SER A 22 5.199 -13.331 1.582 1.00 0.00 H new ATOM 328 N ARG A 23 7.627 -10.676 0.791 1.00 0.00 N ATOM 329 CA ARG A 23 8.709 -10.649 1.811 1.00 0.00 C ATOM 330 C ARG A 23 9.216 -9.207 1.923 1.00 0.00 C ATOM 331 O ARG A 23 8.710 -8.314 1.268 1.00 0.00 O ATOM 332 CB ARG A 23 9.849 -11.575 1.377 1.00 0.00 C ATOM 333 CG ARG A 23 10.561 -10.997 0.154 1.00 0.00 C ATOM 334 CD ARG A 23 11.524 -12.049 -0.406 1.00 0.00 C ATOM 335 NE ARG A 23 12.459 -11.400 -1.380 1.00 0.00 N ATOM 336 CZ ARG A 23 12.011 -10.722 -2.406 1.00 0.00 C ATOM 337 NH1 ARG A 23 10.748 -10.774 -2.731 1.00 0.00 N ATOM 338 NH2 ARG A 23 12.838 -10.037 -3.151 1.00 0.00 N ATOM 0 H ARG A 23 7.777 -10.050 0.000 1.00 0.00 H new ATOM 0 HA ARG A 23 8.335 -10.991 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.558 -11.699 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.455 -12.564 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.833 -10.711 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.107 -10.094 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.088 -12.510 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.965 -12.845 -0.897 1.00 0.00 H new ATOM 0 HE ARG A 23 13.466 -11.488 -1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.104 -11.345 -2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.405 -10.243 -3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.834 -10.030 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.487 -9.509 -3.950 1.00 0.00 H new ATOM 352 N GLU A 24 10.202 -8.968 2.737 1.00 0.00 N ATOM 353 CA GLU A 24 10.734 -7.583 2.852 1.00 0.00 C ATOM 354 C GLU A 24 11.277 -7.151 1.482 1.00 0.00 C ATOM 355 O GLU A 24 12.221 -7.722 0.974 1.00 0.00 O ATOM 356 CB GLU A 24 11.842 -7.544 3.922 1.00 0.00 C ATOM 357 CG GLU A 24 12.935 -8.574 3.593 1.00 0.00 C ATOM 358 CD GLU A 24 13.769 -8.865 4.843 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.203 -8.865 5.923 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.957 -9.099 4.697 1.00 0.00 O ATOM 0 H GLU A 24 10.661 -9.665 3.324 1.00 0.00 H new ATOM 0 HA GLU A 24 9.945 -6.895 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.276 -6.545 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.417 -7.755 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.481 -9.494 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.576 -8.195 2.797 1.00 0.00 H new ATOM 367 N CYS A 25 10.675 -6.154 0.873 1.00 0.00 N ATOM 368 CA CYS A 25 11.142 -5.680 -0.477 1.00 0.00 C ATOM 369 C CYS A 25 11.327 -4.155 -0.456 1.00 0.00 C ATOM 370 O CYS A 25 10.621 -3.448 0.230 1.00 0.00 O ATOM 371 CB CYS A 25 10.076 -6.022 -1.520 1.00 0.00 C ATOM 372 SG CYS A 25 10.055 -7.805 -1.827 1.00 0.00 S ATOM 0 H CYS A 25 9.877 -5.645 1.253 1.00 0.00 H new ATOM 0 HA CYS A 25 12.087 -6.164 -0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.097 -5.694 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.280 -5.488 -2.448 1.00 0.00 H new ATOM 0 HG CYS A 25 9.569 -8.418 -0.789 1.00 0.00 H new ATOM 378 N GLU A 26 12.251 -3.636 -1.225 1.00 0.00 N ATOM 379 CA GLU A 26 12.439 -2.156 -1.263 1.00 0.00 C ATOM 380 C GLU A 26 11.218 -1.546 -1.940 1.00 0.00 C ATOM 381 O GLU A 26 10.632 -2.157 -2.806 1.00 0.00 O ATOM 382 CB GLU A 26 13.702 -1.822 -2.060 1.00 0.00 C ATOM 383 CG GLU A 26 14.906 -2.476 -1.386 1.00 0.00 C ATOM 384 CD GLU A 26 16.185 -2.056 -2.110 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.101 -1.738 -3.284 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.224 -2.051 -1.472 1.00 0.00 O ATOM 0 H GLU A 26 12.879 -4.171 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 26 12.548 -1.756 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.605 -2.179 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.840 -0.742 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.955 -2.180 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.803 -3.561 -1.407 1.00 0.00 H new ATOM 393 N ILE A 27 10.817 -0.356 -1.554 1.00 0.00 N ATOM 394 CA ILE A 27 9.615 0.268 -2.200 1.00 0.00 C ATOM 395 C ILE A 27 9.888 1.724 -2.566 1.00 0.00 C ATOM 396 O ILE A 27 10.728 2.398 -1.978 1.00 0.00 O ATOM 397 CB ILE A 27 8.402 0.178 -1.266 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.627 0.985 0.020 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.162 -1.282 -0.888 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.306 1.088 0.794 1.00 0.00 C ATOM 0 H ILE A 27 11.264 0.205 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 27 9.398 -0.281 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 27 7.540 0.588 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.386 0.504 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.998 1.981 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.300 -1.349 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.972 -1.865 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.043 -1.676 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.463 1.661 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.560 1.588 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.955 0.088 1.049 1.00 0.00 H new ATOM 412 N LYS A 28 9.171 2.213 -3.543 1.00 0.00 N ATOM 413 CA LYS A 28 9.361 3.619 -3.993 1.00 0.00 C ATOM 414 C LYS A 28 8.021 4.170 -4.521 1.00 0.00 C ATOM 415 O LYS A 28 7.383 3.568 -5.370 1.00 0.00 O ATOM 416 CB LYS A 28 10.413 3.611 -5.113 1.00 0.00 C ATOM 417 CG LYS A 28 10.753 5.041 -5.563 1.00 0.00 C ATOM 418 CD LYS A 28 11.936 5.019 -6.555 1.00 0.00 C ATOM 419 CE LYS A 28 11.559 4.288 -7.860 1.00 0.00 C ATOM 420 NZ LYS A 28 10.208 4.714 -8.338 1.00 0.00 N ATOM 0 H LYS A 28 8.456 1.692 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 28 9.695 4.252 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.317 3.112 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.040 3.038 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.883 5.499 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.006 5.652 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.241 6.040 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.791 4.526 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.304 4.498 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.568 3.211 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.080 4.416 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.475 4.274 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.128 5.749 -8.275 1.00 0.00 H new ATOM 434 N TYR A 29 7.592 5.312 -4.026 1.00 0.00 N ATOM 435 CA TYR A 29 6.295 5.908 -4.498 1.00 0.00 C ATOM 436 C TYR A 29 6.376 6.179 -6.007 1.00 0.00 C ATOM 437 O TYR A 29 7.431 6.469 -6.529 1.00 0.00 O ATOM 438 CB TYR A 29 6.062 7.229 -3.743 1.00 0.00 C ATOM 439 CG TYR A 29 4.772 7.900 -4.187 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.778 8.812 -5.251 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.574 7.618 -3.521 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.586 9.439 -5.648 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.383 8.242 -3.917 1.00 0.00 C ATOM 444 CZ TYR A 29 2.387 9.153 -4.981 1.00 0.00 C ATOM 445 OH TYR A 29 1.212 9.768 -5.370 1.00 0.00 O ATOM 0 H TYR A 29 8.083 5.856 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 29 5.472 5.220 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.023 7.035 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.902 7.902 -3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.701 9.033 -5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.567 6.917 -2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.593 10.142 -6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.461 8.020 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 29 0.455 9.173 -5.187 1.00 0.00 H new ATOM 455 N THR A 30 5.274 6.087 -6.710 1.00 0.00 N ATOM 456 CA THR A 30 5.302 6.336 -8.188 1.00 0.00 C ATOM 457 C THR A 30 5.362 7.849 -8.447 1.00 0.00 C ATOM 458 O THR A 30 4.559 8.602 -7.939 1.00 0.00 O ATOM 459 CB THR A 30 4.030 5.754 -8.812 1.00 0.00 C ATOM 460 OG1 THR A 30 4.013 4.341 -8.648 1.00 0.00 O ATOM 461 CG2 THR A 30 3.967 6.092 -10.302 1.00 0.00 C ATOM 0 H THR A 30 4.358 5.851 -6.327 1.00 0.00 H new ATOM 0 HA THR A 30 6.178 5.862 -8.631 1.00 0.00 H new ATOM 0 HB THR A 30 3.166 6.190 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.100 4.121 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.058 5.672 -10.732 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.962 7.174 -10.430 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.836 5.671 -10.808 1.00 0.00 H new ATOM 469 N GLY A 31 6.316 8.299 -9.229 1.00 0.00 N ATOM 470 CA GLY A 31 6.431 9.763 -9.505 1.00 0.00 C ATOM 471 C GLY A 31 7.799 10.072 -10.135 1.00 0.00 C ATOM 472 O GLY A 31 8.690 9.242 -10.149 1.00 0.00 O ATOM 0 H GLY A 31 7.017 7.715 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.632 10.079 -10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.312 10.327 -8.580 1.00 0.00 H new ATOM 476 N PHE A 32 7.966 11.258 -10.667 1.00 0.00 N ATOM 477 CA PHE A 32 9.268 11.622 -11.314 1.00 0.00 C ATOM 478 C PHE A 32 10.195 12.325 -10.314 1.00 0.00 C ATOM 479 O PHE A 32 9.993 13.466 -9.950 1.00 0.00 O ATOM 480 CB PHE A 32 8.987 12.545 -12.506 1.00 0.00 C ATOM 481 CG PHE A 32 8.215 11.775 -13.548 1.00 0.00 C ATOM 482 CD1 PHE A 32 8.827 10.702 -14.207 1.00 0.00 C ATOM 483 CD2 PHE A 32 6.892 12.125 -13.854 1.00 0.00 C ATOM 484 CE1 PHE A 32 8.124 9.979 -15.171 1.00 0.00 C ATOM 485 CE2 PHE A 32 6.187 11.400 -14.820 1.00 0.00 C ATOM 486 CZ PHE A 32 6.803 10.327 -15.479 1.00 0.00 C ATOM 0 H PHE A 32 7.257 11.991 -10.682 1.00 0.00 H new ATOM 0 HA PHE A 32 9.766 10.714 -11.654 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.418 13.416 -12.182 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.923 12.914 -12.926 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.846 10.433 -13.969 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.419 12.952 -13.345 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.598 9.152 -15.679 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.168 11.667 -15.058 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.258 9.768 -16.225 1.00 0.00 H new ATOM 496 N ARG A 33 11.226 11.644 -9.895 1.00 0.00 N ATOM 497 CA ARG A 33 12.212 12.246 -8.943 1.00 0.00 C ATOM 498 C ARG A 33 12.997 13.378 -9.629 1.00 0.00 C ATOM 499 O ARG A 33 13.772 14.068 -8.997 1.00 0.00 O ATOM 500 CB ARG A 33 13.200 11.190 -8.446 1.00 0.00 C ATOM 501 CG ARG A 33 12.446 10.069 -7.717 1.00 0.00 C ATOM 502 CD ARG A 33 13.453 9.155 -7.012 1.00 0.00 C ATOM 503 NE ARG A 33 14.361 8.548 -8.018 1.00 0.00 N ATOM 504 CZ ARG A 33 15.456 7.939 -7.641 1.00 0.00 C ATOM 505 NH1 ARG A 33 15.791 7.875 -6.381 1.00 0.00 N ATOM 506 NH2 ARG A 33 16.231 7.404 -8.537 1.00 0.00 N ATOM 0 H ARG A 33 11.433 10.685 -10.173 1.00 0.00 H new ATOM 0 HA ARG A 33 11.655 12.646 -8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.758 10.778 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.927 11.647 -7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.753 10.494 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.851 9.494 -8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.029 9.725 -6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.928 8.374 -6.462 1.00 0.00 H new ATOM 0 HE ARG A 33 14.130 8.606 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.195 8.304 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.648 7.396 -6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.984 7.461 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.087 6.927 -8.252 1.00 0.00 H new ATOM 520 N ASP A 34 12.826 13.541 -10.923 1.00 0.00 N ATOM 521 CA ASP A 34 13.586 14.590 -11.668 1.00 0.00 C ATOM 522 C ASP A 34 13.051 15.956 -11.277 1.00 0.00 C ATOM 523 O ASP A 34 13.592 16.980 -11.649 1.00 0.00 O ATOM 524 CB ASP A 34 13.395 14.386 -13.176 1.00 0.00 C ATOM 525 CG ASP A 34 14.065 13.074 -13.591 1.00 0.00 C ATOM 526 OD1 ASP A 34 14.658 12.443 -12.733 1.00 0.00 O ATOM 527 OD2 ASP A 34 13.967 12.720 -14.753 1.00 0.00 O ATOM 0 H ASP A 34 12.188 12.987 -11.494 1.00 0.00 H new ATOM 0 HA ASP A 34 14.646 14.520 -11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.333 14.360 -13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.829 15.221 -13.727 1.00 0.00 H new ATOM 532 N ARG A 35 12.012 15.980 -10.491 1.00 0.00 N ATOM 533 CA ARG A 35 11.465 17.279 -10.021 1.00 0.00 C ATOM 534 C ARG A 35 12.305 17.721 -8.818 1.00 0.00 C ATOM 535 O ARG A 35 12.807 16.891 -8.088 1.00 0.00 O ATOM 536 CB ARG A 35 9.996 17.106 -9.615 1.00 0.00 C ATOM 537 CG ARG A 35 9.148 16.810 -10.865 1.00 0.00 C ATOM 538 CD ARG A 35 8.882 18.095 -11.668 1.00 0.00 C ATOM 539 NE ARG A 35 8.541 19.225 -10.755 1.00 0.00 N ATOM 540 CZ ARG A 35 8.580 20.456 -11.185 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.910 20.717 -12.424 1.00 0.00 N ATOM 542 NH2 ARG A 35 8.277 21.433 -10.371 1.00 0.00 N ATOM 0 H ARG A 35 11.518 15.154 -10.154 1.00 0.00 H new ATOM 0 HA ARG A 35 11.509 18.030 -10.810 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.900 16.292 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.635 18.009 -9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.663 16.084 -11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.201 16.360 -10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.762 18.350 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.065 17.929 -12.370 1.00 0.00 H new ATOM 0 HE ARG A 35 8.276 19.034 -9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.139 19.955 -13.062 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.938 21.682 -12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.012 21.230 -9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.305 22.398 -10.700 1.00 0.00 H new ATOM 556 N PRO A 36 12.478 19.006 -8.604 1.00 0.00 N ATOM 557 CA PRO A 36 13.288 19.496 -7.458 1.00 0.00 C ATOM 558 C PRO A 36 13.002 18.693 -6.191 1.00 0.00 C ATOM 559 O PRO A 36 12.085 17.898 -6.140 1.00 0.00 O ATOM 560 CB PRO A 36 12.825 20.946 -7.291 1.00 0.00 C ATOM 561 CG PRO A 36 12.384 21.386 -8.656 1.00 0.00 C ATOM 562 CD PRO A 36 11.929 20.124 -9.407 1.00 0.00 C ATOM 0 HA PRO A 36 14.360 19.401 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.008 21.017 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.633 21.575 -6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.570 22.107 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.200 21.877 -9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.842 20.070 -9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.312 20.108 -10.427 1.00 0.00 H new ATOM 570 N HIS A 37 13.750 18.907 -5.158 1.00 0.00 N ATOM 571 CA HIS A 37 13.481 18.160 -3.904 1.00 0.00 C ATOM 572 C HIS A 37 12.060 18.486 -3.447 1.00 0.00 C ATOM 573 O HIS A 37 11.535 17.889 -2.541 1.00 0.00 O ATOM 574 CB HIS A 37 14.486 18.583 -2.828 1.00 0.00 C ATOM 575 CG HIS A 37 15.880 18.271 -3.299 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.263 16.987 -3.659 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.995 19.056 -3.462 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.559 17.032 -4.015 1.00 0.00 C ATOM 579 NE2 HIS A 37 18.056 18.269 -3.913 1.00 0.00 N ATOM 0 H HIS A 37 14.532 19.561 -5.123 1.00 0.00 H new ATOM 0 HA HIS A 37 13.581 17.088 -4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.389 19.649 -2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.279 18.059 -1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 37 17.043 20.118 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.128 16.175 -4.343 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.007 18.573 -4.120 1.00 0.00 H new ATOM 587 N GLU A 38 11.430 19.437 -4.064 1.00 0.00 N ATOM 588 CA GLU A 38 10.044 19.789 -3.643 1.00 0.00 C ATOM 589 C GLU A 38 9.137 18.576 -3.801 1.00 0.00 C ATOM 590 O GLU A 38 8.019 18.552 -3.324 1.00 0.00 O ATOM 591 CB GLU A 38 9.533 20.952 -4.497 1.00 0.00 C ATOM 592 CG GLU A 38 9.142 20.470 -5.907 1.00 0.00 C ATOM 593 CD GLU A 38 9.002 21.679 -6.833 1.00 0.00 C ATOM 594 OE1 GLU A 38 8.932 22.784 -6.317 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.968 21.485 -8.036 1.00 0.00 O ATOM 0 H GLU A 38 11.807 19.986 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 38 10.044 20.092 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.671 21.412 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.303 21.719 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.899 19.787 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.204 19.917 -5.868 1.00 0.00 H new ATOM 602 N GLU A 39 9.604 17.582 -4.487 1.00 0.00 N ATOM 603 CA GLU A 39 8.765 16.386 -4.703 1.00 0.00 C ATOM 604 C GLU A 39 8.568 15.611 -3.398 1.00 0.00 C ATOM 605 O GLU A 39 7.546 14.987 -3.197 1.00 0.00 O ATOM 606 CB GLU A 39 9.448 15.495 -5.755 1.00 0.00 C ATOM 607 CG GLU A 39 10.580 14.664 -5.122 1.00 0.00 C ATOM 608 CD GLU A 39 10.027 13.362 -4.536 1.00 0.00 C ATOM 609 OE1 GLU A 39 9.342 12.655 -5.256 1.00 0.00 O ATOM 610 OE2 GLU A 39 10.309 13.093 -3.382 1.00 0.00 O ATOM 0 H GLU A 39 10.532 17.547 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 39 7.780 16.693 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.712 14.830 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.851 16.115 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.337 14.439 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.070 15.243 -4.339 1.00 0.00 H new ATOM 617 N ARG A 40 9.512 15.628 -2.502 1.00 0.00 N ATOM 618 CA ARG A 40 9.292 14.850 -1.247 1.00 0.00 C ATOM 619 C ARG A 40 8.059 15.394 -0.512 1.00 0.00 C ATOM 620 O ARG A 40 7.154 14.654 -0.167 1.00 0.00 O ATOM 621 CB ARG A 40 10.526 14.943 -0.320 1.00 0.00 C ATOM 622 CG ARG A 40 11.111 16.379 -0.304 1.00 0.00 C ATOM 623 CD ARG A 40 11.516 16.799 1.123 1.00 0.00 C ATOM 624 NE ARG A 40 12.610 17.815 1.046 1.00 0.00 N ATOM 625 CZ ARG A 40 13.785 17.510 0.586 1.00 0.00 C ATOM 626 NH1 ARG A 40 14.036 16.302 0.159 1.00 0.00 N ATOM 627 NH2 ARG A 40 14.719 18.413 0.561 1.00 0.00 N ATOM 0 H ARG A 40 10.398 16.127 -2.575 1.00 0.00 H new ATOM 0 HA ARG A 40 9.133 13.805 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.246 14.651 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.289 14.241 -0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.979 16.428 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.374 17.079 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.656 17.212 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.850 15.930 1.689 1.00 0.00 H new ATOM 0 HE ARG A 40 12.429 18.768 1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.306 15.590 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.962 16.070 -0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.527 19.355 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.644 18.180 0.201 1.00 0.00 H new ATOM 641 N GLN A 41 8.011 16.681 -0.290 1.00 0.00 N ATOM 642 CA GLN A 41 6.848 17.287 0.416 1.00 0.00 C ATOM 643 C GLN A 41 5.651 17.413 -0.528 1.00 0.00 C ATOM 644 O GLN A 41 4.532 17.112 -0.170 1.00 0.00 O ATOM 645 CB GLN A 41 7.253 18.683 0.909 1.00 0.00 C ATOM 646 CG GLN A 41 7.588 19.556 -0.307 1.00 0.00 C ATOM 647 CD GLN A 41 8.405 20.771 0.124 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.314 20.657 0.923 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.113 21.938 -0.381 1.00 0.00 N ATOM 0 H GLN A 41 8.735 17.342 -0.571 1.00 0.00 H new ATOM 0 HA GLN A 41 6.563 16.651 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.442 19.131 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.114 18.614 1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.148 18.973 -1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.669 19.881 -0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.349 22.027 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.649 22.761 -0.106 1.00 0.00 H new ATOM 658 N THR A 42 5.864 17.880 -1.721 1.00 0.00 N ATOM 659 CA THR A 42 4.720 18.043 -2.652 1.00 0.00 C ATOM 660 C THR A 42 4.074 16.683 -2.926 1.00 0.00 C ATOM 661 O THR A 42 2.871 16.567 -2.987 1.00 0.00 O ATOM 662 CB THR A 42 5.215 18.691 -3.954 1.00 0.00 C ATOM 663 OG1 THR A 42 5.839 19.928 -3.651 1.00 0.00 O ATOM 664 CG2 THR A 42 4.041 18.948 -4.902 1.00 0.00 C ATOM 0 H THR A 42 6.774 18.154 -2.091 1.00 0.00 H new ATOM 0 HA THR A 42 3.966 18.691 -2.204 1.00 0.00 H new ATOM 0 HB THR A 42 5.923 18.017 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.760 19.767 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.408 19.407 -5.820 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.552 18.003 -5.140 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.326 19.617 -4.423 1.00 0.00 H new ATOM 672 N ARG A 43 4.846 15.649 -3.093 1.00 0.00 N ATOM 673 CA ARG A 43 4.218 14.324 -3.353 1.00 0.00 C ATOM 674 C ARG A 43 3.331 13.897 -2.174 1.00 0.00 C ATOM 675 O ARG A 43 2.284 13.328 -2.372 1.00 0.00 O ATOM 676 CB ARG A 43 5.299 13.266 -3.634 1.00 0.00 C ATOM 677 CG ARG A 43 6.039 13.595 -4.946 1.00 0.00 C ATOM 678 CD ARG A 43 5.227 13.135 -6.165 1.00 0.00 C ATOM 679 NE ARG A 43 5.987 13.485 -7.395 1.00 0.00 N ATOM 680 CZ ARG A 43 5.649 12.963 -8.543 1.00 0.00 C ATOM 681 NH1 ARG A 43 4.647 12.134 -8.601 1.00 0.00 N ATOM 682 NH2 ARG A 43 6.283 13.299 -9.636 1.00 0.00 N ATOM 0 H ARG A 43 5.865 15.660 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 43 3.583 14.412 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.008 13.232 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.842 12.279 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.218 14.668 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.014 13.109 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.052 12.060 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.249 13.617 -6.173 1.00 0.00 H new ATOM 0 HE ARG A 43 6.773 14.133 -7.341 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.132 11.896 -7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.377 11.722 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.047 13.973 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.013 12.887 -10.529 1.00 0.00 H new ATOM 696 N PHE A 44 3.734 14.128 -0.953 1.00 0.00 N ATOM 697 CA PHE A 44 2.875 13.674 0.180 1.00 0.00 C ATOM 698 C PHE A 44 1.504 14.353 0.190 1.00 0.00 C ATOM 699 O PHE A 44 0.498 13.698 0.344 1.00 0.00 O ATOM 700 CB PHE A 44 3.572 13.916 1.527 1.00 0.00 C ATOM 701 CG PHE A 44 4.677 12.897 1.719 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.388 11.515 1.712 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.997 13.331 1.890 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.421 10.583 1.870 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.025 12.397 2.047 1.00 0.00 C ATOM 706 CZ PHE A 44 6.737 11.025 2.037 1.00 0.00 C ATOM 0 H PHE A 44 4.600 14.600 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 44 2.718 12.605 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.984 14.925 1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.850 13.842 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.370 11.177 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.221 14.387 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.202 9.525 1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.043 12.733 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.534 10.307 2.159 1.00 0.00 H new ATOM 716 N GLN A 45 1.441 15.645 0.073 1.00 0.00 N ATOM 717 CA GLN A 45 0.106 16.312 0.127 1.00 0.00 C ATOM 718 C GLN A 45 -0.712 15.998 -1.120 1.00 0.00 C ATOM 719 O GLN A 45 -1.825 15.543 -1.019 1.00 0.00 O ATOM 720 CB GLN A 45 0.271 17.825 0.281 1.00 0.00 C ATOM 721 CG GLN A 45 1.431 18.347 -0.608 1.00 0.00 C ATOM 722 CD GLN A 45 2.593 18.828 0.260 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.194 19.843 -0.020 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.937 18.135 1.307 1.00 0.00 N ATOM 0 H GLN A 45 2.240 16.265 -0.056 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.429 15.925 0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.657 18.326 0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.469 18.069 1.325 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.771 17.555 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.076 19.164 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.431 17.281 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.712 18.446 1.892 1.00 0.00 H new ATOM 733 N ASN A 46 -0.182 16.265 -2.286 1.00 0.00 N ATOM 734 CA ASN A 46 -0.952 15.993 -3.543 1.00 0.00 C ATOM 735 C ASN A 46 -1.295 14.503 -3.666 1.00 0.00 C ATOM 736 O ASN A 46 -2.311 14.130 -4.234 1.00 0.00 O ATOM 737 CB ASN A 46 -0.149 16.440 -4.770 1.00 0.00 C ATOM 738 CG ASN A 46 1.065 15.540 -5.009 1.00 0.00 C ATOM 739 OD1 ASN A 46 2.170 16.027 -5.116 1.00 0.00 O ATOM 740 ND2 ASN A 46 0.912 14.250 -5.141 1.00 0.00 N ATOM 0 H ASN A 46 0.749 16.659 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.881 16.562 -3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.791 16.426 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.182 17.469 -4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.720 13.658 -5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.015 13.835 -5.052 1.00 0.00 H new ATOM 747 N ALA A 47 -0.460 13.649 -3.146 1.00 0.00 N ATOM 748 CA ALA A 47 -0.741 12.187 -3.251 1.00 0.00 C ATOM 749 C ALA A 47 -1.734 11.815 -2.168 1.00 0.00 C ATOM 750 O ALA A 47 -2.615 11.004 -2.360 1.00 0.00 O ATOM 751 CB ALA A 47 0.540 11.386 -3.032 1.00 0.00 C ATOM 0 H ALA A 47 0.400 13.895 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.138 11.964 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.321 10.321 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.276 11.662 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.939 11.602 -2.041 1.00 0.00 H new ATOM 757 N CYS A 48 -1.594 12.411 -1.023 1.00 0.00 N ATOM 758 CA CYS A 48 -2.519 12.112 0.091 1.00 0.00 C ATOM 759 C CYS A 48 -3.966 12.514 -0.258 1.00 0.00 C ATOM 760 O CYS A 48 -4.890 11.799 0.065 1.00 0.00 O ATOM 761 CB CYS A 48 -2.030 12.848 1.329 1.00 0.00 C ATOM 762 SG CYS A 48 -0.625 11.941 2.030 1.00 0.00 S ATOM 0 H CYS A 48 -0.871 13.099 -0.812 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.529 11.038 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.732 13.864 1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.832 12.927 2.063 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.460 12.289 3.272 1.00 0.00 H new ATOM 768 N ARG A 49 -4.190 13.633 -0.915 1.00 0.00 N ATOM 769 CA ARG A 49 -5.606 13.990 -1.258 1.00 0.00 C ATOM 770 C ARG A 49 -6.166 12.895 -2.179 1.00 0.00 C ATOM 771 O ARG A 49 -7.257 12.397 -1.987 1.00 0.00 O ATOM 772 CB ARG A 49 -5.655 15.359 -1.940 1.00 0.00 C ATOM 773 CG ARG A 49 -4.497 15.477 -2.928 1.00 0.00 C ATOM 774 CD ARG A 49 -4.620 16.775 -3.718 1.00 0.00 C ATOM 775 NE ARG A 49 -4.254 17.938 -2.848 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.974 19.093 -3.385 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.976 19.219 -4.680 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.673 20.117 -2.630 1.00 0.00 N ATOM 0 H ARG A 49 -3.477 14.295 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.212 14.052 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.605 15.484 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.593 16.151 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.547 15.455 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.500 14.625 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.968 16.743 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.639 16.892 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.224 17.827 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.196 18.417 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.758 20.120 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.656 20.015 -1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.455 21.018 -3.056 1.00 0.00 H new ATOM 792 N ASP A 50 -5.382 12.449 -3.128 1.00 0.00 N ATOM 793 CA ASP A 50 -5.819 11.313 -3.994 1.00 0.00 C ATOM 794 C ASP A 50 -5.164 10.090 -3.373 1.00 0.00 C ATOM 795 O ASP A 50 -4.066 9.702 -3.720 1.00 0.00 O ATOM 796 CB ASP A 50 -5.341 11.497 -5.436 1.00 0.00 C ATOM 797 CG ASP A 50 -3.881 11.924 -5.425 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.352 12.060 -4.341 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.316 12.093 -6.493 1.00 0.00 O ATOM 0 H ASP A 50 -4.457 12.823 -3.340 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.905 11.233 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.457 10.567 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.949 12.248 -5.941 1.00 0.00 H new ATOM 804 N GLY A 51 -5.818 9.523 -2.412 1.00 0.00 N ATOM 805 CA GLY A 51 -5.251 8.356 -1.669 1.00 0.00 C ATOM 806 C GLY A 51 -5.100 7.157 -2.591 1.00 0.00 C ATOM 807 O GLY A 51 -4.872 6.049 -2.147 1.00 0.00 O ATOM 0 H GLY A 51 -6.742 9.818 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.281 8.622 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.902 8.099 -0.833 1.00 0.00 H new ATOM 811 N ARG A 52 -5.179 7.374 -3.869 1.00 0.00 N ATOM 812 CA ARG A 52 -4.987 6.251 -4.824 1.00 0.00 C ATOM 813 C ARG A 52 -3.493 6.231 -5.139 1.00 0.00 C ATOM 814 O ARG A 52 -3.048 6.765 -6.134 1.00 0.00 O ATOM 815 CB ARG A 52 -5.784 6.544 -6.099 1.00 0.00 C ATOM 816 CG ARG A 52 -7.248 6.780 -5.729 1.00 0.00 C ATOM 817 CD ARG A 52 -8.068 7.028 -6.993 1.00 0.00 C ATOM 818 NE ARG A 52 -7.443 8.127 -7.779 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.792 8.315 -9.011 1.00 0.00 C ATOM 820 NH1 ARG A 52 -8.664 7.516 -9.569 1.00 0.00 N ATOM 821 NH2 ARG A 52 -7.265 9.298 -9.681 1.00 0.00 N ATOM 0 H ARG A 52 -5.368 8.281 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.323 5.297 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.378 7.420 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.702 5.709 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.641 5.916 -5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.330 7.635 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.117 6.119 -7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.092 7.291 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.742 8.730 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.067 6.747 -9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.941 7.662 -10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.584 9.912 -9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.533 9.455 -10.653 1.00 0.00 H new ATOM 835 N SER A 53 -2.712 5.658 -4.259 1.00 0.00 N ATOM 836 CA SER A 53 -1.235 5.644 -4.459 1.00 0.00 C ATOM 837 C SER A 53 -0.788 4.480 -5.324 1.00 0.00 C ATOM 838 O SER A 53 -1.176 3.347 -5.110 1.00 0.00 O ATOM 839 CB SER A 53 -0.529 5.528 -3.111 1.00 0.00 C ATOM 840 OG SER A 53 0.873 5.646 -3.307 1.00 0.00 O ATOM 0 H SER A 53 -3.037 5.198 -3.408 1.00 0.00 H new ATOM 0 HA SER A 53 -0.974 6.576 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.881 6.307 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.764 4.571 -2.645 1.00 0.00 H new ATOM 0 HG SER A 53 1.087 6.557 -3.598 1.00 0.00 H new ATOM 846 N GLU A 54 0.105 4.746 -6.238 1.00 0.00 N ATOM 847 CA GLU A 54 0.684 3.655 -7.067 1.00 0.00 C ATOM 848 C GLU A 54 2.121 3.471 -6.570 1.00 0.00 C ATOM 849 O GLU A 54 2.871 4.421 -6.447 1.00 0.00 O ATOM 850 CB GLU A 54 0.685 4.036 -8.553 1.00 0.00 C ATOM 851 CG GLU A 54 -0.748 4.267 -9.037 1.00 0.00 C ATOM 852 CD GLU A 54 -0.732 4.647 -10.525 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.330 4.588 -11.124 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.789 4.980 -11.041 1.00 0.00 O ATOM 0 H GLU A 54 0.460 5.679 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 54 0.100 2.739 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.278 4.938 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.152 3.245 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.343 3.366 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.217 5.059 -8.454 1.00 0.00 H new ATOM 861 N ILE A 55 2.504 2.267 -6.256 1.00 0.00 N ATOM 862 CA ILE A 55 3.884 2.027 -5.738 1.00 0.00 C ATOM 863 C ILE A 55 4.364 0.665 -6.202 1.00 0.00 C ATOM 864 O ILE A 55 3.585 -0.184 -6.592 1.00 0.00 O ATOM 865 CB ILE A 55 3.869 2.103 -4.216 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.241 1.701 -3.663 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.796 1.168 -3.664 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.396 2.136 -2.195 1.00 0.00 C ATOM 0 H ILE A 55 1.921 1.434 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 55 4.566 2.786 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 55 3.646 3.125 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.365 0.621 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.027 2.156 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.788 1.225 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.821 1.465 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.011 0.145 -3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.378 1.838 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.296 3.219 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.624 1.660 -1.591 1.00 0.00 H new ATOM 880 N ALA A 56 5.648 0.457 -6.205 1.00 0.00 N ATOM 881 CA ALA A 56 6.171 -0.862 -6.704 1.00 0.00 C ATOM 882 C ALA A 56 7.455 -1.280 -6.009 1.00 0.00 C ATOM 883 O ALA A 56 8.110 -0.502 -5.344 1.00 0.00 O ATOM 884 CB ALA A 56 6.470 -0.735 -8.197 1.00 0.00 C ATOM 0 H ALA A 56 6.354 1.123 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 56 5.409 -1.614 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.850 -1.684 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.556 -0.473 -8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.217 0.043 -8.354 1.00 0.00 H new ATOM 890 N PHE A 57 7.840 -2.518 -6.201 1.00 0.00 N ATOM 891 CA PHE A 57 9.105 -3.008 -5.598 1.00 0.00 C ATOM 892 C PHE A 57 10.248 -2.665 -6.557 1.00 0.00 C ATOM 893 O PHE A 57 10.258 -3.085 -7.689 1.00 0.00 O ATOM 894 CB PHE A 57 9.066 -4.531 -5.439 1.00 0.00 C ATOM 895 CG PHE A 57 7.915 -4.960 -4.551 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.874 -4.563 -3.205 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.902 -5.791 -5.065 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.824 -4.989 -2.382 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.857 -6.218 -4.231 1.00 0.00 C ATOM 900 CZ PHE A 57 5.822 -5.816 -2.893 1.00 0.00 C ATOM 0 H PHE A 57 7.327 -3.207 -6.751 1.00 0.00 H new ATOM 0 HA PHE A 57 9.243 -2.545 -4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.967 -4.999 -6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.007 -4.879 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.652 -3.930 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.929 -6.100 -6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.789 -4.677 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.080 -6.857 -4.623 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.018 -6.146 -2.252 1.00 0.00 H new ATOM 910 N VAL A 58 11.211 -1.913 -6.130 1.00 0.00 N ATOM 911 CA VAL A 58 12.339 -1.573 -7.046 1.00 0.00 C ATOM 912 C VAL A 58 13.026 -2.853 -7.528 1.00 0.00 C ATOM 913 O VAL A 58 13.408 -2.980 -8.675 1.00 0.00 O ATOM 914 CB VAL A 58 13.326 -0.695 -6.290 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.554 -0.409 -7.159 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.640 0.614 -5.914 1.00 0.00 C ATOM 0 H VAL A 58 11.273 -1.517 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 58 11.964 -1.038 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 58 13.653 -1.212 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.252 0.220 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.041 -1.348 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.244 0.105 -8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.340 1.249 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.312 1.126 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.777 0.404 -5.282 1.00 0.00 H new ATOM 926 N ALA A 59 13.200 -3.797 -6.655 1.00 0.00 N ATOM 927 CA ALA A 59 13.868 -5.063 -7.055 1.00 0.00 C ATOM 928 C ALA A 59 13.089 -5.768 -8.175 1.00 0.00 C ATOM 929 O ALA A 59 13.679 -6.369 -9.048 1.00 0.00 O ATOM 930 CB ALA A 59 13.941 -5.989 -5.846 1.00 0.00 C ATOM 0 H ALA A 59 12.909 -3.749 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 59 14.867 -4.827 -7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.430 -6.921 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.512 -5.507 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.933 -6.202 -5.490 1.00 0.00 H new ATOM 936 N THR A 60 11.768 -5.723 -8.140 1.00 0.00 N ATOM 937 CA THR A 60 10.952 -6.419 -9.184 1.00 0.00 C ATOM 938 C THR A 60 10.148 -5.395 -9.978 1.00 0.00 C ATOM 939 O THR A 60 9.736 -4.381 -9.469 1.00 0.00 O ATOM 940 CB THR A 60 9.990 -7.408 -8.509 1.00 0.00 C ATOM 941 OG1 THR A 60 10.713 -8.205 -7.579 1.00 0.00 O ATOM 942 CG2 THR A 60 9.378 -8.313 -9.578 1.00 0.00 C ATOM 0 H THR A 60 11.226 -5.232 -7.429 1.00 0.00 H new ATOM 0 HA THR A 60 11.618 -6.958 -9.858 1.00 0.00 H new ATOM 0 HB THR A 60 9.203 -6.863 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.250 -8.201 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.693 -9.019 -9.108 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.833 -7.705 -10.301 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.170 -8.861 -10.088 1.00 0.00 H new ATOM 950 N GLY A 61 9.921 -5.645 -11.230 1.00 0.00 N ATOM 951 CA GLY A 61 9.144 -4.670 -12.038 1.00 0.00 C ATOM 952 C GLY A 61 7.666 -4.774 -11.668 1.00 0.00 C ATOM 953 O GLY A 61 6.832 -4.066 -12.191 1.00 0.00 O ATOM 0 H GLY A 61 10.237 -6.477 -11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.506 -3.658 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.280 -4.870 -13.101 1.00 0.00 H new ATOM 957 N THR A 62 7.338 -5.651 -10.760 1.00 0.00 N ATOM 958 CA THR A 62 5.913 -5.802 -10.347 1.00 0.00 C ATOM 959 C THR A 62 5.478 -4.551 -9.585 1.00 0.00 C ATOM 960 O THR A 62 6.168 -4.099 -8.693 1.00 0.00 O ATOM 961 CB THR A 62 5.758 -7.023 -9.423 1.00 0.00 C ATOM 962 OG1 THR A 62 6.061 -8.218 -10.133 1.00 0.00 O ATOM 963 CG2 THR A 62 4.322 -7.098 -8.917 1.00 0.00 C ATOM 0 H THR A 62 7.995 -6.270 -10.285 1.00 0.00 H new ATOM 0 HA THR A 62 5.297 -5.939 -11.236 1.00 0.00 H new ATOM 0 HB THR A 62 6.445 -6.918 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.961 -8.988 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.212 -7.963 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.084 -6.190 -8.362 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.642 -7.195 -9.764 1.00 0.00 H new ATOM 971 N ASN A 63 4.332 -3.991 -9.918 1.00 0.00 N ATOM 972 CA ASN A 63 3.846 -2.769 -9.196 1.00 0.00 C ATOM 973 C ASN A 63 2.479 -3.058 -8.570 1.00 0.00 C ATOM 974 O ASN A 63 1.613 -3.638 -9.192 1.00 0.00 O ATOM 975 CB ASN A 63 3.722 -1.597 -10.184 1.00 0.00 C ATOM 976 CG ASN A 63 2.732 -1.966 -11.287 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.126 -2.189 -12.411 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.453 -2.055 -11.015 1.00 0.00 N ATOM 0 H ASN A 63 3.716 -4.329 -10.657 1.00 0.00 H new ATOM 0 HA ASN A 63 4.557 -2.505 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.385 -0.701 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.696 -1.367 -10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.792 -2.311 -11.749 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.118 -1.868 -10.070 1.00 0.00 H new ATOM 985 N LEU A 64 2.279 -2.643 -7.340 1.00 0.00 N ATOM 986 CA LEU A 64 0.962 -2.868 -6.658 1.00 0.00 C ATOM 987 C LEU A 64 0.291 -1.505 -6.446 1.00 0.00 C ATOM 988 O LEU A 64 0.907 -0.572 -5.978 1.00 0.00 O ATOM 989 CB LEU A 64 1.192 -3.538 -5.290 1.00 0.00 C ATOM 990 CG LEU A 64 1.976 -4.854 -5.455 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.161 -5.523 -4.080 1.00 0.00 C ATOM 992 CD2 LEU A 64 1.226 -5.816 -6.392 1.00 0.00 C ATOM 0 H LEU A 64 2.975 -2.155 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 64 0.331 -3.514 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.741 -2.861 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.233 -3.737 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 64 2.949 -4.626 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.716 -6.454 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.714 -4.853 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.185 -5.736 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.795 -6.740 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.244 -6.040 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.106 -5.351 -7.371 1.00 0.00 H new ATOM 1004 N SER A 65 -0.973 -1.391 -6.779 1.00 0.00 N ATOM 1005 CA SER A 65 -1.712 -0.093 -6.589 1.00 0.00 C ATOM 1006 C SER A 65 -2.704 -0.286 -5.428 1.00 0.00 C ATOM 1007 O SER A 65 -3.219 -1.363 -5.241 1.00 0.00 O ATOM 1008 CB SER A 65 -2.468 0.256 -7.881 1.00 0.00 C ATOM 1009 OG SER A 65 -3.529 -0.669 -8.073 1.00 0.00 O ATOM 0 H SER A 65 -1.532 -2.145 -7.178 1.00 0.00 H new ATOM 0 HA SER A 65 -1.022 0.720 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.862 1.271 -7.822 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.788 0.227 -8.732 1.00 0.00 H new ATOM 0 HG SER A 65 -4.013 -0.446 -8.896 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.954 0.724 -4.620 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.899 0.534 -3.466 1.00 0.00 C ATOM 1017 C LEU A 66 -4.630 1.847 -3.132 1.00 0.00 C ATOM 1018 O LEU A 66 -4.252 2.918 -3.571 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.122 0.019 -2.236 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.741 0.698 -2.131 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.182 0.456 -0.722 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.740 0.126 -3.179 1.00 0.00 C ATOM 0 H LEU A 66 -2.552 1.657 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.650 -0.204 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.697 0.214 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.996 -1.061 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.864 1.763 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.205 0.930 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.861 0.881 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.082 -0.616 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.222 0.628 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.611 -0.944 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.130 0.293 -4.183 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.700 1.753 -2.369 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.497 2.972 -2.009 1.00 0.00 C ATOM 1036 C GLN A 67 -6.818 2.970 -0.507 1.00 0.00 C ATOM 1037 O GLN A 67 -7.616 2.184 -0.037 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.821 2.931 -2.758 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.566 2.908 -4.266 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.906 2.913 -5.006 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.874 2.350 -4.533 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -9.013 3.543 -6.147 1.00 0.00 N ATOM 0 H GLN A 67 -6.055 0.879 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.919 3.859 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.388 2.048 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.424 3.800 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.972 3.774 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.992 2.022 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.202 4.016 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.907 3.561 -6.638 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.216 3.856 0.247 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.498 3.920 1.722 1.00 0.00 C ATOM 1053 C PHE A 68 -7.651 4.892 2.013 1.00 0.00 C ATOM 1054 O PHE A 68 -8.762 4.497 2.307 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.229 4.367 2.480 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.380 5.263 1.591 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.712 4.713 0.488 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.254 6.633 1.867 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.924 5.526 -0.335 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.463 7.445 1.043 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.799 6.891 -0.057 1.00 0.00 C ATOM 0 H PHE A 68 -5.540 4.540 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.790 2.926 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.507 4.901 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.653 3.494 2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.806 3.659 0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.767 7.062 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.412 5.099 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.366 8.499 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.190 7.518 -0.692 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.374 6.165 1.951 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.417 7.194 2.240 1.00 0.00 C ATOM 1073 C PHE A 69 -8.206 8.396 1.317 1.00 0.00 C ATOM 1074 O PHE A 69 -7.557 9.355 1.687 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.271 7.637 3.703 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.258 8.744 4.011 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.629 8.486 3.964 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -8.803 10.028 4.344 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.549 9.505 4.239 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -9.721 11.053 4.624 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.096 10.791 4.571 1.00 0.00 C ATOM 0 H PHE A 69 -6.458 6.543 1.709 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.412 6.782 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.444 6.790 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.254 7.984 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.982 7.496 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.743 10.229 4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.609 9.301 4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.368 12.041 4.880 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.806 11.577 4.785 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.734 8.354 0.116 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.581 9.467 -0.857 1.00 0.00 C ATOM 1093 C PRO A 70 -9.672 10.526 -0.718 1.00 0.00 C ATOM 1094 O PRO A 70 -10.757 10.257 -0.243 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.699 8.741 -2.189 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.736 7.701 -1.937 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.530 7.250 -0.474 1.00 0.00 C ATOM 0 HA PRO A 70 -7.651 10.020 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.998 9.419 -2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.750 8.295 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.738 8.104 -2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.625 6.862 -2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.480 7.118 0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.001 6.298 -0.417 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.401 11.735 -1.130 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.444 12.778 -1.009 1.00 0.00 C ATOM 1107 C ALA A 71 -11.686 12.312 -1.765 1.00 0.00 C ATOM 1108 O ALA A 71 -12.798 12.459 -1.302 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.951 14.091 -1.612 1.00 0.00 C ATOM 0 H ALA A 71 -8.516 12.037 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.676 12.940 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.728 14.850 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.056 14.420 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.717 13.942 -2.666 1.00 0.00 H new ATOM 1115 N SER A 72 -11.499 11.735 -2.925 1.00 0.00 N ATOM 1116 CA SER A 72 -12.670 11.242 -3.711 1.00 0.00 C ATOM 1117 C SER A 72 -12.170 10.381 -4.886 1.00 0.00 C ATOM 1118 O SER A 72 -11.290 10.782 -5.621 1.00 0.00 O ATOM 1119 CB SER A 72 -13.472 12.443 -4.230 1.00 0.00 C ATOM 1120 OG SER A 72 -14.832 12.065 -4.383 1.00 0.00 O ATOM 0 H SER A 72 -10.589 11.584 -3.361 1.00 0.00 H new ATOM 0 HA SER A 72 -13.315 10.633 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.390 13.278 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.067 12.782 -5.184 1.00 0.00 H new ATOM 0 HG SER A 72 -15.349 12.830 -4.713 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.719 9.205 -5.069 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.264 8.328 -6.194 1.00 0.00 C ATOM 1128 C TRP A 73 -12.991 8.710 -7.479 1.00 0.00 C ATOM 1129 O TRP A 73 -12.439 9.361 -8.345 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.580 6.872 -5.850 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.107 5.939 -6.932 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -11.402 6.275 -8.052 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.312 4.501 -7.005 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.171 5.129 -8.789 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -11.707 4.011 -8.185 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -12.958 3.580 -6.161 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -11.743 2.656 -8.517 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -12.995 2.218 -6.492 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -12.388 1.755 -7.665 1.00 0.00 C ATOM 0 H TRP A 73 -13.462 8.814 -4.489 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.191 8.454 -6.339 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.104 6.608 -4.906 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.654 6.754 -5.710 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.079 7.271 -8.318 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.664 5.112 -9.674 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.429 3.924 -5.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.276 2.306 -9.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -13.496 1.521 -5.837 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -12.418 0.704 -7.911 1.00 0.00 H new ATOM 1150 N GLN A 74 -14.221 8.300 -7.622 1.00 0.00 N ATOM 1151 CA GLN A 74 -14.970 8.637 -8.862 1.00 0.00 C ATOM 1152 C GLN A 74 -15.575 10.051 -8.730 1.00 0.00 C ATOM 1153 O GLN A 74 -16.042 10.622 -9.693 1.00 0.00 O ATOM 1154 CB GLN A 74 -16.095 7.609 -9.078 1.00 0.00 C ATOM 1155 CG GLN A 74 -16.548 7.633 -10.546 1.00 0.00 C ATOM 1156 CD GLN A 74 -17.671 6.613 -10.760 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -17.448 5.426 -10.650 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -18.873 7.018 -11.072 1.00 0.00 N ATOM 0 H GLN A 74 -14.737 7.749 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.292 8.613 -9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.744 6.612 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.937 7.835 -8.424 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.895 8.631 -10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.706 7.403 -11.200 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -19.067 8.015 -11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.618 6.337 -11.222 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.569 10.627 -7.545 1.00 0.00 N ATOM 1168 CA GLY A 75 -16.150 11.999 -7.376 1.00 0.00 C ATOM 1169 C GLY A 75 -15.060 13.044 -7.620 1.00 0.00 C ATOM 1170 O GLY A 75 -13.958 12.716 -8.012 1.00 0.00 O ATOM 0 H GLY A 75 -15.190 10.208 -6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.974 12.146 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.560 12.112 -6.372 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.337 14.302 -7.388 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.273 15.335 -7.617 1.00 0.00 C ATOM 1176 C GLU A 76 -13.395 15.398 -6.372 1.00 0.00 C ATOM 1177 O GLU A 76 -13.886 15.532 -5.273 1.00 0.00 O ATOM 1178 CB GLU A 76 -14.907 16.711 -7.867 1.00 0.00 C ATOM 1179 CG GLU A 76 -15.652 17.177 -6.611 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.582 18.344 -6.969 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.090 19.457 -7.075 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -17.768 18.107 -7.131 1.00 0.00 O ATOM 0 H GLU A 76 -16.234 14.657 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.681 15.065 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.136 17.434 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.596 16.656 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.230 16.353 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.939 17.488 -5.847 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.102 15.273 -6.518 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.241 15.301 -5.301 1.00 0.00 C ATOM 1191 C GLN A 77 -11.200 16.706 -4.704 1.00 0.00 C ATOM 1192 O GLN A 77 -11.393 17.700 -5.378 1.00 0.00 O ATOM 1193 CB GLN A 77 -9.819 14.814 -5.612 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.280 15.490 -6.873 1.00 0.00 C ATOM 1195 CD GLN A 77 -9.126 16.993 -6.639 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -8.369 17.419 -5.787 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -9.828 17.823 -7.361 1.00 0.00 N ATOM 0 H GLN A 77 -11.614 15.155 -7.406 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.679 14.621 -4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.163 15.030 -4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.821 13.732 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.318 15.056 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.957 15.312 -7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.463 17.467 -8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.742 18.828 -7.211 1.00 0.00 H new ATOM 1206 N ARG A 78 -10.943 16.784 -3.429 1.00 0.00 N ATOM 1207 CA ARG A 78 -10.875 18.101 -2.736 1.00 0.00 C ATOM 1208 C ARG A 78 -9.406 18.471 -2.547 1.00 0.00 C ATOM 1209 O ARG A 78 -8.536 17.625 -2.591 1.00 0.00 O ATOM 1210 CB ARG A 78 -11.556 17.984 -1.371 1.00 0.00 C ATOM 1211 CG ARG A 78 -12.995 17.476 -1.542 1.00 0.00 C ATOM 1212 CD ARG A 78 -13.867 18.550 -2.202 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.298 18.164 -2.087 1.00 0.00 N ATOM 1214 CZ ARG A 78 -16.233 19.058 -2.251 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.924 20.305 -2.493 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.485 18.706 -2.172 1.00 0.00 N ATOM 0 H ARG A 78 -10.774 15.978 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.379 18.868 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.994 17.302 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.561 18.954 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.998 16.572 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.410 17.208 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.700 19.515 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.593 18.663 -3.251 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.549 17.197 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.945 20.585 -2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.662 20.998 -2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.731 17.734 -1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.220 19.402 -2.300 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.121 19.726 -2.361 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.704 20.150 -2.208 1.00 0.00 C ATOM 1232 C GLN A 79 -7.193 19.881 -0.794 1.00 0.00 C ATOM 1233 O GLN A 79 -6.049 20.140 -0.489 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.570 21.632 -2.576 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.311 22.526 -1.569 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.829 22.350 -1.743 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -10.586 22.495 -0.797 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.312 22.037 -2.920 1.00 0.00 N ATOM 0 H GLN A 79 -9.808 20.478 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.086 19.562 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.516 21.908 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.970 21.798 -3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.019 22.265 -0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.036 23.569 -1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.683 21.915 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.317 21.915 -3.043 1.00 0.00 H new ATOM 1247 N THR A 80 -8.001 19.344 0.072 1.00 0.00 N ATOM 1248 CA THR A 80 -7.495 19.048 1.443 1.00 0.00 C ATOM 1249 C THR A 80 -6.779 17.689 1.406 1.00 0.00 C ATOM 1250 O THR A 80 -7.281 16.749 0.824 1.00 0.00 O ATOM 1251 CB THR A 80 -8.672 18.968 2.422 1.00 0.00 C ATOM 1252 OG1 THR A 80 -8.171 18.833 3.746 1.00 0.00 O ATOM 1253 CG2 THR A 80 -9.562 17.759 2.096 1.00 0.00 C ATOM 0 H THR A 80 -8.976 19.099 -0.103 1.00 0.00 H new ATOM 0 HA THR A 80 -6.813 19.834 1.768 1.00 0.00 H new ATOM 0 HB THR A 80 -9.265 19.878 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.920 18.783 4.376 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.392 17.718 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.951 17.856 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.975 16.844 2.173 1.00 0.00 H new ATOM 1261 N PRO A 81 -5.633 17.551 2.021 1.00 0.00 N ATOM 1262 CA PRO A 81 -4.920 16.243 2.037 1.00 0.00 C ATOM 1263 C PRO A 81 -5.611 15.245 2.979 1.00 0.00 C ATOM 1264 O PRO A 81 -6.617 15.553 3.585 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.527 16.593 2.560 1.00 0.00 C ATOM 1266 CG PRO A 81 -3.729 17.810 3.402 1.00 0.00 C ATOM 1267 CD PRO A 81 -4.884 18.587 2.758 1.00 0.00 C ATOM 0 HA PRO A 81 -4.902 15.768 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.106 15.774 3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.835 16.789 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.968 17.537 4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.823 18.415 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.507 19.074 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.519 19.368 2.091 1.00 0.00 H new ATOM 1275 N SER A 82 -5.062 14.066 3.125 1.00 0.00 N ATOM 1276 CA SER A 82 -5.668 13.066 4.050 1.00 0.00 C ATOM 1277 C SER A 82 -5.150 13.340 5.459 1.00 0.00 C ATOM 1278 O SER A 82 -3.987 13.157 5.756 1.00 0.00 O ATOM 1279 CB SER A 82 -5.270 11.646 3.619 1.00 0.00 C ATOM 1280 OG SER A 82 -5.483 10.748 4.700 1.00 0.00 O ATOM 0 H SER A 82 -4.219 13.754 2.642 1.00 0.00 H new ATOM 0 HA SER A 82 -6.755 13.146 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.858 11.338 2.755 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.223 11.626 3.316 1.00 0.00 H new ATOM 0 HG SER A 82 -5.231 9.841 4.427 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.010 13.777 6.332 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.578 14.069 7.726 1.00 0.00 C ATOM 1288 C ARG A 83 -4.945 12.820 8.331 1.00 0.00 C ATOM 1289 O ARG A 83 -4.006 12.909 9.093 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.794 14.479 8.552 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.371 14.813 9.990 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.608 15.201 10.799 1.00 0.00 C ATOM 1293 NE ARG A 83 -7.216 15.536 12.198 1.00 0.00 N ATOM 1294 CZ ARG A 83 -8.049 16.182 12.967 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.256 16.435 12.540 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -7.688 16.531 14.175 1.00 0.00 N ATOM 0 H ARG A 83 -6.998 13.946 6.140 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.849 14.879 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.277 15.344 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.527 13.672 8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.878 13.954 10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.651 15.631 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.102 16.055 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.325 14.380 10.800 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.300 15.261 12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.543 16.128 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.912 16.940 13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.755 16.298 14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.339 17.036 14.776 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.449 11.666 8.004 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.864 10.415 8.575 1.00 0.00 C ATOM 1312 C GLU A 84 -3.375 10.313 8.213 1.00 0.00 C ATOM 1313 O GLU A 84 -2.595 9.712 8.925 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.592 9.187 8.015 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.073 9.228 8.402 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.203 9.176 9.922 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.165 10.233 10.529 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -7.335 8.086 10.454 1.00 0.00 O ATOM 0 H GLU A 84 -6.236 11.530 7.370 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.978 10.448 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.493 9.160 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.133 8.276 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.535 10.137 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.601 8.387 7.952 1.00 0.00 H new ATOM 1325 N TYR A 85 -2.977 10.848 7.093 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.538 10.733 6.670 1.00 0.00 C ATOM 1327 C TYR A 85 -0.614 11.537 7.600 1.00 0.00 C ATOM 1328 O TYR A 85 0.483 11.108 7.911 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.423 11.161 5.176 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.606 12.435 4.937 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.774 12.450 5.176 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.223 13.576 4.397 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.531 13.595 4.882 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.467 14.723 4.115 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.913 14.729 4.353 1.00 0.00 C ATOM 1336 OH TYR A 85 1.662 15.855 4.063 1.00 0.00 O ATOM 0 H TYR A 85 -3.578 11.360 6.448 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.204 9.699 6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.972 10.345 4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.426 11.308 4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.258 11.577 5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.285 13.570 4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.595 13.598 5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.949 15.602 3.714 1.00 0.00 H new ATOM 0 HH TYR A 85 1.077 16.553 3.701 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.041 12.676 8.070 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.177 13.472 8.993 1.00 0.00 C ATOM 1348 C VAL A 86 -0.444 13.029 10.435 1.00 0.00 C ATOM 1349 O VAL A 86 0.009 13.646 11.381 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.482 14.975 8.831 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.681 15.813 9.382 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.692 15.306 7.342 1.00 0.00 C ATOM 0 H VAL A 86 -1.948 13.091 7.857 1.00 0.00 H new ATOM 0 HA VAL A 86 0.873 13.303 8.752 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.388 15.212 9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.455 16.873 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.822 15.589 10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.593 15.573 8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.907 16.369 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.211 15.059 6.784 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.529 14.725 6.955 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.166 11.949 10.611 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.447 11.452 11.993 1.00 0.00 C ATOM 1364 C ASP A 87 -0.405 10.399 12.305 1.00 0.00 C ATOM 1365 O ASP A 87 -0.236 9.988 13.437 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.872 10.843 12.066 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.887 9.330 11.760 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.222 8.587 12.465 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.593 8.941 10.852 1.00 0.00 O ATOM 0 H ASP A 87 -1.572 11.392 9.859 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.401 12.266 12.716 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.285 11.013 13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.521 11.360 11.358 1.00 0.00 H new ATOM 1374 N LEU A 88 0.310 9.962 11.293 1.00 0.00 N ATOM 1375 CA LEU A 88 1.374 8.932 11.502 1.00 0.00 C ATOM 1376 C LEU A 88 2.722 9.572 11.209 1.00 0.00 C ATOM 1377 O LEU A 88 3.763 9.038 11.539 1.00 0.00 O ATOM 1378 CB LEU A 88 1.148 7.692 10.615 1.00 0.00 C ATOM 1379 CG LEU A 88 0.516 8.070 9.260 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.606 8.552 8.316 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.151 6.837 8.634 1.00 0.00 C ATOM 0 H LEU A 88 0.200 10.277 10.329 1.00 0.00 H new ATOM 0 HA LEU A 88 1.342 8.585 12.535 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.099 7.187 10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.501 6.986 11.135 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.225 8.853 9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.164 8.820 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.099 9.424 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.337 7.757 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.596 7.110 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.596 6.059 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.928 6.465 9.302 1.00 0.00 H new ATOM 1393 N GLU A 89 2.707 10.733 10.624 1.00 0.00 N ATOM 1394 CA GLU A 89 3.980 11.435 10.350 1.00 0.00 C ATOM 1395 C GLU A 89 4.473 11.996 11.668 1.00 0.00 C ATOM 1396 O GLU A 89 5.649 11.997 11.971 1.00 0.00 O ATOM 1397 CB GLU A 89 3.718 12.572 9.360 1.00 0.00 C ATOM 1398 CG GLU A 89 5.016 13.342 9.086 1.00 0.00 C ATOM 1399 CD GLU A 89 6.103 12.381 8.603 1.00 0.00 C ATOM 1400 OE1 GLU A 89 5.762 11.425 7.939 1.00 0.00 O ATOM 1401 OE2 GLU A 89 7.256 12.607 8.926 1.00 0.00 O ATOM 0 H GLU A 89 1.865 11.225 10.324 1.00 0.00 H new ATOM 0 HA GLU A 89 4.723 10.763 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.321 12.169 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.963 13.248 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.840 14.112 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.345 13.850 9.992 1.00 0.00 H new ATOM 1408 N ARG A 90 3.564 12.432 12.481 1.00 0.00 N ATOM 1409 CA ARG A 90 3.963 12.945 13.807 1.00 0.00 C ATOM 1410 C ARG A 90 4.644 11.819 14.579 1.00 0.00 C ATOM 1411 O ARG A 90 5.466 12.051 15.442 1.00 0.00 O ATOM 1412 CB ARG A 90 2.739 13.424 14.589 1.00 0.00 C ATOM 1413 CG ARG A 90 2.123 14.631 13.888 1.00 0.00 C ATOM 1414 CD ARG A 90 1.035 15.217 14.779 1.00 0.00 C ATOM 1415 NE ARG A 90 1.658 15.773 16.012 1.00 0.00 N ATOM 1416 CZ ARG A 90 0.973 16.544 16.805 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.261 16.855 16.516 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.533 17.012 17.889 1.00 0.00 N ATOM 0 H ARG A 90 2.563 12.455 12.284 1.00 0.00 H new ATOM 0 HA ARG A 90 4.643 13.787 13.677 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.006 12.621 14.664 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.026 13.689 15.607 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.888 15.380 13.685 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.704 14.335 12.926 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.494 15.999 14.246 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.308 14.448 15.040 1.00 0.00 H new ATOM 0 HE ARG A 90 2.627 15.548 16.236 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.692 16.493 15.665 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.794 17.460 17.141 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.500 16.772 18.108 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.003 17.617 18.516 1.00 0.00 H new ATOM 1432 N GLU A 91 4.277 10.602 14.299 1.00 0.00 N ATOM 1433 CA GLU A 91 4.875 9.460 15.050 1.00 0.00 C ATOM 1434 C GLU A 91 6.315 9.150 14.595 1.00 0.00 C ATOM 1435 O GLU A 91 7.247 9.823 14.980 1.00 0.00 O ATOM 1436 CB GLU A 91 3.982 8.223 14.869 1.00 0.00 C ATOM 1437 CG GLU A 91 4.452 7.120 15.816 1.00 0.00 C ATOM 1438 CD GLU A 91 3.529 5.906 15.683 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.439 6.070 15.162 1.00 0.00 O ATOM 1440 OE2 GLU A 91 3.928 4.833 16.108 1.00 0.00 O ATOM 0 H GLU A 91 3.593 10.347 13.587 1.00 0.00 H new ATOM 0 HA GLU A 91 4.930 9.737 16.103 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.942 8.477 15.075 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.026 7.876 13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.478 6.837 15.581 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.448 7.482 16.844 1.00 0.00 H new ATOM 1447 N ALA A 92 6.506 8.117 13.815 1.00 0.00 N ATOM 1448 CA ALA A 92 7.887 7.726 13.380 1.00 0.00 C ATOM 1449 C ALA A 92 8.609 8.879 12.703 1.00 0.00 C ATOM 1450 O ALA A 92 9.817 8.863 12.565 1.00 0.00 O ATOM 1451 CB ALA A 92 7.792 6.575 12.380 1.00 0.00 C ATOM 0 H ALA A 92 5.760 7.521 13.456 1.00 0.00 H new ATOM 0 HA ALA A 92 8.445 7.434 14.270 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.794 6.287 12.061 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.302 5.723 12.851 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.212 6.893 11.513 1.00 0.00 H new ATOM 1457 N GLY A 93 7.890 9.842 12.227 1.00 0.00 N ATOM 1458 CA GLY A 93 8.548 10.954 11.492 1.00 0.00 C ATOM 1459 C GLY A 93 8.613 10.496 10.040 1.00 0.00 C ATOM 1460 O GLY A 93 9.442 10.929 9.263 1.00 0.00 O ATOM 0 H GLY A 93 6.876 9.913 12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.979 11.879 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.545 11.151 11.887 1.00 0.00 H new ATOM 1464 N LYS A 94 7.731 9.585 9.699 1.00 0.00 N ATOM 1465 CA LYS A 94 7.680 9.016 8.317 1.00 0.00 C ATOM 1466 C LYS A 94 6.210 8.887 7.883 1.00 0.00 C ATOM 1467 O LYS A 94 5.317 8.849 8.708 1.00 0.00 O ATOM 1468 CB LYS A 94 8.290 7.614 8.345 1.00 0.00 C ATOM 1469 CG LYS A 94 9.671 7.662 8.980 1.00 0.00 C ATOM 1470 CD LYS A 94 10.331 6.301 8.809 1.00 0.00 C ATOM 1471 CE LYS A 94 11.778 6.368 9.299 1.00 0.00 C ATOM 1472 NZ LYS A 94 11.804 6.685 10.755 1.00 0.00 N ATOM 0 H LYS A 94 7.030 9.206 10.336 1.00 0.00 H new ATOM 0 HA LYS A 94 8.225 9.662 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.645 6.939 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.360 7.218 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.276 8.438 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.593 7.914 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.781 5.546 9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.305 6.002 7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.278 5.417 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.325 7.129 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.754 6.499 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.565 7.687 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.110 6.091 11.252 1.00 0.00 H new ATOM 1486 N VAL A 95 5.949 8.795 6.600 1.00 0.00 N ATOM 1487 CA VAL A 95 4.537 8.649 6.115 1.00 0.00 C ATOM 1488 C VAL A 95 4.337 7.238 5.565 1.00 0.00 C ATOM 1489 O VAL A 95 5.055 6.806 4.683 1.00 0.00 O ATOM 1490 CB VAL A 95 4.273 9.661 4.990 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.838 9.492 4.472 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.447 11.076 5.533 1.00 0.00 C ATOM 0 H VAL A 95 6.655 8.815 5.865 1.00 0.00 H new ATOM 0 HA VAL A 95 3.850 8.829 6.942 1.00 0.00 H new ATOM 0 HB VAL A 95 4.977 9.489 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.652 10.211 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.707 8.481 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.134 9.664 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.260 11.797 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.741 11.243 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.464 11.201 5.904 1.00 0.00 H new ATOM 1502 N TYR A 96 3.370 6.510 6.065 1.00 0.00 N ATOM 1503 CA TYR A 96 3.140 5.136 5.538 1.00 0.00 C ATOM 1504 C TYR A 96 1.649 4.830 5.479 1.00 0.00 C ATOM 1505 O TYR A 96 0.846 5.462 6.134 1.00 0.00 O ATOM 1506 CB TYR A 96 3.883 4.123 6.409 1.00 0.00 C ATOM 1507 CG TYR A 96 3.300 3.985 7.795 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.707 4.852 8.814 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.403 2.944 8.075 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.208 4.688 10.111 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.908 2.773 9.370 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.308 3.644 10.392 1.00 0.00 C ATOM 1513 OH TYR A 96 1.818 3.479 11.672 1.00 0.00 O ATOM 0 H TYR A 96 2.737 6.806 6.808 1.00 0.00 H new ATOM 0 HA TYR A 96 3.529 5.068 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.867 3.150 5.917 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.928 4.422 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.406 5.647 8.600 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.094 2.273 7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.514 5.363 10.897 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.218 1.970 9.583 1.00 0.00 H new ATOM 0 HH TYR A 96 1.208 2.712 11.692 1.00 0.00 H new ATOM 1523 N LEU A 97 1.278 3.860 4.684 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.160 3.490 4.551 1.00 0.00 C ATOM 1525 C LEU A 97 -0.277 1.968 4.666 1.00 0.00 C ATOM 1526 O LEU A 97 0.571 1.220 4.181 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.695 3.965 3.176 1.00 0.00 C ATOM 1528 CG LEU A 97 0.464 4.031 2.138 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.054 3.726 0.721 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.124 5.431 2.161 1.00 0.00 C ATOM 0 H LEU A 97 1.917 3.304 4.116 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.749 3.967 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.469 3.283 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.158 4.947 3.278 1.00 0.00 H new ATOM 0 HG LEU A 97 1.205 3.279 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.773 3.778 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.488 2.726 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.814 4.458 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.933 5.464 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.380 6.188 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.525 5.628 3.155 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.329 1.517 5.299 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.560 0.057 5.467 1.00 0.00 C ATOM 1544 C LYS A 98 -2.995 -0.240 5.040 1.00 0.00 C ATOM 1545 O LYS A 98 -3.910 0.472 5.400 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.347 -0.304 6.945 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.453 0.361 7.781 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.119 0.319 9.282 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.578 -1.012 9.885 1.00 0.00 C ATOM 1550 NZ LYS A 98 -4.063 -1.024 9.987 1.00 0.00 N ATOM 0 H LYS A 98 -2.048 2.111 5.712 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.871 -0.531 4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.373 -1.386 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.366 0.035 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.580 1.396 7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.401 -0.146 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.046 0.442 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.608 1.147 9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.239 -1.841 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.134 -1.149 10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.354 -1.679 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.403 -0.067 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.471 -1.334 9.082 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.203 -1.273 4.256 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.598 -1.578 3.799 1.00 0.00 C ATOM 1566 C ALA A 99 -4.714 -3.056 3.382 1.00 0.00 C ATOM 1567 O ALA A 99 -3.799 -3.599 2.804 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.920 -0.710 2.573 1.00 0.00 C ATOM 0 H ALA A 99 -2.481 -1.909 3.917 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.289 -1.373 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.933 -0.924 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.842 0.343 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.213 -0.933 1.774 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.845 -3.693 3.603 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.064 -5.109 3.166 1.00 0.00 C ATOM 1576 C PRO A 100 -6.538 -5.155 1.701 1.00 0.00 C ATOM 1577 O PRO A 100 -7.699 -4.939 1.421 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.183 -5.562 4.098 1.00 0.00 C ATOM 1579 CG PRO A 100 -8.028 -4.338 4.253 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.039 -3.164 4.298 1.00 0.00 C ATOM 0 HA PRO A 100 -5.168 -5.728 3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.750 -6.389 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.793 -5.904 5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.725 -4.233 3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.624 -4.385 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.438 -2.283 3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.810 -2.871 5.323 1.00 0.00 H new ATOM 1588 N MET A 101 -5.657 -5.399 0.764 1.00 0.00 N ATOM 1589 CA MET A 101 -6.084 -5.410 -0.680 1.00 0.00 C ATOM 1590 C MET A 101 -6.449 -6.816 -1.169 1.00 0.00 C ATOM 1591 O MET A 101 -5.639 -7.716 -1.144 1.00 0.00 O ATOM 1592 CB MET A 101 -4.927 -4.868 -1.543 1.00 0.00 C ATOM 1593 CG MET A 101 -5.164 -5.190 -3.031 1.00 0.00 C ATOM 1594 SD MET A 101 -4.283 -3.993 -4.062 1.00 0.00 S ATOM 1595 CE MET A 101 -5.618 -2.780 -4.197 1.00 0.00 C ATOM 0 H MET A 101 -4.669 -5.590 0.928 1.00 0.00 H new ATOM 0 HA MET A 101 -6.973 -4.786 -0.770 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.839 -3.790 -1.408 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.985 -5.308 -1.216 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.819 -6.200 -3.254 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.231 -5.161 -3.254 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.487 -2.195 -5.107 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.577 -3.297 -4.233 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.595 -2.116 -3.333 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.645 -6.989 -1.690 1.00 0.00 N ATOM 1606 CA ILE A 102 -8.022 -8.312 -2.262 1.00 0.00 C ATOM 1607 C ILE A 102 -7.701 -8.303 -3.754 1.00 0.00 C ATOM 1608 O ILE A 102 -8.069 -7.409 -4.488 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.513 -8.638 -2.032 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.368 -7.378 -2.156 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.716 -9.257 -0.646 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.846 -7.788 -2.127 1.00 0.00 C ATOM 0 H ILE A 102 -8.368 -6.271 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.450 -9.089 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.823 -9.352 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -10.150 -6.690 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.138 -6.854 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.772 -9.481 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.136 -10.177 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.384 -8.554 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.472 -6.900 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -12.053 -8.461 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -12.065 -8.295 -1.187 1.00 0.00 H new ATOM 1624 N LEU A 103 -7.017 -9.315 -4.183 1.00 0.00 N ATOM 1625 CA LEU A 103 -6.636 -9.458 -5.617 1.00 0.00 C ATOM 1626 C LEU A 103 -7.313 -10.716 -6.147 1.00 0.00 C ATOM 1627 O LEU A 103 -8.075 -11.335 -5.437 1.00 0.00 O ATOM 1628 CB LEU A 103 -5.107 -9.555 -5.758 1.00 0.00 C ATOM 1629 CG LEU A 103 -4.467 -10.382 -4.621 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -4.438 -9.585 -3.294 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -5.209 -11.716 -4.423 1.00 0.00 C ATOM 0 H LEU A 103 -6.693 -10.076 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.958 -8.589 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.861 -10.009 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.680 -8.552 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.439 -10.597 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.982 -10.194 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.856 -8.674 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.456 -9.325 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.738 -12.278 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.250 -11.519 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.165 -12.297 -5.344 1.00 0.00 H new ATOM 1643 N ASN A 104 -7.081 -11.087 -7.382 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.752 -12.310 -7.928 1.00 0.00 C ATOM 1645 C ASN A 104 -7.372 -13.524 -7.073 1.00 0.00 C ATOM 1646 O ASN A 104 -6.705 -14.435 -7.520 1.00 0.00 O ATOM 1647 CB ASN A 104 -7.294 -12.541 -9.372 1.00 0.00 C ATOM 1648 CG ASN A 104 -8.267 -13.492 -10.078 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.043 -14.683 -10.146 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -9.346 -13.002 -10.613 1.00 0.00 N ATOM 0 H ASN A 104 -6.462 -10.602 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.833 -12.173 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.248 -11.591 -9.905 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.288 -12.961 -9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.004 -13.618 -11.090 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.534 -12.001 -10.556 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.802 -13.524 -5.842 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.503 -14.640 -4.912 1.00 0.00 C ATOM 1659 C GLY A 105 -8.166 -14.349 -3.561 1.00 0.00 C ATOM 1660 O GLY A 105 -9.320 -14.653 -3.343 1.00 0.00 O ATOM 0 H GLY A 105 -8.363 -12.775 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.874 -15.580 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.426 -14.749 -4.788 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.430 -13.748 -2.654 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.988 -13.416 -1.306 1.00 0.00 C ATOM 1666 C VAL A 106 -7.269 -12.165 -0.778 1.00 0.00 C ATOM 1667 O VAL A 106 -6.472 -11.561 -1.467 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.812 -14.602 -0.320 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -9.048 -14.724 0.582 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.631 -15.915 -1.097 1.00 0.00 C ATOM 0 H VAL A 106 -6.458 -13.472 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.057 -13.224 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.929 -14.414 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.915 -15.559 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.176 -13.802 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.931 -14.898 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.508 -16.739 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.509 -16.094 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.747 -15.844 -1.731 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.566 -11.762 0.429 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.924 -10.534 0.992 1.00 0.00 C ATOM 1682 C CYS A 107 -5.455 -10.776 1.337 1.00 0.00 C ATOM 1683 O CYS A 107 -5.074 -11.812 1.840 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.669 -10.108 2.258 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.104 -11.580 3.179 1.00 0.00 S ATOM 0 H CYS A 107 -8.226 -12.229 1.051 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.974 -9.751 0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.043 -9.452 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.565 -9.544 1.999 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.521 -12.613 2.647 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.646 -9.777 1.099 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.193 -9.838 1.429 1.00 0.00 C ATOM 1693 C VAL A 108 -2.906 -8.533 2.174 1.00 0.00 C ATOM 1694 O VAL A 108 -3.543 -7.537 1.896 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.373 -9.964 0.129 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.397 -8.657 -0.668 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.931 -10.367 0.456 1.00 0.00 C ATOM 0 H VAL A 108 -4.942 -8.897 0.677 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.923 -10.699 2.041 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.827 -10.739 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.811 -8.776 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.426 -8.408 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.972 -7.855 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.359 -10.454 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.477 -9.609 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.930 -11.326 0.975 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.022 -8.508 3.144 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.819 -7.234 3.914 1.00 0.00 C ATOM 1709 C ILE A 109 -0.603 -6.452 3.397 1.00 0.00 C ATOM 1710 O ILE A 109 0.528 -6.877 3.494 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.643 -7.601 5.404 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.011 -6.402 6.290 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.195 -8.022 5.698 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.934 -6.809 7.771 1.00 0.00 C ATOM 0 H ILE A 109 -1.442 -9.296 3.433 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.686 -6.586 3.784 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.305 -8.438 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.332 -5.572 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.016 -6.055 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.097 -8.275 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.062 -8.890 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.479 -7.199 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.196 -5.956 8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.631 -7.625 7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.921 -7.135 8.007 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.847 -5.295 2.855 1.00 0.00 N ATOM 1727 CA TRP A 110 0.258 -4.446 2.332 1.00 0.00 C ATOM 1728 C TRP A 110 0.423 -3.236 3.255 1.00 0.00 C ATOM 1729 O TRP A 110 -0.526 -2.535 3.541 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.128 -3.995 0.925 1.00 0.00 C ATOM 1731 CG TRP A 110 1.062 -3.410 0.232 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.864 -4.075 -0.639 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.591 -2.058 0.317 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.858 -3.218 -1.073 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.724 -1.966 -0.520 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.201 -0.914 1.036 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.443 -0.789 -0.644 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.925 0.283 0.910 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.043 0.345 0.070 1.00 0.00 C ATOM 0 H TRP A 110 -1.779 -4.895 2.750 1.00 0.00 H new ATOM 0 HA TRP A 110 1.200 -4.993 2.297 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.512 -4.841 0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.928 -3.257 0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.745 -5.105 -0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.599 -3.482 -1.723 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.341 -0.956 1.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.308 -0.747 -1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.618 1.158 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.596 1.268 -0.027 1.00 0.00 H new ATOM 1750 N LYS A 111 1.611 -2.978 3.729 1.00 0.00 N ATOM 1751 CA LYS A 111 1.816 -1.812 4.634 1.00 0.00 C ATOM 1752 C LYS A 111 3.221 -1.255 4.432 1.00 0.00 C ATOM 1753 O LYS A 111 4.072 -1.305 5.295 1.00 0.00 O ATOM 1754 CB LYS A 111 1.582 -2.236 6.086 1.00 0.00 C ATOM 1755 CG LYS A 111 2.407 -3.475 6.410 1.00 0.00 C ATOM 1756 CD LYS A 111 2.019 -3.988 7.796 1.00 0.00 C ATOM 1757 CE LYS A 111 3.052 -5.015 8.259 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.118 -6.141 7.279 1.00 0.00 N ATOM 0 H LYS A 111 2.449 -3.524 3.529 1.00 0.00 H new ATOM 0 HA LYS A 111 1.100 -1.025 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.854 -1.423 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.524 -2.442 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.234 -4.248 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.470 -3.236 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.970 -3.160 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.028 -4.440 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.030 -4.544 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.785 -5.394 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.348 -7.023 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.199 -6.242 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.854 -5.943 6.571 1.00 0.00 H new ATOM 1772 N GLY A 112 3.442 -0.716 3.276 1.00 0.00 N ATOM 1773 CA GLY A 112 4.765 -0.130 2.947 1.00 0.00 C ATOM 1774 C GLY A 112 4.941 1.197 3.669 1.00 0.00 C ATOM 1775 O GLY A 112 3.979 1.858 4.006 1.00 0.00 O ATOM 0 H GLY A 112 2.750 -0.654 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.559 -0.819 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.848 0.019 1.870 1.00 0.00 H new ATOM 1779 N TRP A 113 6.164 1.608 3.880 1.00 0.00 N ATOM 1780 CA TRP A 113 6.416 2.918 4.555 1.00 0.00 C ATOM 1781 C TRP A 113 7.553 3.656 3.852 1.00 0.00 C ATOM 1782 O TRP A 113 8.347 3.073 3.138 1.00 0.00 O ATOM 1783 CB TRP A 113 6.755 2.711 6.044 1.00 0.00 C ATOM 1784 CG TRP A 113 7.869 1.736 6.233 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.693 0.420 6.495 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.316 1.966 6.214 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.932 -0.174 6.642 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.962 0.732 6.475 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.127 3.105 5.999 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.350 0.630 6.524 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.531 2.999 6.047 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.137 1.764 6.310 1.00 0.00 C ATOM 0 H TRP A 113 7.002 1.092 3.613 1.00 0.00 H new ATOM 0 HA TRP A 113 5.509 3.519 4.493 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.030 3.667 6.490 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.870 2.357 6.572 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.741 -0.083 6.576 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.070 -1.163 6.849 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.667 4.061 5.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.816 -0.323 6.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.142 3.874 5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.214 1.688 6.347 1.00 0.00 H new ATOM 1803 N ILE A 114 7.622 4.950 4.054 1.00 0.00 N ATOM 1804 CA ILE A 114 8.687 5.776 3.414 1.00 0.00 C ATOM 1805 C ILE A 114 8.964 6.961 4.324 1.00 0.00 C ATOM 1806 O ILE A 114 8.088 7.463 5.003 1.00 0.00 O ATOM 1807 CB ILE A 114 8.253 6.315 2.032 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.848 6.964 2.118 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.282 5.208 0.973 1.00 0.00 C ATOM 1810 CD1 ILE A 114 5.733 5.939 1.852 1.00 0.00 C ATOM 0 H ILE A 114 6.975 5.473 4.644 1.00 0.00 H new ATOM 0 HA ILE A 114 9.569 5.152 3.269 1.00 0.00 H new ATOM 0 HB ILE A 114 8.966 7.082 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.710 7.404 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.777 7.776 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.972 5.616 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.294 4.811 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.601 4.408 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.763 6.431 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.856 5.518 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.788 5.141 2.592 1.00 0.00 H new ATOM 1822 N ASP A 115 10.179 7.406 4.353 1.00 0.00 N ATOM 1823 CA ASP A 115 10.524 8.551 5.230 1.00 0.00 C ATOM 1824 C ASP A 115 10.090 9.858 4.567 1.00 0.00 C ATOM 1825 O ASP A 115 9.871 9.924 3.377 1.00 0.00 O ATOM 1826 CB ASP A 115 12.024 8.541 5.495 1.00 0.00 C ATOM 1827 CG ASP A 115 12.331 9.406 6.722 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.466 10.172 7.115 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.424 9.285 7.250 1.00 0.00 O ATOM 0 H ASP A 115 10.953 7.027 3.807 1.00 0.00 H new ATOM 0 HA ASP A 115 10.000 8.465 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.368 7.520 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.560 8.921 4.625 1.00 0.00 H new ATOM 1834 N LEU A 116 9.935 10.890 5.347 1.00 0.00 N ATOM 1835 CA LEU A 116 9.477 12.196 4.802 1.00 0.00 C ATOM 1836 C LEU A 116 10.493 12.744 3.792 1.00 0.00 C ATOM 1837 O LEU A 116 10.154 13.561 2.960 1.00 0.00 O ATOM 1838 CB LEU A 116 9.293 13.175 5.975 1.00 0.00 C ATOM 1839 CG LEU A 116 8.423 14.385 5.557 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.812 15.033 6.809 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.253 15.433 4.769 1.00 0.00 C ATOM 0 H LEU A 116 10.109 10.883 6.352 1.00 0.00 H new ATOM 0 HA LEU A 116 8.530 12.067 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.826 12.659 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.267 13.524 6.318 1.00 0.00 H new ATOM 0 HG LEU A 116 7.629 14.027 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.199 15.885 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.193 14.303 7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.610 15.371 7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.612 16.270 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.070 15.794 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.660 14.972 3.869 1.00 0.00 H new ATOM 1853 N HIS A 117 11.738 12.319 3.854 1.00 0.00 N ATOM 1854 CA HIS A 117 12.760 12.850 2.888 1.00 0.00 C ATOM 1855 C HIS A 117 12.993 11.864 1.735 1.00 0.00 C ATOM 1856 O HIS A 117 12.748 12.194 0.588 1.00 0.00 O ATOM 1857 CB HIS A 117 14.078 13.164 3.631 1.00 0.00 C ATOM 1858 CG HIS A 117 14.970 11.952 3.761 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.173 11.836 3.075 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.884 10.838 4.550 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.759 10.694 3.477 1.00 0.00 C ATOM 1862 NE2 HIS A 117 16.013 10.046 4.376 1.00 0.00 N ATOM 0 H HIS A 117 12.088 11.635 4.525 1.00 0.00 H new ATOM 0 HA HIS A 117 12.381 13.775 2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.613 13.950 3.099 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.849 13.551 4.624 1.00 0.00 H new ATOM 0 HD1 HIS A 117 16.544 12.496 2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.061 10.608 5.210 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.715 10.344 3.117 1.00 0.00 H new ATOM 1870 N ARG A 118 13.472 10.669 2.002 1.00 0.00 N ATOM 1871 CA ARG A 118 13.720 9.704 0.884 1.00 0.00 C ATOM 1872 C ARG A 118 12.501 8.799 0.687 1.00 0.00 C ATOM 1873 O ARG A 118 12.059 8.111 1.586 1.00 0.00 O ATOM 1874 CB ARG A 118 14.975 8.852 1.170 1.00 0.00 C ATOM 1875 CG ARG A 118 14.716 7.818 2.281 1.00 0.00 C ATOM 1876 CD ARG A 118 16.055 7.178 2.719 1.00 0.00 C ATOM 1877 NE ARG A 118 15.854 5.755 3.150 1.00 0.00 N ATOM 1878 CZ ARG A 118 14.904 5.414 3.969 1.00 0.00 C ATOM 1879 NH1 ARG A 118 14.197 6.319 4.576 1.00 0.00 N ATOM 1880 NH2 ARG A 118 14.683 4.157 4.211 1.00 0.00 N ATOM 0 H ARG A 118 13.699 10.325 2.935 1.00 0.00 H new ATOM 0 HA ARG A 118 13.889 10.272 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.283 8.339 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.799 9.503 1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.235 8.298 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.033 7.048 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.767 7.215 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.486 7.753 3.539 1.00 0.00 H new ATOM 0 HE ARG A 118 16.480 5.035 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.385 7.308 4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.454 6.041 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.254 3.443 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.939 3.884 4.853 1.00 0.00 H new ATOM 1894 N LEU A 119 11.956 8.804 -0.495 1.00 0.00 N ATOM 1895 CA LEU A 119 10.770 7.953 -0.783 1.00 0.00 C ATOM 1896 C LEU A 119 11.198 6.517 -1.118 1.00 0.00 C ATOM 1897 O LEU A 119 10.397 5.724 -1.562 1.00 0.00 O ATOM 1898 CB LEU A 119 9.984 8.532 -1.959 1.00 0.00 C ATOM 1899 CG LEU A 119 9.474 9.953 -1.629 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.643 10.469 -2.808 1.00 0.00 C ATOM 1901 CD2 LEU A 119 8.591 9.926 -0.368 1.00 0.00 C ATOM 0 H LEU A 119 12.284 9.366 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 119 10.141 7.936 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 119 10.618 8.564 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.140 7.883 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 119 10.329 10.606 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.278 11.472 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.263 10.499 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.796 9.804 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.239 10.934 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 119 7.735 9.272 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.172 9.553 0.475 1.00 0.00 H new ATOM 1913 N ASP A 120 12.444 6.173 -0.913 1.00 0.00 N ATOM 1914 CA ASP A 120 12.915 4.775 -1.240 1.00 0.00 C ATOM 1915 C ASP A 120 12.842 3.927 0.024 1.00 0.00 C ATOM 1916 O ASP A 120 13.814 3.351 0.478 1.00 0.00 O ATOM 1917 CB ASP A 120 14.361 4.810 -1.774 1.00 0.00 C ATOM 1918 CG ASP A 120 15.347 5.183 -0.659 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.902 5.461 0.439 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.538 5.172 -0.926 1.00 0.00 O ATOM 0 H ASP A 120 13.161 6.792 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 120 12.277 4.343 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.624 3.836 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.435 5.532 -2.587 1.00 0.00 H new ATOM 1925 N GLY A 121 11.681 3.881 0.601 1.00 0.00 N ATOM 1926 CA GLY A 121 11.472 3.118 1.863 1.00 0.00 C ATOM 1927 C GLY A 121 11.560 1.611 1.642 1.00 0.00 C ATOM 1928 O GLY A 121 12.159 1.132 0.699 1.00 0.00 O ATOM 0 H GLY A 121 10.847 4.349 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.218 3.421 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.496 3.367 2.279 1.00 0.00 H new ATOM 1932 N MET A 122 10.940 0.874 2.529 1.00 0.00 N ATOM 1933 CA MET A 122 10.920 -0.611 2.452 1.00 0.00 C ATOM 1934 C MET A 122 9.495 -1.036 2.793 1.00 0.00 C ATOM 1935 O MET A 122 8.800 -0.354 3.521 1.00 0.00 O ATOM 1936 CB MET A 122 11.903 -1.196 3.490 1.00 0.00 C ATOM 1937 CG MET A 122 11.959 -2.725 3.376 1.00 0.00 C ATOM 1938 SD MET A 122 12.891 -3.205 1.903 1.00 0.00 S ATOM 1939 CE MET A 122 14.539 -2.687 2.450 1.00 0.00 C ATOM 0 H MET A 122 10.432 1.257 3.327 1.00 0.00 H new ATOM 0 HA MET A 122 11.216 -0.967 1.465 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.897 -0.777 3.334 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.591 -0.912 4.495 1.00 0.00 H new ATOM 0 HG2 MET A 122 12.427 -3.147 4.265 1.00 0.00 H new ATOM 0 HG3 MET A 122 10.949 -3.131 3.325 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.292 -3.336 2.003 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.718 -1.657 2.140 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.600 -2.755 3.536 1.00 0.00 H new ATOM 1949 N GLY A 123 9.034 -2.132 2.269 1.00 0.00 N ATOM 1950 CA GLY A 123 7.634 -2.550 2.573 1.00 0.00 C ATOM 1951 C GLY A 123 7.473 -4.057 2.390 1.00 0.00 C ATOM 1952 O GLY A 123 7.527 -4.572 1.293 1.00 0.00 O ATOM 0 H GLY A 123 9.555 -2.753 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.380 -2.273 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.941 -2.022 1.918 1.00 0.00 H new ATOM 1956 N CYS A 124 7.273 -4.766 3.462 1.00 0.00 N ATOM 1957 CA CYS A 124 7.092 -6.237 3.358 1.00 0.00 C ATOM 1958 C CYS A 124 5.621 -6.555 3.057 1.00 0.00 C ATOM 1959 O CYS A 124 4.721 -5.894 3.536 1.00 0.00 O ATOM 1960 CB CYS A 124 7.497 -6.870 4.689 1.00 0.00 C ATOM 1961 SG CYS A 124 6.430 -6.220 5.998 1.00 0.00 S ATOM 0 H CYS A 124 7.227 -4.389 4.409 1.00 0.00 H new ATOM 0 HA CYS A 124 7.710 -6.636 2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 124 7.406 -7.955 4.633 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.541 -6.648 4.909 1.00 0.00 H new ATOM 0 HG CYS A 124 5.436 -7.035 6.192 1.00 0.00 H new ATOM 1967 N LEU A 125 5.375 -7.587 2.292 1.00 0.00 N ATOM 1968 CA LEU A 125 3.966 -8.002 1.971 1.00 0.00 C ATOM 1969 C LEU A 125 3.810 -9.438 2.482 1.00 0.00 C ATOM 1970 O LEU A 125 4.731 -10.224 2.405 1.00 0.00 O ATOM 1971 CB LEU A 125 3.736 -7.884 0.459 1.00 0.00 C ATOM 1972 CG LEU A 125 2.407 -8.517 0.052 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.250 -7.806 0.751 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.245 -8.385 -1.461 1.00 0.00 C ATOM 0 H LEU A 125 6.096 -8.170 1.868 1.00 0.00 H new ATOM 0 HA LEU A 125 3.220 -7.366 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.746 -6.834 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.552 -8.371 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 125 2.400 -9.568 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.307 -8.266 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.370 -7.891 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.246 -6.753 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.299 -8.833 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.253 -7.331 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.067 -8.897 -1.961 1.00 0.00 H new ATOM 1986 N GLU A 126 2.679 -9.775 3.060 1.00 0.00 N ATOM 1987 CA GLU A 126 2.510 -11.159 3.639 1.00 0.00 C ATOM 1988 C GLU A 126 1.073 -11.641 3.472 1.00 0.00 C ATOM 1989 O GLU A 126 0.144 -10.990 3.901 1.00 0.00 O ATOM 1990 CB GLU A 126 2.787 -11.110 5.151 1.00 0.00 C ATOM 1991 CG GLU A 126 4.195 -10.577 5.411 1.00 0.00 C ATOM 1992 CD GLU A 126 4.189 -9.050 5.297 1.00 0.00 C ATOM 1993 OE1 GLU A 126 3.184 -8.453 5.642 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.182 -8.508 4.857 1.00 0.00 O ATOM 0 H GLU A 126 1.870 -9.162 3.158 1.00 0.00 H new ATOM 0 HA GLU A 126 3.197 -11.828 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.052 -10.472 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.682 -12.107 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.532 -10.877 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.896 -11.004 4.693 1.00 0.00 H new ATOM 2001 N PHE A 127 0.883 -12.793 2.896 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.499 -13.332 2.756 1.00 0.00 C ATOM 2003 C PHE A 127 -0.898 -14.007 4.077 1.00 0.00 C ATOM 2004 O PHE A 127 -0.597 -15.158 4.307 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.505 -14.344 1.597 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.813 -14.291 0.856 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.947 -14.891 1.403 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -1.886 -13.646 -0.383 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -4.158 -14.853 0.712 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.095 -13.604 -1.076 1.00 0.00 C ATOM 2011 CZ PHE A 127 -4.234 -14.211 -0.535 1.00 0.00 C ATOM 0 H PHE A 127 1.622 -13.385 2.516 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.215 -12.539 2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.316 -14.127 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.340 -15.350 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.887 -15.385 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.006 -13.181 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -5.037 -15.317 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.153 -13.103 -2.031 1.00 0.00 H new ATOM 0 HZ PHE A 127 -5.169 -14.186 -1.075 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.561 -13.315 4.959 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.950 -13.961 6.251 1.00 0.00 C ATOM 2023 C ASP A 128 -3.178 -13.271 6.827 1.00 0.00 C ATOM 2024 O ASP A 128 -3.418 -13.289 8.017 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.786 -13.862 7.234 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.119 -14.666 8.489 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.198 -15.234 8.531 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.293 -14.702 9.384 1.00 0.00 O ATOM 0 H ASP A 128 -1.849 -12.343 4.848 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.188 -15.010 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.126 -14.243 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.601 -12.820 7.494 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.939 -12.641 5.998 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.138 -11.918 6.493 1.00 0.00 C ATOM 2035 C GLU A 129 -6.197 -12.884 7.069 1.00 0.00 C ATOM 2036 O GLU A 129 -6.679 -13.798 6.410 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.713 -11.104 5.340 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.774 -9.948 5.001 1.00 0.00 C ATOM 2039 CD GLU A 129 -4.813 -8.919 6.124 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.063 -9.069 7.074 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.602 -7.995 6.019 1.00 0.00 O ATOM 0 H GLU A 129 -3.787 -12.591 4.991 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.847 -11.259 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.850 -11.741 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.696 -10.718 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.758 -10.318 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.072 -9.487 4.060 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.580 -12.663 8.301 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.616 -13.535 8.928 1.00 0.00 C ATOM 2050 C GLU A 130 -8.925 -13.413 8.156 1.00 0.00 C ATOM 2051 O GLU A 130 -9.673 -14.361 8.040 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.836 -13.135 10.395 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.382 -11.703 10.488 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.550 -11.316 11.960 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -9.606 -11.589 12.509 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.620 -10.755 12.518 1.00 0.00 O ATOM 0 H GLU A 130 -6.220 -11.918 8.898 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.272 -14.569 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.534 -13.827 10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.896 -13.208 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.701 -11.010 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.339 -11.633 9.971 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.218 -12.274 7.589 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.482 -12.186 6.824 1.00 0.00 C ATOM 2065 C ARG A 131 -10.306 -13.075 5.592 1.00 0.00 C ATOM 2066 O ARG A 131 -11.244 -13.447 4.931 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.804 -10.726 6.456 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.958 -10.279 5.282 1.00 0.00 C ATOM 2069 CD ARG A 131 -10.046 -8.759 5.135 1.00 0.00 C ATOM 2070 NE ARG A 131 -11.483 -8.316 5.188 1.00 0.00 N ATOM 2071 CZ ARG A 131 -12.390 -8.819 4.392 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -12.055 -9.580 3.385 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -13.641 -8.504 4.569 1.00 0.00 N ATOM 0 H ARG A 131 -8.652 -11.426 7.623 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.332 -12.530 7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.861 -10.631 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.619 -10.079 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.921 -10.580 5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -10.302 -10.763 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.479 -8.276 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -9.597 -8.451 4.191 1.00 0.00 H new ATOM 0 HE ARG A 131 -11.757 -7.603 5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -11.072 -9.790 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -12.776 -9.964 2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -13.906 -7.870 5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -14.356 -8.891 3.953 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.082 -13.443 5.299 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.831 -14.327 4.117 1.00 0.00 C ATOM 2089 C ALA A 132 -9.515 -15.655 4.317 1.00 0.00 C ATOM 2090 O ALA A 132 -10.208 -16.141 3.454 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.332 -14.606 3.976 1.00 0.00 C ATOM 0 H ALA A 132 -8.250 -13.172 5.824 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.213 -13.822 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.161 -15.250 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.798 -13.666 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.968 -15.101 4.876 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.308 -16.263 5.437 1.00 0.00 N ATOM 2098 CA GLN A 133 -9.956 -17.595 5.645 1.00 0.00 C ATOM 2099 C GLN A 133 -11.489 -17.449 5.636 1.00 0.00 C ATOM 2100 O GLN A 133 -12.193 -18.213 4.991 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.474 -18.214 6.973 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.221 -17.604 8.168 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.502 -17.982 9.473 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.289 -18.019 9.521 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.200 -18.249 10.547 1.00 0.00 N ATOM 0 H GLN A 133 -8.735 -15.917 6.207 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.672 -18.260 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.631 -19.292 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.403 -18.050 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.266 -16.520 8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.249 -17.965 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.219 -18.220 10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.725 -18.486 11.418 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.028 -16.484 6.334 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.524 -16.332 6.340 1.00 0.00 C ATOM 2116 C GLN A 134 -14.029 -15.619 5.074 1.00 0.00 C ATOM 2117 O GLN A 134 -15.065 -15.968 4.540 1.00 0.00 O ATOM 2118 CB GLN A 134 -13.992 -15.583 7.592 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.147 -14.339 7.812 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.578 -13.633 9.103 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -12.840 -12.831 9.638 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.745 -13.887 9.629 1.00 0.00 N ATOM 0 H GLN A 134 -11.513 -15.803 6.892 1.00 0.00 H new ATOM 0 HA GLN A 134 -13.950 -17.335 6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.040 -15.304 7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.922 -16.236 8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.093 -14.611 7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.254 -13.662 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.369 -14.560 9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.033 -13.413 10.485 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.328 -14.624 4.580 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.825 -13.927 3.349 1.00 0.00 C ATOM 2133 C GLU A 135 -13.729 -14.896 2.173 1.00 0.00 C ATOM 2134 O GLU A 135 -14.518 -14.849 1.251 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.018 -12.633 3.080 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.680 -12.946 2.366 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.829 -12.813 0.846 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.504 -13.641 0.260 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.262 -11.885 0.296 1.00 0.00 O ATOM 0 H GLU A 135 -12.452 -14.270 4.966 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.864 -13.628 3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.610 -11.953 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.820 -12.122 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.906 -12.266 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.356 -13.956 2.617 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.775 -15.788 2.214 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.638 -16.782 1.113 1.00 0.00 C ATOM 2148 C ASP A 136 -13.916 -17.608 1.056 1.00 0.00 C ATOM 2149 O ASP A 136 -14.461 -17.843 -0.001 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.431 -17.691 1.387 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.303 -18.761 0.297 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.185 -19.599 0.198 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.310 -18.732 -0.410 1.00 0.00 O ATOM 0 H ASP A 136 -12.086 -15.870 2.962 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.481 -16.276 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.520 -17.093 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.542 -18.168 2.361 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.425 -18.026 2.185 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.693 -18.801 2.152 1.00 0.00 C ATOM 2160 C ALA A 137 -16.806 -17.896 1.605 1.00 0.00 C ATOM 2161 O ALA A 137 -17.604 -18.303 0.789 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.050 -19.287 3.561 1.00 0.00 C ATOM 0 H ALA A 137 -14.025 -17.867 3.110 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.578 -19.673 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.981 -19.854 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.251 -19.925 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.173 -18.429 4.222 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.849 -16.663 2.056 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.899 -15.697 1.585 1.00 0.00 C ATOM 2170 C LEU A 138 -17.525 -15.097 0.219 1.00 0.00 C ATOM 2171 O LEU A 138 -18.276 -14.330 -0.353 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.036 -14.550 2.597 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.455 -15.074 3.985 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.557 -13.886 4.958 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.827 -15.774 3.896 1.00 0.00 C ATOM 0 H LEU A 138 -16.195 -16.280 2.738 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.839 -16.241 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.088 -14.018 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.774 -13.833 2.239 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.712 -15.789 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.853 -14.247 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.589 -13.390 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.301 -13.179 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.113 -16.140 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.575 -15.065 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.764 -16.612 3.202 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.379 -15.424 -0.304 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.971 -14.841 -1.621 1.00 0.00 C ATOM 2189 C ALA A 139 -17.001 -15.216 -2.698 1.00 0.00 C ATOM 2190 O ALA A 139 -17.048 -14.617 -3.754 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.605 -15.398 -2.017 1.00 0.00 C ATOM 0 H ALA A 139 -15.707 -16.066 0.116 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.918 -13.756 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.304 -14.976 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.870 -15.133 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.665 -16.483 -2.101 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.830 -16.194 -2.451 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.848 -16.567 -3.479 1.00 0.00 C ATOM 2199 C GLN A 140 -19.916 -15.477 -3.540 1.00 0.00 C ATOM 2200 O GLN A 140 -20.179 -14.796 -2.568 1.00 0.00 O ATOM 2201 CB GLN A 140 -19.520 -17.895 -3.107 1.00 0.00 C ATOM 2202 CG GLN A 140 -18.491 -19.013 -3.074 1.00 0.00 C ATOM 2203 CD GLN A 140 -19.207 -20.341 -2.803 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -20.073 -20.421 -1.954 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -18.894 -21.396 -3.502 1.00 0.00 N ATOM 0 H GLN A 140 -17.849 -16.746 -1.593 1.00 0.00 H new ATOM 0 HA GLN A 140 -18.354 -16.673 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -20.003 -17.806 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -20.301 -18.131 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -17.956 -19.060 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -17.750 -18.820 -2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -18.168 -21.338 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -19.375 -22.280 -3.334 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.527 -15.303 -4.684 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.581 -14.260 -4.837 1.00 0.00 C ATOM 2216 C GLN A 141 -22.958 -14.910 -4.702 1.00 0.00 C ATOM 2217 O GLN A 141 -23.767 -14.384 -3.959 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.461 -13.622 -6.220 1.00 0.00 C ATOM 2219 CG GLN A 141 -22.362 -12.395 -6.299 1.00 0.00 C ATOM 2220 CD GLN A 141 -22.229 -11.792 -7.694 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -21.373 -12.193 -8.458 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -23.033 -10.846 -8.068 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.179 -15.925 -5.342 1.00 0.00 O ATOM 0 H GLN A 141 -20.337 -15.846 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.457 -13.498 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -20.426 -13.338 -6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -21.742 -14.342 -6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -23.398 -12.671 -6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -22.077 -11.665 -5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -23.753 -10.507 -7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -22.946 -10.441 -9.000 1.00 0.00 H new TER 2232 GLN A 141