USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 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 28 HIS : no HD1:sc= -0.553 K(o=-0.74,f=-8.4!) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 100:sc= 0.347 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 68:sc= 0.91 USER MOD Single : A 15 THR OG1 : rot 84:sc= 0.618 USER MOD Single : A 16 CYS SG : rot -50:sc= -2.54 USER MOD Single : A 22 THR OG1 : rot -1:sc= 0.753 USER MOD Single : A 24 THR OG1 : rot -91:sc= -0.764 USER MOD Single : A 27 SER OG : rot 87:sc= 0.594 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= -1.68 (180deg=-2.66!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.887 USER MOD Single : A 62 GLN : amide:sc= -0.806 K(o=-0.81,f=-0.0044) USER MOD Single : A 65 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : A 74 TYR OH : rot -113:sc= 0.123 USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= 0.461 (180deg=0.191) USER MOD Single : A 79 ASN : amide:sc= -0.839 K(o=-0.84,f=-5.4!) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0.568 (180deg=0.494) USER MOD Single : A 96 HIS : no HD1:sc= -0.335 X(o=-0.34,f=-0.63) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 98 HIS : no HD1:sc= -0.0687 K(o=-0.069,f=-0.82) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 102 PNS O33 : rot 180:sc= -0.047 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.328 5.214 -0.229 1.00 0.00 N ATOM 2 CA MET A 1 -17.487 4.996 -1.420 1.00 0.00 C ATOM 3 C MET A 1 -16.176 5.780 -1.269 1.00 0.00 C ATOM 4 O MET A 1 -16.164 7.013 -1.377 1.00 0.00 O ATOM 5 CB MET A 1 -18.232 5.415 -2.718 1.00 0.00 C ATOM 6 CG MET A 1 -19.440 4.551 -3.089 1.00 0.00 C ATOM 7 SD MET A 1 -20.237 5.106 -4.619 1.00 0.00 S ATOM 8 CE MET A 1 -21.565 3.907 -4.803 1.00 0.00 C ATOM 0 H1 MET A 1 -19.217 4.683 -0.330 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.822 4.885 0.618 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.539 6.228 -0.134 1.00 0.00 H new ATOM 0 HA MET A 1 -17.263 3.932 -1.501 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.565 6.447 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.524 5.394 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.122 3.515 -3.203 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.165 4.574 -2.275 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.135 4.131 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.143 2.905 -4.880 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.223 3.957 -3.936 1.00 0.00 H new ATOM 20 N THR A 2 -15.090 5.048 -0.989 1.00 0.00 N ATOM 21 CA THR A 2 -13.741 5.594 -0.846 1.00 0.00 C ATOM 22 C THR A 2 -12.721 4.488 -1.208 1.00 0.00 C ATOM 23 O THR A 2 -12.724 3.408 -0.607 1.00 0.00 O ATOM 24 CB THR A 2 -13.515 6.164 0.606 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.212 6.745 0.727 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.707 5.121 1.719 1.00 0.00 C ATOM 0 H THR A 2 -15.129 4.038 -0.853 1.00 0.00 H new ATOM 0 HA THR A 2 -13.602 6.434 -1.527 1.00 0.00 H new ATOM 0 HB THR A 2 -14.284 6.924 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.279 7.719 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.535 5.588 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.724 4.730 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.999 4.304 1.579 1.00 0.00 H new ATOM 34 N SER A 3 -11.902 4.735 -2.245 1.00 0.00 N ATOM 35 CA SER A 3 -10.905 3.760 -2.736 1.00 0.00 C ATOM 36 C SER A 3 -9.615 3.820 -1.896 1.00 0.00 C ATOM 37 O SER A 3 -9.497 4.664 -0.996 1.00 0.00 O ATOM 38 CB SER A 3 -10.605 4.037 -4.227 1.00 0.00 C ATOM 39 OG SER A 3 -11.797 4.038 -4.991 1.00 0.00 O ATOM 0 H SER A 3 -11.910 5.612 -2.766 1.00 0.00 H new ATOM 0 HA SER A 3 -11.314 2.755 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.103 4.999 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.923 3.279 -4.612 1.00 0.00 H new ATOM 0 HG SER A 3 -11.583 4.217 -5.931 1.00 0.00 H new ATOM 45 N THR A 4 -8.655 2.919 -2.202 1.00 0.00 N ATOM 46 CA THR A 4 -7.331 2.875 -1.546 1.00 0.00 C ATOM 47 C THR A 4 -6.620 4.236 -1.676 1.00 0.00 C ATOM 48 O THR A 4 -6.065 4.736 -0.705 1.00 0.00 O ATOM 49 CB THR A 4 -6.438 1.750 -2.167 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.148 0.503 -2.160 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.104 1.571 -1.421 1.00 0.00 C ATOM 0 H THR A 4 -8.778 2.199 -2.914 1.00 0.00 H new ATOM 0 HA THR A 4 -7.487 2.654 -0.490 1.00 0.00 H new ATOM 0 HB THR A 4 -6.209 2.057 -3.188 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.584 -0.197 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.526 0.778 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.539 2.503 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.301 1.305 -0.382 1.00 0.00 H new ATOM 59 N PHE A 5 -6.707 4.837 -2.884 1.00 0.00 N ATOM 60 CA PHE A 5 -6.175 6.185 -3.174 1.00 0.00 C ATOM 61 C PHE A 5 -6.775 7.234 -2.216 1.00 0.00 C ATOM 62 O PHE A 5 -6.051 8.055 -1.668 1.00 0.00 O ATOM 63 CB PHE A 5 -6.461 6.585 -4.661 1.00 0.00 C ATOM 64 CG PHE A 5 -6.382 8.096 -4.929 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.179 8.787 -4.786 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.527 8.834 -5.257 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.128 10.152 -4.957 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.462 10.198 -5.441 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.266 10.855 -5.286 1.00 0.00 C ATOM 0 H PHE A 5 -7.151 4.396 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.096 6.158 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.747 6.074 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.453 6.229 -4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.278 8.245 -4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.474 8.327 -5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.191 10.674 -4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.351 10.750 -5.707 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.218 11.925 -5.422 1.00 0.00 H new ATOM 79 N ASP A 6 -8.101 7.194 -2.060 1.00 0.00 N ATOM 80 CA ASP A 6 -8.860 8.180 -1.262 1.00 0.00 C ATOM 81 C ASP A 6 -8.501 8.064 0.222 1.00 0.00 C ATOM 82 O ASP A 6 -8.441 9.075 0.918 1.00 0.00 O ATOM 83 CB ASP A 6 -10.377 7.987 -1.463 1.00 0.00 C ATOM 84 CG ASP A 6 -10.817 8.161 -2.919 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.484 7.292 -3.750 1.00 0.00 O ATOM 86 OD2 ASP A 6 -11.502 9.151 -3.243 1.00 0.00 O ATOM 0 H ASP A 6 -8.688 6.475 -2.483 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.589 9.178 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.659 6.991 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.914 8.702 -0.840 1.00 0.00 H new ATOM 91 N ARG A 7 -8.263 6.815 0.683 1.00 0.00 N ATOM 92 CA ARG A 7 -7.775 6.528 2.051 1.00 0.00 C ATOM 93 C ARG A 7 -6.403 7.173 2.269 1.00 0.00 C ATOM 94 O ARG A 7 -6.205 7.907 3.235 1.00 0.00 O ATOM 95 CB ARG A 7 -7.682 4.996 2.308 1.00 0.00 C ATOM 96 CG ARG A 7 -9.019 4.219 2.226 1.00 0.00 C ATOM 97 CD ARG A 7 -10.055 4.620 3.311 1.00 0.00 C ATOM 98 NE ARG A 7 -10.681 5.937 3.058 1.00 0.00 N ATOM 99 CZ ARG A 7 -10.994 6.856 3.980 1.00 0.00 C ATOM 100 NH1 ARG A 7 -10.632 6.707 5.246 1.00 0.00 N ATOM 101 NH2 ARG A 7 -11.631 7.949 3.597 1.00 0.00 N ATOM 0 H ARG A 7 -8.404 5.978 0.117 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.491 6.951 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.988 4.566 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.251 4.838 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.460 4.379 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.812 3.152 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.833 3.858 3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.564 4.639 4.284 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.895 6.167 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.106 5.881 5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.880 7.418 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.875 8.080 2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.879 8.662 4.283 1.00 0.00 H new ATOM 115 N VAL A 8 -5.485 6.901 1.321 1.00 0.00 N ATOM 116 CA VAL A 8 -4.121 7.464 1.296 1.00 0.00 C ATOM 117 C VAL A 8 -4.164 9.001 1.316 1.00 0.00 C ATOM 118 O VAL A 8 -3.466 9.626 2.093 1.00 0.00 O ATOM 119 CB VAL A 8 -3.340 6.955 0.020 1.00 0.00 C ATOM 120 CG1 VAL A 8 -1.986 7.687 -0.184 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.124 5.425 0.092 1.00 0.00 C ATOM 0 H VAL A 8 -5.674 6.274 0.539 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.595 7.124 2.188 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.960 7.189 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.492 7.298 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.165 8.755 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.349 7.523 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.585 5.092 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.545 5.181 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.090 4.923 0.139 1.00 0.00 H new ATOM 131 N ALA A 9 -5.040 9.568 0.482 1.00 0.00 N ATOM 132 CA ALA A 9 -5.191 11.019 0.288 1.00 0.00 C ATOM 133 C ALA A 9 -5.697 11.708 1.569 1.00 0.00 C ATOM 134 O ALA A 9 -5.264 12.820 1.895 1.00 0.00 O ATOM 135 CB ALA A 9 -6.141 11.279 -0.888 1.00 0.00 C ATOM 0 H ALA A 9 -5.681 9.021 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.214 11.446 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.254 12.353 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.730 10.832 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.114 10.837 -0.674 1.00 0.00 H new ATOM 141 N THR A 10 -6.623 11.030 2.277 1.00 0.00 N ATOM 142 CA THR A 10 -7.091 11.463 3.606 1.00 0.00 C ATOM 143 C THR A 10 -5.917 11.470 4.599 1.00 0.00 C ATOM 144 O THR A 10 -5.702 12.448 5.302 1.00 0.00 O ATOM 145 CB THR A 10 -8.245 10.545 4.149 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.336 10.507 3.212 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.780 11.021 5.509 1.00 0.00 C ATOM 0 H THR A 10 -7.064 10.172 1.945 1.00 0.00 H new ATOM 0 HA THR A 10 -7.491 12.472 3.502 1.00 0.00 H new ATOM 0 HB THR A 10 -7.818 9.550 4.277 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.054 10.035 2.401 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.575 10.354 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.972 11.014 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.173 12.033 5.412 1.00 0.00 H new ATOM 155 N ILE A 11 -5.143 10.370 4.590 1.00 0.00 N ATOM 156 CA ILE A 11 -3.965 10.175 5.457 1.00 0.00 C ATOM 157 C ILE A 11 -2.872 11.239 5.172 1.00 0.00 C ATOM 158 O ILE A 11 -2.192 11.689 6.096 1.00 0.00 O ATOM 159 CB ILE A 11 -3.410 8.706 5.273 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.424 7.666 5.863 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.997 8.522 5.874 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.098 6.204 5.587 1.00 0.00 C ATOM 0 H ILE A 11 -5.320 9.579 3.971 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.266 10.305 6.496 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.308 8.528 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.479 7.810 6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.414 7.882 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.666 7.495 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.302 9.205 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.025 8.736 6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.861 5.570 6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.074 6.033 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.125 5.961 6.014 1.00 0.00 H new ATOM 174 N ILE A 12 -2.748 11.666 3.900 1.00 0.00 N ATOM 175 CA ILE A 12 -1.792 12.714 3.489 1.00 0.00 C ATOM 176 C ILE A 12 -2.235 14.077 4.078 1.00 0.00 C ATOM 177 O ILE A 12 -1.410 14.850 4.588 1.00 0.00 O ATOM 178 CB ILE A 12 -1.675 12.800 1.913 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.100 11.477 1.307 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.814 13.997 1.471 1.00 0.00 C ATOM 181 CD1 ILE A 12 -1.027 11.446 -0.216 1.00 0.00 C ATOM 0 H ILE A 12 -3.306 11.296 3.130 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.806 12.457 3.876 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.686 12.945 1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.099 11.316 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.716 10.643 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.757 14.022 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.264 14.922 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.189 13.896 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.616 10.490 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.027 11.571 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.385 12.255 -0.566 1.00 0.00 H new ATOM 193 N ALA A 13 -3.551 14.340 3.999 1.00 0.00 N ATOM 194 CA ALA A 13 -4.181 15.529 4.597 1.00 0.00 C ATOM 195 C ALA A 13 -4.011 15.559 6.136 1.00 0.00 C ATOM 196 O ALA A 13 -3.746 16.620 6.707 1.00 0.00 O ATOM 197 CB ALA A 13 -5.671 15.589 4.212 1.00 0.00 C ATOM 0 H ALA A 13 -4.211 13.730 3.516 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.676 16.410 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.127 16.472 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.765 15.642 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.177 14.695 4.576 1.00 0.00 H new ATOM 203 N GLU A 14 -4.154 14.389 6.792 1.00 0.00 N ATOM 204 CA GLU A 14 -3.993 14.254 8.254 1.00 0.00 C ATOM 205 C GLU A 14 -2.547 14.562 8.677 1.00 0.00 C ATOM 206 O GLU A 14 -2.308 15.355 9.598 1.00 0.00 O ATOM 207 CB GLU A 14 -4.375 12.811 8.717 1.00 0.00 C ATOM 208 CG GLU A 14 -5.843 12.397 8.466 1.00 0.00 C ATOM 209 CD GLU A 14 -6.872 13.217 9.263 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.224 12.823 10.393 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.349 14.254 8.759 1.00 0.00 O ATOM 0 H GLU A 14 -4.384 13.513 6.324 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.660 14.972 8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.724 12.101 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.169 12.724 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.060 12.496 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.960 11.343 8.718 1.00 0.00 H new ATOM 218 N THR A 15 -1.594 13.953 7.959 1.00 0.00 N ATOM 219 CA THR A 15 -0.182 13.909 8.362 1.00 0.00 C ATOM 220 C THR A 15 0.583 15.195 7.968 1.00 0.00 C ATOM 221 O THR A 15 1.132 15.886 8.836 1.00 0.00 O ATOM 222 CB THR A 15 0.504 12.657 7.731 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.186 11.465 8.158 1.00 0.00 O ATOM 224 CG2 THR A 15 1.984 12.550 8.111 1.00 0.00 C ATOM 0 H THR A 15 -1.782 13.475 7.078 1.00 0.00 H new ATOM 0 HA THR A 15 -0.150 13.840 9.449 1.00 0.00 H new ATOM 0 HB THR A 15 0.449 12.765 6.648 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.962 11.311 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.415 11.663 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.514 13.436 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.077 12.475 9.194 1.00 0.00 H new ATOM 232 N CYS A 16 0.588 15.534 6.668 1.00 0.00 N ATOM 233 CA CYS A 16 1.461 16.595 6.110 1.00 0.00 C ATOM 234 C CYS A 16 0.642 17.843 5.704 1.00 0.00 C ATOM 235 O CYS A 16 1.214 18.825 5.206 1.00 0.00 O ATOM 236 CB CYS A 16 2.243 16.033 4.898 1.00 0.00 C ATOM 237 SG CYS A 16 3.302 14.630 5.315 1.00 0.00 S ATOM 0 H CYS A 16 -0.008 15.086 5.972 1.00 0.00 H new ATOM 0 HA CYS A 16 2.166 16.908 6.880 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.535 15.728 4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.856 16.827 4.471 1.00 0.00 H new ATOM 0 HG CYS A 16 4.032 14.929 6.348 1.00 0.00 H new ATOM 243 N ASP A 17 -0.691 17.788 5.955 1.00 0.00 N ATOM 244 CA ASP A 17 -1.662 18.849 5.604 1.00 0.00 C ATOM 245 C ASP A 17 -1.553 19.254 4.117 1.00 0.00 C ATOM 246 O ASP A 17 -1.037 20.322 3.771 1.00 0.00 O ATOM 247 CB ASP A 17 -1.531 20.068 6.566 1.00 0.00 C ATOM 248 CG ASP A 17 -2.554 21.188 6.298 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.766 20.900 6.230 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.157 22.360 6.162 1.00 0.00 O ATOM 0 H ASP A 17 -1.126 16.989 6.416 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.665 18.444 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.647 19.722 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.525 20.480 6.480 1.00 0.00 H new ATOM 255 N ILE A 18 -1.958 18.331 3.243 1.00 0.00 N ATOM 256 CA ILE A 18 -2.025 18.559 1.791 1.00 0.00 C ATOM 257 C ILE A 18 -3.508 18.481 1.377 1.00 0.00 C ATOM 258 O ILE A 18 -4.164 17.472 1.683 1.00 0.00 O ATOM 259 CB ILE A 18 -1.156 17.500 1.013 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.330 17.507 1.514 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.215 17.707 -0.519 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.093 18.803 1.276 1.00 0.00 C ATOM 0 H ILE A 18 -2.252 17.395 3.521 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.618 19.539 1.540 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.588 16.522 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.336 17.292 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.865 16.695 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.601 16.954 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.246 17.614 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.840 18.700 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.109 18.703 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.127 19.014 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.590 19.621 1.792 1.00 0.00 H new ATOM 274 N PRO A 19 -4.072 19.555 0.709 1.00 0.00 N ATOM 275 CA PRO A 19 -5.521 19.649 0.403 1.00 0.00 C ATOM 276 C PRO A 19 -5.986 18.517 -0.521 1.00 0.00 C ATOM 277 O PRO A 19 -5.387 18.304 -1.578 1.00 0.00 O ATOM 278 CB PRO A 19 -5.683 21.049 -0.267 1.00 0.00 C ATOM 279 CG PRO A 19 -4.440 21.792 0.113 1.00 0.00 C ATOM 280 CD PRO A 19 -3.351 20.746 0.187 1.00 0.00 C ATOM 0 HA PRO A 19 -6.137 19.546 1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.779 20.962 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.576 21.560 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.199 22.558 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.563 22.299 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.908 20.554 -0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.541 21.051 0.850 1.00 0.00 H new ATOM 288 N ARG A 20 -7.049 17.804 -0.095 1.00 0.00 N ATOM 289 CA ARG A 20 -7.639 16.664 -0.825 1.00 0.00 C ATOM 290 C ARG A 20 -7.992 17.032 -2.285 1.00 0.00 C ATOM 291 O ARG A 20 -7.841 16.201 -3.194 1.00 0.00 O ATOM 292 CB ARG A 20 -8.897 16.146 -0.062 1.00 0.00 C ATOM 293 CG ARG A 20 -9.628 14.957 -0.737 1.00 0.00 C ATOM 294 CD ARG A 20 -8.713 13.738 -0.942 1.00 0.00 C ATOM 295 NE ARG A 20 -9.364 12.676 -1.731 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.264 12.519 -3.061 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.573 13.376 -3.808 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.887 11.507 -3.634 1.00 0.00 N ATOM 0 H ARG A 20 -7.529 18.008 0.781 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.894 15.869 -0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.597 15.846 0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.601 16.970 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.482 14.666 -0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.021 15.278 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.799 14.053 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.421 13.339 0.029 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.939 12.004 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.106 14.171 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.510 13.238 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.434 10.858 -3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.822 11.373 -4.643 1.00 0.00 H new ATOM 312 N GLU A 21 -8.421 18.289 -2.497 1.00 0.00 N ATOM 313 CA GLU A 21 -8.782 18.816 -3.827 1.00 0.00 C ATOM 314 C GLU A 21 -7.562 18.829 -4.771 1.00 0.00 C ATOM 315 O GLU A 21 -7.678 18.516 -5.963 1.00 0.00 O ATOM 316 CB GLU A 21 -9.360 20.246 -3.677 1.00 0.00 C ATOM 317 CG GLU A 21 -8.439 21.226 -2.914 1.00 0.00 C ATOM 318 CD GLU A 21 -8.915 22.678 -2.962 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.828 23.043 -2.195 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.392 23.462 -3.781 1.00 0.00 O ATOM 0 H GLU A 21 -8.528 18.972 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.536 18.163 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.560 20.651 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.317 20.186 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.369 20.910 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.434 21.168 -3.333 1.00 0.00 H new ATOM 327 N THR A 22 -6.388 19.168 -4.213 1.00 0.00 N ATOM 328 CA THR A 22 -5.129 19.283 -4.963 1.00 0.00 C ATOM 329 C THR A 22 -4.333 17.957 -4.912 1.00 0.00 C ATOM 330 O THR A 22 -3.126 17.939 -5.175 1.00 0.00 O ATOM 331 CB THR A 22 -4.265 20.466 -4.409 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.017 20.279 -3.011 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.938 21.834 -4.619 1.00 0.00 C ATOM 0 H THR A 22 -6.287 19.372 -3.219 1.00 0.00 H new ATOM 0 HA THR A 22 -5.372 19.492 -6.005 1.00 0.00 H new ATOM 0 HB THR A 22 -3.329 20.463 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.455 19.456 -2.708 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.298 22.620 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.095 22.003 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.899 21.850 -4.104 1.00 0.00 H new ATOM 341 N ILE A 23 -5.021 16.847 -4.569 1.00 0.00 N ATOM 342 CA ILE A 23 -4.456 15.491 -4.581 1.00 0.00 C ATOM 343 C ILE A 23 -5.170 14.685 -5.696 1.00 0.00 C ATOM 344 O ILE A 23 -6.336 14.295 -5.539 1.00 0.00 O ATOM 345 CB ILE A 23 -4.640 14.785 -3.173 1.00 0.00 C ATOM 346 CG1 ILE A 23 -3.845 15.539 -2.062 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.224 13.297 -3.220 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.017 14.975 -0.658 1.00 0.00 C ATOM 0 H ILE A 23 -5.997 16.874 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.385 15.538 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.701 14.826 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.786 15.522 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.155 16.584 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.365 12.849 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.838 12.770 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.175 13.221 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.428 15.563 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.069 15.018 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.678 13.939 -0.638 1.00 0.00 H new ATOM 360 N THR A 24 -4.486 14.498 -6.840 1.00 0.00 N ATOM 361 CA THR A 24 -4.993 13.691 -7.976 1.00 0.00 C ATOM 362 C THR A 24 -4.414 12.264 -7.896 1.00 0.00 C ATOM 363 O THR A 24 -3.356 12.073 -7.288 1.00 0.00 O ATOM 364 CB THR A 24 -4.608 14.353 -9.351 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.190 14.497 -9.443 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.271 15.731 -9.534 1.00 0.00 C ATOM 0 H THR A 24 -3.564 14.901 -7.007 1.00 0.00 H new ATOM 0 HA THR A 24 -6.080 13.646 -7.913 1.00 0.00 H new ATOM 0 HB THR A 24 -4.971 13.695 -10.141 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.927 15.374 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.978 16.151 -10.496 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.355 15.620 -9.502 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.950 16.398 -8.734 1.00 0.00 H new ATOM 374 N PRO A 25 -5.093 11.218 -8.488 1.00 0.00 N ATOM 375 CA PRO A 25 -4.560 9.829 -8.499 1.00 0.00 C ATOM 376 C PRO A 25 -3.215 9.732 -9.252 1.00 0.00 C ATOM 377 O PRO A 25 -2.358 8.929 -8.910 1.00 0.00 O ATOM 378 CB PRO A 25 -5.681 9.002 -9.196 1.00 0.00 C ATOM 379 CG PRO A 25 -6.457 10.012 -9.984 1.00 0.00 C ATOM 380 CD PRO A 25 -6.427 11.281 -9.156 1.00 0.00 C ATOM 0 HA PRO A 25 -4.336 9.462 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.262 8.231 -9.843 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.314 8.497 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.009 10.173 -10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.481 9.677 -10.152 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.525 12.171 -9.778 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.240 11.308 -8.431 1.00 0.00 H new ATOM 388 N GLU A 26 -3.012 10.623 -10.235 1.00 0.00 N ATOM 389 CA GLU A 26 -1.819 10.611 -11.104 1.00 0.00 C ATOM 390 C GLU A 26 -0.754 11.609 -10.591 1.00 0.00 C ATOM 391 O GLU A 26 0.202 11.929 -11.301 1.00 0.00 O ATOM 392 CB GLU A 26 -2.254 10.908 -12.562 1.00 0.00 C ATOM 393 CG GLU A 26 -3.376 9.970 -13.064 1.00 0.00 C ATOM 394 CD GLU A 26 -3.730 10.152 -14.546 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.353 11.174 -14.898 1.00 0.00 O ATOM 396 OE2 GLU A 26 -3.393 9.270 -15.365 1.00 0.00 O ATOM 0 H GLU A 26 -3.669 11.373 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.352 9.626 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.595 11.941 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.389 10.814 -13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.072 8.937 -12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.271 10.138 -12.465 1.00 0.00 H new ATOM 403 N SER A 27 -0.903 12.037 -9.322 1.00 0.00 N ATOM 404 CA SER A 27 0.029 12.964 -8.665 1.00 0.00 C ATOM 405 C SER A 27 1.218 12.192 -8.101 1.00 0.00 C ATOM 406 O SER A 27 1.060 11.065 -7.633 1.00 0.00 O ATOM 407 CB SER A 27 -0.683 13.728 -7.531 1.00 0.00 C ATOM 408 OG SER A 27 0.216 14.550 -6.819 1.00 0.00 O ATOM 0 H SER A 27 -1.677 11.746 -8.725 1.00 0.00 H new ATOM 0 HA SER A 27 0.384 13.683 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.484 14.339 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.148 13.017 -6.847 1.00 0.00 H new ATOM 0 HG SER A 27 0.290 15.419 -7.267 1.00 0.00 H new ATOM 414 N HIS A 28 2.402 12.803 -8.161 1.00 0.00 N ATOM 415 CA HIS A 28 3.607 12.264 -7.540 1.00 0.00 C ATOM 416 C HIS A 28 3.718 12.868 -6.130 1.00 0.00 C ATOM 417 O HIS A 28 3.841 14.085 -5.999 1.00 0.00 O ATOM 418 CB HIS A 28 4.842 12.614 -8.403 1.00 0.00 C ATOM 419 CG HIS A 28 6.077 11.822 -8.053 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.893 12.176 -7.006 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.605 10.739 -8.670 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.887 11.310 -7.015 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.755 10.424 -8.005 1.00 0.00 N ATOM 0 H HIS A 28 2.550 13.689 -8.644 1.00 0.00 H new ATOM 0 HA HIS A 28 3.558 11.178 -7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.599 12.445 -9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.060 13.676 -8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.195 10.223 -9.525 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.705 11.316 -6.310 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.392 9.658 -8.223 1.00 0.00 H new ATOM 431 N ALA A 29 3.635 12.028 -5.083 1.00 0.00 N ATOM 432 CA ALA A 29 3.670 12.460 -3.671 1.00 0.00 C ATOM 433 C ALA A 29 4.872 13.368 -3.344 1.00 0.00 C ATOM 434 O ALA A 29 4.737 14.324 -2.581 1.00 0.00 O ATOM 435 CB ALA A 29 3.667 11.226 -2.757 1.00 0.00 C ATOM 0 H ALA A 29 3.541 11.018 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 29 2.777 13.060 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.693 11.545 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.764 10.643 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.543 10.613 -2.971 1.00 0.00 H new ATOM 441 N ILE A 30 6.026 13.115 -3.978 1.00 0.00 N ATOM 442 CA ILE A 30 7.278 13.805 -3.623 1.00 0.00 C ATOM 443 C ILE A 30 7.494 15.025 -4.543 1.00 0.00 C ATOM 444 O ILE A 30 7.783 16.129 -4.064 1.00 0.00 O ATOM 445 CB ILE A 30 8.512 12.816 -3.658 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.282 11.645 -2.637 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.856 13.544 -3.382 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.452 10.685 -2.469 1.00 0.00 C ATOM 0 H ILE A 30 6.120 12.440 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 30 7.194 14.167 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 30 8.585 12.404 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.045 12.075 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.409 11.075 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.674 12.824 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.016 14.311 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.823 14.008 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.190 9.915 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.680 10.218 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.325 11.234 -2.116 1.00 0.00 H new ATOM 460 N ASP A 31 7.286 14.835 -5.856 1.00 0.00 N ATOM 461 CA ASP A 31 7.581 15.867 -6.877 1.00 0.00 C ATOM 462 C ASP A 31 6.431 16.883 -6.986 1.00 0.00 C ATOM 463 O ASP A 31 6.660 18.098 -6.950 1.00 0.00 O ATOM 464 CB ASP A 31 7.852 15.209 -8.264 1.00 0.00 C ATOM 465 CG ASP A 31 8.179 16.234 -9.375 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.324 16.738 -9.418 1.00 0.00 O ATOM 467 OD2 ASP A 31 7.295 16.550 -10.202 1.00 0.00 O ATOM 0 H ASP A 31 6.911 13.969 -6.243 1.00 0.00 H new ATOM 0 HA ASP A 31 8.479 16.399 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.682 14.509 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.978 14.629 -8.560 1.00 0.00 H new ATOM 472 N ASP A 32 5.195 16.368 -7.106 1.00 0.00 N ATOM 473 CA ASP A 32 4.002 17.190 -7.381 1.00 0.00 C ATOM 474 C ASP A 32 3.409 17.763 -6.078 1.00 0.00 C ATOM 475 O ASP A 32 3.183 18.965 -5.981 1.00 0.00 O ATOM 476 CB ASP A 32 2.934 16.361 -8.150 1.00 0.00 C ATOM 477 CG ASP A 32 1.713 17.200 -8.575 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.770 17.856 -9.636 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.698 17.227 -7.842 1.00 0.00 O ATOM 0 H ASP A 32 4.994 15.372 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 32 4.308 18.028 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.392 15.921 -9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.600 15.536 -7.521 1.00 0.00 H new ATOM 484 N LEU A 33 3.158 16.890 -5.077 1.00 0.00 N ATOM 485 CA LEU A 33 2.571 17.312 -3.774 1.00 0.00 C ATOM 486 C LEU A 33 3.611 18.024 -2.882 1.00 0.00 C ATOM 487 O LEU A 33 3.238 18.685 -1.906 1.00 0.00 O ATOM 488 CB LEU A 33 1.973 16.108 -3.001 1.00 0.00 C ATOM 489 CG LEU A 33 0.805 15.337 -3.680 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.280 14.224 -2.754 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.332 16.285 -4.121 1.00 0.00 C ATOM 0 H LEU A 33 3.350 15.890 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 33 1.771 18.014 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.777 15.399 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.623 16.468 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 33 1.197 14.872 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.537 13.696 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.085 13.523 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.081 14.664 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.127 15.706 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.729 16.807 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.057 17.012 -4.834 1.00 0.00 H new ATOM 503 N GLY A 34 4.906 17.876 -3.234 1.00 0.00 N ATOM 504 CA GLY A 34 6.005 18.479 -2.472 1.00 0.00 C ATOM 505 C GLY A 34 6.131 17.915 -1.061 1.00 0.00 C ATOM 506 O GLY A 34 6.200 18.665 -0.086 1.00 0.00 O ATOM 0 H GLY A 34 5.210 17.340 -4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.941 18.319 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.851 19.557 -2.414 1.00 0.00 H new ATOM 510 N ILE A 35 6.129 16.582 -0.956 1.00 0.00 N ATOM 511 CA ILE A 35 6.295 15.861 0.322 1.00 0.00 C ATOM 512 C ILE A 35 7.665 15.176 0.321 1.00 0.00 C ATOM 513 O ILE A 35 7.962 14.424 -0.601 1.00 0.00 O ATOM 514 CB ILE A 35 5.158 14.787 0.494 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.752 15.468 0.454 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.336 13.945 1.784 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.583 14.502 0.357 1.00 0.00 C ATOM 0 H ILE A 35 6.012 15.963 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 35 6.230 16.565 1.152 1.00 0.00 H new ATOM 0 HB ILE A 35 5.233 14.095 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.631 16.075 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.716 16.148 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.527 13.218 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.292 13.422 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.314 14.602 2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.649 15.063 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.674 13.912 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.587 13.838 1.221 1.00 0.00 H new ATOM 529 N ASP A 36 8.505 15.441 1.337 1.00 0.00 N ATOM 530 CA ASP A 36 9.835 14.799 1.449 1.00 0.00 C ATOM 531 C ASP A 36 9.653 13.318 1.818 1.00 0.00 C ATOM 532 O ASP A 36 8.620 12.955 2.371 1.00 0.00 O ATOM 533 CB ASP A 36 10.692 15.533 2.509 1.00 0.00 C ATOM 534 CG ASP A 36 12.147 15.036 2.586 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.006 15.546 1.840 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.442 14.140 3.400 1.00 0.00 O ATOM 0 H ASP A 36 8.291 16.093 2.092 1.00 0.00 H new ATOM 0 HA ASP A 36 10.356 14.862 0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.694 16.600 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.225 15.413 3.487 1.00 0.00 H new ATOM 541 N SER A 37 10.660 12.481 1.526 1.00 0.00 N ATOM 542 CA SER A 37 10.609 11.027 1.786 1.00 0.00 C ATOM 543 C SER A 37 10.439 10.704 3.293 1.00 0.00 C ATOM 544 O SER A 37 9.872 9.669 3.637 1.00 0.00 O ATOM 545 CB SER A 37 11.872 10.352 1.217 1.00 0.00 C ATOM 546 OG SER A 37 13.054 10.970 1.724 1.00 0.00 O ATOM 0 H SER A 37 11.535 12.790 1.102 1.00 0.00 H new ATOM 0 HA SER A 37 9.729 10.628 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.871 9.293 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.863 10.414 0.129 1.00 0.00 H new ATOM 551 N LEU A 38 10.938 11.603 4.167 1.00 0.00 N ATOM 552 CA LEU A 38 10.779 11.496 5.637 1.00 0.00 C ATOM 553 C LEU A 38 9.317 11.754 6.043 1.00 0.00 C ATOM 554 O LEU A 38 8.743 11.014 6.845 1.00 0.00 O ATOM 555 CB LEU A 38 11.715 12.489 6.376 1.00 0.00 C ATOM 556 CG LEU A 38 13.240 12.322 6.113 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.058 13.358 6.917 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.707 10.878 6.400 1.00 0.00 C ATOM 0 H LEU A 38 11.464 12.426 3.875 1.00 0.00 H new ATOM 0 HA LEU A 38 11.055 10.482 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.428 13.503 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.540 12.392 7.447 1.00 0.00 H new ATOM 0 HG LEU A 38 13.419 12.512 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.120 13.219 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.761 14.364 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.871 13.222 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.777 10.796 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.507 10.631 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.167 10.186 5.754 1.00 0.00 H new ATOM 570 N ASP A 39 8.734 12.819 5.467 1.00 0.00 N ATOM 571 CA ASP A 39 7.306 13.174 5.649 1.00 0.00 C ATOM 572 C ASP A 39 6.411 12.079 5.053 1.00 0.00 C ATOM 573 O ASP A 39 5.315 11.813 5.553 1.00 0.00 O ATOM 574 CB ASP A 39 7.006 14.537 4.967 1.00 0.00 C ATOM 575 CG ASP A 39 7.804 15.705 5.560 1.00 0.00 C ATOM 576 OD1 ASP A 39 9.046 15.729 5.413 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.203 16.619 6.164 1.00 0.00 O ATOM 0 H ASP A 39 9.238 13.464 4.858 1.00 0.00 H new ATOM 0 HA ASP A 39 7.096 13.259 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.228 14.459 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.941 14.752 5.056 1.00 0.00 H new ATOM 582 N PHE A 40 6.930 11.427 3.995 1.00 0.00 N ATOM 583 CA PHE A 40 6.250 10.340 3.297 1.00 0.00 C ATOM 584 C PHE A 40 6.323 9.059 4.144 1.00 0.00 C ATOM 585 O PHE A 40 5.459 8.208 4.016 1.00 0.00 O ATOM 586 CB PHE A 40 6.879 10.127 1.891 1.00 0.00 C ATOM 587 CG PHE A 40 6.145 9.100 1.032 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.977 9.445 0.355 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.611 7.788 0.915 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.301 8.512 -0.407 1.00 0.00 C ATOM 591 CE2 PHE A 40 5.933 6.860 0.152 1.00 0.00 C ATOM 592 CZ PHE A 40 4.780 7.222 -0.510 1.00 0.00 C ATOM 0 H PHE A 40 7.845 11.650 3.603 1.00 0.00 H new ATOM 0 HA PHE A 40 5.201 10.598 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.896 11.081 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.915 9.811 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.596 10.453 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.515 7.496 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.395 8.793 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.306 5.849 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.251 6.496 -1.110 1.00 0.00 H new ATOM 602 N LEU A 41 7.367 8.933 5.010 1.00 0.00 N ATOM 603 CA LEU A 41 7.451 7.833 5.999 1.00 0.00 C ATOM 604 C LEU A 41 6.271 7.927 6.967 1.00 0.00 C ATOM 605 O LEU A 41 5.609 6.937 7.215 1.00 0.00 O ATOM 606 CB LEU A 41 8.778 7.851 6.814 1.00 0.00 C ATOM 607 CG LEU A 41 10.081 7.559 6.024 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.311 7.549 6.961 1.00 0.00 C ATOM 609 CD2 LEU A 41 9.960 6.243 5.220 1.00 0.00 C ATOM 0 H LEU A 41 8.156 9.579 5.039 1.00 0.00 H new ATOM 0 HA LEU A 41 7.424 6.898 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.876 8.830 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.695 7.119 7.617 1.00 0.00 H new ATOM 0 HG LEU A 41 10.229 8.366 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.210 7.342 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.408 8.521 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.184 6.777 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.887 6.063 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.773 5.415 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.134 6.323 4.513 1.00 0.00 H new ATOM 621 N ASP A 42 6.020 9.144 7.491 1.00 0.00 N ATOM 622 CA ASP A 42 4.894 9.409 8.416 1.00 0.00 C ATOM 623 C ASP A 42 3.550 9.066 7.755 1.00 0.00 C ATOM 624 O ASP A 42 2.666 8.476 8.388 1.00 0.00 O ATOM 625 CB ASP A 42 4.904 10.885 8.891 1.00 0.00 C ATOM 626 CG ASP A 42 6.070 11.216 9.826 1.00 0.00 C ATOM 627 OD1 ASP A 42 5.971 10.900 11.036 1.00 0.00 O ATOM 628 OD2 ASP A 42 7.075 11.803 9.371 1.00 0.00 O ATOM 0 H ASP A 42 6.587 9.967 7.288 1.00 0.00 H new ATOM 0 HA ASP A 42 5.020 8.768 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.950 11.539 8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.966 11.101 9.402 1.00 0.00 H new ATOM 633 N ILE A 43 3.420 9.424 6.469 1.00 0.00 N ATOM 634 CA ILE A 43 2.240 9.076 5.662 1.00 0.00 C ATOM 635 C ILE A 43 2.150 7.549 5.463 1.00 0.00 C ATOM 636 O ILE A 43 1.087 6.972 5.647 1.00 0.00 O ATOM 637 CB ILE A 43 2.259 9.799 4.263 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.232 11.346 4.452 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.090 9.328 3.350 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.307 12.149 3.168 1.00 0.00 C ATOM 0 H ILE A 43 4.124 9.959 5.961 1.00 0.00 H new ATOM 0 HA ILE A 43 1.361 9.418 6.208 1.00 0.00 H new ATOM 0 HB ILE A 43 3.187 9.525 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.317 11.617 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.066 11.634 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.140 9.851 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.171 8.254 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.139 9.548 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.282 13.213 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.235 11.914 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.459 11.897 2.531 1.00 0.00 H new ATOM 652 N ALA A 44 3.292 6.902 5.166 1.00 0.00 N ATOM 653 CA ALA A 44 3.338 5.493 4.723 1.00 0.00 C ATOM 654 C ALA A 44 3.164 4.530 5.904 1.00 0.00 C ATOM 655 O ALA A 44 2.675 3.430 5.721 1.00 0.00 O ATOM 656 CB ALA A 44 4.660 5.210 3.993 1.00 0.00 C ATOM 0 H ALA A 44 4.211 7.341 5.226 1.00 0.00 H new ATOM 0 HA ALA A 44 2.509 5.329 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.682 4.169 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.741 5.861 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.496 5.400 4.667 1.00 0.00 H new ATOM 662 N PHE A 45 3.600 4.967 7.102 1.00 0.00 N ATOM 663 CA PHE A 45 3.407 4.234 8.370 1.00 0.00 C ATOM 664 C PHE A 45 1.958 4.387 8.843 1.00 0.00 C ATOM 665 O PHE A 45 1.404 3.472 9.449 1.00 0.00 O ATOM 666 CB PHE A 45 4.396 4.719 9.477 1.00 0.00 C ATOM 667 CG PHE A 45 5.815 4.156 9.360 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.043 2.791 9.521 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.913 4.979 9.110 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.320 2.268 9.434 1.00 0.00 C ATOM 671 CE2 PHE A 45 8.189 4.457 9.020 1.00 0.00 C ATOM 672 CZ PHE A 45 8.392 3.101 9.181 1.00 0.00 C ATOM 0 H PHE A 45 4.101 5.848 7.218 1.00 0.00 H new ATOM 0 HA PHE A 45 3.618 3.181 8.185 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.448 5.807 9.447 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.991 4.446 10.452 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.210 2.132 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.763 6.041 8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.479 1.208 9.564 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.027 5.109 8.824 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.389 2.692 9.109 1.00 0.00 H new ATOM 682 N ALA A 46 1.353 5.554 8.557 1.00 0.00 N ATOM 683 CA ALA A 46 -0.068 5.796 8.853 1.00 0.00 C ATOM 684 C ALA A 46 -0.962 4.932 7.931 1.00 0.00 C ATOM 685 O ALA A 46 -1.982 4.405 8.373 1.00 0.00 O ATOM 686 CB ALA A 46 -0.386 7.289 8.735 1.00 0.00 C ATOM 0 H ALA A 46 1.828 6.344 8.121 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.280 5.499 9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.440 7.455 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.226 7.848 9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.170 7.628 7.722 1.00 0.00 H new ATOM 692 N ILE A 47 -0.530 4.779 6.662 1.00 0.00 N ATOM 693 CA ILE A 47 -1.147 3.858 5.677 1.00 0.00 C ATOM 694 C ILE A 47 -0.964 2.398 6.127 1.00 0.00 C ATOM 695 O ILE A 47 -1.909 1.610 6.135 1.00 0.00 O ATOM 696 CB ILE A 47 -0.488 4.046 4.252 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.811 5.448 3.651 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.894 2.926 3.271 1.00 0.00 C ATOM 699 CD1 ILE A 47 -0.041 5.790 2.377 1.00 0.00 C ATOM 0 H ILE A 47 0.265 5.295 6.286 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.210 4.091 5.615 1.00 0.00 H new ATOM 0 HB ILE A 47 0.590 3.980 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.879 5.500 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.598 6.208 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.417 3.097 2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.575 1.962 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.977 2.927 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.331 6.783 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.029 5.775 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.271 5.056 1.605 1.00 0.00 H new ATOM 711 N ASP A 48 0.277 2.088 6.506 1.00 0.00 N ATOM 712 CA ASP A 48 0.737 0.745 6.907 1.00 0.00 C ATOM 713 C ASP A 48 -0.179 0.141 7.981 1.00 0.00 C ATOM 714 O ASP A 48 -0.716 -0.959 7.826 1.00 0.00 O ATOM 715 CB ASP A 48 2.185 0.900 7.444 1.00 0.00 C ATOM 716 CG ASP A 48 2.891 -0.396 7.835 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.591 -0.953 8.917 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.799 -0.835 7.102 1.00 0.00 O ATOM 0 H ASP A 48 1.020 2.785 6.546 1.00 0.00 H new ATOM 0 HA ASP A 48 0.710 0.066 6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.783 1.402 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.161 1.556 8.314 1.00 0.00 H new ATOM 723 N LYS A 49 -0.357 0.913 9.051 1.00 0.00 N ATOM 724 CA LYS A 49 -1.152 0.528 10.218 1.00 0.00 C ATOM 725 C LYS A 49 -2.662 0.566 9.910 1.00 0.00 C ATOM 726 O LYS A 49 -3.422 -0.260 10.425 1.00 0.00 O ATOM 727 CB LYS A 49 -0.787 1.465 11.394 1.00 0.00 C ATOM 728 CG LYS A 49 0.708 1.410 11.795 1.00 0.00 C ATOM 729 CD LYS A 49 1.095 2.481 12.840 1.00 0.00 C ATOM 730 CE LYS A 49 0.372 2.309 14.189 1.00 0.00 C ATOM 731 NZ LYS A 49 0.774 3.353 15.169 1.00 0.00 N ATOM 0 H LYS A 49 0.055 1.842 9.134 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.921 -0.502 10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.044 2.489 11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.396 1.201 12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.935 0.422 12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.322 1.542 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.172 2.444 13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.868 3.469 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.706 2.354 14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.594 1.323 14.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.266 3.203 16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.798 3.294 15.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.539 4.293 14.791 1.00 0.00 H new ATOM 745 N ALA A 50 -3.086 1.537 9.067 1.00 0.00 N ATOM 746 CA ALA A 50 -4.501 1.686 8.648 1.00 0.00 C ATOM 747 C ALA A 50 -5.026 0.418 7.941 1.00 0.00 C ATOM 748 O ALA A 50 -6.013 -0.184 8.381 1.00 0.00 O ATOM 749 CB ALA A 50 -4.676 2.921 7.738 1.00 0.00 C ATOM 0 H ALA A 50 -2.463 2.235 8.661 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.093 1.830 9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.722 3.010 7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.374 3.818 8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.056 2.808 6.848 1.00 0.00 H new ATOM 755 N PHE A 51 -4.334 0.010 6.867 1.00 0.00 N ATOM 756 CA PHE A 51 -4.711 -1.165 6.044 1.00 0.00 C ATOM 757 C PHE A 51 -4.281 -2.499 6.709 1.00 0.00 C ATOM 758 O PHE A 51 -4.652 -3.580 6.226 1.00 0.00 O ATOM 759 CB PHE A 51 -4.086 -1.052 4.626 1.00 0.00 C ATOM 760 CG PHE A 51 -4.623 0.100 3.776 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.139 1.398 3.931 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.606 -0.121 2.811 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.613 2.436 3.155 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.076 0.918 2.037 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.579 2.193 2.207 1.00 0.00 C ATOM 0 H PHE A 51 -3.492 0.483 6.538 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.798 -1.171 5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.007 -0.936 4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.257 -1.988 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.379 1.595 4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.002 -1.116 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.227 3.435 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.837 0.733 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.949 3.002 1.595 1.00 0.00 H new ATOM 775 N GLY A 52 -3.516 -2.407 7.826 1.00 0.00 N ATOM 776 CA GLY A 52 -2.995 -3.580 8.536 1.00 0.00 C ATOM 777 C GLY A 52 -1.963 -4.372 7.733 1.00 0.00 C ATOM 778 O GLY A 52 -1.837 -5.585 7.911 1.00 0.00 O ATOM 0 H GLY A 52 -3.250 -1.518 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.543 -3.256 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.826 -4.237 8.793 1.00 0.00 H new ATOM 782 N ILE A 53 -1.221 -3.679 6.853 1.00 0.00 N ATOM 783 CA ILE A 53 -0.212 -4.298 5.964 1.00 0.00 C ATOM 784 C ILE A 53 1.204 -3.843 6.346 1.00 0.00 C ATOM 785 O ILE A 53 1.405 -3.250 7.407 1.00 0.00 O ATOM 786 CB ILE A 53 -0.549 -4.010 4.433 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.859 -2.493 4.127 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.725 -4.891 3.984 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.333 -1.570 4.032 1.00 0.00 C ATOM 0 H ILE A 53 -1.301 -2.669 6.735 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.247 -5.379 6.098 1.00 0.00 H new ATOM 0 HB ILE A 53 0.348 -4.258 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.408 -2.439 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.522 -2.116 4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.951 -4.690 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.459 -5.941 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.601 -4.667 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.008 -0.557 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.876 -1.579 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.992 -1.907 3.232 1.00 0.00 H new ATOM 801 N LYS A 54 2.185 -4.157 5.489 1.00 0.00 N ATOM 802 CA LYS A 54 3.569 -3.712 5.664 1.00 0.00 C ATOM 803 C LYS A 54 4.134 -3.259 4.319 1.00 0.00 C ATOM 804 O LYS A 54 4.312 -4.079 3.410 1.00 0.00 O ATOM 805 CB LYS A 54 4.435 -4.834 6.300 1.00 0.00 C ATOM 806 CG LYS A 54 5.928 -4.472 6.535 1.00 0.00 C ATOM 807 CD LYS A 54 6.173 -3.212 7.416 1.00 0.00 C ATOM 808 CE LYS A 54 5.681 -3.335 8.871 1.00 0.00 C ATOM 809 NZ LYS A 54 4.204 -3.298 8.988 1.00 0.00 N ATOM 0 H LYS A 54 2.039 -4.727 4.656 1.00 0.00 H new ATOM 0 HA LYS A 54 3.590 -2.865 6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.992 -5.114 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.389 -5.713 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.423 -5.324 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.405 -4.317 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.241 -2.995 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.679 -2.359 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.050 -4.268 9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.107 -2.525 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.938 -2.823 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.805 -2.776 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.832 -4.269 8.990 1.00 0.00 H new ATOM 823 N LEU A 55 4.377 -1.940 4.185 1.00 0.00 N ATOM 824 CA LEU A 55 5.052 -1.360 3.023 1.00 0.00 C ATOM 825 C LEU A 55 6.580 -1.501 3.198 1.00 0.00 C ATOM 826 O LEU A 55 7.120 -1.039 4.217 1.00 0.00 O ATOM 827 CB LEU A 55 4.679 0.149 2.869 1.00 0.00 C ATOM 828 CG LEU A 55 3.153 0.483 2.742 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.905 2.008 2.664 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.512 -0.247 1.539 1.00 0.00 C ATOM 0 H LEU A 55 4.107 -1.250 4.886 1.00 0.00 H new ATOM 0 HA LEU A 55 4.731 -1.890 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.076 0.688 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.188 0.538 1.987 1.00 0.00 H new ATOM 0 HG LEU A 55 2.669 0.119 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.835 2.199 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.286 2.485 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.419 2.416 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.454 0.007 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.010 0.060 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.620 -1.324 1.667 1.00 0.00 H new ATOM 842 N PRO A 56 7.305 -2.163 2.241 1.00 0.00 N ATOM 843 CA PRO A 56 8.775 -2.158 2.212 1.00 0.00 C ATOM 844 C PRO A 56 9.279 -0.828 1.621 1.00 0.00 C ATOM 845 O PRO A 56 9.796 -0.792 0.510 1.00 0.00 O ATOM 846 CB PRO A 56 9.145 -3.394 1.326 1.00 0.00 C ATOM 847 CG PRO A 56 7.836 -4.031 0.947 1.00 0.00 C ATOM 848 CD PRO A 56 6.769 -2.978 1.132 1.00 0.00 C ATOM 0 HA PRO A 56 9.237 -2.233 3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.702 -3.088 0.441 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.776 -4.093 1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.860 -4.380 -0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.634 -4.901 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.623 -2.386 0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.804 -3.419 1.383 1.00 0.00 H new ATOM 856 N LEU A 57 9.083 0.262 2.381 1.00 0.00 N ATOM 857 CA LEU A 57 9.362 1.643 1.926 1.00 0.00 C ATOM 858 C LEU A 57 10.851 1.839 1.660 1.00 0.00 C ATOM 859 O LEU A 57 11.229 2.491 0.693 1.00 0.00 O ATOM 860 CB LEU A 57 8.852 2.694 2.978 1.00 0.00 C ATOM 861 CG LEU A 57 7.957 3.848 2.412 1.00 0.00 C ATOM 862 CD1 LEU A 57 8.758 4.788 1.486 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.711 3.279 1.691 1.00 0.00 C ATOM 0 H LEU A 57 8.725 0.214 3.335 1.00 0.00 H new ATOM 0 HA LEU A 57 8.822 1.801 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.287 2.166 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.718 3.139 3.468 1.00 0.00 H new ATOM 0 HG LEU A 57 7.614 4.443 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.103 5.576 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.581 5.234 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.156 4.219 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.106 4.100 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.028 2.644 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.121 2.691 2.394 1.00 0.00 H new ATOM 875 N GLU A 58 11.671 1.252 2.534 1.00 0.00 N ATOM 876 CA GLU A 58 13.133 1.334 2.452 1.00 0.00 C ATOM 877 C GLU A 58 13.618 0.648 1.163 1.00 0.00 C ATOM 878 O GLU A 58 14.504 1.158 0.469 1.00 0.00 O ATOM 879 CB GLU A 58 13.743 0.695 3.732 1.00 0.00 C ATOM 880 CG GLU A 58 15.178 1.126 4.079 1.00 0.00 C ATOM 881 CD GLU A 58 16.269 0.562 3.146 1.00 0.00 C ATOM 882 OE1 GLU A 58 16.481 -0.669 3.149 1.00 0.00 O ATOM 883 OE2 GLU A 58 16.894 1.334 2.388 1.00 0.00 O ATOM 0 H GLU A 58 11.338 0.702 3.325 1.00 0.00 H new ATOM 0 HA GLU A 58 13.462 2.372 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.098 0.935 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.728 -0.389 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.230 2.215 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.398 0.816 5.100 1.00 0.00 H new ATOM 890 N LYS A 59 12.986 -0.494 0.856 1.00 0.00 N ATOM 891 CA LYS A 59 13.236 -1.255 -0.378 1.00 0.00 C ATOM 892 C LYS A 59 12.851 -0.420 -1.605 1.00 0.00 C ATOM 893 O LYS A 59 13.647 -0.261 -2.519 1.00 0.00 O ATOM 894 CB LYS A 59 12.438 -2.581 -0.360 1.00 0.00 C ATOM 895 CG LYS A 59 12.695 -3.528 -1.560 1.00 0.00 C ATOM 896 CD LYS A 59 11.839 -4.821 -1.491 1.00 0.00 C ATOM 897 CE LYS A 59 12.063 -5.622 -0.191 1.00 0.00 C ATOM 898 NZ LYS A 59 11.241 -6.852 -0.133 1.00 0.00 N ATOM 0 H LYS A 59 12.283 -0.919 1.460 1.00 0.00 H new ATOM 0 HA LYS A 59 14.299 -1.488 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.675 -3.115 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.374 -2.345 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.476 -3.000 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.751 -3.796 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.785 -4.557 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.076 -5.453 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.117 -5.889 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.827 -4.991 0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.428 -7.353 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.233 -6.599 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.483 -7.469 -0.934 1.00 0.00 H new ATOM 912 N TRP A 60 11.639 0.149 -1.576 1.00 0.00 N ATOM 913 CA TRP A 60 11.082 0.943 -2.687 1.00 0.00 C ATOM 914 C TRP A 60 11.958 2.163 -2.985 1.00 0.00 C ATOM 915 O TRP A 60 12.262 2.446 -4.141 1.00 0.00 O ATOM 916 CB TRP A 60 9.631 1.386 -2.362 1.00 0.00 C ATOM 917 CG TRP A 60 8.626 0.259 -2.293 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.830 -1.070 -2.565 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.244 0.380 -1.942 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.668 -1.766 -2.395 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.679 -0.901 -2.021 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.430 1.454 -1.572 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.346 -1.144 -1.736 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.105 1.211 -1.291 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.573 -0.078 -1.378 1.00 0.00 C ATOM 0 H TRP A 60 11.010 0.073 -0.777 1.00 0.00 H new ATOM 0 HA TRP A 60 11.065 0.313 -3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.632 1.913 -1.408 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.305 2.099 -3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.772 -1.502 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.556 -2.771 -2.526 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.833 2.454 -1.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.933 -2.140 -1.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.465 2.031 -0.998 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.527 -0.234 -1.157 1.00 0.00 H new ATOM 936 N THR A 61 12.406 2.826 -1.911 1.00 0.00 N ATOM 937 CA THR A 61 13.211 4.051 -1.987 1.00 0.00 C ATOM 938 C THR A 61 14.654 3.731 -2.424 1.00 0.00 C ATOM 939 O THR A 61 15.272 4.533 -3.129 1.00 0.00 O ATOM 940 CB THR A 61 13.185 4.811 -0.615 1.00 0.00 C ATOM 941 OG1 THR A 61 11.818 5.082 -0.261 1.00 0.00 O ATOM 942 CG2 THR A 61 13.970 6.139 -0.637 1.00 0.00 C ATOM 0 H THR A 61 12.218 2.523 -0.955 1.00 0.00 H new ATOM 0 HA THR A 61 12.775 4.706 -2.742 1.00 0.00 H new ATOM 0 HB THR A 61 13.670 4.167 0.118 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.409 4.271 0.107 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.911 6.613 0.343 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.013 5.941 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.541 6.803 -1.387 1.00 0.00 H new ATOM 950 N GLN A 62 15.171 2.526 -2.065 1.00 0.00 N ATOM 951 CA GLN A 62 16.552 2.137 -2.421 1.00 0.00 C ATOM 952 C GLN A 62 16.579 1.758 -3.911 1.00 0.00 C ATOM 953 O GLN A 62 17.525 2.077 -4.593 1.00 0.00 O ATOM 954 CB GLN A 62 17.112 0.981 -1.513 1.00 0.00 C ATOM 955 CG GLN A 62 16.719 -0.462 -1.918 1.00 0.00 C ATOM 956 CD GLN A 62 17.108 -1.545 -0.903 1.00 0.00 C ATOM 957 OE1 GLN A 62 17.420 -2.675 -1.272 1.00 0.00 O ATOM 958 NE2 GLN A 62 17.026 -1.235 0.379 1.00 0.00 N ATOM 0 H GLN A 62 14.657 1.820 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 62 17.214 2.985 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.200 1.050 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.773 1.154 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.641 -0.500 -2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.187 -0.696 -2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.765 -0.290 0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.224 -1.941 1.088 1.00 0.00 H new ATOM 967 N GLU A 63 15.489 1.122 -4.401 1.00 0.00 N ATOM 968 CA GLU A 63 15.326 0.749 -5.824 1.00 0.00 C ATOM 969 C GLU A 63 15.228 2.008 -6.695 1.00 0.00 C ATOM 970 O GLU A 63 15.876 2.110 -7.739 1.00 0.00 O ATOM 971 CB GLU A 63 14.053 -0.118 -6.010 1.00 0.00 C ATOM 972 CG GLU A 63 14.097 -1.486 -5.306 1.00 0.00 C ATOM 973 CD GLU A 63 12.733 -2.195 -5.318 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.837 -1.788 -4.551 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.537 -3.138 -6.111 1.00 0.00 O ATOM 0 H GLU A 63 14.696 0.853 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 63 16.197 0.171 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.193 0.439 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.892 -0.278 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.837 -2.120 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.424 -1.351 -4.275 1.00 0.00 H new ATOM 982 N VAL A 64 14.418 2.961 -6.222 1.00 0.00 N ATOM 983 CA VAL A 64 14.226 4.274 -6.858 1.00 0.00 C ATOM 984 C VAL A 64 15.578 5.010 -7.033 1.00 0.00 C ATOM 985 O VAL A 64 15.955 5.367 -8.161 1.00 0.00 O ATOM 986 CB VAL A 64 13.173 5.121 -6.026 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.301 6.640 -6.259 1.00 0.00 C ATOM 988 CG2 VAL A 64 11.728 4.642 -6.332 1.00 0.00 C ATOM 0 H VAL A 64 13.867 2.842 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 64 13.822 4.135 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 64 13.395 4.949 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.554 7.164 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.297 6.971 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.142 6.861 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.018 5.233 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.521 4.765 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.629 3.590 -6.063 1.00 0.00 H new ATOM 998 N ASN A 65 16.315 5.199 -5.923 1.00 0.00 N ATOM 999 CA ASN A 65 17.602 5.936 -5.926 1.00 0.00 C ATOM 1000 C ASN A 65 18.790 5.073 -6.411 1.00 0.00 C ATOM 1001 O ASN A 65 19.899 5.595 -6.540 1.00 0.00 O ATOM 1002 CB ASN A 65 17.901 6.546 -4.523 1.00 0.00 C ATOM 1003 CG ASN A 65 16.953 7.698 -4.159 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.211 8.855 -4.489 1.00 0.00 O ATOM 1005 ND2 ASN A 65 15.857 7.395 -3.477 1.00 0.00 N ATOM 0 H ASN A 65 16.042 4.850 -5.004 1.00 0.00 H new ATOM 0 HA ASN A 65 17.489 6.747 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.821 5.764 -3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.929 6.907 -4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.202 8.130 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.669 6.427 -3.217 1.00 0.00 H new ATOM 1012 N ASP A 66 18.577 3.760 -6.663 1.00 0.00 N ATOM 1013 CA ASP A 66 19.612 2.881 -7.281 1.00 0.00 C ATOM 1014 C ASP A 66 19.414 2.804 -8.808 1.00 0.00 C ATOM 1015 O ASP A 66 20.255 2.254 -9.525 1.00 0.00 O ATOM 1016 CB ASP A 66 19.539 1.455 -6.663 1.00 0.00 C ATOM 1017 CG ASP A 66 20.763 0.575 -6.959 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.788 0.709 -6.248 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.712 -0.258 -7.886 1.00 0.00 O ATOM 0 H ASP A 66 17.701 3.282 -6.450 1.00 0.00 H new ATOM 0 HA ASP A 66 20.594 3.308 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.423 1.545 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.647 0.954 -7.038 1.00 0.00 H new ATOM 1024 N GLY A 67 18.306 3.395 -9.301 1.00 0.00 N ATOM 1025 CA GLY A 67 17.915 3.281 -10.711 1.00 0.00 C ATOM 1026 C GLY A 67 17.353 1.913 -11.097 1.00 0.00 C ATOM 1027 O GLY A 67 17.281 1.598 -12.281 1.00 0.00 O ATOM 0 H GLY A 67 17.668 3.957 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.168 4.044 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.783 3.494 -11.335 1.00 0.00 H new ATOM 1031 N LYS A 68 16.975 1.089 -10.101 1.00 0.00 N ATOM 1032 CA LYS A 68 16.274 -0.195 -10.340 1.00 0.00 C ATOM 1033 C LYS A 68 14.829 0.068 -10.807 1.00 0.00 C ATOM 1034 O LYS A 68 14.311 -0.619 -11.689 1.00 0.00 O ATOM 1035 CB LYS A 68 16.260 -1.064 -9.049 1.00 0.00 C ATOM 1036 CG LYS A 68 17.644 -1.489 -8.472 1.00 0.00 C ATOM 1037 CD LYS A 68 18.303 -2.709 -9.178 1.00 0.00 C ATOM 1038 CE LYS A 68 18.897 -2.400 -10.564 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.481 -3.602 -11.198 1.00 0.00 N ATOM 0 H LYS A 68 17.143 1.289 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 68 16.810 -0.737 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.724 -0.514 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.686 -1.967 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.324 -0.640 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.524 -1.722 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.093 -3.100 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.558 -3.498 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.119 -1.992 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.665 -1.633 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.870 -3.349 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.241 -3.977 -10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.743 -4.326 -11.316 1.00 0.00 H new ATOM 1053 N ALA A 69 14.201 1.079 -10.192 1.00 0.00 N ATOM 1054 CA ALA A 69 12.823 1.497 -10.482 1.00 0.00 C ATOM 1055 C ALA A 69 12.786 3.007 -10.669 1.00 0.00 C ATOM 1056 O ALA A 69 13.609 3.730 -10.090 1.00 0.00 O ATOM 1057 CB ALA A 69 11.889 1.086 -9.332 1.00 0.00 C ATOM 0 H ALA A 69 14.645 1.640 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 69 12.483 1.008 -11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.871 1.402 -9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.915 0.003 -9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.218 1.562 -8.408 1.00 0.00 H new ATOM 1063 N THR A 70 11.848 3.472 -11.501 1.00 0.00 N ATOM 1064 CA THR A 70 11.541 4.897 -11.651 1.00 0.00 C ATOM 1065 C THR A 70 10.796 5.389 -10.386 1.00 0.00 C ATOM 1066 O THR A 70 10.112 4.594 -9.719 1.00 0.00 O ATOM 1067 CB THR A 70 10.671 5.129 -12.944 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.222 4.373 -14.033 1.00 0.00 O ATOM 1069 CG2 THR A 70 10.610 6.612 -13.362 1.00 0.00 C ATOM 0 H THR A 70 11.278 2.867 -12.092 1.00 0.00 H new ATOM 0 HA THR A 70 12.464 5.466 -11.762 1.00 0.00 H new ATOM 0 HB THR A 70 9.658 4.804 -12.708 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.680 4.515 -14.837 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.998 6.713 -14.258 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.172 7.200 -12.555 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.617 6.974 -13.568 1.00 0.00 H new ATOM 1077 N THR A 71 10.960 6.685 -10.053 1.00 0.00 N ATOM 1078 CA THR A 71 10.353 7.305 -8.851 1.00 0.00 C ATOM 1079 C THR A 71 8.817 7.109 -8.843 1.00 0.00 C ATOM 1080 O THR A 71 8.248 6.559 -7.897 1.00 0.00 O ATOM 1081 CB THR A 71 10.693 8.838 -8.778 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.175 9.498 -9.943 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.207 9.104 -8.674 1.00 0.00 C ATOM 0 H THR A 71 11.517 7.334 -10.608 1.00 0.00 H new ATOM 0 HA THR A 71 10.775 6.809 -7.977 1.00 0.00 H new ATOM 0 HB THR A 71 10.229 9.230 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.385 10.454 -9.898 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.385 10.178 -8.627 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.598 8.631 -7.773 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.710 8.691 -9.548 1.00 0.00 H new ATOM 1091 N GLU A 72 8.184 7.556 -9.945 1.00 0.00 N ATOM 1092 CA GLU A 72 6.726 7.461 -10.203 1.00 0.00 C ATOM 1093 C GLU A 72 6.121 6.047 -10.013 1.00 0.00 C ATOM 1094 O GLU A 72 4.938 5.933 -9.668 1.00 0.00 O ATOM 1095 CB GLU A 72 6.446 7.986 -11.639 1.00 0.00 C ATOM 1096 CG GLU A 72 7.173 7.209 -12.744 1.00 0.00 C ATOM 1097 CD GLU A 72 6.970 7.806 -14.145 1.00 0.00 C ATOM 1098 OE1 GLU A 72 7.726 8.728 -14.520 1.00 0.00 O ATOM 1099 OE2 GLU A 72 6.065 7.349 -14.880 1.00 0.00 O ATOM 0 H GLU A 72 8.687 8.009 -10.708 1.00 0.00 H new ATOM 0 HA GLU A 72 6.231 8.074 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.373 7.944 -11.826 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.739 9.034 -11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.239 7.184 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.823 6.177 -12.743 1.00 0.00 H new ATOM 1106 N GLN A 73 6.935 4.993 -10.234 1.00 0.00 N ATOM 1107 CA GLN A 73 6.473 3.585 -10.136 1.00 0.00 C ATOM 1108 C GLN A 73 5.903 3.273 -8.730 1.00 0.00 C ATOM 1109 O GLN A 73 4.968 2.475 -8.591 1.00 0.00 O ATOM 1110 CB GLN A 73 7.613 2.589 -10.485 1.00 0.00 C ATOM 1111 CG GLN A 73 7.158 1.109 -10.549 1.00 0.00 C ATOM 1112 CD GLN A 73 8.309 0.120 -10.706 1.00 0.00 C ATOM 1113 OE1 GLN A 73 8.704 -0.228 -11.815 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.851 -0.334 -9.593 1.00 0.00 N ATOM 0 H GLN A 73 7.920 5.088 -10.483 1.00 0.00 H new ATOM 0 HA GLN A 73 5.673 3.460 -10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.044 2.868 -11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.405 2.683 -9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.605 0.868 -9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.468 0.986 -11.384 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.496 -0.022 -8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.625 -0.997 -9.636 1.00 0.00 H new ATOM 1123 N TYR A 74 6.475 3.914 -7.702 1.00 0.00 N ATOM 1124 CA TYR A 74 6.048 3.737 -6.303 1.00 0.00 C ATOM 1125 C TYR A 74 5.396 5.010 -5.750 1.00 0.00 C ATOM 1126 O TYR A 74 4.517 4.925 -4.890 1.00 0.00 O ATOM 1127 CB TYR A 74 7.254 3.340 -5.412 1.00 0.00 C ATOM 1128 CG TYR A 74 7.884 1.978 -5.759 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.116 0.808 -5.738 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.236 1.858 -6.092 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.678 -0.422 -6.035 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.799 0.632 -6.386 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.019 -0.503 -6.358 1.00 0.00 C ATOM 1134 OH TYR A 74 9.582 -1.725 -6.662 1.00 0.00 O ATOM 0 H TYR A 74 7.247 4.571 -7.814 1.00 0.00 H new ATOM 0 HA TYR A 74 5.308 2.937 -6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.020 4.112 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.930 3.322 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.067 0.866 -5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.854 2.743 -6.120 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.071 -1.315 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.847 0.563 -6.637 1.00 0.00 H new ATOM 0 HH TYR A 74 10.228 -1.970 -5.967 1.00 0.00 H new ATOM 1144 N PHE A 75 5.820 6.192 -6.239 1.00 0.00 N ATOM 1145 CA PHE A 75 5.469 7.480 -5.611 1.00 0.00 C ATOM 1146 C PHE A 75 4.367 8.249 -6.377 1.00 0.00 C ATOM 1147 O PHE A 75 4.085 9.389 -6.023 1.00 0.00 O ATOM 1148 CB PHE A 75 6.738 8.359 -5.465 1.00 0.00 C ATOM 1149 CG PHE A 75 7.826 7.786 -4.547 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.523 7.375 -3.247 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.149 7.672 -4.974 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.506 6.868 -2.411 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.128 7.169 -4.136 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.808 6.765 -2.856 1.00 0.00 C ATOM 0 H PHE A 75 6.407 6.281 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 75 5.060 7.253 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.166 8.518 -6.455 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.442 9.337 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.508 7.453 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.413 7.981 -5.974 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.252 6.553 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.147 7.092 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.574 6.370 -2.205 1.00 0.00 H new ATOM 1164 N VAL A 76 3.736 7.643 -7.402 1.00 0.00 N ATOM 1165 CA VAL A 76 2.507 8.214 -8.008 1.00 0.00 C ATOM 1166 C VAL A 76 1.325 7.533 -7.328 1.00 0.00 C ATOM 1167 O VAL A 76 1.251 6.327 -7.328 1.00 0.00 O ATOM 1168 CB VAL A 76 2.444 8.063 -9.579 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.005 8.220 -10.139 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.383 9.091 -10.253 1.00 0.00 C ATOM 0 H VAL A 76 4.048 6.770 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 76 2.492 9.292 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 76 2.773 7.050 -9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.022 8.107 -11.223 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.360 7.456 -9.705 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.621 9.207 -9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.330 8.977 -11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.074 10.100 -9.979 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.407 8.922 -9.920 1.00 0.00 H new ATOM 1180 N LEU A 77 0.417 8.339 -6.769 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.612 7.924 -5.790 1.00 0.00 C ATOM 1182 C LEU A 77 -1.522 6.761 -6.242 1.00 0.00 C ATOM 1183 O LEU A 77 -2.025 6.032 -5.392 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.454 9.158 -5.412 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.640 10.346 -4.814 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.530 11.565 -4.590 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.098 9.938 -3.516 1.00 0.00 C ATOM 0 H LEU A 77 0.370 9.334 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.077 7.525 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.981 9.507 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.213 8.856 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 77 0.122 10.621 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.936 12.378 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.960 11.881 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.331 11.308 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.654 10.792 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.628 9.611 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.789 9.123 -3.731 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.754 6.606 -7.560 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.539 5.463 -8.100 1.00 0.00 C ATOM 1201 C LYS A 78 -1.678 4.181 -8.114 1.00 0.00 C ATOM 1202 O LYS A 78 -2.181 3.086 -7.845 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.099 5.775 -9.520 1.00 0.00 C ATOM 1204 CG LYS A 78 -2.019 6.075 -10.583 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.591 6.364 -11.987 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.478 6.643 -13.015 1.00 0.00 C ATOM 1207 NZ LYS A 78 -2.010 6.876 -14.375 1.00 0.00 N ATOM 0 H LYS A 78 -1.414 7.251 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.394 5.300 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.696 4.927 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.771 6.630 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.430 6.932 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.338 5.226 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.186 5.513 -12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.262 7.222 -11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.905 7.514 -12.698 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.789 5.799 -13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.292 6.609 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.865 6.301 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.248 7.882 -14.487 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.376 4.347 -8.423 1.00 0.00 N ATOM 1222 CA ASN A 79 0.620 3.249 -8.412 1.00 0.00 C ATOM 1223 C ASN A 79 0.905 2.828 -6.966 1.00 0.00 C ATOM 1224 O ASN A 79 1.023 1.646 -6.679 1.00 0.00 O ATOM 1225 CB ASN A 79 1.958 3.667 -9.093 1.00 0.00 C ATOM 1226 CG ASN A 79 1.832 4.020 -10.575 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.842 4.601 -11.011 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.838 3.668 -11.363 1.00 0.00 N ATOM 0 H ASN A 79 0.019 5.249 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 79 0.198 2.418 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.369 4.526 -8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.675 2.853 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.803 3.879 -12.360 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.648 3.186 -10.972 1.00 0.00 H new ATOM 1235 N LEU A 80 1.007 3.833 -6.078 1.00 0.00 N ATOM 1236 CA LEU A 80 1.193 3.664 -4.634 1.00 0.00 C ATOM 1237 C LEU A 80 -0.004 2.910 -4.056 1.00 0.00 C ATOM 1238 O LEU A 80 0.174 1.915 -3.376 1.00 0.00 O ATOM 1239 CB LEU A 80 1.340 5.051 -3.941 1.00 0.00 C ATOM 1240 CG LEU A 80 1.504 5.033 -2.381 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.796 4.299 -1.940 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.426 6.461 -1.791 1.00 0.00 C ATOM 0 H LEU A 80 0.960 4.813 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 80 2.103 3.092 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.204 5.558 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.464 5.651 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 80 0.667 4.464 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.868 4.311 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.766 3.267 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.664 4.802 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.543 6.414 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.221 7.074 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.459 6.902 -2.033 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.220 3.376 -4.400 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.486 2.749 -3.964 1.00 0.00 C ATOM 1256 C ALA A 81 -2.602 1.312 -4.491 1.00 0.00 C ATOM 1257 O ALA A 81 -3.157 0.443 -3.819 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.688 3.593 -4.416 1.00 0.00 C ATOM 0 H ALA A 81 -1.354 4.198 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.484 2.706 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.611 3.117 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.618 4.589 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.689 3.673 -5.503 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.048 1.078 -5.692 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.004 -0.253 -6.300 1.00 0.00 C ATOM 1266 C ALA A 82 -0.983 -1.143 -5.574 1.00 0.00 C ATOM 1267 O ALA A 82 -1.223 -2.330 -5.410 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.682 -0.152 -7.795 1.00 0.00 C ATOM 0 H ALA A 82 -1.621 1.807 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.987 -0.714 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.654 -1.151 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.450 0.439 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.713 0.329 -7.927 1.00 0.00 H new ATOM 1274 N ARG A 83 0.142 -0.550 -5.123 1.00 0.00 N ATOM 1275 CA ARG A 83 1.190 -1.268 -4.365 1.00 0.00 C ATOM 1276 C ARG A 83 0.659 -1.715 -2.992 1.00 0.00 C ATOM 1277 O ARG A 83 0.893 -2.846 -2.571 1.00 0.00 O ATOM 1278 CB ARG A 83 2.463 -0.386 -4.170 1.00 0.00 C ATOM 1279 CG ARG A 83 3.333 -0.144 -5.431 1.00 0.00 C ATOM 1280 CD ARG A 83 3.759 -1.459 -6.117 1.00 0.00 C ATOM 1281 NE ARG A 83 4.316 -2.457 -5.157 1.00 0.00 N ATOM 1282 CZ ARG A 83 3.898 -3.738 -5.049 1.00 0.00 C ATOM 1283 NH1 ARG A 83 3.033 -4.238 -5.906 1.00 0.00 N ATOM 1284 NH2 ARG A 83 4.400 -4.526 -4.115 1.00 0.00 N ATOM 0 H ARG A 83 0.350 0.437 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 83 1.465 -2.146 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.151 0.582 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.088 -0.851 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.776 0.468 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.222 0.421 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.899 -1.893 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.505 -1.240 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 83 5.066 -2.150 -4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.670 -3.657 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.725 -5.206 -5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.106 -4.169 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.081 -5.492 -4.037 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.057 -0.800 -2.321 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.671 -1.039 -1.002 1.00 0.00 C ATOM 1300 C ILE A 84 -1.721 -2.154 -1.121 1.00 0.00 C ATOM 1301 O ILE A 84 -1.700 -3.107 -0.353 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.331 0.284 -0.467 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.257 1.416 -0.350 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.067 0.062 0.884 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.818 2.821 -0.262 1.00 0.00 C ATOM 0 H ILE A 84 -0.229 0.138 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 84 0.098 -1.350 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.087 0.596 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.353 1.228 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.406 1.359 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.508 1.002 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.853 -0.681 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.357 -0.290 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.001 3.536 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.403 3.036 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.456 2.903 0.618 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.597 -2.022 -2.137 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.674 -2.997 -2.438 1.00 0.00 C ATOM 1319 C ASP A 85 -3.096 -4.384 -2.789 1.00 0.00 C ATOM 1320 O ASP A 85 -3.676 -5.418 -2.443 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.552 -2.464 -3.601 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.750 -3.374 -3.937 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.820 -3.213 -3.310 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.630 -4.255 -4.818 1.00 0.00 O ATOM 0 H ASP A 85 -2.580 -1.230 -2.780 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.290 -3.114 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.922 -1.472 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.932 -2.350 -4.490 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.955 -4.372 -3.486 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.201 -5.571 -3.873 1.00 0.00 C ATOM 1331 C GLU A 86 -0.680 -6.300 -2.618 1.00 0.00 C ATOM 1332 O GLU A 86 -0.634 -7.531 -2.570 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.049 -5.122 -4.822 1.00 0.00 C ATOM 1334 CG GLU A 86 0.446 -6.158 -5.839 1.00 0.00 C ATOM 1335 CD GLU A 86 1.330 -7.270 -5.259 1.00 0.00 C ATOM 1336 OE1 GLU A 86 2.415 -6.952 -4.708 1.00 0.00 O ATOM 1337 OE2 GLU A 86 0.970 -8.461 -5.373 1.00 0.00 O ATOM 0 H GLU A 86 -1.519 -3.507 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.836 -6.283 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.382 -4.240 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.798 -4.815 -4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.419 -6.616 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.005 -5.640 -6.619 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.320 -5.504 -1.600 1.00 0.00 N ATOM 1345 CA LEU A 87 0.165 -6.002 -0.302 1.00 0.00 C ATOM 1346 C LEU A 87 -1.001 -6.343 0.652 1.00 0.00 C ATOM 1347 O LEU A 87 -0.800 -7.099 1.601 1.00 0.00 O ATOM 1348 CB LEU A 87 1.127 -4.967 0.333 1.00 0.00 C ATOM 1349 CG LEU A 87 2.432 -4.684 -0.482 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.277 -3.582 0.173 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.261 -5.974 -0.698 1.00 0.00 C ATOM 0 H LEU A 87 -0.357 -4.486 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 87 0.712 -6.929 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.589 -4.028 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.407 -5.317 1.327 1.00 0.00 H new ATOM 0 HG LEU A 87 2.126 -4.324 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.176 -3.412 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.697 -2.661 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.559 -3.890 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.160 -5.738 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.543 -6.391 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.664 -6.702 -1.247 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.209 -5.766 0.411 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.459 -6.173 1.116 1.00 0.00 C ATOM 1365 C VAL A 88 -3.919 -7.544 0.576 1.00 0.00 C ATOM 1366 O VAL A 88 -4.429 -8.394 1.315 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.609 -5.095 0.979 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.915 -5.552 1.691 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.164 -3.709 1.528 1.00 0.00 C ATOM 0 H VAL A 88 -2.345 -5.016 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.240 -6.250 2.181 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.815 -4.995 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.681 -4.785 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.265 -6.484 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.716 -5.708 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.980 -2.995 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.904 -3.802 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.296 -3.358 0.970 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.666 -7.758 -0.719 1.00 0.00 N ATOM 1380 CA ALA A 89 -3.917 -9.038 -1.390 1.00 0.00 C ATOM 1381 C ALA A 89 -2.910 -10.097 -0.898 1.00 0.00 C ATOM 1382 O ALA A 89 -3.270 -11.257 -0.651 1.00 0.00 O ATOM 1383 CB ALA A 89 -3.844 -8.841 -2.909 1.00 0.00 C ATOM 0 H ALA A 89 -3.279 -7.043 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.916 -9.398 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.030 -9.792 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.596 -8.115 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.854 -8.476 -3.181 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.647 -9.659 -0.740 1.00 0.00 N ATOM 1390 CA ALA A 90 -0.566 -10.466 -0.147 1.00 0.00 C ATOM 1391 C ALA A 90 -0.813 -10.732 1.359 1.00 0.00 C ATOM 1392 O ALA A 90 -0.361 -11.750 1.899 1.00 0.00 O ATOM 1393 CB ALA A 90 0.778 -9.757 -0.360 1.00 0.00 C ATOM 0 H ALA A 90 -1.346 -8.726 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.546 -11.435 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.578 -10.354 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.960 -9.635 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.752 -8.778 0.118 1.00 0.00 H new ATOM 1399 N LYS A 91 -1.507 -9.785 2.030 1.00 0.00 N ATOM 1400 CA LYS A 91 -1.944 -9.925 3.443 1.00 0.00 C ATOM 1401 C LYS A 91 -2.966 -11.061 3.581 1.00 0.00 C ATOM 1402 O LYS A 91 -2.950 -11.805 4.568 1.00 0.00 O ATOM 1403 CB LYS A 91 -2.545 -8.587 3.958 1.00 0.00 C ATOM 1404 CG LYS A 91 -3.204 -8.642 5.356 1.00 0.00 C ATOM 1405 CD LYS A 91 -3.823 -7.291 5.787 1.00 0.00 C ATOM 1406 CE LYS A 91 -4.528 -7.377 7.151 1.00 0.00 C ATOM 1407 NZ LYS A 91 -3.624 -7.883 8.216 1.00 0.00 N ATOM 0 H LYS A 91 -1.782 -8.898 1.608 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.074 -10.171 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.753 -7.839 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.289 -8.244 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.980 -9.407 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.458 -8.945 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.040 -6.534 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.538 -6.965 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.899 -6.391 7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.395 -8.033 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.107 -7.829 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.370 -8.871 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.761 -7.303 8.244 1.00 0.00 H new ATOM 1421 N GLY A 92 -3.831 -11.209 2.567 1.00 0.00 N ATOM 1422 CA GLY A 92 -4.794 -12.305 2.530 1.00 0.00 C ATOM 1423 C GLY A 92 -4.198 -13.587 1.946 1.00 0.00 C ATOM 1424 O GLY A 92 -4.928 -14.559 1.717 1.00 0.00 O ATOM 0 H GLY A 92 -3.879 -10.581 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.154 -12.502 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.658 -12.006 1.936 1.00 0.00 H new ATOM 1428 N ALA A 93 -2.865 -13.555 1.676 1.00 0.00 N ATOM 1429 CA ALA A 93 -2.078 -14.674 1.119 1.00 0.00 C ATOM 1430 C ALA A 93 -2.511 -15.106 -0.301 1.00 0.00 C ATOM 1431 O ALA A 93 -1.928 -16.052 -0.844 1.00 0.00 O ATOM 1432 CB ALA A 93 -2.063 -15.868 2.095 1.00 0.00 C ATOM 0 H ALA A 93 -2.299 -12.724 1.847 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.061 -14.299 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.478 -16.681 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.617 -15.560 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.084 -16.208 2.270 1.00 0.00 H new ATOM 1438 N LEU A 94 -3.469 -14.370 -0.920 1.00 0.00 N ATOM 1439 CA LEU A 94 -4.118 -14.753 -2.202 1.00 0.00 C ATOM 1440 C LEU A 94 -4.605 -16.226 -2.225 1.00 0.00 C ATOM 1441 O LEU A 94 -4.729 -16.879 -1.181 1.00 0.00 O ATOM 1442 CB LEU A 94 -3.164 -14.416 -3.399 1.00 0.00 C ATOM 1443 CG LEU A 94 -2.986 -12.889 -3.684 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -1.890 -12.611 -4.727 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -4.326 -12.252 -4.113 1.00 0.00 C ATOM 0 H LEU A 94 -3.816 -13.488 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.027 -14.160 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.185 -14.851 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.548 -14.897 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.662 -12.427 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.806 -11.536 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.937 -12.999 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.149 -13.100 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.178 -11.189 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.687 -12.739 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.060 -12.378 -3.317 1.00 0.00 H new ATOM 1457 N GLU A 95 -4.950 -16.703 -3.424 1.00 0.00 N ATOM 1458 CA GLU A 95 -5.314 -18.114 -3.675 1.00 0.00 C ATOM 1459 C GLU A 95 -4.696 -18.590 -5.002 1.00 0.00 C ATOM 1460 O GLU A 95 -4.677 -19.789 -5.293 1.00 0.00 O ATOM 1461 CB GLU A 95 -6.859 -18.301 -3.710 1.00 0.00 C ATOM 1462 CG GLU A 95 -7.583 -17.648 -4.912 1.00 0.00 C ATOM 1463 CD GLU A 95 -7.646 -16.117 -4.840 1.00 0.00 C ATOM 1464 OE1 GLU A 95 -8.605 -15.586 -4.249 1.00 0.00 O ATOM 1465 OE2 GLU A 95 -6.733 -15.434 -5.367 1.00 0.00 O ATOM 0 H GLU A 95 -4.987 -16.121 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.919 -18.715 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.078 -19.369 -3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.278 -17.892 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.075 -17.938 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.598 -18.042 -4.970 1.00 0.00 H new ATOM 1472 N HIS A 96 -4.225 -17.627 -5.823 1.00 0.00 N ATOM 1473 CA HIS A 96 -3.498 -17.913 -7.080 1.00 0.00 C ATOM 1474 C HIS A 96 -1.990 -17.651 -6.897 1.00 0.00 C ATOM 1475 O HIS A 96 -1.255 -17.562 -7.886 1.00 0.00 O ATOM 1476 CB HIS A 96 -4.063 -17.046 -8.241 1.00 0.00 C ATOM 1477 CG HIS A 96 -3.761 -15.566 -8.144 1.00 0.00 C ATOM 1478 ND1 HIS A 96 -2.682 -14.975 -8.773 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -4.398 -14.565 -7.496 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -2.673 -13.681 -8.514 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -3.705 -13.410 -7.742 1.00 0.00 N ATOM 0 H HIS A 96 -4.337 -16.631 -5.634 1.00 0.00 H new ATOM 0 HA HIS A 96 -3.639 -18.964 -7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.662 -17.422 -9.182 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.144 -17.178 -8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -5.290 -14.659 -6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.946 -12.968 -8.873 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -3.949 -12.487 -7.384 1.00 0.00 H new ATOM 1490 N HIS A 97 -1.560 -17.523 -5.614 1.00 0.00 N ATOM 1491 CA HIS A 97 -0.179 -17.158 -5.211 1.00 0.00 C ATOM 1492 C HIS A 97 0.164 -15.704 -5.578 1.00 0.00 C ATOM 1493 O HIS A 97 -0.550 -15.065 -6.357 1.00 0.00 O ATOM 1494 CB HIS A 97 0.878 -18.139 -5.775 1.00 0.00 C ATOM 1495 CG HIS A 97 0.837 -19.515 -5.170 1.00 0.00 C ATOM 1496 ND1 HIS A 97 0.659 -20.656 -5.913 1.00 0.00 N ATOM 1497 CD2 HIS A 97 0.967 -19.924 -3.888 1.00 0.00 C ATOM 1498 CE1 HIS A 97 0.693 -21.707 -5.122 1.00 0.00 C ATOM 1499 NE2 HIS A 97 0.877 -21.290 -3.888 1.00 0.00 N ATOM 0 H HIS A 97 -2.177 -17.674 -4.816 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.148 -17.240 -4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.737 -18.225 -6.852 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.870 -17.715 -5.616 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.114 -19.291 -3.025 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.588 -22.736 -5.433 1.00 0.00 H new ATOM 0 HE2 HIS A 97 0.942 -21.888 -3.064 1.00 0.00 H new ATOM 1508 N HIS A 98 1.266 -15.189 -4.998 1.00 0.00 N ATOM 1509 CA HIS A 98 1.681 -13.784 -5.171 1.00 0.00 C ATOM 1510 C HIS A 98 2.231 -13.572 -6.600 1.00 0.00 C ATOM 1511 O HIS A 98 1.500 -13.104 -7.477 1.00 0.00 O ATOM 1512 CB HIS A 98 2.701 -13.395 -4.073 1.00 0.00 C ATOM 1513 CG HIS A 98 2.974 -11.919 -3.975 1.00 0.00 C ATOM 1514 ND1 HIS A 98 4.188 -11.342 -4.275 1.00 0.00 N ATOM 1515 CD2 HIS A 98 2.167 -10.905 -3.593 1.00 0.00 C ATOM 1516 CE1 HIS A 98 4.114 -10.038 -4.078 1.00 0.00 C ATOM 1517 NE2 HIS A 98 2.899 -9.749 -3.662 1.00 0.00 N ATOM 0 H HIS A 98 1.889 -15.732 -4.400 1.00 0.00 H new ATOM 0 HA HIS A 98 0.822 -13.123 -5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.333 -13.749 -3.110 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.640 -13.914 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.134 -10.990 -3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 98 4.914 -9.329 -4.232 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.558 -8.816 -3.429 1.00 0.00 H new ATOM 1526 N HIS A 99 3.503 -13.955 -6.842 1.00 0.00 N ATOM 1527 CA HIS A 99 4.092 -13.974 -8.201 1.00 0.00 C ATOM 1528 C HIS A 99 3.819 -15.350 -8.839 1.00 0.00 C ATOM 1529 O HIS A 99 3.042 -15.459 -9.794 1.00 0.00 O ATOM 1530 CB HIS A 99 5.613 -13.656 -8.170 1.00 0.00 C ATOM 1531 CG HIS A 99 5.945 -12.201 -7.974 1.00 0.00 C ATOM 1532 ND1 HIS A 99 6.412 -11.678 -6.791 1.00 0.00 N ATOM 1533 CD2 HIS A 99 5.897 -11.167 -8.844 1.00 0.00 C ATOM 1534 CE1 HIS A 99 6.621 -10.382 -6.939 1.00 0.00 C ATOM 1535 NE2 HIS A 99 6.323 -10.045 -8.176 1.00 0.00 N ATOM 0 H HIS A 99 4.146 -14.257 -6.110 1.00 0.00 H new ATOM 0 HA HIS A 99 3.626 -13.195 -8.805 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.075 -14.232 -7.368 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.061 -13.995 -9.104 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.581 -11.215 -9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.977 -9.710 -6.172 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.396 -9.108 -8.572 1.00 0.00 H new ATOM 1544 N HIS A 100 4.458 -16.397 -8.285 1.00 0.00 N ATOM 1545 CA HIS A 100 4.176 -17.804 -8.628 1.00 0.00 C ATOM 1546 C HIS A 100 4.048 -18.614 -7.325 1.00 0.00 C ATOM 1547 O HIS A 100 3.332 -19.612 -7.272 1.00 0.00 O ATOM 1548 CB HIS A 100 5.283 -18.397 -9.544 1.00 0.00 C ATOM 1549 CG HIS A 100 4.897 -19.701 -10.212 1.00 0.00 C ATOM 1550 ND1 HIS A 100 4.534 -19.787 -11.540 1.00 0.00 N ATOM 1551 CD2 HIS A 100 4.806 -20.963 -9.727 1.00 0.00 C ATOM 1552 CE1 HIS A 100 4.233 -21.036 -11.835 1.00 0.00 C ATOM 1553 NE2 HIS A 100 4.393 -21.765 -10.753 1.00 0.00 N ATOM 0 H HIS A 100 5.189 -16.290 -7.582 1.00 0.00 H new ATOM 0 HA HIS A 100 3.241 -17.856 -9.186 1.00 0.00 H new ATOM 0 HB2 HIS A 100 5.533 -17.667 -10.313 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.184 -18.557 -8.951 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.020 -21.277 -8.716 1.00 0.00 H new ATOM 0 HE1 HIS A 100 3.910 -21.398 -12.800 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.234 -22.771 -10.689 1.00 0.00 H new ATOM 1562 N HIS A 101 4.761 -18.167 -6.281 1.00 0.00 N ATOM 1563 CA HIS A 101 4.682 -18.731 -4.928 1.00 0.00 C ATOM 1564 C HIS A 101 4.465 -17.560 -3.933 1.00 0.00 C ATOM 1565 O HIS A 101 5.458 -16.907 -3.543 1.00 0.00 O ATOM 1566 CB HIS A 101 5.971 -19.540 -4.606 1.00 0.00 C ATOM 1567 CG HIS A 101 5.971 -20.182 -3.241 1.00 0.00 C ATOM 1568 ND1 HIS A 101 6.496 -19.570 -2.123 1.00 0.00 N ATOM 1569 CD2 HIS A 101 5.498 -21.378 -2.818 1.00 0.00 C ATOM 1570 CE1 HIS A 101 6.350 -20.359 -1.079 1.00 0.00 C ATOM 1571 NE2 HIS A 101 5.745 -21.463 -1.469 1.00 0.00 N ATOM 1572 OXT HIS A 101 3.305 -17.273 -3.579 1.00 0.00 O ATOM 0 H HIS A 101 5.419 -17.391 -6.355 1.00 0.00 H new ATOM 0 HA HIS A 101 3.847 -19.427 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 101 6.098 -20.316 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.832 -18.876 -4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.016 -22.127 -3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.672 -20.138 -0.072 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.500 -22.250 -0.869 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.520 10.398 1.423 1.00 0.00 P HETATM 1583 O25 PNS A 102 14.616 10.184 -0.026 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.712 9.222 2.293 1.00 0.00 O HETATM 1585 O27 PNS A 102 15.510 11.580 1.914 1.00 0.00 O HETATM 1586 C28 PNS A 102 15.329 12.989 1.615 1.00 0.00 C HETATM 1587 C29 PNS A 102 15.691 13.421 0.131 1.00 0.00 C HETATM 1588 C30 PNS A 102 14.474 13.175 -0.826 1.00 0.00 C HETATM 1589 C31 PNS A 102 16.921 12.588 -0.349 1.00 0.00 C HETATM 1590 C32 PNS A 102 16.013 14.980 0.134 1.00 0.00 C HETATM 1591 O33 PNS A 102 17.183 15.234 0.939 1.00 0.00 O HETATM 1592 C34 PNS A 102 16.241 15.567 -1.287 1.00 0.00 C HETATM 1593 O35 PNS A 102 15.416 16.344 -1.788 1.00 0.00 O HETATM 1594 N36 PNS A 102 17.371 15.202 -1.909 1.00 0.00 N HETATM 1595 C37 PNS A 102 17.735 15.673 -3.254 1.00 0.00 C HETATM 1596 C38 PNS A 102 19.114 15.169 -3.693 1.00 0.00 C HETATM 1597 C39 PNS A 102 19.591 15.779 -5.016 1.00 0.00 C HETATM 1598 O40 PNS A 102 19.914 15.061 -5.970 1.00 0.00 O HETATM 1599 N41 PNS A 102 19.639 17.118 -5.058 1.00 0.00 N HETATM 1600 C42 PNS A 102 20.062 17.868 -6.254 1.00 0.00 C HETATM 1601 C43 PNS A 102 20.008 19.369 -6.010 1.00 0.00 C HETATM 1602 S44 PNS A 102 18.361 19.909 -5.515 1.00 0.00 S HETATM 0 H432 PNS A 102 20.726 19.637 -5.235 1.00 0.00 H new HETATM 0 H431 PNS A 102 20.306 19.895 -6.917 1.00 0.00 H new HETATM 0 H422 PNS A 102 19.418 17.610 -7.095 1.00 0.00 H new HETATM 0 H421 PNS A 102 21.076 17.578 -6.529 1.00 0.00 H new HETATM 0 H382 PNS A 102 19.082 14.084 -3.792 1.00 0.00 H new HETATM 0 H381 PNS A 102 19.841 15.396 -2.913 1.00 0.00 H new HETATM 0 H372 PNS A 102 17.727 16.763 -3.269 1.00 0.00 H new HETATM 0 H371 PNS A 102 16.984 15.339 -3.969 1.00 0.00 H new HETATM 0 H313 PNS A 102 17.180 12.876 -1.368 1.00 0.00 H new HETATM 0 H312 PNS A 102 16.674 11.527 -0.323 1.00 0.00 H new HETATM 0 H311 PNS A 102 17.769 12.779 0.309 1.00 0.00 H new HETATM 0 H303 PNS A 102 14.741 13.477 -1.839 1.00 0.00 H new HETATM 0 H302 PNS A 102 13.620 13.760 -0.486 1.00 0.00 H new HETATM 0 H301 PNS A 102 14.214 12.116 -0.819 1.00 0.00 H new HETATM 0 H282 PNS A 102 15.941 13.571 2.304 1.00 0.00 H new HETATM 0 H281 PNS A 102 14.290 13.254 1.809 1.00 0.00 H new HETATM 0 H44 PNS A 102 18.367 21.194 -5.317 1.00 0.00 H new HETATM 0 H41 PNS A 102 19.371 17.641 -4.225 1.00 0.00 H new HETATM 0 H36 PNS A 102 18.008 14.568 -1.427 1.00 0.00 H new HETATM 0 H33 PNS A 102 17.379 16.194 0.937 1.00 0.00 H new HETATM 0 H32 PNS A 102 15.135 15.475 0.550 1.00 0.00 H new