USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 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 30 THR OG1 : rot 71:sc= -4.15! USER MOD Set 1.2: A 63 ASN : amide:sc= 0.188 K(o=-4,f=-4.6) USER MOD Single : A 8 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.6) USER MOD Single : A 10 SER OG : rot 180:sc= -0.722 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.535 X(o=-0.53,f=-0.91!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 108:sc= 1.72 USER MOD Single : A 25 CYS SG : rot 79:sc= -3.77! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -151:sc= -0.201 USER MOD Single : A 37 HIS : no HE2:sc= -9.1! C(o=-9.1!,f=-12!) USER MOD Single : A 41 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.061) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.49) USER MOD Single : A 46 ASN : amide:sc=-0.00994 X(o=-0.0099,f=-0.41) USER MOD Single : A 48 CYS SG : rot 170:sc= 0 USER MOD Single : A 53 SER OG : rot -141:sc= -4.65! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.349 K(o=-0.35,f=-1.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0.268 (180deg=0.252) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 139:sc= -0.124 (180deg=-0.339) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 107 CYS SG : rot 180:sc= -1.8 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -3.49! K(o=-3.5!,f=-1) USER MOD Single : A 122 MET CE :methyl -158:sc= -2.99! (180deg=-4.39!) USER MOD Single : A 124 CYS SG : rot 180:sc= -0.974 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.051 3.118 -19.333 1.00 0.00 N ATOM 59 CA VAL A 4 1.870 4.201 -18.805 1.00 0.00 C ATOM 60 C VAL A 4 1.846 5.413 -19.727 1.00 0.00 C ATOM 61 O VAL A 4 2.106 5.306 -20.926 1.00 0.00 O ATOM 62 CB VAL A 4 3.331 3.760 -18.589 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.453 2.907 -17.334 1.00 0.00 C ATOM 64 CG2 VAL A 4 3.859 3.017 -19.809 1.00 0.00 C ATOM 0 HA VAL A 4 1.439 4.473 -17.841 1.00 0.00 H new ATOM 0 HB VAL A 4 3.941 4.653 -18.452 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.492 2.605 -17.199 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.127 3.484 -16.469 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.828 2.020 -17.435 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.892 2.716 -19.633 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.249 2.132 -19.988 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.815 3.671 -20.680 1.00 0.00 H new ATOM 74 N VAL A 5 1.531 6.564 -19.150 1.00 0.00 N ATOM 75 CA VAL A 5 1.467 7.815 -19.895 1.00 0.00 C ATOM 76 C VAL A 5 2.851 8.445 -20.024 1.00 0.00 C ATOM 77 O VAL A 5 3.707 8.252 -19.160 1.00 0.00 O ATOM 78 CB VAL A 5 0.519 8.823 -19.220 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.928 8.390 -19.388 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.869 8.983 -17.748 1.00 0.00 C ATOM 0 H VAL A 5 1.314 6.658 -18.158 1.00 0.00 H new ATOM 0 HA VAL A 5 1.083 7.575 -20.887 1.00 0.00 H new ATOM 0 HB VAL A 5 0.642 9.791 -19.706 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.583 9.115 -18.904 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.170 8.334 -20.449 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.070 7.411 -18.931 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.188 9.699 -17.288 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.777 8.020 -17.245 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.893 9.344 -17.655 1.00 0.00 H new ATOM 90 N PRO A 6 3.089 9.210 -21.110 1.00 0.00 N ATOM 91 CA PRO A 6 4.368 9.875 -21.361 1.00 0.00 C ATOM 92 C PRO A 6 5.075 10.302 -20.077 1.00 0.00 C ATOM 93 O PRO A 6 6.295 10.189 -19.960 1.00 0.00 O ATOM 94 CB PRO A 6 3.943 11.086 -22.180 1.00 0.00 C ATOM 95 CG PRO A 6 2.772 10.610 -22.977 1.00 0.00 C ATOM 96 CD PRO A 6 2.121 9.495 -22.185 1.00 0.00 C ATOM 0 HA PRO A 6 5.090 9.226 -21.857 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.671 11.923 -21.537 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.750 11.430 -22.827 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.067 11.423 -23.149 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.091 10.252 -23.956 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.156 9.802 -21.782 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.943 8.616 -22.805 1.00 0.00 H new ATOM 104 N ASP A 7 4.296 10.775 -19.109 1.00 0.00 N ATOM 105 CA ASP A 7 4.835 11.196 -17.831 1.00 0.00 C ATOM 106 C ASP A 7 3.955 10.664 -16.707 1.00 0.00 C ATOM 107 O ASP A 7 2.997 11.310 -16.286 1.00 0.00 O ATOM 108 CB ASP A 7 4.935 12.718 -17.767 1.00 0.00 C ATOM 109 CG ASP A 7 5.948 13.273 -18.750 1.00 0.00 C ATOM 110 OD1 ASP A 7 7.137 12.907 -18.647 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.551 14.073 -19.624 1.00 0.00 O ATOM 0 H ASP A 7 3.284 10.875 -19.192 1.00 0.00 H new ATOM 0 HA ASP A 7 5.840 10.790 -17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.957 13.153 -17.973 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.211 13.019 -16.756 1.00 0.00 H new ATOM 116 N GLN A 8 4.288 9.475 -16.232 1.00 0.00 N ATOM 117 CA GLN A 8 3.539 8.837 -15.160 1.00 0.00 C ATOM 118 C GLN A 8 3.582 9.709 -13.920 1.00 0.00 C ATOM 119 O GLN A 8 2.567 9.933 -13.261 1.00 0.00 O ATOM 120 CB GLN A 8 4.116 7.453 -14.858 1.00 0.00 C ATOM 121 CG GLN A 8 3.987 6.475 -16.014 1.00 0.00 C ATOM 122 CD GLN A 8 5.284 5.747 -16.310 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.867 5.110 -15.433 1.00 0.00 O ATOM 124 NE2 GLN A 8 5.743 5.838 -17.554 1.00 0.00 N ATOM 0 H GLN A 8 5.078 8.928 -16.574 1.00 0.00 H new ATOM 0 HA GLN A 8 2.502 8.715 -15.474 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.169 7.557 -14.596 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.610 7.040 -13.985 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.210 5.746 -15.783 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.665 7.013 -16.906 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.227 6.377 -18.250 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.611 5.369 -17.813 1.00 0.00 H new ATOM 133 N ARG A 9 4.767 10.224 -13.631 1.00 0.00 N ATOM 134 CA ARG A 9 4.955 11.105 -12.496 1.00 0.00 C ATOM 135 C ARG A 9 4.221 12.412 -12.734 1.00 0.00 C ATOM 136 O ARG A 9 3.865 13.106 -11.791 1.00 0.00 O ATOM 137 CB ARG A 9 6.442 11.371 -12.260 1.00 0.00 C ATOM 138 CG ARG A 9 7.163 11.927 -13.478 1.00 0.00 C ATOM 139 CD ARG A 9 8.546 11.317 -13.636 1.00 0.00 C ATOM 140 NE ARG A 9 8.483 9.894 -13.962 1.00 0.00 N ATOM 141 CZ ARG A 9 9.555 9.119 -14.109 1.00 0.00 C ATOM 142 NH1 ARG A 9 10.773 9.623 -13.960 1.00 0.00 N ATOM 143 NH2 ARG A 9 9.409 7.835 -14.406 1.00 0.00 N ATOM 0 H ARG A 9 5.614 10.044 -14.171 1.00 0.00 H new ATOM 0 HA ARG A 9 4.549 10.622 -11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.550 12.073 -11.433 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.925 10.442 -11.955 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.573 11.729 -14.373 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.250 13.010 -13.387 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.088 11.845 -14.421 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.110 11.453 -12.713 1.00 0.00 H new ATOM 0 HE ARG A 9 7.563 9.470 -14.084 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.892 10.610 -13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.590 9.024 -14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.475 7.441 -14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.230 7.241 -14.519 1.00 0.00 H new ATOM 157 N SER A 10 3.994 12.745 -14.002 1.00 0.00 N ATOM 158 CA SER A 10 3.292 13.981 -14.329 1.00 0.00 C ATOM 159 C SER A 10 1.876 13.953 -13.774 1.00 0.00 C ATOM 160 O SER A 10 1.361 14.971 -13.310 1.00 0.00 O ATOM 161 CB SER A 10 3.260 14.216 -15.844 1.00 0.00 C ATOM 162 OG SER A 10 2.320 15.220 -16.182 1.00 0.00 O ATOM 0 H SER A 10 4.280 12.187 -14.806 1.00 0.00 H new ATOM 0 HA SER A 10 3.836 14.805 -13.868 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.251 14.509 -16.191 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.005 13.287 -16.354 1.00 0.00 H new ATOM 0 HG SER A 10 2.319 15.353 -17.153 1.00 0.00 H new ATOM 168 N LYS A 11 1.252 12.782 -13.811 1.00 0.00 N ATOM 169 CA LYS A 11 -0.102 12.632 -13.296 1.00 0.00 C ATOM 170 C LYS A 11 -0.081 12.399 -11.802 1.00 0.00 C ATOM 171 O LYS A 11 -0.863 12.989 -11.067 1.00 0.00 O ATOM 172 CB LYS A 11 -0.828 11.489 -14.006 1.00 0.00 C ATOM 173 CG LYS A 11 -1.441 11.891 -15.338 1.00 0.00 C ATOM 174 CD LYS A 11 -0.392 11.953 -16.438 1.00 0.00 C ATOM 175 CE LYS A 11 -0.032 13.389 -16.787 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.638 13.816 -18.079 1.00 0.00 N ATOM 0 H LYS A 11 1.660 11.927 -14.190 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.645 13.557 -13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.127 10.671 -14.171 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.614 11.109 -13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.217 11.176 -15.613 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.924 12.863 -15.239 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.503 11.420 -16.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.765 11.444 -17.327 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.371 14.052 -15.991 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.052 13.488 -16.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.369 14.800 -18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.295 13.200 -18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.674 13.747 -18.016 1.00 0.00 H new ATOM 190 N PHE A 12 0.830 11.565 -11.346 1.00 0.00 N ATOM 191 CA PHE A 12 0.945 11.301 -9.933 1.00 0.00 C ATOM 192 C PHE A 12 1.391 12.574 -9.212 1.00 0.00 C ATOM 193 O PHE A 12 1.197 12.714 -8.004 1.00 0.00 O ATOM 194 CB PHE A 12 1.917 10.134 -9.703 1.00 0.00 C ATOM 195 CG PHE A 12 2.747 10.242 -8.458 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.905 10.992 -8.458 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.371 9.585 -7.298 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.681 11.091 -7.318 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.140 9.676 -6.154 1.00 0.00 C ATOM 200 CZ PHE A 12 4.297 10.433 -6.163 1.00 0.00 C ATOM 0 H PHE A 12 1.497 11.062 -11.932 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.021 11.008 -9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.346 9.207 -9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.584 10.060 -10.562 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.208 11.507 -9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.466 8.995 -7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.586 11.681 -7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.839 9.158 -5.256 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.900 10.511 -5.270 1.00 0.00 H new ATOM 210 N GLU A 13 1.995 13.499 -9.965 1.00 0.00 N ATOM 211 CA GLU A 13 2.472 14.757 -9.391 1.00 0.00 C ATOM 212 C GLU A 13 1.515 15.924 -9.649 1.00 0.00 C ATOM 213 O GLU A 13 1.466 16.873 -8.869 1.00 0.00 O ATOM 214 CB GLU A 13 3.867 15.100 -9.930 1.00 0.00 C ATOM 215 CG GLU A 13 3.861 15.745 -11.308 1.00 0.00 C ATOM 216 CD GLU A 13 5.220 15.700 -11.979 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.845 14.618 -11.981 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.660 16.744 -12.503 1.00 0.00 O ATOM 0 H GLU A 13 2.163 13.400 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 13 2.522 14.608 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.360 15.773 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.463 14.188 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.131 15.238 -11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.538 16.782 -11.218 1.00 0.00 H new ATOM 225 N ASN A 14 0.793 15.877 -10.765 1.00 0.00 N ATOM 226 CA ASN A 14 -0.113 16.967 -11.127 1.00 0.00 C ATOM 227 C ASN A 14 -1.571 16.670 -10.782 1.00 0.00 C ATOM 228 O ASN A 14 -2.346 17.589 -10.519 1.00 0.00 O ATOM 229 CB ASN A 14 0.008 17.270 -12.621 1.00 0.00 C ATOM 230 CG ASN A 14 -0.610 18.605 -12.992 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.786 18.852 -12.728 1.00 0.00 O ATOM 232 ND2 ASN A 14 0.184 19.473 -13.608 1.00 0.00 N ATOM 0 H ASN A 14 0.815 15.104 -11.430 1.00 0.00 H new ATOM 0 HA ASN A 14 0.186 17.834 -10.538 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.060 17.268 -12.905 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.477 16.477 -13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.175 20.387 -13.882 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.153 19.225 -13.807 1.00 0.00 H new ATOM 239 N GLU A 15 -1.951 15.399 -10.793 1.00 0.00 N ATOM 240 CA GLU A 15 -3.333 15.030 -10.488 1.00 0.00 C ATOM 241 C GLU A 15 -3.691 15.397 -9.048 1.00 0.00 C ATOM 242 O GLU A 15 -2.909 15.168 -8.127 1.00 0.00 O ATOM 243 CB GLU A 15 -3.559 13.541 -10.741 1.00 0.00 C ATOM 244 CG GLU A 15 -3.876 13.217 -12.190 1.00 0.00 C ATOM 245 CD GLU A 15 -4.492 11.843 -12.361 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.695 11.691 -12.062 1.00 0.00 O ATOM 247 OE2 GLU A 15 -3.773 10.919 -12.794 1.00 0.00 O ATOM 0 H GLU A 15 -1.335 14.615 -11.006 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.990 15.593 -11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.668 12.990 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.378 13.193 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.559 13.969 -12.585 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.961 13.277 -12.780 1.00 0.00 H new ATOM 254 N GLU A 16 -4.872 15.990 -8.871 1.00 0.00 N ATOM 255 CA GLU A 16 -5.337 16.424 -7.551 1.00 0.00 C ATOM 256 C GLU A 16 -5.463 15.263 -6.565 1.00 0.00 C ATOM 257 O GLU A 16 -4.653 15.144 -5.646 1.00 0.00 O ATOM 258 CB GLU A 16 -6.673 17.167 -7.665 1.00 0.00 C ATOM 259 CG GLU A 16 -7.668 16.517 -8.613 1.00 0.00 C ATOM 260 CD GLU A 16 -8.150 17.462 -9.696 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.378 18.367 -10.080 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.296 17.298 -10.161 1.00 0.00 O ATOM 0 H GLU A 16 -5.528 16.182 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.580 17.103 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.123 17.236 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.482 18.186 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.205 15.646 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.525 16.158 -8.043 1.00 0.00 H new ATOM 269 N PHE A 17 -6.469 14.407 -6.747 1.00 0.00 N ATOM 270 CA PHE A 17 -6.662 13.273 -5.853 1.00 0.00 C ATOM 271 C PHE A 17 -5.371 12.482 -5.759 1.00 0.00 C ATOM 272 O PHE A 17 -4.969 12.041 -4.685 1.00 0.00 O ATOM 273 CB PHE A 17 -7.828 12.399 -6.351 1.00 0.00 C ATOM 274 CG PHE A 17 -7.586 10.917 -6.265 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.723 10.297 -7.150 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.221 10.150 -5.301 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.493 8.934 -7.076 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.998 8.788 -5.222 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.132 8.180 -6.111 1.00 0.00 C ATOM 0 H PHE A 17 -7.155 14.479 -7.499 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.920 13.627 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.719 12.642 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.041 12.659 -7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.223 10.883 -7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.898 10.622 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.815 8.461 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.499 8.200 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.955 7.116 -6.051 1.00 0.00 H new ATOM 289 N PHE A 18 -4.729 12.317 -6.901 1.00 0.00 N ATOM 290 CA PHE A 18 -3.490 11.595 -6.988 1.00 0.00 C ATOM 291 C PHE A 18 -2.430 12.310 -6.160 1.00 0.00 C ATOM 292 O PHE A 18 -1.515 11.684 -5.638 1.00 0.00 O ATOM 293 CB PHE A 18 -3.097 11.564 -8.453 1.00 0.00 C ATOM 294 CG PHE A 18 -2.422 10.316 -8.889 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.445 9.705 -8.134 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.805 9.755 -10.081 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.852 8.534 -8.574 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.227 8.588 -10.534 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.246 7.975 -9.779 1.00 0.00 C ATOM 0 H PHE A 18 -5.060 12.684 -7.793 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.589 10.580 -6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.992 11.707 -9.058 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.437 12.408 -8.656 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.140 10.142 -7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.570 10.234 -10.673 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.085 8.058 -7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.539 8.156 -11.473 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.787 7.062 -10.127 1.00 0.00 H new ATOM 309 N ARG A 19 -2.576 13.632 -6.034 1.00 0.00 N ATOM 310 CA ARG A 19 -1.644 14.436 -5.252 1.00 0.00 C ATOM 311 C ARG A 19 -2.012 14.380 -3.773 1.00 0.00 C ATOM 312 O ARG A 19 -1.246 13.870 -2.950 1.00 0.00 O ATOM 313 CB ARG A 19 -1.657 15.890 -5.729 1.00 0.00 C ATOM 314 CG ARG A 19 -0.522 16.233 -6.680 1.00 0.00 C ATOM 315 CD ARG A 19 0.251 17.455 -6.205 1.00 0.00 C ATOM 316 NE ARG A 19 -0.637 18.544 -5.804 1.00 0.00 N ATOM 317 CZ ARG A 19 -0.240 19.604 -5.103 1.00 0.00 C ATOM 318 NH1 ARG A 19 1.026 19.722 -4.723 1.00 0.00 N ATOM 319 NH2 ARG A 19 -1.112 20.550 -4.782 1.00 0.00 N ATOM 0 H ARG A 19 -3.332 14.164 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.643 14.028 -5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.607 16.092 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.603 16.548 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.155 15.382 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.924 16.419 -7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.886 17.177 -5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.910 17.799 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.618 18.489 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.702 18.998 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.324 20.537 -4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.086 20.465 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.809 21.362 -4.245 1.00 0.00 H new ATOM 333 N LYS A 20 -3.203 14.886 -3.439 1.00 0.00 N ATOM 334 CA LYS A 20 -3.665 14.870 -2.053 1.00 0.00 C ATOM 335 C LYS A 20 -3.490 13.475 -1.468 1.00 0.00 C ATOM 336 O LYS A 20 -3.268 13.317 -0.268 1.00 0.00 O ATOM 337 CB LYS A 20 -5.123 15.324 -1.944 1.00 0.00 C ATOM 338 CG LYS A 20 -6.045 14.692 -2.970 1.00 0.00 C ATOM 339 CD LYS A 20 -7.014 15.711 -3.554 1.00 0.00 C ATOM 340 CE LYS A 20 -8.435 15.171 -3.592 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.445 16.252 -3.416 1.00 0.00 N ATOM 0 H LYS A 20 -3.855 15.306 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.061 15.575 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.492 15.089 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.164 16.408 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.452 14.252 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.605 13.880 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.986 16.624 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.698 15.979 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.606 14.666 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.561 14.425 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.401 15.843 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.298 16.718 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.342 16.951 -4.179 1.00 0.00 H new ATOM 355 N LEU A 21 -3.559 12.466 -2.334 1.00 0.00 N ATOM 356 CA LEU A 21 -3.367 11.089 -1.902 1.00 0.00 C ATOM 357 C LEU A 21 -1.886 10.734 -1.976 1.00 0.00 C ATOM 358 O LEU A 21 -1.361 10.053 -1.097 1.00 0.00 O ATOM 359 CB LEU A 21 -4.187 10.116 -2.759 1.00 0.00 C ATOM 360 CG LEU A 21 -5.709 10.153 -2.548 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.308 8.777 -2.794 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.063 10.637 -1.148 1.00 0.00 C ATOM 0 H LEU A 21 -3.745 12.577 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.714 10.999 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.980 10.324 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.837 9.103 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.129 10.859 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.386 8.817 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.098 8.466 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.870 8.060 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.147 10.652 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.627 9.964 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.669 11.642 -1.000 1.00 0.00 H new ATOM 374 N SER A 22 -1.206 11.233 -3.017 1.00 0.00 N ATOM 375 CA SER A 22 0.231 10.992 -3.185 1.00 0.00 C ATOM 376 C SER A 22 1.000 11.412 -1.935 1.00 0.00 C ATOM 377 O SER A 22 2.162 11.049 -1.759 1.00 0.00 O ATOM 378 CB SER A 22 0.774 11.753 -4.396 1.00 0.00 C ATOM 379 OG SER A 22 2.175 11.949 -4.295 1.00 0.00 O ATOM 0 H SER A 22 -1.626 11.803 -3.751 1.00 0.00 H new ATOM 0 HA SER A 22 0.369 9.923 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.547 11.200 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.274 12.718 -4.476 1.00 0.00 H new ATOM 0 HG SER A 22 2.634 11.365 -4.934 1.00 0.00 H new ATOM 385 N ARG A 23 0.350 12.187 -1.075 1.00 0.00 N ATOM 386 CA ARG A 23 0.977 12.658 0.149 1.00 0.00 C ATOM 387 C ARG A 23 0.560 11.788 1.328 1.00 0.00 C ATOM 388 O ARG A 23 0.033 10.688 1.142 1.00 0.00 O ATOM 389 CB ARG A 23 0.589 14.116 0.404 1.00 0.00 C ATOM 390 CG ARG A 23 0.548 14.963 -0.859 1.00 0.00 C ATOM 391 CD ARG A 23 1.872 15.668 -1.102 1.00 0.00 C ATOM 392 NE ARG A 23 2.009 16.874 -0.286 1.00 0.00 N ATOM 393 CZ ARG A 23 3.136 17.573 -0.179 1.00 0.00 C ATOM 394 NH1 ARG A 23 4.227 17.190 -0.832 1.00 0.00 N ATOM 395 NH2 ARG A 23 3.174 18.657 0.583 1.00 0.00 N ATOM 0 H ARG A 23 -0.612 12.502 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 23 2.059 12.593 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.390 14.145 0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.300 14.556 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.309 14.331 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.249 15.702 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.692 14.985 -0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.954 15.933 -2.156 1.00 0.00 H new ATOM 0 HE ARG A 23 1.192 17.198 0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.204 16.356 -1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.088 17.730 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.339 18.955 1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.038 19.193 0.665 1.00 0.00 H new ATOM 409 N GLU A 24 0.818 12.273 2.535 1.00 0.00 N ATOM 410 CA GLU A 24 0.486 11.529 3.747 1.00 0.00 C ATOM 411 C GLU A 24 -0.737 12.114 4.448 1.00 0.00 C ATOM 412 O GLU A 24 -0.774 13.302 4.768 1.00 0.00 O ATOM 413 CB GLU A 24 1.677 11.520 4.709 1.00 0.00 C ATOM 414 CG GLU A 24 3.021 11.347 4.018 1.00 0.00 C ATOM 415 CD GLU A 24 3.720 12.668 3.765 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.545 13.598 4.579 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.443 12.772 2.752 1.00 0.00 O ATOM 0 H GLU A 24 1.256 13.179 2.703 1.00 0.00 H new ATOM 0 HA GLU A 24 0.251 10.507 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.685 12.454 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.543 10.714 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.662 10.713 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.874 10.830 3.070 1.00 0.00 H new ATOM 424 N CYS A 25 -1.732 11.264 4.690 1.00 0.00 N ATOM 425 CA CYS A 25 -2.954 11.686 5.363 1.00 0.00 C ATOM 426 C CYS A 25 -3.575 10.541 6.152 1.00 0.00 C ATOM 427 O CYS A 25 -3.389 9.368 5.831 1.00 0.00 O ATOM 428 CB CYS A 25 -3.962 12.269 4.364 1.00 0.00 C ATOM 429 SG CYS A 25 -3.850 11.589 2.692 1.00 0.00 S ATOM 0 H CYS A 25 -1.714 10.278 4.429 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.685 12.471 6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.969 12.099 4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.819 13.348 4.313 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.428 10.425 2.657 1.00 0.00 H new ATOM 435 N GLU A 26 -4.297 10.907 7.207 1.00 0.00 N ATOM 436 CA GLU A 26 -4.943 9.943 8.092 1.00 0.00 C ATOM 437 C GLU A 26 -5.613 8.798 7.335 1.00 0.00 C ATOM 438 O GLU A 26 -6.206 8.990 6.274 1.00 0.00 O ATOM 439 CB GLU A 26 -5.977 10.652 8.969 1.00 0.00 C ATOM 440 CG GLU A 26 -5.438 11.892 9.662 1.00 0.00 C ATOM 441 CD GLU A 26 -6.021 12.086 11.048 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.254 12.253 11.155 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.245 12.072 12.026 1.00 0.00 O ATOM 0 H GLU A 26 -4.451 11.880 7.472 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.158 9.506 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.832 10.932 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.342 9.954 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.353 11.820 9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.659 12.769 9.053 1.00 0.00 H new ATOM 450 N ILE A 27 -5.520 7.609 7.918 1.00 0.00 N ATOM 451 CA ILE A 27 -6.122 6.407 7.348 1.00 0.00 C ATOM 452 C ILE A 27 -6.810 5.588 8.440 1.00 0.00 C ATOM 453 O ILE A 27 -6.562 5.796 9.627 1.00 0.00 O ATOM 454 CB ILE A 27 -5.079 5.524 6.635 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.000 5.064 7.617 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.457 6.276 5.470 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.075 4.012 7.046 1.00 0.00 C ATOM 0 H ILE A 27 -5.027 7.450 8.797 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.855 6.735 6.611 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.584 4.640 6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.410 5.926 7.926 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.479 4.668 8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.723 5.639 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.235 6.552 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.967 7.177 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.335 3.732 7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.654 3.133 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.568 4.411 6.168 1.00 0.00 H new ATOM 469 N LYS A 28 -7.677 4.662 8.038 1.00 0.00 N ATOM 470 CA LYS A 28 -8.395 3.826 8.999 1.00 0.00 C ATOM 471 C LYS A 28 -8.870 2.523 8.360 1.00 0.00 C ATOM 472 O LYS A 28 -8.964 2.419 7.139 1.00 0.00 O ATOM 473 CB LYS A 28 -9.592 4.588 9.571 1.00 0.00 C ATOM 474 CG LYS A 28 -10.523 5.144 8.505 1.00 0.00 C ATOM 475 CD LYS A 28 -11.367 6.287 9.043 1.00 0.00 C ATOM 476 CE LYS A 28 -12.027 7.068 7.919 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.957 8.109 8.437 1.00 0.00 N ATOM 0 H LYS A 28 -7.899 4.472 7.061 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.704 3.578 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.157 3.923 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.228 5.409 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.937 5.492 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.174 4.350 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.132 5.892 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.741 6.956 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.259 7.540 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.574 6.382 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.386 8.619 7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.704 7.657 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.431 8.779 9.033 1.00 0.00 H new ATOM 491 N TYR A 29 -9.165 1.531 9.198 1.00 0.00 N ATOM 492 CA TYR A 29 -9.626 0.231 8.718 1.00 0.00 C ATOM 493 C TYR A 29 -11.120 0.239 8.400 1.00 0.00 C ATOM 494 O TYR A 29 -11.941 0.628 9.230 1.00 0.00 O ATOM 495 CB TYR A 29 -9.326 -0.844 9.758 1.00 0.00 C ATOM 496 CG TYR A 29 -8.656 -2.069 9.180 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.352 -2.012 8.708 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.332 -3.280 9.102 1.00 0.00 C ATOM 499 CE1 TYR A 29 -6.738 -3.129 8.174 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.724 -4.401 8.569 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.428 -4.320 8.107 1.00 0.00 C ATOM 502 OH TYR A 29 -6.820 -5.433 7.573 1.00 0.00 O ATOM 0 H TYR A 29 -9.093 1.603 10.213 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.090 0.012 7.795 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.687 -0.421 10.533 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.257 -1.142 10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.809 -1.080 8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.348 -3.347 9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.723 -3.069 7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.262 -5.336 8.515 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.498 -6.016 7.173 1.00 0.00 H new ATOM 512 N THR A 30 -11.460 -0.205 7.190 1.00 0.00 N ATOM 513 CA THR A 30 -12.853 -0.265 6.747 1.00 0.00 C ATOM 514 C THR A 30 -13.011 -1.264 5.600 1.00 0.00 C ATOM 515 O THR A 30 -13.881 -1.104 4.743 1.00 0.00 O ATOM 516 CB THR A 30 -13.345 1.115 6.294 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.919 1.390 4.972 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.871 2.253 7.174 1.00 0.00 C ATOM 0 H THR A 30 -10.786 -0.530 6.496 1.00 0.00 H new ATOM 0 HA THR A 30 -13.455 -0.593 7.594 1.00 0.00 H new ATOM 0 HB THR A 30 -14.432 1.062 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.414 0.824 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.260 3.196 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.230 2.100 8.192 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.781 2.283 7.175 1.00 0.00 H new ATOM 526 N GLY A 31 -12.161 -2.288 5.584 1.00 0.00 N ATOM 527 CA GLY A 31 -12.223 -3.289 4.532 1.00 0.00 C ATOM 528 C GLY A 31 -13.208 -4.403 4.833 1.00 0.00 C ATOM 529 O GLY A 31 -14.251 -4.508 4.188 1.00 0.00 O ATOM 0 H GLY A 31 -11.431 -2.442 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.503 -2.807 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.231 -3.717 4.386 1.00 0.00 H new ATOM 533 N PHE A 32 -12.880 -5.233 5.819 1.00 0.00 N ATOM 534 CA PHE A 32 -13.746 -6.343 6.209 1.00 0.00 C ATOM 535 C PHE A 32 -14.051 -6.278 7.700 1.00 0.00 C ATOM 536 O PHE A 32 -14.588 -7.222 8.281 1.00 0.00 O ATOM 537 CB PHE A 32 -13.091 -7.685 5.873 1.00 0.00 C ATOM 538 CG PHE A 32 -11.591 -7.672 5.969 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.954 -7.937 7.171 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.821 -7.394 4.853 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.571 -7.927 7.255 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.442 -7.382 4.931 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.817 -7.649 6.133 1.00 0.00 C ATOM 0 H PHE A 32 -12.021 -5.158 6.363 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.678 -6.259 5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.482 -8.448 6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.378 -7.975 4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.541 -8.153 8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.304 -7.184 3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.084 -8.136 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.853 -7.164 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.739 -7.640 6.195 1.00 0.00 H new ATOM 553 N ARG A 33 -13.687 -5.161 8.312 1.00 0.00 N ATOM 554 CA ARG A 33 -13.892 -4.951 9.733 1.00 0.00 C ATOM 555 C ARG A 33 -15.255 -4.349 10.031 1.00 0.00 C ATOM 556 O ARG A 33 -15.674 -4.277 11.186 1.00 0.00 O ATOM 557 CB ARG A 33 -12.797 -4.043 10.267 1.00 0.00 C ATOM 558 CG ARG A 33 -12.857 -2.621 9.720 1.00 0.00 C ATOM 559 CD ARG A 33 -13.925 -1.788 10.417 1.00 0.00 C ATOM 560 NE ARG A 33 -13.376 -0.564 10.993 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.119 0.398 11.535 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.441 0.281 11.576 1.00 0.00 N ATOM 563 NH2 ARG A 33 -13.540 1.480 12.038 1.00 0.00 N ATOM 0 H ARG A 33 -13.242 -4.377 7.836 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.852 -5.922 10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.865 -4.007 11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.827 -4.476 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.885 -2.143 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.062 -2.652 8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.708 -1.533 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.391 -2.381 11.204 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.364 -0.439 10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.892 -0.549 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.006 1.021 11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.525 1.575 12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.110 2.217 12.453 1.00 0.00 H new ATOM 577 N ASP A 34 -15.939 -3.911 8.988 1.00 0.00 N ATOM 578 CA ASP A 34 -17.257 -3.304 9.138 1.00 0.00 C ATOM 579 C ASP A 34 -18.192 -4.184 9.972 1.00 0.00 C ATOM 580 O ASP A 34 -19.258 -3.737 10.395 1.00 0.00 O ATOM 581 CB ASP A 34 -17.877 -3.043 7.763 1.00 0.00 C ATOM 582 CG ASP A 34 -18.310 -1.601 7.586 1.00 0.00 C ATOM 583 OD1 ASP A 34 -18.597 -0.938 8.607 1.00 0.00 O ATOM 584 OD2 ASP A 34 -18.361 -1.133 6.430 1.00 0.00 O ATOM 0 H ASP A 34 -15.606 -3.963 8.025 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.128 -2.358 9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.155 -3.300 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.738 -3.697 7.626 1.00 0.00 H new ATOM 589 N ARG A 35 -17.791 -5.433 10.216 1.00 0.00 N ATOM 590 CA ARG A 35 -18.604 -6.346 11.005 1.00 0.00 C ATOM 591 C ARG A 35 -17.826 -6.874 12.219 1.00 0.00 C ATOM 592 O ARG A 35 -18.204 -6.601 13.358 1.00 0.00 O ATOM 593 CB ARG A 35 -19.136 -7.503 10.141 1.00 0.00 C ATOM 594 CG ARG A 35 -19.260 -7.174 8.654 1.00 0.00 C ATOM 595 CD ARG A 35 -17.905 -6.948 7.985 1.00 0.00 C ATOM 596 NE ARG A 35 -17.783 -7.687 6.729 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.748 -9.016 6.649 1.00 0.00 C ATOM 598 NH1 ARG A 35 -17.824 -9.757 7.747 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.635 -9.605 5.467 1.00 0.00 N ATOM 0 H ARG A 35 -16.913 -5.829 9.879 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.462 -5.788 11.378 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.474 -8.361 10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.114 -7.802 10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.779 -7.988 8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.873 -6.281 8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.768 -5.884 7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.110 -7.255 8.665 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.721 -7.153 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.910 -9.309 8.659 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.797 -10.774 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.575 -9.041 4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.608 -10.623 5.405 1.00 0.00 H new ATOM 613 N PRO A 36 -16.735 -7.648 12.012 1.00 0.00 N ATOM 614 CA PRO A 36 -15.939 -8.206 13.093 1.00 0.00 C ATOM 615 C PRO A 36 -14.611 -7.475 13.294 1.00 0.00 C ATOM 616 O PRO A 36 -13.546 -8.047 13.062 1.00 0.00 O ATOM 617 CB PRO A 36 -15.680 -9.603 12.550 1.00 0.00 C ATOM 618 CG PRO A 36 -15.487 -9.389 11.076 1.00 0.00 C ATOM 619 CD PRO A 36 -16.175 -8.081 10.725 1.00 0.00 C ATOM 0 HA PRO A 36 -16.431 -8.149 14.064 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.798 -10.052 13.007 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.518 -10.271 12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.426 -9.346 10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.914 -10.215 10.507 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.473 -7.350 10.324 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.952 -8.222 9.974 1.00 0.00 H new ATOM 627 N HIS A 37 -14.664 -6.216 13.723 1.00 0.00 N ATOM 628 CA HIS A 37 -13.437 -5.452 13.935 1.00 0.00 C ATOM 629 C HIS A 37 -12.515 -6.175 14.921 1.00 0.00 C ATOM 630 O HIS A 37 -11.390 -6.539 14.584 1.00 0.00 O ATOM 631 CB HIS A 37 -13.745 -4.034 14.428 1.00 0.00 C ATOM 632 CG HIS A 37 -12.582 -3.096 14.284 1.00 0.00 C ATOM 633 ND1 HIS A 37 -11.729 -2.798 15.324 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.108 -2.410 13.209 1.00 0.00 C ATOM 635 CE1 HIS A 37 -10.785 -1.980 14.897 1.00 0.00 C ATOM 636 NE2 HIS A 37 -10.994 -1.727 13.621 1.00 0.00 N ATOM 0 H HIS A 37 -15.526 -5.711 13.927 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.924 -5.370 12.977 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.594 -3.638 13.871 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.043 -4.076 15.476 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -11.814 -3.154 16.276 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.531 -2.405 12.215 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.977 -1.584 15.494 1.00 0.00 H new ATOM 645 N GLU A 38 -12.997 -6.396 16.140 1.00 0.00 N ATOM 646 CA GLU A 38 -12.202 -7.087 17.157 1.00 0.00 C ATOM 647 C GLU A 38 -11.564 -8.357 16.595 1.00 0.00 C ATOM 648 O GLU A 38 -10.504 -8.781 17.052 1.00 0.00 O ATOM 649 CB GLU A 38 -13.067 -7.425 18.371 1.00 0.00 C ATOM 650 CG GLU A 38 -13.459 -6.210 19.197 1.00 0.00 C ATOM 651 CD GLU A 38 -14.960 -6.044 19.318 1.00 0.00 C ATOM 652 OE1 GLU A 38 -15.675 -6.379 18.350 1.00 0.00 O ATOM 653 OE2 GLU A 38 -15.422 -5.578 20.381 1.00 0.00 O ATOM 0 H GLU A 38 -13.926 -6.110 16.449 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.402 -6.415 17.467 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.971 -7.931 18.033 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.528 -8.127 19.007 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.026 -6.298 20.193 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.034 -5.315 18.743 1.00 0.00 H new ATOM 660 N GLU A 39 -12.193 -8.938 15.579 1.00 0.00 N ATOM 661 CA GLU A 39 -11.659 -10.130 14.934 1.00 0.00 C ATOM 662 C GLU A 39 -10.664 -9.690 13.887 1.00 0.00 C ATOM 663 O GLU A 39 -9.601 -10.285 13.714 1.00 0.00 O ATOM 664 CB GLU A 39 -12.771 -10.956 14.291 1.00 0.00 C ATOM 665 CG GLU A 39 -12.597 -12.456 14.467 1.00 0.00 C ATOM 666 CD GLU A 39 -13.738 -13.089 15.241 1.00 0.00 C ATOM 667 OE1 GLU A 39 -14.769 -13.415 14.616 1.00 0.00 O ATOM 668 OE2 GLU A 39 -13.599 -13.260 16.470 1.00 0.00 O ATOM 0 H GLU A 39 -13.072 -8.603 15.185 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.175 -10.761 15.679 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.728 -10.657 14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.813 -10.726 13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.523 -12.927 13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.659 -12.651 14.986 1.00 0.00 H new ATOM 675 N ARG A 40 -11.025 -8.605 13.212 1.00 0.00 N ATOM 676 CA ARG A 40 -10.186 -8.013 12.195 1.00 0.00 C ATOM 677 C ARG A 40 -8.773 -7.831 12.739 1.00 0.00 C ATOM 678 O ARG A 40 -7.802 -7.844 11.988 1.00 0.00 O ATOM 679 CB ARG A 40 -10.802 -6.681 11.749 1.00 0.00 C ATOM 680 CG ARG A 40 -9.852 -5.490 11.769 1.00 0.00 C ATOM 681 CD ARG A 40 -9.920 -4.737 13.091 1.00 0.00 C ATOM 682 NE ARG A 40 -8.721 -4.923 13.911 1.00 0.00 N ATOM 683 CZ ARG A 40 -8.682 -4.735 15.228 1.00 0.00 C ATOM 684 NH1 ARG A 40 -9.802 -4.572 15.916 1.00 0.00 N ATOM 685 NH2 ARG A 40 -7.521 -4.759 15.866 1.00 0.00 N ATOM 0 H ARG A 40 -11.908 -8.116 13.359 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.123 -8.667 11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.191 -6.799 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.653 -6.458 12.393 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.832 -5.835 11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.100 -4.813 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.058 -3.674 12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.793 -5.072 13.651 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.862 -5.215 13.444 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.702 -4.590 15.437 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.764 -4.428 16.925 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.658 -4.921 15.348 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.491 -4.615 16.875 1.00 0.00 H new ATOM 699 N GLN A 41 -8.667 -7.679 14.058 1.00 0.00 N ATOM 700 CA GLN A 41 -7.363 -7.521 14.693 1.00 0.00 C ATOM 701 C GLN A 41 -6.460 -8.674 14.273 1.00 0.00 C ATOM 702 O GLN A 41 -5.285 -8.482 13.958 1.00 0.00 O ATOM 703 CB GLN A 41 -7.496 -7.442 16.227 1.00 0.00 C ATOM 704 CG GLN A 41 -7.618 -8.783 16.941 1.00 0.00 C ATOM 705 CD GLN A 41 -6.339 -9.204 17.647 1.00 0.00 C ATOM 706 OE1 GLN A 41 -6.383 -9.885 18.672 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.190 -8.802 17.111 1.00 0.00 N ATOM 0 H GLN A 41 -9.459 -7.662 14.700 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.916 -6.582 14.365 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.628 -6.916 16.624 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.372 -6.840 16.469 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.426 -8.727 17.670 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.895 -9.549 16.217 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.193 -8.239 16.261 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.305 -9.057 17.550 1.00 0.00 H new ATOM 716 N THR A 42 -7.040 -9.867 14.237 1.00 0.00 N ATOM 717 CA THR A 42 -6.321 -11.055 13.819 1.00 0.00 C ATOM 718 C THR A 42 -6.380 -11.182 12.308 1.00 0.00 C ATOM 719 O THR A 42 -5.462 -11.713 11.683 1.00 0.00 O ATOM 720 CB THR A 42 -6.910 -12.304 14.478 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.914 -12.172 15.889 1.00 0.00 O ATOM 722 CG2 THR A 42 -6.158 -13.572 14.136 1.00 0.00 C ATOM 0 H THR A 42 -8.013 -10.034 14.495 1.00 0.00 H new ATOM 0 HA THR A 42 -5.281 -10.964 14.132 1.00 0.00 H new ATOM 0 HB THR A 42 -7.924 -12.387 14.087 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.296 -12.980 16.292 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.628 -14.419 14.636 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.180 -13.729 13.058 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.124 -13.483 14.468 1.00 0.00 H new ATOM 730 N ARG A 43 -7.465 -10.680 11.715 1.00 0.00 N ATOM 731 CA ARG A 43 -7.615 -10.741 10.265 1.00 0.00 C ATOM 732 C ARG A 43 -6.577 -9.855 9.589 1.00 0.00 C ATOM 733 O ARG A 43 -6.034 -10.207 8.542 1.00 0.00 O ATOM 734 CB ARG A 43 -9.020 -10.316 9.838 1.00 0.00 C ATOM 735 CG ARG A 43 -10.132 -11.014 10.605 1.00 0.00 C ATOM 736 CD ARG A 43 -10.367 -12.425 10.090 1.00 0.00 C ATOM 737 NE ARG A 43 -11.363 -12.458 9.019 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.066 -12.414 7.722 1.00 0.00 C ATOM 739 NH1 ARG A 43 -9.802 -12.339 7.320 1.00 0.00 N ATOM 740 NH2 ARG A 43 -12.038 -12.447 6.820 1.00 0.00 N ATOM 0 H ARG A 43 -8.239 -10.235 12.208 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.461 -11.774 9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.120 -9.239 9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.143 -10.518 8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.877 -11.050 11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.052 -10.437 10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.427 -12.839 9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.697 -13.061 10.912 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.347 -12.519 9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.049 -12.315 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.585 -12.306 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.011 -12.506 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.813 -12.413 5.826 1.00 0.00 H new ATOM 754 N PHE A 44 -6.293 -8.711 10.203 1.00 0.00 N ATOM 755 CA PHE A 44 -5.318 -7.785 9.675 1.00 0.00 C ATOM 756 C PHE A 44 -3.911 -8.284 10.001 1.00 0.00 C ATOM 757 O PHE A 44 -3.041 -8.336 9.132 1.00 0.00 O ATOM 758 CB PHE A 44 -5.560 -6.397 10.266 1.00 0.00 C ATOM 759 CG PHE A 44 -4.327 -5.566 10.339 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.916 -4.815 9.255 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.576 -5.556 11.490 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.765 -4.060 9.320 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.422 -4.801 11.571 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.017 -4.050 10.483 1.00 0.00 C ATOM 0 H PHE A 44 -6.732 -8.408 11.073 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.416 -7.719 8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.305 -5.878 9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.978 -6.504 11.267 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.502 -4.820 8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.891 -6.144 12.339 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.449 -3.479 8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.839 -4.797 12.480 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.117 -3.456 10.541 1.00 0.00 H new ATOM 774 N GLN A 45 -3.705 -8.670 11.261 1.00 0.00 N ATOM 775 CA GLN A 45 -2.413 -9.188 11.698 1.00 0.00 C ATOM 776 C GLN A 45 -2.080 -10.472 10.946 1.00 0.00 C ATOM 777 O GLN A 45 -0.912 -10.802 10.741 1.00 0.00 O ATOM 778 CB GLN A 45 -2.424 -9.450 13.206 1.00 0.00 C ATOM 779 CG GLN A 45 -1.892 -8.288 14.029 1.00 0.00 C ATOM 780 CD GLN A 45 -0.482 -8.525 14.534 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.304 -9.232 13.903 1.00 0.00 O ATOM 782 NE2 GLN A 45 -0.155 -7.935 15.678 1.00 0.00 N ATOM 0 H GLN A 45 -4.415 -8.633 11.993 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.649 -8.442 11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.444 -9.670 13.521 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.827 -10.337 13.417 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.909 -7.382 13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.554 -8.117 14.878 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.838 -7.357 16.168 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.780 -8.059 16.067 1.00 0.00 H new ATOM 791 N ASN A 46 -3.123 -11.179 10.516 1.00 0.00 N ATOM 792 CA ASN A 46 -2.958 -12.414 9.760 1.00 0.00 C ATOM 793 C ASN A 46 -2.796 -12.085 8.283 1.00 0.00 C ATOM 794 O ASN A 46 -2.167 -12.829 7.530 1.00 0.00 O ATOM 795 CB ASN A 46 -4.156 -13.342 9.965 1.00 0.00 C ATOM 796 CG ASN A 46 -3.969 -14.686 9.289 1.00 0.00 C ATOM 797 OD1 ASN A 46 -4.143 -14.813 8.077 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.612 -15.698 10.071 1.00 0.00 N ATOM 0 H ASN A 46 -4.094 -10.914 10.680 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.067 -12.929 10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.315 -13.494 11.032 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.054 -12.863 9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.471 -16.626 9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.479 -15.547 11.071 1.00 0.00 H new ATOM 805 N ALA A 47 -3.346 -10.942 7.888 1.00 0.00 N ATOM 806 CA ALA A 47 -3.242 -10.478 6.519 1.00 0.00 C ATOM 807 C ALA A 47 -1.822 -10.012 6.268 1.00 0.00 C ATOM 808 O ALA A 47 -1.286 -10.157 5.169 1.00 0.00 O ATOM 809 CB ALA A 47 -4.236 -9.356 6.257 1.00 0.00 C ATOM 0 H ALA A 47 -3.870 -10.320 8.504 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.481 -11.293 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.143 -9.021 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.249 -9.719 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.029 -8.523 6.929 1.00 0.00 H new ATOM 815 N CYS A 48 -1.202 -9.488 7.321 1.00 0.00 N ATOM 816 CA CYS A 48 0.179 -9.039 7.241 1.00 0.00 C ATOM 817 C CYS A 48 1.083 -10.244 7.036 1.00 0.00 C ATOM 818 O CYS A 48 2.210 -10.117 6.557 1.00 0.00 O ATOM 819 CB CYS A 48 0.578 -8.286 8.511 1.00 0.00 C ATOM 820 SG CYS A 48 0.347 -6.495 8.409 1.00 0.00 S ATOM 0 H CYS A 48 -1.635 -9.365 8.236 1.00 0.00 H new ATOM 0 HA CYS A 48 0.285 -8.355 6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.006 -8.670 9.347 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.625 -8.495 8.731 1.00 0.00 H new ATOM 0 HG CYS A 48 0.505 -5.969 9.587 1.00 0.00 H new ATOM 826 N ARG A 49 0.566 -11.422 7.387 1.00 0.00 N ATOM 827 CA ARG A 49 1.317 -12.658 7.223 1.00 0.00 C ATOM 828 C ARG A 49 1.318 -13.070 5.751 1.00 0.00 C ATOM 829 O ARG A 49 2.232 -13.749 5.284 1.00 0.00 O ATOM 830 CB ARG A 49 0.721 -13.762 8.109 1.00 0.00 C ATOM 831 CG ARG A 49 0.676 -15.139 7.461 1.00 0.00 C ATOM 832 CD ARG A 49 0.313 -16.217 8.469 1.00 0.00 C ATOM 833 NE ARG A 49 1.210 -16.213 9.622 1.00 0.00 N ATOM 834 CZ ARG A 49 2.432 -16.743 9.613 1.00 0.00 C ATOM 835 NH1 ARG A 49 2.905 -17.318 8.514 1.00 0.00 N ATOM 836 NH2 ARG A 49 3.183 -16.697 10.705 1.00 0.00 N ATOM 0 H ARG A 49 -0.366 -11.542 7.784 1.00 0.00 H new ATOM 0 HA ARG A 49 2.349 -12.499 7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.303 -13.826 9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.292 -13.475 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.053 -15.137 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.646 -15.366 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.712 -16.067 8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.349 -17.193 7.985 1.00 0.00 H new ATOM 0 HE ARG A 49 0.881 -15.779 10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.332 -17.355 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.841 -17.722 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.825 -16.256 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.119 -17.103 10.698 1.00 0.00 H new ATOM 850 N ASP A 50 0.289 -12.638 5.025 1.00 0.00 N ATOM 851 CA ASP A 50 0.168 -12.942 3.604 1.00 0.00 C ATOM 852 C ASP A 50 0.552 -11.729 2.756 1.00 0.00 C ATOM 853 O ASP A 50 0.322 -11.709 1.548 1.00 0.00 O ATOM 854 CB ASP A 50 -1.260 -13.381 3.273 1.00 0.00 C ATOM 855 CG ASP A 50 -1.607 -14.725 3.882 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.812 -15.675 3.719 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.675 -14.829 4.522 1.00 0.00 O ATOM 0 H ASP A 50 -0.474 -12.075 5.400 1.00 0.00 H new ATOM 0 HA ASP A 50 0.852 -13.758 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.961 -12.629 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.379 -13.434 2.191 1.00 0.00 H new ATOM 862 N GLY A 51 1.146 -10.723 3.397 1.00 0.00 N ATOM 863 CA GLY A 51 1.561 -9.526 2.688 1.00 0.00 C ATOM 864 C GLY A 51 0.419 -8.838 1.968 1.00 0.00 C ATOM 865 O GLY A 51 0.621 -8.229 0.921 1.00 0.00 O ATOM 0 H GLY A 51 1.347 -10.718 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.010 -8.829 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.334 -9.788 1.965 1.00 0.00 H new ATOM 869 N ARG A 52 -0.782 -8.933 2.526 1.00 0.00 N ATOM 870 CA ARG A 52 -1.951 -8.310 1.925 1.00 0.00 C ATOM 871 C ARG A 52 -2.981 -7.906 2.965 1.00 0.00 C ATOM 872 O ARG A 52 -3.408 -8.716 3.783 1.00 0.00 O ATOM 873 CB ARG A 52 -2.591 -9.256 0.922 1.00 0.00 C ATOM 874 CG ARG A 52 -1.924 -9.201 -0.429 1.00 0.00 C ATOM 875 CD ARG A 52 -1.403 -10.563 -0.855 1.00 0.00 C ATOM 876 NE ARG A 52 -2.380 -11.301 -1.653 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.182 -12.249 -1.169 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.136 -12.585 0.115 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.038 -12.864 -1.974 1.00 0.00 N ATOM 0 H ARG A 52 -0.970 -9.436 3.393 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.610 -7.406 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.543 -10.275 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.646 -9.006 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.634 -8.835 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.099 -8.489 -0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.487 -10.436 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.145 -11.145 0.030 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.453 -11.076 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.482 -12.116 0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.755 -13.312 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.081 -12.611 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.653 -13.590 -1.606 1.00 0.00 H new ATOM 893 N SER A 53 -3.394 -6.649 2.897 1.00 0.00 N ATOM 894 CA SER A 53 -4.403 -6.119 3.809 1.00 0.00 C ATOM 895 C SER A 53 -5.300 -5.112 3.097 1.00 0.00 C ATOM 896 O SER A 53 -4.985 -4.641 2.001 1.00 0.00 O ATOM 897 CB SER A 53 -3.762 -5.482 5.047 1.00 0.00 C ATOM 898 OG SER A 53 -3.651 -4.074 4.909 1.00 0.00 O ATOM 0 H SER A 53 -3.046 -5.973 2.218 1.00 0.00 H new ATOM 0 HA SER A 53 -5.015 -6.957 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.359 -5.716 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.773 -5.912 5.208 1.00 0.00 H new ATOM 0 HG SER A 53 -2.799 -3.774 5.290 1.00 0.00 H new ATOM 904 N GLU A 54 -6.411 -4.778 3.736 1.00 0.00 N ATOM 905 CA GLU A 54 -7.358 -3.817 3.188 1.00 0.00 C ATOM 906 C GLU A 54 -7.456 -2.609 4.106 1.00 0.00 C ATOM 907 O GLU A 54 -7.947 -2.712 5.230 1.00 0.00 O ATOM 908 CB GLU A 54 -8.735 -4.461 3.016 1.00 0.00 C ATOM 909 CG GLU A 54 -9.510 -3.931 1.820 1.00 0.00 C ATOM 910 CD GLU A 54 -10.634 -4.858 1.398 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.358 -6.050 1.147 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.790 -4.390 1.317 1.00 0.00 O ATOM 0 H GLU A 54 -6.681 -5.162 4.642 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.004 -3.494 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.612 -5.539 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.320 -4.294 3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.923 -2.952 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.827 -3.789 0.983 1.00 0.00 H new ATOM 919 N ILE A 55 -6.970 -1.466 3.636 1.00 0.00 N ATOM 920 CA ILE A 55 -6.993 -0.252 4.443 1.00 0.00 C ATOM 921 C ILE A 55 -7.824 0.844 3.791 1.00 0.00 C ATOM 922 O ILE A 55 -7.819 1.007 2.571 1.00 0.00 O ATOM 923 CB ILE A 55 -5.572 0.295 4.696 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.553 -0.846 4.756 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.542 1.107 5.981 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.765 -1.786 5.923 1.00 0.00 C ATOM 0 H ILE A 55 -6.559 -1.354 2.709 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.447 -0.533 5.393 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.301 0.947 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.602 -1.415 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.550 -0.424 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.534 1.487 6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.236 1.943 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.834 0.474 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.007 -2.569 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.686 -1.230 6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.755 -2.237 5.852 1.00 0.00 H new ATOM 938 N ALA A 56 -8.522 1.604 4.625 1.00 0.00 N ATOM 939 CA ALA A 56 -9.346 2.705 4.154 1.00 0.00 C ATOM 940 C ALA A 56 -8.551 4.002 4.198 1.00 0.00 C ATOM 941 O ALA A 56 -7.608 4.131 4.978 1.00 0.00 O ATOM 942 CB ALA A 56 -10.610 2.822 4.991 1.00 0.00 C ATOM 0 H ALA A 56 -8.532 1.475 5.637 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.640 2.509 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.214 3.652 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.182 1.897 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.342 3.002 6.032 1.00 0.00 H new ATOM 948 N PHE A 57 -8.918 4.956 3.354 1.00 0.00 N ATOM 949 CA PHE A 57 -8.210 6.226 3.307 1.00 0.00 C ATOM 950 C PHE A 57 -9.119 7.354 3.794 1.00 0.00 C ATOM 951 O PHE A 57 -10.211 7.551 3.263 1.00 0.00 O ATOM 952 CB PHE A 57 -7.748 6.493 1.872 1.00 0.00 C ATOM 953 CG PHE A 57 -6.458 7.258 1.764 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.924 7.925 2.855 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.766 7.287 0.564 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.730 8.610 2.749 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.571 7.967 0.452 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.051 8.629 1.546 1.00 0.00 C ATOM 0 H PHE A 57 -9.695 4.876 2.698 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.340 6.182 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.634 5.539 1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.528 7.046 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.448 7.909 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.168 6.770 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.327 9.130 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.043 7.981 -0.490 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.115 9.161 1.462 1.00 0.00 H new ATOM 968 N VAL A 58 -8.671 8.085 4.812 1.00 0.00 N ATOM 969 CA VAL A 58 -9.462 9.181 5.367 1.00 0.00 C ATOM 970 C VAL A 58 -9.406 10.419 4.479 1.00 0.00 C ATOM 971 O VAL A 58 -10.302 11.262 4.520 1.00 0.00 O ATOM 972 CB VAL A 58 -8.992 9.563 6.784 1.00 0.00 C ATOM 973 CG1 VAL A 58 -9.979 10.525 7.430 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.807 8.322 7.646 1.00 0.00 C ATOM 0 H VAL A 58 -7.770 7.940 5.267 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.489 8.821 5.417 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.027 10.063 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.632 10.785 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.054 11.429 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.958 10.051 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.475 8.617 8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.754 7.788 7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.059 7.672 7.192 1.00 0.00 H new ATOM 984 N ALA A 59 -8.350 10.525 3.677 1.00 0.00 N ATOM 985 CA ALA A 59 -8.182 11.666 2.781 1.00 0.00 C ATOM 986 C ALA A 59 -9.462 11.954 2.001 1.00 0.00 C ATOM 987 O ALA A 59 -9.935 13.090 1.962 1.00 0.00 O ATOM 988 CB ALA A 59 -7.023 11.418 1.827 1.00 0.00 C ATOM 0 H ALA A 59 -7.599 9.836 3.629 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.959 12.543 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.908 12.275 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.106 11.275 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.224 10.526 1.234 1.00 0.00 H new ATOM 994 N THR A 60 -10.017 10.919 1.378 1.00 0.00 N ATOM 995 CA THR A 60 -11.241 11.064 0.598 1.00 0.00 C ATOM 996 C THR A 60 -12.177 9.874 0.804 1.00 0.00 C ATOM 997 O THR A 60 -13.105 9.665 0.022 1.00 0.00 O ATOM 998 CB THR A 60 -10.907 11.211 -0.888 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.118 10.123 -1.333 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.157 12.485 -1.209 1.00 0.00 C ATOM 0 H THR A 60 -9.639 9.972 1.398 1.00 0.00 H new ATOM 0 HA THR A 60 -11.752 11.962 0.944 1.00 0.00 H new ATOM 0 HB THR A 60 -11.869 11.237 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.916 10.233 -2.286 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.952 12.527 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.762 13.345 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.217 12.502 -0.658 1.00 0.00 H new ATOM 1008 N GLY A 61 -11.932 9.095 1.854 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.767 7.939 2.127 1.00 0.00 C ATOM 1010 C GLY A 61 -12.753 6.939 0.989 1.00 0.00 C ATOM 1011 O GLY A 61 -13.793 6.639 0.404 1.00 0.00 O ATOM 0 H GLY A 61 -11.173 9.243 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.423 7.452 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.791 8.267 2.307 1.00 0.00 H new ATOM 1015 N THR A 62 -11.568 6.424 0.671 1.00 0.00 N ATOM 1016 CA THR A 62 -11.421 5.457 -0.409 1.00 0.00 C ATOM 1017 C THR A 62 -10.861 4.133 0.106 1.00 0.00 C ATOM 1018 O THR A 62 -9.797 4.095 0.724 1.00 0.00 O ATOM 1019 CB THR A 62 -10.505 6.019 -1.499 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.252 5.043 -2.495 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.168 6.497 -0.973 1.00 0.00 C ATOM 0 H THR A 62 -10.697 6.661 1.146 1.00 0.00 H new ATOM 0 HA THR A 62 -12.410 5.270 -0.828 1.00 0.00 H new ATOM 0 HB THR A 62 -11.040 6.874 -1.911 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.666 5.422 -3.183 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.569 6.883 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.327 7.288 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.644 5.665 -0.502 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.579 3.048 -0.164 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.148 1.719 0.259 1.00 0.00 C ATOM 1031 C ASN A 63 -10.090 1.186 -0.700 1.00 0.00 C ATOM 1032 O ASN A 63 -10.186 1.391 -1.910 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.338 0.759 0.315 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.155 -0.330 1.354 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.849 -0.053 2.514 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.343 -1.579 0.943 1.00 0.00 N ATOM 0 H ASN A 63 -12.462 3.062 -0.674 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.719 1.795 1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.245 1.321 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.479 0.302 -0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.235 -2.353 1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.596 -1.764 -0.028 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.073 0.520 -0.162 1.00 0.00 N ATOM 1044 CA LEU A 64 -8.002 -0.007 -0.999 1.00 0.00 C ATOM 1045 C LEU A 64 -7.489 -1.357 -0.511 1.00 0.00 C ATOM 1046 O LEU A 64 -7.396 -1.612 0.691 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.838 0.982 -1.041 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.210 2.414 -1.435 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -7.140 3.336 -0.227 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.299 2.916 -2.547 1.00 0.00 C ATOM 0 H LEU A 64 -8.968 0.334 0.836 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.420 -0.149 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.366 1.004 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.093 0.611 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.235 2.413 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.408 4.349 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.835 2.988 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.127 3.332 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.578 3.935 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.264 2.901 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.401 2.271 -3.420 1.00 0.00 H new ATOM 1062 N SER A 65 -7.117 -2.197 -1.469 1.00 0.00 N ATOM 1063 CA SER A 65 -6.558 -3.513 -1.184 1.00 0.00 C ATOM 1064 C SER A 65 -5.111 -3.526 -1.656 1.00 0.00 C ATOM 1065 O SER A 65 -4.844 -3.552 -2.858 1.00 0.00 O ATOM 1066 CB SER A 65 -7.361 -4.609 -1.888 1.00 0.00 C ATOM 1067 OG SER A 65 -8.746 -4.315 -1.877 1.00 0.00 O ATOM 0 H SER A 65 -7.194 -1.986 -2.464 1.00 0.00 H new ATOM 0 HA SER A 65 -6.605 -3.710 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.016 -4.712 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.185 -5.566 -1.396 1.00 0.00 H new ATOM 0 HG SER A 65 -9.236 -5.030 -2.334 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.182 -3.446 -0.714 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.765 -3.386 -1.057 1.00 0.00 C ATOM 1075 C LEU A 66 -2.057 -4.726 -0.907 1.00 0.00 C ATOM 1076 O LEU A 66 -2.416 -5.551 -0.068 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.060 -2.341 -0.188 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.932 -1.160 0.262 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -2.760 -0.903 1.752 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.596 0.091 -0.539 1.00 0.00 C ATOM 0 H LEU A 66 -4.380 -3.421 0.286 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.712 -3.107 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.665 -2.837 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.206 -1.950 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.975 -1.416 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.386 -0.062 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.054 -1.791 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.716 -0.671 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.225 0.917 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.548 0.349 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.775 -0.096 -1.598 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.021 -4.905 -1.721 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.205 -6.110 -1.693 1.00 0.00 C ATOM 1094 C GLN A 67 1.231 -5.729 -1.356 1.00 0.00 C ATOM 1095 O GLN A 67 1.949 -5.175 -2.187 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.261 -6.830 -3.041 1.00 0.00 C ATOM 1097 CG GLN A 67 -1.665 -7.239 -3.456 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.396 -6.137 -4.197 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.790 -5.357 -4.932 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.709 -6.067 -4.008 1.00 0.00 N ATOM 0 H GLN A 67 -0.726 -4.220 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.591 -6.789 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.161 -6.180 -3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.368 -7.719 -2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.610 -8.124 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.236 -7.517 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.172 -6.734 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.255 -5.347 -4.481 1.00 0.00 H new ATOM 1109 N PHE A 68 1.633 -6.002 -0.122 1.00 0.00 N ATOM 1110 CA PHE A 68 2.973 -5.659 0.346 1.00 0.00 C ATOM 1111 C PHE A 68 3.855 -6.875 0.592 1.00 0.00 C ATOM 1112 O PHE A 68 3.602 -7.695 1.474 1.00 0.00 O ATOM 1113 CB PHE A 68 2.893 -4.780 1.594 1.00 0.00 C ATOM 1114 CG PHE A 68 1.556 -4.814 2.272 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.094 -5.951 2.922 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.749 -3.690 2.237 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.147 -5.954 3.526 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.488 -3.690 2.834 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.937 -4.821 3.481 1.00 0.00 C ATOM 0 H PHE A 68 1.049 -6.462 0.577 1.00 0.00 H new ATOM 0 HA PHE A 68 3.450 -5.098 -0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.658 -5.100 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.124 -3.751 1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.709 -6.838 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.097 -2.800 1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.500 -6.840 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.107 -2.806 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.908 -4.822 3.954 1.00 0.00 H new ATOM 1129 N PHE A 69 4.911 -6.946 -0.205 1.00 0.00 N ATOM 1130 CA PHE A 69 5.905 -8.008 -0.132 1.00 0.00 C ATOM 1131 C PHE A 69 7.201 -7.538 -0.786 1.00 0.00 C ATOM 1132 O PHE A 69 7.179 -6.657 -1.646 1.00 0.00 O ATOM 1133 CB PHE A 69 5.403 -9.279 -0.821 1.00 0.00 C ATOM 1134 CG PHE A 69 4.673 -10.223 0.094 1.00 0.00 C ATOM 1135 CD1 PHE A 69 5.130 -10.463 1.382 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.532 -10.879 -0.340 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.462 -11.337 2.216 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.862 -11.756 0.490 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.328 -11.985 1.770 1.00 0.00 C ATOM 0 H PHE A 69 5.105 -6.257 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 69 6.087 -8.241 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.741 -8.999 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.252 -9.801 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.018 -9.961 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.162 -10.702 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.827 -11.514 3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.975 -12.262 0.139 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.806 -12.670 2.421 1.00 0.00 H new ATOM 1149 N PRO A 70 8.348 -8.116 -0.403 1.00 0.00 N ATOM 1150 CA PRO A 70 9.639 -7.735 -0.980 1.00 0.00 C ATOM 1151 C PRO A 70 9.641 -7.863 -2.499 1.00 0.00 C ATOM 1152 O PRO A 70 9.639 -8.969 -3.040 1.00 0.00 O ATOM 1153 CB PRO A 70 10.633 -8.721 -0.351 1.00 0.00 C ATOM 1154 CG PRO A 70 9.796 -9.811 0.236 1.00 0.00 C ATOM 1155 CD PRO A 70 8.485 -9.178 0.601 1.00 0.00 C ATOM 0 HA PRO A 70 9.885 -6.693 -0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.322 -9.114 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.237 -8.234 0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.652 -10.620 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.278 -10.243 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.663 -9.892 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.497 -8.778 1.615 1.00 0.00 H new ATOM 1163 N ALA A 71 9.638 -6.721 -3.182 1.00 0.00 N ATOM 1164 CA ALA A 71 9.634 -6.696 -4.641 1.00 0.00 C ATOM 1165 C ALA A 71 10.751 -7.560 -5.215 1.00 0.00 C ATOM 1166 O ALA A 71 10.617 -8.124 -6.301 1.00 0.00 O ATOM 1167 CB ALA A 71 9.756 -5.265 -5.145 1.00 0.00 C ATOM 0 H ALA A 71 9.638 -5.799 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 71 8.685 -7.111 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.752 -5.262 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.915 -4.677 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.688 -4.831 -4.784 1.00 0.00 H new ATOM 1173 N SER A 72 11.850 -7.666 -4.476 1.00 0.00 N ATOM 1174 CA SER A 72 12.987 -8.468 -4.911 1.00 0.00 C ATOM 1175 C SER A 72 12.614 -9.948 -4.985 1.00 0.00 C ATOM 1176 O SER A 72 13.318 -10.742 -5.610 1.00 0.00 O ATOM 1177 CB SER A 72 14.168 -8.276 -3.959 1.00 0.00 C ATOM 1178 OG SER A 72 15.030 -7.248 -4.417 1.00 0.00 O ATOM 0 H SER A 72 11.977 -7.207 -3.574 1.00 0.00 H new ATOM 0 HA SER A 72 13.274 -8.133 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.800 -8.030 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.724 -9.209 -3.871 1.00 0.00 H new ATOM 0 HG SER A 72 15.776 -7.143 -3.790 1.00 0.00 H new ATOM 1319 N PRO A 81 6.786 -12.760 5.792 1.00 0.00 N ATOM 1320 CA PRO A 81 6.950 -11.380 5.330 1.00 0.00 C ATOM 1321 C PRO A 81 8.088 -10.658 6.038 1.00 0.00 C ATOM 1322 O PRO A 81 8.364 -10.909 7.210 1.00 0.00 O ATOM 1323 CB PRO A 81 5.604 -10.714 5.671 1.00 0.00 C ATOM 1324 CG PRO A 81 4.842 -11.723 6.467 1.00 0.00 C ATOM 1325 CD PRO A 81 5.378 -13.063 6.055 1.00 0.00 C ATOM 0 HA PRO A 81 7.202 -11.342 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.754 -9.798 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.063 -10.440 4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.978 -11.560 7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.773 -11.652 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.261 -13.809 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.872 -13.451 5.171 1.00 0.00 H new ATOM 1333 N SER A 82 8.740 -9.753 5.318 1.00 0.00 N ATOM 1334 CA SER A 82 9.843 -8.986 5.878 1.00 0.00 C ATOM 1335 C SER A 82 9.351 -7.628 6.362 1.00 0.00 C ATOM 1336 O SER A 82 8.304 -7.148 5.926 1.00 0.00 O ATOM 1337 CB SER A 82 10.947 -8.802 4.836 1.00 0.00 C ATOM 1338 OG SER A 82 12.230 -8.885 5.431 1.00 0.00 O ATOM 0 H SER A 82 8.523 -9.533 4.346 1.00 0.00 H new ATOM 0 HA SER A 82 10.250 -9.536 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.852 -9.564 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.832 -7.835 4.347 1.00 0.00 H new ATOM 0 HG SER A 82 12.918 -8.766 4.743 1.00 0.00 H new ATOM 1344 N ARG A 83 10.108 -7.009 7.260 1.00 0.00 N ATOM 1345 CA ARG A 83 9.735 -5.700 7.791 1.00 0.00 C ATOM 1346 C ARG A 83 9.933 -4.608 6.739 1.00 0.00 C ATOM 1347 O ARG A 83 9.535 -3.461 6.943 1.00 0.00 O ATOM 1348 CB ARG A 83 10.527 -5.367 9.062 1.00 0.00 C ATOM 1349 CG ARG A 83 11.064 -6.583 9.804 1.00 0.00 C ATOM 1350 CD ARG A 83 10.929 -6.419 11.310 1.00 0.00 C ATOM 1351 NE ARG A 83 10.820 -7.707 11.993 1.00 0.00 N ATOM 1352 CZ ARG A 83 10.786 -7.845 13.316 1.00 0.00 C ATOM 1353 NH1 ARG A 83 10.852 -6.778 14.103 1.00 0.00 N ATOM 1354 NH2 ARG A 83 10.685 -9.052 13.854 1.00 0.00 N ATOM 0 H ARG A 83 10.978 -7.387 7.635 1.00 0.00 H new ATOM 0 HA ARG A 83 8.678 -5.741 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.363 -4.720 8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.887 -4.798 9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.524 -7.474 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.112 -6.735 9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.793 -5.877 11.695 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.049 -5.815 11.532 1.00 0.00 H new ATOM 0 HE ARG A 83 10.767 -8.550 11.421 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.929 -5.847 13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.826 -6.889 15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.633 -9.875 13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.659 -9.158 14.868 1.00 0.00 H new ATOM 1368 N GLU A 84 10.533 -4.974 5.607 1.00 0.00 N ATOM 1369 CA GLU A 84 10.764 -4.032 4.520 1.00 0.00 C ATOM 1370 C GLU A 84 9.447 -3.459 4.024 1.00 0.00 C ATOM 1371 O GLU A 84 9.302 -2.246 3.870 1.00 0.00 O ATOM 1372 CB GLU A 84 11.501 -4.719 3.369 1.00 0.00 C ATOM 1373 CG GLU A 84 13.000 -4.831 3.587 1.00 0.00 C ATOM 1374 CD GLU A 84 13.683 -5.674 2.528 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.335 -5.528 1.338 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.566 -6.480 2.890 1.00 0.00 O ATOM 0 H GLU A 84 10.868 -5.920 5.421 1.00 0.00 H new ATOM 0 HA GLU A 84 11.381 -3.216 4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.087 -5.718 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.317 -4.165 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.438 -3.833 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.189 -5.265 4.569 1.00 0.00 H new ATOM 1383 N TYR A 85 8.491 -4.341 3.766 1.00 0.00 N ATOM 1384 CA TYR A 85 7.186 -3.926 3.276 1.00 0.00 C ATOM 1385 C TYR A 85 6.112 -4.118 4.343 1.00 0.00 C ATOM 1386 O TYR A 85 5.066 -3.482 4.295 1.00 0.00 O ATOM 1387 CB TYR A 85 6.837 -4.692 2.004 1.00 0.00 C ATOM 1388 CG TYR A 85 7.578 -4.186 0.785 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.933 -3.864 0.849 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.924 -4.028 -0.430 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.608 -3.401 -0.264 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.596 -3.566 -1.547 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.936 -3.255 -1.459 1.00 0.00 C ATOM 1394 OH TYR A 85 9.606 -2.793 -2.569 1.00 0.00 O ATOM 0 H TYR A 85 8.596 -5.348 3.888 1.00 0.00 H new ATOM 0 HA TYR A 85 7.227 -2.863 3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.065 -5.748 2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.764 -4.619 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.463 -3.978 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.874 -4.270 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.657 -3.155 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.073 -3.449 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 85 8.989 -2.749 -3.329 1.00 0.00 H new ATOM 1404 N VAL A 86 6.392 -4.981 5.317 1.00 0.00 N ATOM 1405 CA VAL A 86 5.467 -5.235 6.416 1.00 0.00 C ATOM 1406 C VAL A 86 6.241 -5.514 7.697 1.00 0.00 C ATOM 1407 O VAL A 86 6.864 -6.565 7.845 1.00 0.00 O ATOM 1408 CB VAL A 86 4.522 -6.420 6.150 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.127 -5.928 5.796 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.065 -7.337 5.064 1.00 0.00 C ATOM 0 H VAL A 86 7.258 -5.518 5.366 1.00 0.00 H new ATOM 0 HA VAL A 86 4.858 -4.337 6.514 1.00 0.00 H new ATOM 0 HB VAL A 86 4.458 -7.003 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.476 -6.782 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.728 -5.339 6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.176 -5.309 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.371 -8.162 4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.181 -6.775 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.033 -7.732 5.372 1.00 0.00 H new ATOM 1420 N ASP A 87 6.194 -4.561 8.613 1.00 0.00 N ATOM 1421 CA ASP A 87 6.892 -4.672 9.889 1.00 0.00 C ATOM 1422 C ASP A 87 5.908 -4.863 11.036 1.00 0.00 C ATOM 1423 O ASP A 87 4.782 -4.368 10.987 1.00 0.00 O ATOM 1424 CB ASP A 87 7.739 -3.418 10.128 1.00 0.00 C ATOM 1425 CG ASP A 87 8.711 -3.572 11.283 1.00 0.00 C ATOM 1426 OD1 ASP A 87 8.328 -4.163 12.312 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.859 -3.095 11.157 1.00 0.00 O ATOM 0 H ASP A 87 5.674 -3.691 8.497 1.00 0.00 H new ATOM 0 HA ASP A 87 7.542 -5.546 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.295 -3.183 9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.080 -2.573 10.325 1.00 0.00 H new ATOM 1515 N GLY A 93 3.870 2.133 18.235 1.00 0.00 N ATOM 1516 CA GLY A 93 3.152 0.936 18.640 1.00 0.00 C ATOM 1517 C GLY A 93 2.173 0.451 17.586 1.00 0.00 C ATOM 1518 O GLY A 93 1.218 -0.261 17.898 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.869 0.144 18.855 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.612 1.137 19.565 1.00 0.00 H new ATOM 1522 N LYS A 94 2.418 0.828 16.336 1.00 0.00 N ATOM 1523 CA LYS A 94 1.562 0.420 15.227 1.00 0.00 C ATOM 1524 C LYS A 94 2.395 -0.290 14.164 1.00 0.00 C ATOM 1525 O LYS A 94 3.612 -0.414 14.301 1.00 0.00 O ATOM 1526 CB LYS A 94 0.835 1.626 14.617 1.00 0.00 C ATOM 1527 CG LYS A 94 0.665 2.795 15.575 1.00 0.00 C ATOM 1528 CD LYS A 94 1.708 3.874 15.336 1.00 0.00 C ATOM 1529 CE LYS A 94 1.543 5.029 16.309 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.208 6.268 15.820 1.00 0.00 N ATOM 0 H LYS A 94 3.205 1.417 16.064 1.00 0.00 H new ATOM 0 HA LYS A 94 0.807 -0.267 15.610 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.387 1.965 13.741 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.148 1.307 14.271 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.332 3.220 15.457 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.740 2.438 16.602 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.706 3.448 15.441 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.625 4.243 14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.482 5.224 16.464 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.961 4.751 17.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.160 7.001 16.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.204 6.064 15.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.726 6.606 14.963 1.00 0.00 H new ATOM 1544 N VAL A 95 1.740 -0.770 13.115 1.00 0.00 N ATOM 1545 CA VAL A 95 2.433 -1.484 12.046 1.00 0.00 C ATOM 1546 C VAL A 95 2.234 -0.803 10.690 1.00 0.00 C ATOM 1547 O VAL A 95 1.107 -0.673 10.215 1.00 0.00 O ATOM 1548 CB VAL A 95 1.948 -2.955 11.964 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.470 -3.051 12.304 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.226 -3.558 10.592 1.00 0.00 C ATOM 0 H VAL A 95 0.733 -0.679 12.980 1.00 0.00 H new ATOM 0 HA VAL A 95 3.496 -1.467 12.286 1.00 0.00 H new ATOM 0 HB VAL A 95 2.510 -3.532 12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.149 -4.091 12.241 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.305 -2.681 13.316 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.105 -2.450 11.599 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.874 -4.589 10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.706 -2.980 9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.298 -3.537 10.396 1.00 0.00 H new ATOM 1560 N TYR A 96 3.341 -0.397 10.058 1.00 0.00 N ATOM 1561 CA TYR A 96 3.275 0.237 8.742 1.00 0.00 C ATOM 1562 C TYR A 96 3.813 -0.692 7.665 1.00 0.00 C ATOM 1563 O TYR A 96 4.797 -1.400 7.874 1.00 0.00 O ATOM 1564 CB TYR A 96 4.034 1.574 8.688 1.00 0.00 C ATOM 1565 CG TYR A 96 5.058 1.782 9.781 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.140 0.928 9.925 1.00 0.00 C ATOM 1567 CD2 TYR A 96 4.945 2.852 10.656 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.081 1.135 10.918 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.878 3.068 11.647 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.945 2.206 11.776 1.00 0.00 C ATOM 1571 OH TYR A 96 7.880 2.416 12.763 1.00 0.00 O ATOM 0 H TYR A 96 4.284 -0.496 10.434 1.00 0.00 H new ATOM 0 HA TYR A 96 2.221 0.444 8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.536 1.649 7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.309 2.386 8.733 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.250 0.090 9.253 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.109 3.529 10.559 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.918 0.461 11.021 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.773 3.908 12.318 1.00 0.00 H new ATOM 0 HH TYR A 96 7.637 3.213 13.279 1.00 0.00 H new ATOM 1581 N LEU A 97 3.161 -0.678 6.510 1.00 0.00 N ATOM 1582 CA LEU A 97 3.574 -1.513 5.394 1.00 0.00 C ATOM 1583 C LEU A 97 3.512 -0.739 4.085 1.00 0.00 C ATOM 1584 O LEU A 97 2.725 0.201 3.944 1.00 0.00 O ATOM 1585 CB LEU A 97 2.710 -2.780 5.305 1.00 0.00 C ATOM 1586 CG LEU A 97 1.201 -2.577 5.488 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.871 -2.146 6.911 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.679 -1.561 4.489 1.00 0.00 C ATOM 0 H LEU A 97 2.344 -0.097 6.323 1.00 0.00 H new ATOM 0 HA LEU A 97 4.607 -1.814 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.879 -3.244 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.056 -3.486 6.060 1.00 0.00 H new ATOM 0 HG LEU A 97 0.708 -3.532 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.206 -2.010 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.205 -2.912 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.377 -1.207 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.393 -1.428 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.186 -0.608 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.869 -1.916 3.476 1.00 0.00 H new ATOM 1600 N LYS A 98 4.350 -1.143 3.133 1.00 0.00 N ATOM 1601 CA LYS A 98 4.404 -0.504 1.824 1.00 0.00 C ATOM 1602 C LYS A 98 4.066 -1.512 0.733 1.00 0.00 C ATOM 1603 O LYS A 98 4.698 -2.562 0.632 1.00 0.00 O ATOM 1604 CB LYS A 98 5.795 0.078 1.570 1.00 0.00 C ATOM 1605 CG LYS A 98 6.337 0.898 2.729 1.00 0.00 C ATOM 1606 CD LYS A 98 7.291 1.983 2.247 1.00 0.00 C ATOM 1607 CE LYS A 98 8.719 1.710 2.693 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.485 2.970 2.897 1.00 0.00 N ATOM 0 H LYS A 98 5.005 -1.916 3.247 1.00 0.00 H new ATOM 0 HA LYS A 98 3.673 0.304 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.487 -0.737 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.759 0.705 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.509 1.355 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.854 0.242 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.254 2.044 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.967 2.950 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.707 1.138 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.222 1.096 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.453 2.742 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.518 3.504 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.019 3.545 3.628 1.00 0.00 H new ATOM 1622 N ALA A 99 3.068 -1.190 -0.082 1.00 0.00 N ATOM 1623 CA ALA A 99 2.652 -2.079 -1.158 1.00 0.00 C ATOM 1624 C ALA A 99 2.672 -1.371 -2.510 1.00 0.00 C ATOM 1625 O ALA A 99 2.105 -0.289 -2.659 1.00 0.00 O ATOM 1626 CB ALA A 99 1.261 -2.623 -0.872 1.00 0.00 C ATOM 0 H ALA A 99 2.534 -0.323 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 99 3.362 -2.905 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.957 -3.287 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.273 -3.177 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.555 -1.796 -0.797 1.00 0.00 H new ATOM 1632 N PRO A 100 3.321 -1.976 -3.522 1.00 0.00 N ATOM 1633 CA PRO A 100 3.401 -1.406 -4.857 1.00 0.00 C ATOM 1634 C PRO A 100 2.257 -1.887 -5.745 1.00 0.00 C ATOM 1635 O PRO A 100 2.144 -3.076 -6.037 1.00 0.00 O ATOM 1636 CB PRO A 100 4.740 -1.944 -5.360 1.00 0.00 C ATOM 1637 CG PRO A 100 4.912 -3.268 -4.679 1.00 0.00 C ATOM 1638 CD PRO A 100 4.027 -3.267 -3.451 1.00 0.00 C ATOM 0 HA PRO A 100 3.328 -0.318 -4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.737 -2.056 -6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.556 -1.265 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.637 -4.082 -5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.954 -3.423 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.329 -4.105 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.614 -3.351 -2.536 1.00 0.00 H new ATOM 1646 N MET A 101 1.403 -0.956 -6.159 1.00 0.00 N ATOM 1647 CA MET A 101 0.259 -1.291 -7.001 1.00 0.00 C ATOM 1648 C MET A 101 0.212 -0.410 -8.243 1.00 0.00 C ATOM 1649 O MET A 101 0.982 0.542 -8.373 1.00 0.00 O ATOM 1650 CB MET A 101 -1.043 -1.149 -6.210 1.00 0.00 C ATOM 1651 CG MET A 101 -1.286 0.258 -5.683 1.00 0.00 C ATOM 1652 SD MET A 101 -1.834 0.274 -3.965 1.00 0.00 S ATOM 1653 CE MET A 101 -3.601 0.480 -4.170 1.00 0.00 C ATOM 0 H MET A 101 1.481 0.034 -5.926 1.00 0.00 H new ATOM 0 HA MET A 101 0.372 -2.327 -7.321 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.879 -1.439 -6.847 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.026 -1.844 -5.371 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.368 0.838 -5.772 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.035 0.749 -6.304 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.127 -0.158 -3.460 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.869 1.521 -3.990 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.884 0.203 -5.185 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.696 -0.738 -9.157 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.844 0.018 -10.393 1.00 0.00 C ATOM 1665 C ILE A 102 -2.007 1.004 -10.310 1.00 0.00 C ATOM 1666 O ILE A 102 -3.172 0.616 -10.383 1.00 0.00 O ATOM 1667 CB ILE A 102 -1.062 -0.919 -11.600 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.112 -1.893 -11.734 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.241 -0.114 -12.881 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.387 -1.245 -12.235 1.00 0.00 C ATOM 0 H ILE A 102 -1.340 -1.523 -9.064 1.00 0.00 H new ATOM 0 HA ILE A 102 0.083 0.574 -10.533 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.972 -1.494 -11.431 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.305 -2.351 -10.764 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.169 -2.696 -12.416 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.393 -0.794 -13.720 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.108 0.540 -12.782 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.350 0.489 -13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.174 -1.996 -12.304 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.212 -0.811 -13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.693 -0.461 -11.542 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.676 2.283 -10.178 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.681 3.337 -10.111 1.00 0.00 C ATOM 1684 C LEU A 103 -2.776 4.043 -11.455 1.00 0.00 C ATOM 1685 O LEU A 103 -1.798 4.102 -12.183 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.352 4.345 -9.009 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.947 4.018 -7.637 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.590 5.100 -6.629 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.456 3.857 -7.737 1.00 0.00 C ATOM 0 H LEU A 103 -0.714 2.616 -10.115 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.642 2.880 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.269 4.414 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.708 5.328 -9.318 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.522 3.075 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.021 4.851 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.506 5.168 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.986 6.057 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.863 3.625 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.897 4.784 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.690 3.047 -8.427 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.959 4.559 -11.776 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.213 5.256 -13.048 1.00 0.00 C ATOM 1703 C ASN A 104 -2.995 5.285 -13.983 1.00 0.00 C ATOM 1704 O ASN A 104 -2.259 6.271 -14.035 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.655 6.691 -12.757 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.129 6.784 -12.417 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.980 6.276 -13.146 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.439 7.436 -11.302 1.00 0.00 N ATOM 0 H ASN A 104 -4.774 4.509 -11.165 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.995 4.697 -13.562 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.068 7.088 -11.929 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.445 7.316 -13.625 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.415 7.531 -11.021 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.701 7.842 -10.727 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.810 4.192 -14.729 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.706 4.085 -15.679 1.00 0.00 C ATOM 1717 C GLY A 105 -0.390 4.647 -15.165 1.00 0.00 C ATOM 1718 O GLY A 105 0.229 5.481 -15.825 1.00 0.00 O ATOM 0 H GLY A 105 -3.413 3.370 -14.691 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.564 3.036 -15.939 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.978 4.607 -16.597 1.00 0.00 H new ATOM 1722 N VAL A 106 0.032 4.185 -13.993 1.00 0.00 N ATOM 1723 CA VAL A 106 1.274 4.636 -13.376 1.00 0.00 C ATOM 1724 C VAL A 106 1.647 3.723 -12.210 1.00 0.00 C ATOM 1725 O VAL A 106 0.781 3.296 -11.446 1.00 0.00 O ATOM 1726 CB VAL A 106 1.148 6.089 -12.852 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.279 6.425 -11.890 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.117 7.080 -14.004 1.00 0.00 C ATOM 0 H VAL A 106 -0.475 3.490 -13.446 1.00 0.00 H new ATOM 0 HA VAL A 106 2.050 4.602 -14.141 1.00 0.00 H new ATOM 0 HB VAL A 106 0.206 6.165 -12.308 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.165 7.450 -11.538 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.248 5.744 -11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.235 6.321 -12.402 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.028 8.093 -13.611 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.037 6.995 -14.582 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.263 6.864 -14.647 1.00 0.00 H new ATOM 1738 N CYS A 107 2.937 3.442 -12.062 1.00 0.00 N ATOM 1739 CA CYS A 107 3.403 2.598 -10.970 1.00 0.00 C ATOM 1740 C CYS A 107 3.385 3.388 -9.667 1.00 0.00 C ATOM 1741 O CYS A 107 3.970 4.468 -9.582 1.00 0.00 O ATOM 1742 CB CYS A 107 4.814 2.078 -11.253 1.00 0.00 C ATOM 1743 SG CYS A 107 5.370 0.797 -10.104 1.00 0.00 S ATOM 0 H CYS A 107 3.673 3.784 -12.680 1.00 0.00 H new ATOM 0 HA CYS A 107 2.735 1.741 -10.880 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.847 1.681 -12.268 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.513 2.914 -11.215 1.00 0.00 H new ATOM 0 HG CYS A 107 6.572 0.419 -10.424 1.00 0.00 H new ATOM 1749 N VAL A 108 2.692 2.865 -8.662 1.00 0.00 N ATOM 1750 CA VAL A 108 2.586 3.555 -7.384 1.00 0.00 C ATOM 1751 C VAL A 108 2.845 2.631 -6.198 1.00 0.00 C ATOM 1752 O VAL A 108 2.951 1.414 -6.345 1.00 0.00 O ATOM 1753 CB VAL A 108 1.198 4.196 -7.215 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.966 5.256 -8.282 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.113 3.131 -7.262 1.00 0.00 C ATOM 0 H VAL A 108 2.199 1.973 -8.707 1.00 0.00 H new ATOM 0 HA VAL A 108 3.355 4.327 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 108 1.156 4.683 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.021 5.699 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.727 6.032 -8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.026 4.798 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.863 3.601 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.151 2.615 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.273 2.413 -6.457 1.00 0.00 H new ATOM 1765 N ILE A 109 2.939 3.241 -5.023 1.00 0.00 N ATOM 1766 CA ILE A 109 3.181 2.525 -3.781 1.00 0.00 C ATOM 1767 C ILE A 109 2.399 3.175 -2.643 1.00 0.00 C ATOM 1768 O ILE A 109 2.244 4.394 -2.609 1.00 0.00 O ATOM 1769 CB ILE A 109 4.676 2.530 -3.410 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.543 2.255 -4.645 1.00 0.00 C ATOM 1771 CG2 ILE A 109 4.950 1.505 -2.319 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.018 2.119 -4.332 1.00 0.00 C ATOM 0 H ILE A 109 2.849 4.250 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 109 2.855 1.495 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 109 4.936 3.518 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.196 1.340 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.405 3.064 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.010 1.518 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.362 1.749 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.674 0.512 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.569 1.926 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.380 3.042 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.168 1.291 -3.639 1.00 0.00 H new ATOM 1784 N TRP A 110 1.910 2.367 -1.709 1.00 0.00 N ATOM 1785 CA TRP A 110 1.154 2.896 -0.580 1.00 0.00 C ATOM 1786 C TRP A 110 1.759 2.454 0.746 1.00 0.00 C ATOM 1787 O TRP A 110 1.795 1.264 1.058 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.310 2.459 -0.648 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.142 3.031 0.461 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.860 4.192 0.434 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.332 2.470 1.767 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.486 4.389 1.641 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.179 3.346 2.476 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.873 1.313 2.406 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.572 3.099 3.790 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.265 1.072 3.709 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.105 1.961 4.389 1.00 0.00 C ATOM 0 H TRP A 110 2.022 1.353 -1.710 1.00 0.00 H new ATOM 0 HA TRP A 110 1.202 3.983 -0.640 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.731 2.764 -1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.361 1.371 -0.610 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -1.926 4.859 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.082 5.182 1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.224 0.621 1.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.222 3.782 4.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.917 0.182 4.212 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.391 1.744 5.408 1.00 0.00 H new ATOM 1808 N LYS A 111 2.224 3.422 1.527 1.00 0.00 N ATOM 1809 CA LYS A 111 2.814 3.137 2.823 1.00 0.00 C ATOM 1810 C LYS A 111 1.991 3.783 3.930 1.00 0.00 C ATOM 1811 O LYS A 111 1.586 4.941 3.820 1.00 0.00 O ATOM 1812 CB LYS A 111 4.262 3.636 2.873 1.00 0.00 C ATOM 1813 CG LYS A 111 4.852 3.692 4.274 1.00 0.00 C ATOM 1814 CD LYS A 111 4.486 4.989 4.978 1.00 0.00 C ATOM 1815 CE LYS A 111 5.691 5.904 5.130 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.563 6.800 6.313 1.00 0.00 N ATOM 0 H LYS A 111 2.202 4.412 1.282 1.00 0.00 H new ATOM 0 HA LYS A 111 2.816 2.058 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.881 2.985 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.307 4.631 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.490 2.845 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.937 3.600 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.708 5.503 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.072 4.765 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.594 5.302 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.805 6.507 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.404 7.407 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.715 7.393 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.480 6.226 7.176 1.00 0.00 H new ATOM 1830 N GLY A 112 1.744 3.029 4.991 1.00 0.00 N ATOM 1831 CA GLY A 112 0.963 3.554 6.100 1.00 0.00 C ATOM 1832 C GLY A 112 0.851 2.580 7.253 1.00 0.00 C ATOM 1833 O GLY A 112 0.921 1.368 7.056 1.00 0.00 O ATOM 0 H GLY A 112 2.067 2.068 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.420 4.478 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.036 3.808 5.746 1.00 0.00 H new ATOM 1837 N TRP A 113 0.672 3.109 8.464 1.00 0.00 N ATOM 1838 CA TRP A 113 0.549 2.263 9.645 1.00 0.00 C ATOM 1839 C TRP A 113 -0.844 2.335 10.251 1.00 0.00 C ATOM 1840 O TRP A 113 -1.548 3.339 10.124 1.00 0.00 O ATOM 1841 CB TRP A 113 1.583 2.646 10.709 1.00 0.00 C ATOM 1842 CG TRP A 113 1.464 4.060 11.192 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.238 5.123 10.822 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.526 4.559 12.150 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.823 6.258 11.478 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.775 5.935 12.302 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.506 3.975 12.889 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.030 6.736 13.165 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.242 4.770 13.746 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.972 6.136 13.877 1.00 0.00 C ATOM 0 H TRP A 113 0.610 4.110 8.649 1.00 0.00 H new ATOM 0 HA TRP A 113 0.732 1.240 9.315 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.481 1.972 11.560 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.582 2.495 10.301 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.056 5.079 10.118 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.228 7.188 11.370 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.724 2.922 12.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.236 7.791 13.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.040 4.329 14.325 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.567 6.730 14.555 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.212 1.260 10.936 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.496 1.165 11.607 1.00 0.00 C ATOM 1863 C ILE A 114 -2.266 0.756 13.050 1.00 0.00 C ATOM 1864 O ILE A 114 -1.298 0.058 13.348 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.448 0.141 10.937 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.672 -0.993 10.248 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.365 0.842 9.947 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -1.977 -0.570 8.969 1.00 0.00 C ATOM 0 H ILE A 114 -0.627 0.431 11.040 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.973 2.143 11.543 1.00 0.00 H new ATOM 0 HB ILE A 114 -4.055 -0.310 11.722 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.928 -1.386 10.942 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.360 -1.808 10.024 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.028 0.111 9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.960 1.591 10.470 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -3.766 1.327 9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.451 -1.424 8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.717 -0.205 8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.263 0.223 9.188 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.141 1.182 13.949 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.977 0.838 15.351 1.00 0.00 C ATOM 1882 C ASP A 115 -3.587 -0.533 15.625 1.00 0.00 C ATOM 1883 O ASP A 115 -4.665 -0.861 15.134 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.593 1.921 16.245 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.060 1.689 16.531 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.362 0.942 17.483 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.906 2.255 15.806 1.00 0.00 O ATOM 0 H ASP A 115 -3.957 1.756 13.737 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.914 0.787 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.047 1.960 17.187 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.471 2.892 15.766 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.854 -1.345 16.372 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.265 -2.711 16.679 1.00 0.00 C ATOM 1894 C LEU A 116 -4.518 -2.806 17.556 1.00 0.00 C ATOM 1895 O LEU A 116 -4.859 -3.894 18.021 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.098 -3.448 17.332 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.772 -3.327 16.571 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.374 -3.014 17.521 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.488 -4.598 15.782 1.00 0.00 C ATOM 0 H LEU A 116 -1.959 -1.078 16.783 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.538 -3.180 15.734 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.960 -3.064 18.343 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.356 -4.503 17.425 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.860 -2.500 15.867 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.303 -2.933 16.956 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.176 -2.071 18.031 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.465 -3.813 18.257 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.457 -4.492 15.249 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.426 -5.445 16.466 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.291 -4.769 15.065 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.219 -1.694 17.774 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.436 -1.730 18.583 1.00 0.00 C ATOM 1913 C HIS A 117 -7.645 -1.311 17.748 1.00 0.00 C ATOM 1914 O HIS A 117 -8.540 -2.112 17.481 1.00 0.00 O ATOM 1915 CB HIS A 117 -6.290 -0.813 19.804 1.00 0.00 C ATOM 1916 CG HIS A 117 -7.565 -0.617 20.570 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -7.707 -0.964 21.897 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -8.759 -0.103 20.188 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -8.932 -0.671 22.297 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -9.589 -0.147 21.280 1.00 0.00 N ATOM 0 H HIS A 117 -4.972 -0.774 17.410 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.591 -2.752 18.929 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.536 -1.230 20.472 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.922 0.159 19.475 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.011 0.272 19.207 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -9.328 -0.833 23.289 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -10.557 0.174 21.302 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.648 -0.053 17.335 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.728 0.497 16.518 1.00 0.00 C ATOM 1931 C ARG A 118 -8.443 0.291 15.031 1.00 0.00 C ATOM 1932 O ARG A 118 -9.337 0.420 14.194 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.935 1.994 16.807 1.00 0.00 C ATOM 1934 CG ARG A 118 -8.095 2.539 17.955 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.276 4.040 18.113 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.217 4.791 17.441 1.00 0.00 N ATOM 1937 CZ ARG A 118 -5.966 4.869 17.888 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -5.612 4.244 19.004 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -5.065 5.573 17.217 1.00 0.00 N ATOM 0 H ARG A 118 -6.909 0.615 17.553 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.642 -0.037 16.780 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.705 2.560 15.905 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.988 2.165 17.031 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.375 2.038 18.882 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.043 2.315 17.776 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.244 4.334 17.706 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.285 4.295 19.173 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.451 5.284 16.579 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.300 3.700 19.524 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.652 4.308 19.341 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.331 6.055 16.358 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.106 5.633 17.560 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.187 -0.016 14.710 1.00 0.00 N ATOM 1954 CA LEU A 119 -6.769 -0.225 13.329 1.00 0.00 C ATOM 1955 C LEU A 119 -6.868 1.065 12.532 1.00 0.00 C ATOM 1956 O LEU A 119 -7.217 1.074 11.347 1.00 0.00 O ATOM 1957 CB LEU A 119 -7.593 -1.318 12.670 1.00 0.00 C ATOM 1958 CG LEU A 119 -6.998 -2.729 12.736 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -7.606 -3.600 11.653 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -5.482 -2.697 12.594 1.00 0.00 C ATOM 0 H LEU A 119 -6.439 -0.126 15.394 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.727 -0.543 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.578 -1.337 13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.741 -1.055 11.623 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.235 -3.151 13.713 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.177 -4.601 11.707 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.685 -3.659 11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.393 -3.167 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.090 -3.713 12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.216 -2.253 11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.053 -2.102 13.401 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.535 2.145 13.203 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.536 3.470 12.606 1.00 0.00 C ATOM 1974 C ASP A 120 -5.150 4.082 12.754 1.00 0.00 C ATOM 1975 O ASP A 120 -4.492 3.887 13.777 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.584 4.362 13.275 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.941 4.259 12.606 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.282 3.159 12.121 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.662 5.279 12.565 1.00 0.00 O ATOM 0 H ASP A 120 -6.254 2.133 14.183 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.789 3.388 11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.677 4.084 14.325 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.246 5.398 13.248 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.691 4.800 11.735 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.370 5.391 11.813 1.00 0.00 C ATOM 1986 C GLY A 121 -3.114 6.458 10.771 1.00 0.00 C ATOM 1987 O GLY A 121 -3.900 7.393 10.617 1.00 0.00 O ATOM 0 H GLY A 121 -5.201 4.981 10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.234 5.824 12.804 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.624 4.604 11.704 1.00 0.00 H new ATOM 1991 N MET A 122 -1.992 6.326 10.070 1.00 0.00 N ATOM 1992 CA MET A 122 -1.607 7.293 9.052 1.00 0.00 C ATOM 1993 C MET A 122 -1.037 6.601 7.817 1.00 0.00 C ATOM 1994 O MET A 122 -0.186 5.717 7.926 1.00 0.00 O ATOM 1995 CB MET A 122 -0.574 8.263 9.630 1.00 0.00 C ATOM 1996 CG MET A 122 -0.052 9.279 8.626 1.00 0.00 C ATOM 1997 SD MET A 122 -0.203 10.981 9.206 1.00 0.00 S ATOM 1998 CE MET A 122 -1.883 10.984 9.828 1.00 0.00 C ATOM 0 H MET A 122 -1.333 5.556 10.190 1.00 0.00 H new ATOM 0 HA MET A 122 -2.498 7.843 8.748 1.00 0.00 H new ATOM 0 HB2 MET A 122 -1.020 8.794 10.471 1.00 0.00 H new ATOM 0 HB3 MET A 122 0.266 7.691 10.024 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.995 9.065 8.411 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.598 9.170 7.689 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.259 12.007 9.855 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.514 10.382 9.174 1.00 0.00 H new ATOM 0 HE3 MET A 122 -1.899 10.565 10.834 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.509 7.012 6.644 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.033 6.426 5.405 1.00 0.00 C ATOM 2010 C GLY A 123 -0.520 7.470 4.433 1.00 0.00 C ATOM 2011 O GLY A 123 -0.494 8.660 4.747 1.00 0.00 O ATOM 0 H GLY A 123 -2.213 7.741 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.236 5.715 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.842 5.864 4.938 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.110 7.026 3.249 1.00 0.00 N ATOM 2016 CA CYS A 124 0.404 7.933 2.231 1.00 0.00 C ATOM 2017 C CYS A 124 0.698 7.187 0.934 1.00 0.00 C ATOM 2018 O CYS A 124 0.922 5.977 0.940 1.00 0.00 O ATOM 2019 CB CYS A 124 1.673 8.632 2.733 1.00 0.00 C ATOM 2020 SG CYS A 124 3.124 7.557 2.841 1.00 0.00 S ATOM 0 H CYS A 124 -0.124 6.044 2.972 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.360 8.684 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.902 9.465 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.475 9.055 3.718 1.00 0.00 H new ATOM 0 HG CYS A 124 4.141 8.243 3.272 1.00 0.00 H new ATOM 2026 N LEU A 125 0.703 7.918 -0.176 1.00 0.00 N ATOM 2027 CA LEU A 125 0.980 7.317 -1.479 1.00 0.00 C ATOM 2028 C LEU A 125 2.340 7.765 -2.007 1.00 0.00 C ATOM 2029 O LEU A 125 2.869 8.797 -1.597 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.117 7.677 -2.485 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.352 6.772 -2.461 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.411 7.286 -3.427 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.968 5.340 -2.802 1.00 0.00 C ATOM 0 H LEU A 125 0.520 8.921 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 125 0.997 6.235 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.435 8.703 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.311 7.653 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.770 6.787 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.281 6.630 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.707 8.295 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.004 7.302 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.857 4.710 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.525 5.309 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.246 4.973 -2.072 1.00 0.00 H new ATOM 2045 N GLU A 126 2.902 6.979 -2.914 1.00 0.00 N ATOM 2046 CA GLU A 126 4.197 7.281 -3.507 1.00 0.00 C ATOM 2047 C GLU A 126 4.262 6.719 -4.919 1.00 0.00 C ATOM 2048 O GLU A 126 3.521 5.799 -5.255 1.00 0.00 O ATOM 2049 CB GLU A 126 5.326 6.698 -2.656 1.00 0.00 C ATOM 2050 CG GLU A 126 6.702 7.233 -3.022 1.00 0.00 C ATOM 2051 CD GLU A 126 7.758 6.875 -1.994 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.857 7.588 -0.973 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.487 5.885 -2.211 1.00 0.00 O ATOM 0 H GLU A 126 2.476 6.118 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 126 4.320 8.363 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.128 6.915 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.327 5.613 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.996 6.835 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.651 8.317 -3.123 1.00 0.00 H new ATOM 2060 N PHE A 127 5.138 7.265 -5.750 1.00 0.00 N ATOM 2061 CA PHE A 127 5.271 6.791 -7.112 1.00 0.00 C ATOM 2062 C PHE A 127 6.589 6.036 -7.273 1.00 0.00 C ATOM 2063 O PHE A 127 7.612 6.432 -6.714 1.00 0.00 O ATOM 2064 CB PHE A 127 5.175 7.977 -8.078 1.00 0.00 C ATOM 2065 CG PHE A 127 5.820 7.739 -9.407 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.193 7.734 -9.516 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.054 7.525 -10.537 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.799 7.517 -10.737 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.653 7.308 -11.761 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.030 7.303 -11.861 1.00 0.00 C ATOM 0 H PHE A 127 5.763 8.033 -5.503 1.00 0.00 H new ATOM 0 HA PHE A 127 4.462 6.098 -7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.124 8.219 -8.235 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.637 8.848 -7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.800 7.901 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.977 7.528 -10.461 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.876 7.515 -10.812 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.046 7.142 -12.639 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.503 7.132 -12.817 1.00 0.00 H new ATOM 2080 N ASP A 128 6.555 4.942 -8.025 1.00 0.00 N ATOM 2081 CA ASP A 128 7.748 4.130 -8.239 1.00 0.00 C ATOM 2082 C ASP A 128 8.528 4.604 -9.462 1.00 0.00 C ATOM 2083 O ASP A 128 8.052 4.501 -10.591 1.00 0.00 O ATOM 2084 CB ASP A 128 7.365 2.660 -8.406 1.00 0.00 C ATOM 2085 CG ASP A 128 8.313 1.729 -7.676 1.00 0.00 C ATOM 2086 OD1 ASP A 128 8.674 2.037 -6.521 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.694 0.692 -8.259 1.00 0.00 O ATOM 0 H ASP A 128 5.718 4.597 -8.495 1.00 0.00 H new ATOM 0 HA ASP A 128 8.387 4.239 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.352 2.507 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.357 2.408 -9.466 1.00 0.00 H new ATOM 2092 N GLU A 129 9.731 5.121 -9.227 1.00 0.00 N ATOM 2093 CA GLU A 129 10.584 5.607 -10.307 1.00 0.00 C ATOM 2094 C GLU A 129 11.417 4.473 -10.901 1.00 0.00 C ATOM 2095 O GLU A 129 11.878 4.560 -12.039 1.00 0.00 O ATOM 2096 CB GLU A 129 11.508 6.717 -9.796 1.00 0.00 C ATOM 2097 CG GLU A 129 10.912 8.114 -9.894 1.00 0.00 C ATOM 2098 CD GLU A 129 11.868 9.190 -9.419 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.601 8.941 -8.439 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.884 10.281 -10.027 1.00 0.00 O ATOM 0 H GLU A 129 10.138 5.214 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 129 9.939 6.008 -11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.762 6.514 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.439 6.690 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.631 8.313 -10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.998 8.158 -9.301 1.00 0.00 H new