USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 788 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 3 THR OG1 : rot 180:sc= 0.226 USER MOD Set 1.2: A 77 THR OG1 : rot -63:sc= 0.114 USER MOD Set 2.1: A 59 CYS SG : rot 106:sc= -0.822 USER MOD Set 2.2: A 69 TYR OH : rot 52:sc= 0.463 USER MOD Set 3.1: A 36 THR OG1 : rot -140:sc= -0.698 USER MOD Set 3.2: A 38 GLN : amide:sc= -0.798 K(o=-1.5,f=-2.8!) USER MOD Set 4.1: A 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000501) USER MOD Set 4.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.0177 (180deg=-0.194) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.165 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 142:sc=-0.00969 (180deg=-1.64!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00981 X(o=-0.0098,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.487 (180deg=-1.14) USER MOD Single : A 44 TYR OH : rot -142:sc= 1.32 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00776) USER MOD Single : A 47 HIS : no HD1:sc= -0.895 K(o=-0.89,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.015) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -148:sc= -0.15 (180deg=-0.775) USER MOD Single : A 74 GLN : amide:sc= -3.33 K(o=-3.3,f=-1.8) USER MOD Single : A 76 ASN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc=-0.000501 X(o=-0.0005,f=-0.25) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.084 -5.454 13.212 1.00 0.00 N ATOM 2 CA MET A 1 1.326 -5.795 13.952 1.00 0.00 C ATOM 3 C MET A 1 2.302 -6.566 13.069 1.00 0.00 C ATOM 4 O MET A 1 3.080 -7.388 13.554 1.00 0.00 O ATOM 5 CB MET A 1 0.950 -6.632 15.177 1.00 0.00 C ATOM 6 CG MET A 1 2.038 -6.682 16.237 1.00 0.00 C ATOM 7 SD MET A 1 1.757 -5.506 17.576 1.00 0.00 S ATOM 8 CE MET A 1 3.436 -5.209 18.123 1.00 0.00 C ATOM 0 H1 MET A 1 -0.686 -5.279 13.889 1.00 0.00 H new ATOM 0 H2 MET A 1 0.244 -4.600 12.641 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.176 -6.244 12.588 1.00 0.00 H new ATOM 0 HA MET A 1 1.821 -4.874 14.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.041 -6.225 15.620 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.720 -7.648 14.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.093 -7.690 16.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.002 -6.475 15.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.429 -4.499 18.950 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.882 -6.147 18.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.020 -4.800 17.299 1.00 0.00 H new ATOM 20 N LEU A 2 2.257 -6.295 11.768 1.00 0.00 N ATOM 21 CA LEU A 2 3.140 -6.963 10.817 1.00 0.00 C ATOM 22 C LEU A 2 4.342 -6.085 10.483 1.00 0.00 C ATOM 23 O LEU A 2 4.237 -4.859 10.450 1.00 0.00 O ATOM 24 CB LEU A 2 2.375 -7.312 9.537 1.00 0.00 C ATOM 25 CG LEU A 2 0.936 -7.787 9.751 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.030 -6.615 9.661 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.572 -8.859 8.735 1.00 0.00 C ATOM 0 H LEU A 2 1.619 -5.618 11.348 1.00 0.00 H new ATOM 0 HA LEU A 2 3.501 -7.883 11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.359 -6.434 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.923 -8.090 9.005 1.00 0.00 H new ATOM 0 HG LEU A 2 0.860 -8.220 10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.049 -6.970 9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.218 -5.880 10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.048 -6.154 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.455 -9.185 8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.664 -8.452 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.245 -9.709 8.846 1.00 0.00 H new ATOM 39 N THR A 3 5.482 -6.722 10.235 1.00 0.00 N ATOM 40 CA THR A 3 6.704 -5.997 9.903 1.00 0.00 C ATOM 41 C THR A 3 6.522 -5.178 8.629 1.00 0.00 C ATOM 42 O THR A 3 5.436 -5.145 8.049 1.00 0.00 O ATOM 43 CB THR A 3 7.873 -6.971 9.733 1.00 0.00 C ATOM 44 OG1 THR A 3 7.544 -8.248 10.250 1.00 0.00 O ATOM 45 CG2 THR A 3 9.138 -6.512 10.423 1.00 0.00 C ATOM 0 H THR A 3 5.585 -7.736 10.257 1.00 0.00 H new ATOM 0 HA THR A 3 6.925 -5.316 10.725 1.00 0.00 H new ATOM 0 HB THR A 3 8.056 -7.015 8.659 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.304 -8.855 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.927 -7.247 10.263 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.449 -5.551 10.012 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.952 -6.406 11.492 1.00 0.00 H new ATOM 53 N ILE A 4 7.592 -4.516 8.200 1.00 0.00 N ATOM 54 CA ILE A 4 7.553 -3.697 6.998 1.00 0.00 C ATOM 55 C ILE A 4 8.694 -4.055 6.052 1.00 0.00 C ATOM 56 O ILE A 4 9.851 -3.716 6.303 1.00 0.00 O ATOM 57 CB ILE A 4 7.633 -2.198 7.342 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.585 -1.839 8.396 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.445 -1.357 6.091 1.00 0.00 C ATOM 60 CD1 ILE A 4 7.101 -1.924 9.815 1.00 0.00 C ATOM 0 H ILE A 4 8.497 -4.532 8.669 1.00 0.00 H new ATOM 0 HA ILE A 4 6.602 -3.899 6.505 1.00 0.00 H new ATOM 0 HB ILE A 4 8.620 -1.986 7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.225 -0.827 8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.730 -2.506 8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.504 -0.300 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.226 -1.598 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.469 -1.569 5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.304 -1.656 10.509 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.434 -2.941 10.021 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.937 -1.236 9.940 1.00 0.00 H new ATOM 72 N GLU A 5 8.360 -4.739 4.964 1.00 0.00 N ATOM 73 CA GLU A 5 9.356 -5.140 3.977 1.00 0.00 C ATOM 74 C GLU A 5 9.294 -4.239 2.748 1.00 0.00 C ATOM 75 O GLU A 5 8.295 -3.559 2.514 1.00 0.00 O ATOM 76 CB GLU A 5 9.142 -6.599 3.567 1.00 0.00 C ATOM 77 CG GLU A 5 10.017 -7.580 4.332 1.00 0.00 C ATOM 78 CD GLU A 5 11.489 -7.428 3.999 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.873 -6.363 3.474 1.00 0.00 O ATOM 80 OE2 GLU A 5 12.258 -8.377 4.265 1.00 0.00 O ATOM 0 H GLU A 5 7.407 -5.028 4.743 1.00 0.00 H new ATOM 0 HA GLU A 5 10.342 -5.040 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.095 -6.861 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.342 -6.701 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.873 -7.432 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.700 -8.598 4.105 1.00 0.00 H new ATOM 87 N THR A 6 10.369 -4.236 1.967 1.00 0.00 N ATOM 88 CA THR A 6 10.435 -3.416 0.762 1.00 0.00 C ATOM 89 C THR A 6 11.094 -4.178 -0.383 1.00 0.00 C ATOM 90 O THR A 6 11.929 -5.056 -0.157 1.00 0.00 O ATOM 91 CB THR A 6 11.204 -2.125 1.039 1.00 0.00 C ATOM 92 OG1 THR A 6 12.508 -2.409 1.514 1.00 0.00 O ATOM 93 CG2 THR A 6 10.530 -1.230 2.057 1.00 0.00 C ATOM 0 H THR A 6 11.206 -4.791 2.146 1.00 0.00 H new ATOM 0 HA THR A 6 9.415 -3.168 0.468 1.00 0.00 H new ATOM 0 HB THR A 6 11.236 -1.600 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.984 -1.570 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.130 -0.332 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.540 -0.950 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.434 -1.763 3.003 1.00 0.00 H new ATOM 101 N SER A 7 10.715 -3.836 -1.610 1.00 0.00 N ATOM 102 CA SER A 7 11.269 -4.486 -2.791 1.00 0.00 C ATOM 103 C SER A 7 12.187 -3.536 -3.552 1.00 0.00 C ATOM 104 O SER A 7 12.546 -2.469 -3.053 1.00 0.00 O ATOM 105 CB SER A 7 10.144 -4.970 -3.707 1.00 0.00 C ATOM 106 OG SER A 7 9.648 -3.914 -4.511 1.00 0.00 O ATOM 0 H SER A 7 10.026 -3.112 -1.812 1.00 0.00 H new ATOM 0 HA SER A 7 11.855 -5.345 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.511 -5.774 -4.344 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.335 -5.384 -3.106 1.00 0.00 H new ATOM 0 HG SER A 7 8.931 -4.251 -5.088 1.00 0.00 H new ATOM 112 N LYS A 8 12.565 -3.929 -4.765 1.00 0.00 N ATOM 113 CA LYS A 8 13.442 -3.110 -5.595 1.00 0.00 C ATOM 114 C LYS A 8 12.673 -1.953 -6.223 1.00 0.00 C ATOM 115 O LYS A 8 12.992 -0.786 -5.996 1.00 0.00 O ATOM 116 CB LYS A 8 14.084 -3.964 -6.690 1.00 0.00 C ATOM 117 CG LYS A 8 14.876 -5.147 -6.155 1.00 0.00 C ATOM 118 CD LYS A 8 16.325 -5.104 -6.613 1.00 0.00 C ATOM 119 CE LYS A 8 17.130 -4.085 -5.821 1.00 0.00 C ATOM 120 NZ LYS A 8 17.993 -4.734 -4.795 1.00 0.00 N ATOM 0 H LYS A 8 12.278 -4.809 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 8 14.224 -2.699 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.304 -4.332 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.744 -3.336 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.838 -5.148 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.415 -6.076 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.773 -6.091 -6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.365 -4.856 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.751 -3.504 -6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.451 -3.385 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.525 -4.005 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.399 -5.268 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.659 -5.383 -5.261 1.00 0.00 H new ATOM 134 N LYS A 9 11.657 -2.284 -7.013 1.00 0.00 N ATOM 135 CA LYS A 9 10.841 -1.272 -7.675 1.00 0.00 C ATOM 136 C LYS A 9 10.171 -0.359 -6.653 1.00 0.00 C ATOM 137 O LYS A 9 9.973 0.830 -6.903 1.00 0.00 O ATOM 138 CB LYS A 9 9.779 -1.937 -8.552 1.00 0.00 C ATOM 139 CG LYS A 9 10.352 -2.910 -9.570 1.00 0.00 C ATOM 140 CD LYS A 9 9.303 -3.906 -10.041 1.00 0.00 C ATOM 141 CE LYS A 9 9.889 -5.299 -10.197 1.00 0.00 C ATOM 142 NZ LYS A 9 9.173 -6.090 -11.235 1.00 0.00 N ATOM 0 H LYS A 9 11.379 -3.245 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 9 11.496 -0.668 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.072 -2.467 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.217 -1.164 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.740 -2.357 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.192 -3.446 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.480 -3.934 -9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.888 -3.576 -10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.943 -5.222 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.839 -5.823 -9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.603 -7.034 -11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.172 -6.186 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.243 -5.603 -12.152 1.00 0.00 H new ATOM 156 N PHE A 10 9.825 -0.922 -5.499 1.00 0.00 N ATOM 157 CA PHE A 10 9.177 -0.160 -4.439 1.00 0.00 C ATOM 158 C PHE A 10 10.056 1.003 -3.988 1.00 0.00 C ATOM 159 O PHE A 10 9.617 2.152 -3.966 1.00 0.00 O ATOM 160 CB PHE A 10 8.864 -1.069 -3.249 1.00 0.00 C ATOM 161 CG PHE A 10 8.111 -0.378 -2.149 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.785 -0.018 -2.320 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.730 -0.090 -0.942 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.088 0.616 -1.309 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.038 0.546 0.072 1.00 0.00 C ATOM 166 CZ PHE A 10 6.715 0.899 -0.112 1.00 0.00 C ATOM 0 H PHE A 10 9.983 -1.904 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 10 8.245 0.245 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.281 -1.922 -3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.798 -1.463 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.289 -0.235 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.764 -0.365 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.054 0.890 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.531 0.767 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.172 1.395 0.679 1.00 0.00 H new ATOM 176 N ASP A 11 11.298 0.695 -3.630 1.00 0.00 N ATOM 177 CA ASP A 11 12.238 1.716 -3.180 1.00 0.00 C ATOM 178 C ASP A 11 12.474 2.760 -4.267 1.00 0.00 C ATOM 179 O ASP A 11 12.749 3.922 -3.974 1.00 0.00 O ATOM 180 CB ASP A 11 13.566 1.068 -2.776 1.00 0.00 C ATOM 181 CG ASP A 11 13.961 1.400 -1.350 1.00 0.00 C ATOM 182 OD1 ASP A 11 13.853 2.583 -0.963 1.00 0.00 O ATOM 183 OD2 ASP A 11 14.376 0.476 -0.619 1.00 0.00 O ATOM 0 H ASP A 11 11.677 -0.252 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 11 11.806 2.218 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.488 -0.014 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.351 1.401 -3.455 1.00 0.00 H new ATOM 188 N LYS A 12 12.366 2.336 -5.523 1.00 0.00 N ATOM 189 CA LYS A 12 12.569 3.235 -6.655 1.00 0.00 C ATOM 190 C LYS A 12 11.300 4.024 -6.977 1.00 0.00 C ATOM 191 O LYS A 12 11.319 4.919 -7.821 1.00 0.00 O ATOM 192 CB LYS A 12 13.015 2.444 -7.885 1.00 0.00 C ATOM 193 CG LYS A 12 14.149 1.471 -7.605 1.00 0.00 C ATOM 194 CD LYS A 12 14.124 0.294 -8.568 1.00 0.00 C ATOM 195 CE LYS A 12 15.513 -0.291 -8.767 1.00 0.00 C ATOM 196 NZ LYS A 12 16.008 -0.976 -7.540 1.00 0.00 N ATOM 0 H LYS A 12 12.139 1.376 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 12 13.349 3.945 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.163 1.891 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.330 3.142 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.104 1.990 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.072 1.106 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.455 -0.477 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.723 0.617 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.493 -0.999 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.206 0.504 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.536 -1.831 -7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.634 -0.334 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.200 -1.242 -6.941 1.00 0.00 H new ATOM 210 N ASP A 13 10.199 3.689 -6.308 1.00 0.00 N ATOM 211 CA ASP A 13 8.930 4.372 -6.537 1.00 0.00 C ATOM 212 C ASP A 13 8.780 5.577 -5.610 1.00 0.00 C ATOM 213 O ASP A 13 8.125 6.558 -5.957 1.00 0.00 O ATOM 214 CB ASP A 13 7.763 3.404 -6.333 1.00 0.00 C ATOM 215 CG ASP A 13 6.866 3.312 -7.550 1.00 0.00 C ATOM 216 OD1 ASP A 13 7.395 3.353 -8.681 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.634 3.199 -7.375 1.00 0.00 O ATOM 0 H ASP A 13 10.161 2.951 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 13 8.920 4.730 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.153 2.414 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.174 3.726 -5.475 1.00 0.00 H new ATOM 222 N LEU A 14 9.388 5.493 -4.432 1.00 0.00 N ATOM 223 CA LEU A 14 9.316 6.574 -3.456 1.00 0.00 C ATOM 224 C LEU A 14 10.376 7.637 -3.735 1.00 0.00 C ATOM 225 O LEU A 14 10.124 8.832 -3.584 1.00 0.00 O ATOM 226 CB LEU A 14 9.492 6.024 -2.039 1.00 0.00 C ATOM 227 CG LEU A 14 10.840 5.356 -1.765 1.00 0.00 C ATOM 228 CD1 LEU A 14 11.804 6.343 -1.127 1.00 0.00 C ATOM 229 CD2 LEU A 14 10.659 4.135 -0.874 1.00 0.00 C ATOM 0 H LEU A 14 9.936 4.688 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 14 8.333 7.037 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.358 6.841 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.700 5.301 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 14 11.262 5.029 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.758 5.850 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.958 7.187 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.388 6.700 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.629 3.672 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.216 4.439 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.003 3.418 -1.368 1.00 0.00 H new ATOM 241 N LYS A 15 11.561 7.194 -4.143 1.00 0.00 N ATOM 242 CA LYS A 15 12.658 8.108 -4.442 1.00 0.00 C ATOM 243 C LYS A 15 12.274 9.090 -5.546 1.00 0.00 C ATOM 244 O LYS A 15 12.867 10.162 -5.667 1.00 0.00 O ATOM 245 CB LYS A 15 13.905 7.322 -4.855 1.00 0.00 C ATOM 246 CG LYS A 15 13.737 6.552 -6.154 1.00 0.00 C ATOM 247 CD LYS A 15 15.001 5.786 -6.515 1.00 0.00 C ATOM 248 CE LYS A 15 16.103 6.719 -6.989 1.00 0.00 C ATOM 249 NZ LYS A 15 17.306 5.970 -7.446 1.00 0.00 N ATOM 0 H LYS A 15 11.786 6.208 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 15 12.875 8.678 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.742 8.013 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.164 6.623 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.903 5.857 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.487 7.244 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.347 5.224 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.777 5.060 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.729 7.338 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.381 7.393 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.034 6.642 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.678 5.399 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.047 5.345 -8.236 1.00 0.00 H new ATOM 263 N ILE A 16 11.282 8.720 -6.352 1.00 0.00 N ATOM 264 CA ILE A 16 10.826 9.572 -7.443 1.00 0.00 C ATOM 265 C ILE A 16 9.731 10.529 -6.979 1.00 0.00 C ATOM 266 O ILE A 16 9.586 11.626 -7.517 1.00 0.00 O ATOM 267 CB ILE A 16 10.298 8.735 -8.624 1.00 0.00 C ATOM 268 CG1 ILE A 16 11.329 7.682 -9.031 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.953 9.634 -9.803 1.00 0.00 C ATOM 270 CD1 ILE A 16 12.600 8.268 -9.610 1.00 0.00 C ATOM 0 H ILE A 16 10.780 7.836 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 16 11.689 10.150 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 16 9.389 8.223 -8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.582 7.078 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.881 7.012 -9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.582 9.026 -10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.185 10.348 -9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.845 10.173 -10.123 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.284 7.462 -9.876 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.360 8.849 -10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 16 13.072 8.916 -8.871 1.00 0.00 H new ATOM 282 N LEU A 17 8.962 10.104 -5.981 1.00 0.00 N ATOM 283 CA LEU A 17 7.880 10.926 -5.450 1.00 0.00 C ATOM 284 C LEU A 17 8.414 11.985 -4.492 1.00 0.00 C ATOM 285 O LEU A 17 7.869 13.085 -4.401 1.00 0.00 O ATOM 286 CB LEU A 17 6.849 10.049 -4.737 1.00 0.00 C ATOM 287 CG LEU A 17 5.892 9.292 -5.661 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.407 8.013 -4.995 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.714 10.176 -6.044 1.00 0.00 C ATOM 0 H LEU A 17 9.068 9.198 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 17 7.401 11.433 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.377 9.326 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.262 10.677 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 17 6.430 9.022 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.728 7.488 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.261 7.374 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.885 8.260 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.043 9.623 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.176 10.475 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.078 11.064 -6.561 1.00 0.00 H new ATOM 301 N VAL A 18 9.483 11.646 -3.779 1.00 0.00 N ATOM 302 CA VAL A 18 10.090 12.569 -2.827 1.00 0.00 C ATOM 303 C VAL A 18 10.605 13.823 -3.528 1.00 0.00 C ATOM 304 O VAL A 18 10.624 14.908 -2.946 1.00 0.00 O ATOM 305 CB VAL A 18 11.250 11.904 -2.060 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.355 11.481 -3.016 1.00 0.00 C ATOM 307 CG2 VAL A 18 11.792 12.840 -0.989 1.00 0.00 C ATOM 0 H VAL A 18 9.947 10.740 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 18 9.312 12.849 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 18 10.866 11.010 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.164 11.014 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.958 10.769 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.737 12.357 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.610 12.352 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.157 13.755 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.998 13.085 -0.284 1.00 0.00 H new ATOM 317 N LYS A 19 11.022 13.668 -4.780 1.00 0.00 N ATOM 318 CA LYS A 19 11.537 14.787 -5.559 1.00 0.00 C ATOM 319 C LYS A 19 10.397 15.634 -6.116 1.00 0.00 C ATOM 320 O LYS A 19 10.495 16.860 -6.182 1.00 0.00 O ATOM 321 CB LYS A 19 12.416 14.278 -6.703 1.00 0.00 C ATOM 322 CG LYS A 19 13.336 15.339 -7.284 1.00 0.00 C ATOM 323 CD LYS A 19 13.925 14.899 -8.614 1.00 0.00 C ATOM 324 CE LYS A 19 15.288 14.250 -8.431 1.00 0.00 C ATOM 325 NZ LYS A 19 15.190 12.768 -8.342 1.00 0.00 N ATOM 0 H LYS A 19 11.013 12.777 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 19 12.139 15.411 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.019 13.444 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.777 13.890 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.782 16.268 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.141 15.549 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.248 14.196 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.017 15.760 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.934 14.521 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.756 14.638 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.140 12.364 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.594 12.508 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.767 12.395 -9.216 1.00 0.00 H new ATOM 339 N ASN A 20 9.317 14.971 -6.518 1.00 0.00 N ATOM 340 CA ASN A 20 8.158 15.663 -7.070 1.00 0.00 C ATOM 341 C ASN A 20 7.322 16.294 -5.960 1.00 0.00 C ATOM 342 O ASN A 20 6.692 17.332 -6.158 1.00 0.00 O ATOM 343 CB ASN A 20 7.299 14.691 -7.885 1.00 0.00 C ATOM 344 CG ASN A 20 7.454 14.899 -9.379 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.470 15.065 -10.099 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.695 14.890 -9.852 1.00 0.00 N ATOM 0 H ASN A 20 9.221 13.957 -6.472 1.00 0.00 H new ATOM 0 HA ASN A 20 8.516 16.457 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.574 13.667 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.252 14.817 -7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.862 15.024 -10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.481 14.749 -9.218 1.00 0.00 H new ATOM 353 N GLY A 21 7.321 15.659 -4.792 1.00 0.00 N ATOM 354 CA GLY A 21 6.560 16.173 -3.670 1.00 0.00 C ATOM 355 C GLY A 21 5.987 15.069 -2.802 1.00 0.00 C ATOM 356 O GLY A 21 4.811 14.727 -2.916 1.00 0.00 O ATOM 0 H GLY A 21 7.834 14.798 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.201 16.812 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.747 16.797 -4.042 1.00 0.00 H new ATOM 360 N PHE A 22 6.823 14.511 -1.931 1.00 0.00 N ATOM 361 CA PHE A 22 6.393 13.439 -1.040 1.00 0.00 C ATOM 362 C PHE A 22 7.236 13.418 0.231 1.00 0.00 C ATOM 363 O PHE A 22 8.332 13.979 0.271 1.00 0.00 O ATOM 364 CB PHE A 22 6.489 12.088 -1.751 1.00 0.00 C ATOM 365 CG PHE A 22 5.891 10.953 -0.969 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.551 10.965 -0.618 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.671 9.873 -0.584 1.00 0.00 C ATOM 368 CE1 PHE A 22 3.999 9.924 0.103 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.125 8.828 0.135 1.00 0.00 C ATOM 370 CZ PHE A 22 4.786 8.853 0.479 1.00 0.00 C ATOM 0 H PHE A 22 7.800 14.783 -1.824 1.00 0.00 H new ATOM 0 HA PHE A 22 5.355 13.624 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.986 12.158 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.537 11.867 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.930 11.799 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.718 9.849 -0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.953 9.948 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.743 7.992 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.356 8.037 1.041 1.00 0.00 H new ATOM 380 N ASP A 23 6.717 12.768 1.269 1.00 0.00 N ATOM 381 CA ASP A 23 7.423 12.675 2.542 1.00 0.00 C ATOM 382 C ASP A 23 7.954 11.263 2.768 1.00 0.00 C ATOM 383 O ASP A 23 7.653 10.346 2.002 1.00 0.00 O ATOM 384 CB ASP A 23 6.496 13.073 3.693 1.00 0.00 C ATOM 385 CG ASP A 23 6.593 14.549 4.028 1.00 0.00 C ATOM 386 OD1 ASP A 23 7.728 15.063 4.125 1.00 0.00 O ATOM 387 OD2 ASP A 23 5.535 15.189 4.197 1.00 0.00 O ATOM 0 H ASP A 23 5.811 12.299 1.253 1.00 0.00 H new ATOM 0 HA ASP A 23 8.269 13.362 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.467 12.830 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.745 12.485 4.577 1.00 0.00 H new ATOM 392 N LEU A 24 8.745 11.095 3.822 1.00 0.00 N ATOM 393 CA LEU A 24 9.317 9.795 4.148 1.00 0.00 C ATOM 394 C LEU A 24 8.518 9.108 5.250 1.00 0.00 C ATOM 395 O LEU A 24 8.014 8.000 5.068 1.00 0.00 O ATOM 396 CB LEU A 24 10.776 9.950 4.583 1.00 0.00 C ATOM 397 CG LEU A 24 11.725 10.455 3.496 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.402 11.897 3.135 1.00 0.00 C ATOM 399 CD2 LEU A 24 13.171 10.328 3.951 1.00 0.00 C ATOM 0 H LEU A 24 9.004 11.843 4.465 1.00 0.00 H new ATOM 0 HA LEU A 24 9.275 9.175 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.816 10.638 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.137 8.986 4.940 1.00 0.00 H new ATOM 0 HG LEU A 24 11.590 9.840 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.087 12.240 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.378 11.959 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.509 12.526 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.833 10.692 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.321 10.919 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.396 9.282 4.160 1.00 0.00 H new ATOM 411 N LYS A 25 8.405 9.775 6.395 1.00 0.00 N ATOM 412 CA LYS A 25 7.667 9.229 7.529 1.00 0.00 C ATOM 413 C LYS A 25 6.201 8.994 7.168 1.00 0.00 C ATOM 414 O LYS A 25 5.516 8.201 7.813 1.00 0.00 O ATOM 415 CB LYS A 25 7.763 10.173 8.728 1.00 0.00 C ATOM 416 CG LYS A 25 7.879 9.452 10.062 1.00 0.00 C ATOM 417 CD LYS A 25 8.269 10.406 11.181 1.00 0.00 C ATOM 418 CE LYS A 25 7.075 10.761 12.053 1.00 0.00 C ATOM 419 NZ LYS A 25 6.241 11.834 11.444 1.00 0.00 N ATOM 0 H LYS A 25 8.815 10.694 6.562 1.00 0.00 H new ATOM 0 HA LYS A 25 8.114 8.270 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.628 10.823 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.882 10.814 8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.928 8.976 10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.622 8.658 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.046 9.950 11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.692 11.315 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.464 9.872 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.425 11.086 13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.447 12.058 12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.821 12.685 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.871 11.509 10.528 1.00 0.00 H new ATOM 433 N LEU A 26 5.726 9.686 6.136 1.00 0.00 N ATOM 434 CA LEU A 26 4.342 9.550 5.693 1.00 0.00 C ATOM 435 C LEU A 26 3.986 8.087 5.450 1.00 0.00 C ATOM 436 O LEU A 26 3.011 7.573 6.002 1.00 0.00 O ATOM 437 CB LEU A 26 4.111 10.361 4.417 1.00 0.00 C ATOM 438 CG LEU A 26 2.646 10.654 4.091 1.00 0.00 C ATOM 439 CD1 LEU A 26 1.920 9.375 3.702 1.00 0.00 C ATOM 440 CD2 LEU A 26 1.958 11.318 5.275 1.00 0.00 C ATOM 0 H LEU A 26 6.280 10.347 5.591 1.00 0.00 H new ATOM 0 HA LEU A 26 3.697 9.934 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.644 11.308 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.553 9.823 3.578 1.00 0.00 H new ATOM 0 HG LEU A 26 2.613 11.340 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.879 9.603 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.397 8.938 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.963 8.666 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.916 11.519 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.002 10.656 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.462 12.255 5.510 1.00 0.00 H new ATOM 452 N LEU A 27 4.783 7.417 4.622 1.00 0.00 N ATOM 453 CA LEU A 27 4.553 6.014 4.307 1.00 0.00 C ATOM 454 C LEU A 27 4.633 5.155 5.566 1.00 0.00 C ATOM 455 O LEU A 27 3.779 4.301 5.802 1.00 0.00 O ATOM 456 CB LEU A 27 5.574 5.527 3.277 1.00 0.00 C ATOM 457 CG LEU A 27 5.210 4.218 2.573 1.00 0.00 C ATOM 458 CD1 LEU A 27 5.510 4.308 1.084 1.00 0.00 C ATOM 459 CD2 LEU A 27 5.959 3.051 3.200 1.00 0.00 C ATOM 0 H LEU A 27 5.594 7.825 4.158 1.00 0.00 H new ATOM 0 HA LEU A 27 3.551 5.920 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.705 6.303 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.536 5.399 3.774 1.00 0.00 H new ATOM 0 HG LEU A 27 4.140 4.048 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.244 3.367 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.929 5.118 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.572 4.503 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.689 2.128 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.032 3.216 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.693 2.972 4.254 1.00 0.00 H new ATOM 471 N TYR A 28 5.665 5.388 6.370 1.00 0.00 N ATOM 472 CA TYR A 28 5.856 4.637 7.605 1.00 0.00 C ATOM 473 C TYR A 28 4.676 4.834 8.553 1.00 0.00 C ATOM 474 O TYR A 28 4.404 3.987 9.404 1.00 0.00 O ATOM 475 CB TYR A 28 7.155 5.065 8.290 1.00 0.00 C ATOM 476 CG TYR A 28 8.337 4.186 7.951 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.477 2.928 8.524 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.311 4.611 7.058 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.556 2.119 8.217 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.393 3.809 6.746 1.00 0.00 C ATOM 481 CZ TYR A 28 10.511 2.565 7.328 1.00 0.00 C ATOM 482 OH TYR A 28 11.585 1.763 7.019 1.00 0.00 O ATOM 0 H TYR A 28 6.382 6.091 6.188 1.00 0.00 H new ATOM 0 HA TYR A 28 5.919 3.579 7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.384 6.092 8.006 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.006 5.058 9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.731 2.576 9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.222 5.585 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.650 1.144 8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.142 4.155 6.050 1.00 0.00 H new ATOM 0 HH TYR A 28 12.164 2.225 6.377 1.00 0.00 H new ATOM 492 N LYS A 29 3.981 5.958 8.403 1.00 0.00 N ATOM 493 CA LYS A 29 2.831 6.263 9.247 1.00 0.00 C ATOM 494 C LYS A 29 1.555 5.653 8.674 1.00 0.00 C ATOM 495 O LYS A 29 0.630 5.316 9.414 1.00 0.00 O ATOM 496 CB LYS A 29 2.666 7.777 9.393 1.00 0.00 C ATOM 497 CG LYS A 29 2.262 8.214 10.792 1.00 0.00 C ATOM 498 CD LYS A 29 3.462 8.687 11.597 1.00 0.00 C ATOM 499 CE LYS A 29 3.073 9.052 13.021 1.00 0.00 C ATOM 500 NZ LYS A 29 3.224 10.509 13.283 1.00 0.00 N ATOM 0 H LYS A 29 4.194 6.671 7.706 1.00 0.00 H new ATOM 0 HA LYS A 29 3.009 5.827 10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.604 8.264 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.915 8.122 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.528 9.017 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.780 7.384 11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.220 7.904 11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.910 9.552 11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.040 8.756 13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.692 8.491 13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.949 10.716 14.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.215 10.787 13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.614 11.044 12.632 1.00 0.00 H new ATOM 514 N VAL A 30 1.512 5.516 7.354 1.00 0.00 N ATOM 515 CA VAL A 30 0.349 4.947 6.681 1.00 0.00 C ATOM 516 C VAL A 30 0.189 3.466 7.008 1.00 0.00 C ATOM 517 O VAL A 30 -0.912 2.921 6.931 1.00 0.00 O ATOM 518 CB VAL A 30 0.447 5.117 5.152 1.00 0.00 C ATOM 519 CG1 VAL A 30 -0.842 4.669 4.477 1.00 0.00 C ATOM 520 CG2 VAL A 30 0.775 6.560 4.794 1.00 0.00 C ATOM 0 H VAL A 30 2.269 5.791 6.728 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.523 5.490 7.046 1.00 0.00 H new ATOM 0 HB VAL A 30 1.256 4.484 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.752 4.797 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.025 3.619 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.673 5.270 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.840 6.660 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.009 7.216 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.729 6.838 5.242 1.00 0.00 H new ATOM 530 N VAL A 31 1.293 2.817 7.373 1.00 0.00 N ATOM 531 CA VAL A 31 1.273 1.396 7.709 1.00 0.00 C ATOM 532 C VAL A 31 0.139 1.069 8.676 1.00 0.00 C ATOM 533 O VAL A 31 -0.508 0.029 8.561 1.00 0.00 O ATOM 534 CB VAL A 31 2.609 0.946 8.331 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.744 1.115 7.333 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.893 1.721 9.609 1.00 0.00 C ATOM 0 H VAL A 31 2.212 3.253 7.443 1.00 0.00 H new ATOM 0 HA VAL A 31 1.114 0.856 6.775 1.00 0.00 H new ATOM 0 HB VAL A 31 2.533 -0.111 8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.680 0.793 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.544 0.510 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.823 2.163 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.841 1.389 10.033 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.950 2.786 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.092 1.544 10.327 1.00 0.00 H new ATOM 546 N GLY A 32 -0.097 1.965 9.629 1.00 0.00 N ATOM 547 CA GLY A 32 -1.154 1.754 10.600 1.00 0.00 C ATOM 548 C GLY A 32 -2.519 1.635 9.953 1.00 0.00 C ATOM 549 O GLY A 32 -3.411 0.977 10.485 1.00 0.00 O ATOM 0 H GLY A 32 0.425 2.833 9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.945 0.848 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.162 2.582 11.309 1.00 0.00 H new ATOM 553 N ASN A 33 -2.681 2.272 8.797 1.00 0.00 N ATOM 554 CA ASN A 33 -3.946 2.234 8.073 1.00 0.00 C ATOM 555 C ASN A 33 -3.987 1.061 7.097 1.00 0.00 C ATOM 556 O ASN A 33 -5.062 0.608 6.705 1.00 0.00 O ATOM 557 CB ASN A 33 -4.164 3.547 7.318 1.00 0.00 C ATOM 558 CG ASN A 33 -4.565 4.683 8.240 1.00 0.00 C ATOM 559 OD1 ASN A 33 -4.079 4.786 9.365 1.00 0.00 O ATOM 560 ND2 ASN A 33 -5.458 5.544 7.764 1.00 0.00 N ATOM 0 H ASN A 33 -1.951 2.821 8.342 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.746 2.101 8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.249 3.816 6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.937 3.405 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.766 6.329 8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.835 5.420 6.824 1.00 0.00 H new ATOM 567 N LEU A 34 -2.814 0.573 6.707 1.00 0.00 N ATOM 568 CA LEU A 34 -2.723 -0.548 5.778 1.00 0.00 C ATOM 569 C LEU A 34 -3.204 -1.839 6.433 1.00 0.00 C ATOM 570 O LEU A 34 -3.773 -2.708 5.772 1.00 0.00 O ATOM 571 CB LEU A 34 -1.284 -0.716 5.287 1.00 0.00 C ATOM 572 CG LEU A 34 -0.655 0.538 4.676 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.735 0.230 4.142 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.541 1.096 3.573 1.00 0.00 C ATOM 0 H LEU A 34 -1.913 0.936 7.020 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.367 -0.333 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.667 -1.042 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.261 -1.514 4.544 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.563 1.293 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.168 1.133 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.368 -0.122 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.667 -0.542 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.078 1.987 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.665 0.346 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.516 1.355 3.986 1.00 0.00 H new ATOM 586 N ALA A 35 -2.970 -1.957 7.737 1.00 0.00 N ATOM 587 CA ALA A 35 -3.377 -3.142 8.482 1.00 0.00 C ATOM 588 C ALA A 35 -4.881 -3.139 8.742 1.00 0.00 C ATOM 589 O ALA A 35 -5.515 -4.193 8.783 1.00 0.00 O ATOM 590 CB ALA A 35 -2.614 -3.228 9.794 1.00 0.00 C ATOM 0 H ALA A 35 -2.501 -1.246 8.298 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.141 -4.018 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.928 -4.118 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.545 -3.286 9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.821 -2.342 10.394 1.00 0.00 H new ATOM 596 N THR A 36 -5.443 -1.948 8.917 1.00 0.00 N ATOM 597 CA THR A 36 -6.873 -1.809 9.174 1.00 0.00 C ATOM 598 C THR A 36 -7.652 -1.699 7.868 1.00 0.00 C ATOM 599 O THR A 36 -8.676 -2.361 7.688 1.00 0.00 O ATOM 600 CB THR A 36 -7.139 -0.580 10.044 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.914 0.611 9.311 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.270 -0.524 11.283 1.00 0.00 C ATOM 0 H THR A 36 -4.932 -1.066 8.886 1.00 0.00 H new ATOM 0 HA THR A 36 -7.210 -2.700 9.703 1.00 0.00 H new ATOM 0 HB THR A 36 -8.181 -0.665 10.352 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.470 1.269 9.885 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.510 0.372 11.855 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.454 -1.406 11.896 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.220 -0.498 10.990 1.00 0.00 H new ATOM 610 N GLU A 37 -7.162 -0.862 6.960 1.00 0.00 N ATOM 611 CA GLU A 37 -7.813 -0.666 5.668 1.00 0.00 C ATOM 612 C GLU A 37 -9.218 -0.099 5.848 1.00 0.00 C ATOM 613 O GLU A 37 -10.197 -0.672 5.369 1.00 0.00 O ATOM 614 CB GLU A 37 -7.874 -1.989 4.901 1.00 0.00 C ATOM 615 CG GLU A 37 -6.515 -2.641 4.702 1.00 0.00 C ATOM 616 CD GLU A 37 -6.620 -4.048 4.147 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.639 -4.354 3.493 1.00 0.00 O ATOM 618 OE2 GLU A 37 -5.680 -4.843 4.363 1.00 0.00 O ATOM 0 H GLU A 37 -6.316 -0.308 7.094 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.225 0.050 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.524 -2.680 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.330 -1.814 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.919 -2.030 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.986 -2.669 5.655 1.00 0.00 H new ATOM 625 N GLN A 38 -9.310 1.031 6.541 1.00 0.00 N ATOM 626 CA GLN A 38 -10.598 1.675 6.786 1.00 0.00 C ATOM 627 C GLN A 38 -10.896 2.736 5.728 1.00 0.00 C ATOM 628 O GLN A 38 -11.956 2.716 5.102 1.00 0.00 O ATOM 629 CB GLN A 38 -10.639 2.306 8.185 1.00 0.00 C ATOM 630 CG GLN A 38 -9.555 1.800 9.127 1.00 0.00 C ATOM 631 CD GLN A 38 -9.929 1.966 10.586 1.00 0.00 C ATOM 632 OE1 GLN A 38 -11.066 2.309 10.913 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.972 1.721 11.474 1.00 0.00 N ATOM 0 H GLN A 38 -8.510 1.520 6.943 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.365 0.903 6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.544 3.387 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.614 2.110 8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.363 0.747 8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.627 2.337 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.044 1.439 11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.165 1.815 12.471 1.00 0.00 H new ATOM 642 N PRO A 39 -9.965 3.685 5.512 1.00 0.00 N ATOM 643 CA PRO A 39 -10.144 4.749 4.531 1.00 0.00 C ATOM 644 C PRO A 39 -9.739 4.320 3.117 1.00 0.00 C ATOM 645 O PRO A 39 -10.571 3.829 2.354 1.00 0.00 O ATOM 646 CB PRO A 39 -9.238 5.861 5.062 1.00 0.00 C ATOM 647 CG PRO A 39 -8.162 5.168 5.839 1.00 0.00 C ATOM 648 CD PRO A 39 -8.672 3.796 6.209 1.00 0.00 C ATOM 0 HA PRO A 39 -11.187 5.050 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.816 6.446 4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.795 6.552 5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.252 5.090 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.911 5.737 6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.981 3.016 5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.792 3.694 7.288 1.00 0.00 H new ATOM 656 N LEU A 40 -8.466 4.503 2.768 1.00 0.00 N ATOM 657 CA LEU A 40 -7.975 4.128 1.446 1.00 0.00 C ATOM 658 C LEU A 40 -8.790 4.801 0.345 1.00 0.00 C ATOM 659 O LEU A 40 -9.032 4.215 -0.710 1.00 0.00 O ATOM 660 CB LEU A 40 -8.021 2.609 1.273 1.00 0.00 C ATOM 661 CG LEU A 40 -7.683 1.801 2.530 1.00 0.00 C ATOM 662 CD1 LEU A 40 -8.908 1.049 3.028 1.00 0.00 C ATOM 663 CD2 LEU A 40 -6.538 0.836 2.257 1.00 0.00 C ATOM 0 H LEU A 40 -7.759 4.908 3.382 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.942 4.467 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.019 2.327 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.326 2.328 0.482 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.367 2.496 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.648 0.481 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.699 1.760 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.256 0.366 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.314 0.272 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.824 0.147 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.655 1.397 1.951 1.00 0.00 H new ATOM 675 N ALA A 41 -9.213 6.036 0.600 1.00 0.00 N ATOM 676 CA ALA A 41 -10.000 6.787 -0.369 1.00 0.00 C ATOM 677 C ALA A 41 -11.307 6.064 -0.694 1.00 0.00 C ATOM 678 O ALA A 41 -11.299 5.024 -1.355 1.00 0.00 O ATOM 679 CB ALA A 41 -9.193 7.015 -1.639 1.00 0.00 C ATOM 0 H ALA A 41 -9.024 6.536 1.469 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.248 7.753 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.792 7.577 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.290 7.578 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.917 6.054 -2.072 1.00 0.00 H new ATOM 685 N PRO A 42 -12.452 6.604 -0.239 1.00 0.00 N ATOM 686 CA PRO A 42 -13.763 5.996 -0.494 1.00 0.00 C ATOM 687 C PRO A 42 -14.156 6.058 -1.965 1.00 0.00 C ATOM 688 O PRO A 42 -14.932 5.231 -2.445 1.00 0.00 O ATOM 689 CB PRO A 42 -14.722 6.839 0.352 1.00 0.00 C ATOM 690 CG PRO A 42 -14.034 8.150 0.512 1.00 0.00 C ATOM 691 CD PRO A 42 -12.564 7.842 0.555 1.00 0.00 C ATOM 0 HA PRO A 42 -13.773 4.936 -0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.687 6.956 -0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.913 6.372 1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.269 8.818 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.355 8.650 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.971 8.650 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.213 7.697 1.577 1.00 0.00 H new ATOM 699 N LYS A 43 -13.616 7.042 -2.677 1.00 0.00 N ATOM 700 CA LYS A 43 -13.911 7.210 -4.094 1.00 0.00 C ATOM 701 C LYS A 43 -13.348 6.051 -4.911 1.00 0.00 C ATOM 702 O LYS A 43 -13.909 5.674 -5.940 1.00 0.00 O ATOM 703 CB LYS A 43 -13.332 8.532 -4.602 1.00 0.00 C ATOM 704 CG LYS A 43 -11.832 8.662 -4.393 1.00 0.00 C ATOM 705 CD LYS A 43 -11.461 10.018 -3.819 1.00 0.00 C ATOM 706 CE LYS A 43 -9.988 10.085 -3.451 1.00 0.00 C ATOM 707 NZ LYS A 43 -9.742 11.002 -2.305 1.00 0.00 N ATOM 0 H LYS A 43 -12.972 7.735 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.994 7.222 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.552 8.630 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.833 9.357 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.489 7.876 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.318 8.516 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.691 10.797 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.067 10.218 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.631 9.086 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.413 10.421 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.817 10.787 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.748 11.986 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.488 10.875 -1.592 1.00 0.00 H new ATOM 721 N TYR A 44 -12.238 5.490 -4.446 1.00 0.00 N ATOM 722 CA TYR A 44 -11.600 4.373 -5.133 1.00 0.00 C ATOM 723 C TYR A 44 -11.880 3.058 -4.412 1.00 0.00 C ATOM 724 O TYR A 44 -12.106 2.028 -5.049 1.00 0.00 O ATOM 725 CB TYR A 44 -10.091 4.603 -5.230 1.00 0.00 C ATOM 726 CG TYR A 44 -9.719 5.995 -5.689 1.00 0.00 C ATOM 727 CD1 TYR A 44 -10.189 6.500 -6.895 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.898 6.807 -4.916 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.853 7.771 -7.318 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.557 8.080 -5.330 1.00 0.00 C ATOM 731 CZ TYR A 44 -9.036 8.558 -6.532 1.00 0.00 C ATOM 732 OH TYR A 44 -8.698 9.824 -6.949 1.00 0.00 O ATOM 0 H TYR A 44 -11.761 5.790 -3.596 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.017 4.311 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.640 4.419 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.665 3.876 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.829 5.887 -7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.520 6.436 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.227 8.147 -8.259 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.919 8.698 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.766 10.010 -6.709 1.00 0.00 H new ATOM 742 N LYS A 45 -11.864 3.100 -3.085 1.00 0.00 N ATOM 743 CA LYS A 45 -12.116 1.912 -2.277 1.00 0.00 C ATOM 744 C LYS A 45 -11.038 0.857 -2.510 1.00 0.00 C ATOM 745 O LYS A 45 -10.753 0.488 -3.649 1.00 0.00 O ATOM 746 CB LYS A 45 -13.498 1.333 -2.598 1.00 0.00 C ATOM 747 CG LYS A 45 -14.550 1.659 -1.552 1.00 0.00 C ATOM 748 CD LYS A 45 -15.859 2.094 -2.192 1.00 0.00 C ATOM 749 CE LYS A 45 -16.912 2.414 -1.143 1.00 0.00 C ATOM 750 NZ LYS A 45 -17.441 1.184 -0.493 1.00 0.00 N ATOM 0 H LYS A 45 -11.679 3.945 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.090 2.204 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.827 1.715 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.416 0.250 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.724 0.785 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.182 2.451 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.687 2.971 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.225 1.304 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.482 3.069 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.733 2.961 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.192 1.442 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.829 0.547 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.672 0.702 0.015 1.00 0.00 H new ATOM 764 N ASP A 46 -10.443 0.378 -1.423 1.00 0.00 N ATOM 765 CA ASP A 46 -9.396 -0.635 -1.507 1.00 0.00 C ATOM 766 C ASP A 46 -9.925 -1.917 -2.141 1.00 0.00 C ATOM 767 O ASP A 46 -11.089 -2.276 -1.961 1.00 0.00 O ATOM 768 CB ASP A 46 -8.832 -0.934 -0.118 1.00 0.00 C ATOM 769 CG ASP A 46 -9.896 -1.427 0.844 1.00 0.00 C ATOM 770 OD1 ASP A 46 -10.898 -0.707 1.041 1.00 0.00 O ATOM 771 OD2 ASP A 46 -9.728 -2.534 1.397 1.00 0.00 O ATOM 0 H ASP A 46 -10.667 0.675 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.599 -0.243 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.046 -1.684 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.371 -0.033 0.286 1.00 0.00 H new ATOM 776 N HIS A 47 -9.063 -2.605 -2.881 1.00 0.00 N ATOM 777 CA HIS A 47 -9.440 -3.849 -3.540 1.00 0.00 C ATOM 778 C HIS A 47 -8.203 -4.671 -3.897 1.00 0.00 C ATOM 779 O HIS A 47 -7.130 -4.117 -4.138 1.00 0.00 O ATOM 780 CB HIS A 47 -10.257 -3.557 -4.800 1.00 0.00 C ATOM 781 CG HIS A 47 -11.737 -3.641 -4.588 1.00 0.00 C ATOM 782 ND1 HIS A 47 -12.513 -2.548 -4.261 1.00 0.00 N ATOM 783 CD2 HIS A 47 -12.584 -4.695 -4.657 1.00 0.00 C ATOM 784 CE1 HIS A 47 -13.773 -2.928 -4.138 1.00 0.00 C ATOM 785 NE2 HIS A 47 -13.842 -4.225 -4.372 1.00 0.00 N ATOM 0 H HIS A 47 -8.096 -2.321 -3.040 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.051 -4.428 -2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.006 -2.560 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -9.970 -4.261 -5.581 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.319 -5.715 -4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.605 -2.286 -3.888 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.693 -4.787 -4.345 1.00 0.00 H new ATOM 794 N PRO A 48 -8.337 -6.008 -3.934 1.00 0.00 N ATOM 795 CA PRO A 48 -7.222 -6.903 -4.261 1.00 0.00 C ATOM 796 C PRO A 48 -6.652 -6.637 -5.655 1.00 0.00 C ATOM 797 O PRO A 48 -5.612 -5.994 -5.795 1.00 0.00 O ATOM 798 CB PRO A 48 -7.840 -8.306 -4.183 1.00 0.00 C ATOM 799 CG PRO A 48 -9.314 -8.093 -4.276 1.00 0.00 C ATOM 800 CD PRO A 48 -9.576 -6.749 -3.659 1.00 0.00 C ATOM 0 HA PRO A 48 -6.381 -6.765 -3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.482 -8.939 -4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.572 -8.802 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.647 -8.118 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.856 -8.877 -3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.444 -6.263 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.770 -6.828 -2.589 1.00 0.00 H new ATOM 808 N LEU A 49 -7.336 -7.132 -6.682 1.00 0.00 N ATOM 809 CA LEU A 49 -6.889 -6.943 -8.056 1.00 0.00 C ATOM 810 C LEU A 49 -7.983 -7.338 -9.044 1.00 0.00 C ATOM 811 O LEU A 49 -8.617 -6.482 -9.660 1.00 0.00 O ATOM 812 CB LEU A 49 -5.625 -7.765 -8.322 1.00 0.00 C ATOM 813 CG LEU A 49 -4.306 -7.036 -8.046 1.00 0.00 C ATOM 814 CD1 LEU A 49 -3.543 -7.715 -6.918 1.00 0.00 C ATOM 815 CD2 LEU A 49 -3.453 -6.976 -9.306 1.00 0.00 C ATOM 0 H LEU A 49 -8.200 -7.666 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.663 -5.886 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.660 -8.665 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.633 -8.088 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.538 -6.016 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.609 -7.182 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.148 -7.704 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.324 -8.746 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.521 -6.455 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.233 -7.988 -9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.995 -6.442 -10.087 1.00 0.00 H new ATOM 827 N LYS A 50 -8.198 -8.642 -9.188 1.00 0.00 N ATOM 828 CA LYS A 50 -9.215 -9.152 -10.100 1.00 0.00 C ATOM 829 C LYS A 50 -9.650 -10.559 -9.698 1.00 0.00 C ATOM 830 O LYS A 50 -8.862 -11.503 -9.753 1.00 0.00 O ATOM 831 CB LYS A 50 -8.685 -9.160 -11.535 1.00 0.00 C ATOM 832 CG LYS A 50 -9.110 -7.948 -12.347 1.00 0.00 C ATOM 833 CD LYS A 50 -8.760 -8.111 -13.818 1.00 0.00 C ATOM 834 CE LYS A 50 -9.840 -7.529 -14.716 1.00 0.00 C ATOM 835 NZ LYS A 50 -10.909 -8.522 -15.014 1.00 0.00 N ATOM 0 H LYS A 50 -7.682 -9.364 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.081 -8.493 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.596 -9.207 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.032 -10.063 -12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.184 -7.797 -12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.623 -7.056 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.810 -7.618 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.627 -9.168 -14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.280 -6.655 -14.235 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.391 -7.188 -15.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.626 -8.086 -15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.494 -9.345 -15.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.355 -8.829 -14.126 1.00 0.00 H new ATOM 849 N GLY A 51 -10.908 -10.690 -9.292 1.00 0.00 N ATOM 850 CA GLY A 51 -11.425 -11.984 -8.887 1.00 0.00 C ATOM 851 C GLY A 51 -10.739 -12.521 -7.646 1.00 0.00 C ATOM 852 O GLY A 51 -10.819 -11.920 -6.575 1.00 0.00 O ATOM 0 H GLY A 51 -11.579 -9.924 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.496 -11.901 -8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.298 -12.694 -9.704 1.00 0.00 H new ATOM 856 N GLY A 52 -10.062 -13.655 -7.791 1.00 0.00 N ATOM 857 CA GLY A 52 -9.369 -14.254 -6.666 1.00 0.00 C ATOM 858 C GLY A 52 -8.155 -13.452 -6.239 1.00 0.00 C ATOM 859 O GLY A 52 -8.189 -12.221 -6.225 1.00 0.00 O ATOM 0 H GLY A 52 -9.981 -14.170 -8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.057 -14.342 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.058 -15.265 -6.931 1.00 0.00 H new ATOM 863 N LEU A 53 -7.081 -14.150 -5.888 1.00 0.00 N ATOM 864 CA LEU A 53 -5.850 -13.496 -5.457 1.00 0.00 C ATOM 865 C LEU A 53 -6.092 -12.653 -4.210 1.00 0.00 C ATOM 866 O LEU A 53 -6.623 -11.546 -4.290 1.00 0.00 O ATOM 867 CB LEU A 53 -5.295 -12.618 -6.581 1.00 0.00 C ATOM 868 CG LEU A 53 -5.364 -13.235 -7.979 1.00 0.00 C ATOM 869 CD1 LEU A 53 -4.804 -12.270 -9.014 1.00 0.00 C ATOM 870 CD2 LEU A 53 -4.609 -14.555 -8.016 1.00 0.00 C ATOM 0 H LEU A 53 -7.037 -15.169 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.121 -14.269 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.842 -11.676 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.255 -12.381 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.409 -13.430 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.860 -12.724 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.386 -11.348 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.764 -12.045 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.668 -14.980 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.564 -14.384 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.052 -15.248 -7.301 1.00 0.00 H new ATOM 882 N LYS A 54 -5.699 -13.185 -3.057 1.00 0.00 N ATOM 883 CA LYS A 54 -5.873 -12.482 -1.791 1.00 0.00 C ATOM 884 C LYS A 54 -4.533 -12.006 -1.236 1.00 0.00 C ATOM 885 O LYS A 54 -4.481 -11.069 -0.437 1.00 0.00 O ATOM 886 CB LYS A 54 -6.565 -13.388 -0.771 1.00 0.00 C ATOM 887 CG LYS A 54 -8.079 -13.417 -0.913 1.00 0.00 C ATOM 888 CD LYS A 54 -8.764 -13.497 0.443 1.00 0.00 C ATOM 889 CE LYS A 54 -10.002 -12.617 0.493 1.00 0.00 C ATOM 890 NZ LYS A 54 -11.145 -13.219 -0.249 1.00 0.00 N ATOM 0 H LYS A 54 -5.258 -14.101 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.497 -11.608 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.179 -14.402 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.309 -13.052 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.414 -12.523 -1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.372 -14.273 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.042 -14.530 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.067 -13.191 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.289 -12.454 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.769 -11.640 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.969 -12.587 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.881 -13.351 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.385 -14.140 0.170 1.00 0.00 H new ATOM 904 N ASP A 55 -3.451 -12.651 -1.662 1.00 0.00 N ATOM 905 CA ASP A 55 -2.115 -12.288 -1.204 1.00 0.00 C ATOM 906 C ASP A 55 -1.674 -10.965 -1.819 1.00 0.00 C ATOM 907 O ASP A 55 -0.949 -10.188 -1.197 1.00 0.00 O ATOM 908 CB ASP A 55 -1.113 -13.390 -1.557 1.00 0.00 C ATOM 909 CG ASP A 55 -0.913 -14.374 -0.422 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.728 -15.312 -0.298 1.00 0.00 O ATOM 911 OD2 ASP A 55 0.062 -14.208 0.344 1.00 0.00 O ATOM 0 H ASP A 55 -3.474 -13.427 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.147 -12.173 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.461 -13.925 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.155 -12.938 -1.815 1.00 0.00 H new ATOM 916 N PHE A 56 -2.118 -10.715 -3.046 1.00 0.00 N ATOM 917 CA PHE A 56 -1.773 -9.486 -3.750 1.00 0.00 C ATOM 918 C PHE A 56 -2.961 -8.528 -3.780 1.00 0.00 C ATOM 919 O PHE A 56 -4.011 -8.845 -4.338 1.00 0.00 O ATOM 920 CB PHE A 56 -1.322 -9.803 -5.178 1.00 0.00 C ATOM 921 CG PHE A 56 0.138 -10.137 -5.284 1.00 0.00 C ATOM 922 CD1 PHE A 56 1.081 -9.135 -5.439 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.567 -11.454 -5.230 1.00 0.00 C ATOM 924 CE1 PHE A 56 2.427 -9.439 -5.539 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.910 -11.764 -5.329 1.00 0.00 C ATOM 926 CZ PHE A 56 2.840 -10.756 -5.483 1.00 0.00 C ATOM 0 H PHE A 56 -2.718 -11.348 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.954 -9.005 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.907 -10.641 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.538 -8.947 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.762 -8.104 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.156 -12.247 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.153 -8.649 -5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.232 -12.794 -5.286 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.890 -10.997 -5.560 1.00 0.00 H new ATOM 936 N ARG A 57 -2.787 -7.358 -3.174 1.00 0.00 N ATOM 937 CA ARG A 57 -3.848 -6.358 -3.131 1.00 0.00 C ATOM 938 C ARG A 57 -3.279 -4.951 -3.270 1.00 0.00 C ATOM 939 O ARG A 57 -2.115 -4.705 -2.948 1.00 0.00 O ATOM 940 CB ARG A 57 -4.635 -6.476 -1.825 1.00 0.00 C ATOM 941 CG ARG A 57 -4.959 -7.911 -1.437 1.00 0.00 C ATOM 942 CD ARG A 57 -5.839 -7.967 -0.199 1.00 0.00 C ATOM 943 NE ARG A 57 -7.260 -7.996 -0.537 1.00 0.00 N ATOM 944 CZ ARG A 57 -8.230 -8.195 0.352 1.00 0.00 C ATOM 945 NH1 ARG A 57 -7.939 -8.382 1.632 1.00 0.00 N ATOM 946 NH2 ARG A 57 -9.497 -8.205 -0.042 1.00 0.00 N ATOM 0 H ARG A 57 -1.924 -7.079 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.519 -6.542 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.062 -6.012 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.565 -5.915 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.463 -8.408 -2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.034 -8.457 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.587 -8.852 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.634 -7.101 0.431 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.524 -7.855 -1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.967 -8.374 1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.687 -8.534 2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.726 -8.060 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.241 -8.357 0.638 1.00 0.00 H new ATOM 960 N GLU A 58 -4.106 -4.028 -3.751 1.00 0.00 N ATOM 961 CA GLU A 58 -3.687 -2.643 -3.933 1.00 0.00 C ATOM 962 C GLU A 58 -4.691 -1.685 -3.301 1.00 0.00 C ATOM 963 O GLU A 58 -5.899 -1.919 -3.343 1.00 0.00 O ATOM 964 CB GLU A 58 -3.530 -2.327 -5.422 1.00 0.00 C ATOM 965 CG GLU A 58 -3.078 -0.901 -5.697 1.00 0.00 C ATOM 966 CD GLU A 58 -4.029 -0.152 -6.609 1.00 0.00 C ATOM 967 OE1 GLU A 58 -5.237 -0.102 -6.294 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.567 0.387 -7.636 1.00 0.00 O ATOM 0 H GLU A 58 -5.071 -4.215 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.725 -2.512 -3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.809 -3.018 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.482 -2.501 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.988 -0.364 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.086 -0.919 -6.149 1.00 0.00 H new ATOM 975 N CYS A 59 -4.183 -0.603 -2.719 1.00 0.00 N ATOM 976 CA CYS A 59 -5.035 0.392 -2.079 1.00 0.00 C ATOM 977 C CYS A 59 -4.607 1.804 -2.468 1.00 0.00 C ATOM 978 O CYS A 59 -3.628 1.991 -3.188 1.00 0.00 O ATOM 979 CB CYS A 59 -4.988 0.232 -0.558 1.00 0.00 C ATOM 980 SG CYS A 59 -5.216 -1.469 0.011 1.00 0.00 S ATOM 0 H CYS A 59 -3.186 -0.393 -2.678 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.058 0.234 -2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.029 0.600 -0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.760 0.860 -0.113 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.078 -1.946 0.419 1.00 0.00 H new ATOM 986 N HIS A 60 -5.348 2.794 -1.984 1.00 0.00 N ATOM 987 CA HIS A 60 -5.046 4.189 -2.280 1.00 0.00 C ATOM 988 C HIS A 60 -5.013 5.023 -1.003 1.00 0.00 C ATOM 989 O HIS A 60 -5.998 5.666 -0.644 1.00 0.00 O ATOM 990 CB HIS A 60 -6.083 4.764 -3.249 1.00 0.00 C ATOM 991 CG HIS A 60 -6.379 3.867 -4.410 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.833 4.052 -5.662 1.00 0.00 N ATOM 993 CD2 HIS A 60 -7.168 2.770 -4.504 1.00 0.00 C ATOM 994 CE1 HIS A 60 -6.276 3.110 -6.477 1.00 0.00 C ATOM 995 NE2 HIS A 60 -7.085 2.319 -5.798 1.00 0.00 N ATOM 0 H HIS A 60 -6.162 2.656 -1.385 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.061 4.229 -2.745 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.008 4.958 -2.705 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.726 5.723 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.753 2.332 -3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.019 3.006 -7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.570 1.504 -6.174 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.872 5.006 -0.321 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.709 5.761 0.916 1.00 0.00 C ATOM 1006 C LEU A 61 -4.015 7.240 0.696 1.00 0.00 C ATOM 1007 O LEU A 61 -4.552 7.911 1.578 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.287 5.597 1.458 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.172 6.039 0.506 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.022 6.660 1.281 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.683 4.861 -0.323 1.00 0.00 C ATOM 0 H LEU A 61 -3.047 4.478 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.415 5.367 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.200 6.167 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.131 4.549 1.713 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.575 6.793 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.760 6.968 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.382 7.530 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.381 5.929 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.109 5.192 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.297 4.086 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.510 4.460 -0.908 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.672 7.739 -0.487 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.914 9.138 -0.826 1.00 0.00 C ATOM 1025 C LYS A 62 -4.868 9.248 -2.014 1.00 0.00 C ATOM 1026 O LYS A 62 -5.089 8.275 -2.735 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.593 9.837 -1.147 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.913 10.441 0.072 1.00 0.00 C ATOM 1029 CD LYS A 62 -2.073 11.951 0.113 1.00 0.00 C ATOM 1030 CE LYS A 62 -1.053 12.596 1.038 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.282 14.060 1.185 1.00 0.00 N ATOM 0 H LYS A 62 -3.226 7.197 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.375 9.626 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.916 9.121 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.776 10.624 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.335 10.005 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.853 10.187 0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.961 12.357 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.079 12.202 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.101 12.121 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.050 12.423 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.566 14.461 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.211 14.518 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.229 14.225 1.581 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.450 10.441 -2.236 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.385 10.672 -3.343 1.00 0.00 C ATOM 1047 C PRO A 63 -5.775 10.339 -4.700 1.00 0.00 C ATOM 1048 O PRO A 63 -6.491 10.130 -5.680 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.707 12.170 -3.250 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.648 12.749 -2.374 1.00 0.00 C ATOM 1051 CD PRO A 63 -5.248 11.654 -1.430 1.00 0.00 C ATOM 0 HA PRO A 63 -7.265 10.034 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.699 12.635 -4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.699 12.333 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.796 13.087 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.023 13.616 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.212 11.757 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.864 11.650 -0.531 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.451 10.288 -4.750 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.741 9.978 -5.987 1.00 0.00 C ATOM 1061 C ASP A 64 -2.436 9.246 -5.691 1.00 0.00 C ATOM 1062 O ASP A 64 -1.357 9.834 -5.753 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.458 11.259 -6.774 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.415 11.446 -7.934 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -5.508 10.843 -7.907 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.069 12.195 -8.874 1.00 0.00 O ATOM 0 H ASP A 64 -3.844 10.457 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.374 9.327 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.530 12.117 -6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.435 11.233 -7.150 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.542 7.962 -5.366 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.368 7.156 -5.060 1.00 0.00 C ATOM 1073 C LEU A 65 -1.748 5.697 -4.826 1.00 0.00 C ATOM 1074 O LEU A 65 -2.548 5.386 -3.944 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.657 7.712 -3.822 1.00 0.00 C ATOM 1076 CG LEU A 65 0.620 8.503 -4.108 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.682 9.746 -3.232 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.849 7.632 -3.889 1.00 0.00 C ATOM 0 H LEU A 65 -3.427 7.459 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.695 7.202 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.351 8.356 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.411 6.882 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 65 0.605 8.817 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.597 10.298 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.181 10.379 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.675 9.452 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.748 8.212 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.871 7.287 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.809 6.772 -4.557 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.160 4.803 -5.614 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.429 3.376 -5.484 1.00 0.00 C ATOM 1092 C LEU A 66 -0.452 2.744 -4.501 1.00 0.00 C ATOM 1093 O LEU A 66 0.634 3.275 -4.269 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.328 2.671 -6.842 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.502 3.571 -8.070 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.153 3.878 -8.703 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.430 2.918 -9.085 1.00 0.00 C ATOM 0 H LEU A 66 -0.494 5.042 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.445 3.257 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.355 2.183 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.082 1.885 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.952 4.509 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.297 4.518 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.481 4.388 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.324 2.948 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.541 3.572 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.008 1.965 -9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.406 2.749 -8.630 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.836 1.613 -3.926 1.00 0.00 N ATOM 1110 CA LEU A 67 0.021 0.923 -2.972 1.00 0.00 C ATOM 1111 C LEU A 67 -0.267 -0.573 -2.947 1.00 0.00 C ATOM 1112 O LEU A 67 -1.203 -1.026 -2.287 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.153 1.509 -1.571 1.00 0.00 C ATOM 1114 CG LEU A 67 0.971 1.174 -0.587 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.871 2.042 0.658 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.936 -0.299 -0.219 1.00 0.00 C ATOM 0 H LEU A 67 -1.731 1.156 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 67 1.052 1.067 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.232 2.593 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.096 1.151 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 67 1.925 1.383 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.679 1.788 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.950 3.092 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.088 1.869 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.742 -0.518 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.022 -0.536 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.062 -0.902 -1.118 1.00 0.00 H new ATOM 1128 N VAL A 68 0.550 -1.335 -3.662 1.00 0.00 N ATOM 1129 CA VAL A 68 0.397 -2.781 -3.713 1.00 0.00 C ATOM 1130 C VAL A 68 1.285 -3.443 -2.668 1.00 0.00 C ATOM 1131 O VAL A 68 2.455 -3.090 -2.526 1.00 0.00 O ATOM 1132 CB VAL A 68 0.751 -3.339 -5.105 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.449 -4.829 -5.179 1.00 0.00 C ATOM 1134 CG2 VAL A 68 0.001 -2.583 -6.193 1.00 0.00 C ATOM 0 H VAL A 68 1.327 -0.974 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.649 -3.005 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 68 1.820 -3.199 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.706 -5.204 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.036 -5.357 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.612 -4.995 -4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.265 -2.992 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.072 -2.687 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.273 -1.528 -6.157 1.00 0.00 H new ATOM 1144 N TYR A 69 0.730 -4.397 -1.931 1.00 0.00 N ATOM 1145 CA TYR A 69 1.490 -5.091 -0.899 1.00 0.00 C ATOM 1146 C TYR A 69 1.055 -6.546 -0.775 1.00 0.00 C ATOM 1147 O TYR A 69 -0.053 -6.912 -1.167 1.00 0.00 O ATOM 1148 CB TYR A 69 1.330 -4.380 0.447 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.101 -4.290 0.931 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -0.811 -5.431 1.284 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.738 -3.061 1.039 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.117 -5.350 1.728 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.044 -2.971 1.483 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.728 -4.118 1.827 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.029 -4.033 2.270 1.00 0.00 O ATOM 0 H TYR A 69 -0.237 -4.706 -2.027 1.00 0.00 H new ATOM 0 HA TYR A 69 2.540 -5.075 -1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.923 -4.905 1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.739 -3.373 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.334 -6.397 1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.204 -2.161 0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.656 -6.247 1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.526 -2.008 1.560 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.119 -4.518 3.117 1.00 0.00 H new ATOM 1165 N GLN A 70 1.938 -7.369 -0.220 1.00 0.00 N ATOM 1166 CA GLN A 70 1.654 -8.788 -0.034 1.00 0.00 C ATOM 1167 C GLN A 70 2.077 -9.243 1.360 1.00 0.00 C ATOM 1168 O GLN A 70 3.268 -9.331 1.660 1.00 0.00 O ATOM 1169 CB GLN A 70 2.376 -9.617 -1.098 1.00 0.00 C ATOM 1170 CG GLN A 70 1.996 -11.089 -1.083 1.00 0.00 C ATOM 1171 CD GLN A 70 2.985 -11.954 -1.839 1.00 0.00 C ATOM 1172 OE1 GLN A 70 4.049 -11.488 -2.247 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.637 -13.221 -2.030 1.00 0.00 N ATOM 0 H GLN A 70 2.858 -7.077 0.110 1.00 0.00 H new ATOM 0 HA GLN A 70 0.579 -8.939 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.154 -9.203 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.452 -9.526 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.932 -11.434 -0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.005 -11.209 -1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.745 -13.564 -1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.262 -13.851 -2.533 1.00 0.00 H new ATOM 1182 N ILE A 71 1.095 -9.528 2.208 1.00 0.00 N ATOM 1183 CA ILE A 71 1.368 -9.973 3.570 1.00 0.00 C ATOM 1184 C ILE A 71 1.602 -11.482 3.612 1.00 0.00 C ATOM 1185 O ILE A 71 0.933 -12.244 2.916 1.00 0.00 O ATOM 1186 CB ILE A 71 0.210 -9.602 4.528 1.00 0.00 C ATOM 1187 CG1 ILE A 71 0.176 -8.090 4.763 1.00 0.00 C ATOM 1188 CG2 ILE A 71 0.346 -10.335 5.857 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.011 -7.283 3.497 1.00 0.00 C ATOM 0 H ILE A 71 0.104 -9.459 1.977 1.00 0.00 H new ATOM 0 HA ILE A 71 2.271 -9.461 3.902 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.726 -9.909 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.633 -7.857 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.105 -7.785 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.480 -10.057 6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.325 -11.411 5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.290 -10.062 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.025 -6.221 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.811 -7.487 2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.954 -7.559 3.025 1.00 0.00 H new ATOM 1201 N LYS A 72 2.554 -11.901 4.437 1.00 0.00 N ATOM 1202 CA LYS A 72 2.880 -13.315 4.576 1.00 0.00 C ATOM 1203 C LYS A 72 2.571 -13.804 5.988 1.00 0.00 C ATOM 1204 O LYS A 72 3.317 -13.527 6.927 1.00 0.00 O ATOM 1205 CB LYS A 72 4.353 -13.556 4.247 1.00 0.00 C ATOM 1206 CG LYS A 72 5.301 -12.605 4.960 1.00 0.00 C ATOM 1207 CD LYS A 72 5.972 -11.648 3.987 1.00 0.00 C ATOM 1208 CE LYS A 72 7.436 -11.429 4.337 1.00 0.00 C ATOM 1209 NZ LYS A 72 8.333 -11.741 3.190 1.00 0.00 N ATOM 0 H LYS A 72 3.115 -11.280 5.021 1.00 0.00 H new ATOM 0 HA LYS A 72 2.265 -13.877 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.613 -14.581 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.497 -13.459 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.751 -12.036 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.062 -13.178 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.895 -12.044 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.448 -10.692 3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.585 -10.394 4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.704 -12.055 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.322 -11.579 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.210 -12.736 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.095 -11.126 2.386 1.00 0.00 H new ATOM 1223 N LYS A 73 1.466 -14.528 6.130 1.00 0.00 N ATOM 1224 CA LYS A 73 1.054 -15.053 7.426 1.00 0.00 C ATOM 1225 C LYS A 73 2.113 -15.983 8.013 1.00 0.00 C ATOM 1226 O LYS A 73 2.127 -16.236 9.217 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.278 -15.797 7.295 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.493 -14.911 7.523 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.781 -15.721 7.525 1.00 0.00 C ATOM 1230 CE LYS A 73 -3.571 -15.513 6.242 1.00 0.00 C ATOM 1231 NZ LYS A 73 -3.944 -14.085 6.045 1.00 0.00 N ATOM 0 H LYS A 73 0.839 -14.765 5.361 1.00 0.00 H new ATOM 0 HA LYS A 73 0.932 -14.208 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.342 -16.239 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.298 -16.619 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.390 -14.387 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.541 -14.150 6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.547 -16.779 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.392 -15.433 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.980 -15.854 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.473 -16.124 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.855 -14.030 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.026 -13.617 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.212 -13.610 5.480 1.00 0.00 H new ATOM 1245 N GLN A 74 2.999 -16.494 7.159 1.00 0.00 N ATOM 1246 CA GLN A 74 4.056 -17.396 7.604 1.00 0.00 C ATOM 1247 C GLN A 74 4.855 -16.784 8.753 1.00 0.00 C ATOM 1248 O GLN A 74 5.374 -17.499 9.609 1.00 0.00 O ATOM 1249 CB GLN A 74 4.987 -17.740 6.442 1.00 0.00 C ATOM 1250 CG GLN A 74 5.556 -16.521 5.734 1.00 0.00 C ATOM 1251 CD GLN A 74 7.067 -16.561 5.620 1.00 0.00 C ATOM 1252 OE1 GLN A 74 7.628 -16.305 4.555 1.00 0.00 O ATOM 1253 NE2 GLN A 74 7.735 -16.885 6.722 1.00 0.00 N ATOM 0 H GLN A 74 3.005 -16.298 6.158 1.00 0.00 H new ATOM 0 HA GLN A 74 3.586 -18.311 7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.810 -18.349 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.443 -18.348 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.123 -16.450 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.260 -15.622 6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.229 -17.090 7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.754 -16.929 6.706 1.00 0.00 H new ATOM 1262 N GLU A 75 4.950 -15.458 8.761 1.00 0.00 N ATOM 1263 CA GLU A 75 5.685 -14.754 9.807 1.00 0.00 C ATOM 1264 C GLU A 75 5.074 -13.383 10.089 1.00 0.00 C ATOM 1265 O GLU A 75 5.729 -12.509 10.656 1.00 0.00 O ATOM 1266 CB GLU A 75 7.154 -14.596 9.406 1.00 0.00 C ATOM 1267 CG GLU A 75 7.346 -14.157 7.965 1.00 0.00 C ATOM 1268 CD GLU A 75 8.788 -14.270 7.508 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.539 -15.070 8.104 1.00 0.00 O ATOM 1270 OE2 GLU A 75 9.166 -13.557 6.555 1.00 0.00 O ATOM 0 H GLU A 75 4.529 -14.851 8.058 1.00 0.00 H new ATOM 0 HA GLU A 75 5.621 -15.349 10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.626 -13.867 10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.668 -15.545 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.715 -14.765 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.014 -13.124 7.856 1.00 0.00 H new ATOM 1277 N ASN A 76 3.815 -13.200 9.695 1.00 0.00 N ATOM 1278 CA ASN A 76 3.116 -11.935 9.911 1.00 0.00 C ATOM 1279 C ASN A 76 3.982 -10.745 9.498 1.00 0.00 C ATOM 1280 O ASN A 76 4.527 -10.039 10.346 1.00 0.00 O ATOM 1281 CB ASN A 76 2.709 -11.800 11.380 1.00 0.00 C ATOM 1282 CG ASN A 76 1.230 -12.062 11.595 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.828 -13.174 11.937 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.412 -11.034 11.394 1.00 0.00 N ATOM 0 H ASN A 76 3.258 -13.913 9.224 1.00 0.00 H new ATOM 0 HA ASN A 76 2.221 -11.936 9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.291 -12.499 11.981 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.953 -10.797 11.731 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.593 -11.149 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.789 -10.130 11.111 1.00 0.00 H new ATOM 1291 N THR A 77 4.106 -10.532 8.192 1.00 0.00 N ATOM 1292 CA THR A 77 4.906 -9.431 7.672 1.00 0.00 C ATOM 1293 C THR A 77 4.155 -8.682 6.573 1.00 0.00 C ATOM 1294 O THR A 77 3.367 -9.272 5.835 1.00 0.00 O ATOM 1295 CB THR A 77 6.238 -9.953 7.134 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.980 -10.588 8.161 1.00 0.00 O ATOM 1297 CG2 THR A 77 7.113 -8.870 6.540 1.00 0.00 C ATOM 0 H THR A 77 3.663 -11.107 7.476 1.00 0.00 H new ATOM 0 HA THR A 77 5.100 -8.737 8.490 1.00 0.00 H new ATOM 0 HB THR A 77 5.972 -10.656 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.202 -9.934 8.856 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.042 -9.311 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.590 -8.394 5.711 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.338 -8.125 7.303 1.00 0.00 H new ATOM 1305 N LEU A 78 4.410 -7.382 6.471 1.00 0.00 N ATOM 1306 CA LEU A 78 3.764 -6.551 5.462 1.00 0.00 C ATOM 1307 C LEU A 78 4.765 -6.127 4.393 1.00 0.00 C ATOM 1308 O LEU A 78 5.436 -5.104 4.526 1.00 0.00 O ATOM 1309 CB LEU A 78 3.139 -5.316 6.115 1.00 0.00 C ATOM 1310 CG LEU A 78 1.763 -4.923 5.572 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.062 -3.974 6.532 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.895 -4.289 4.196 1.00 0.00 C ATOM 0 H LEU A 78 5.061 -6.881 7.076 1.00 0.00 H new ATOM 0 HA LEU A 78 2.977 -7.137 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.052 -5.495 7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.818 -4.473 5.987 1.00 0.00 H new ATOM 0 HG LEU A 78 1.159 -5.825 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.085 -3.705 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.935 -4.462 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.663 -3.073 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.907 -4.016 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.517 -3.396 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.356 -5.000 3.510 1.00 0.00 H new ATOM 1324 N PHE A 79 4.864 -6.923 3.334 1.00 0.00 N ATOM 1325 CA PHE A 79 5.785 -6.634 2.241 1.00 0.00 C ATOM 1326 C PHE A 79 5.112 -5.774 1.174 1.00 0.00 C ATOM 1327 O PHE A 79 4.218 -6.234 0.465 1.00 0.00 O ATOM 1328 CB PHE A 79 6.296 -7.942 1.626 1.00 0.00 C ATOM 1329 CG PHE A 79 7.054 -7.762 0.339 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.914 -6.688 0.165 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.905 -8.671 -0.697 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.609 -6.525 -1.018 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.599 -8.512 -1.881 1.00 0.00 C ATOM 1334 CZ PHE A 79 8.452 -7.438 -2.043 1.00 0.00 C ATOM 0 H PHE A 79 4.317 -7.775 3.209 1.00 0.00 H new ATOM 0 HA PHE A 79 6.631 -6.075 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.941 -8.442 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.447 -8.602 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.042 -5.971 0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.239 -9.513 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.275 -5.684 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.474 -9.228 -2.680 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.995 -7.312 -2.968 1.00 0.00 H new ATOM 1344 N LEU A 80 5.553 -4.525 1.065 1.00 0.00 N ATOM 1345 CA LEU A 80 4.996 -3.600 0.084 1.00 0.00 C ATOM 1346 C LEU A 80 5.408 -4.003 -1.328 1.00 0.00 C ATOM 1347 O LEU A 80 6.084 -5.014 -1.523 1.00 0.00 O ATOM 1348 CB LEU A 80 5.460 -2.172 0.376 1.00 0.00 C ATOM 1349 CG LEU A 80 4.857 -1.538 1.630 1.00 0.00 C ATOM 1350 CD1 LEU A 80 3.337 -1.599 1.581 1.00 0.00 C ATOM 1351 CD2 LEU A 80 5.379 -2.232 2.880 1.00 0.00 C ATOM 0 H LEU A 80 6.294 -4.130 1.644 1.00 0.00 H new ATOM 0 HA LEU A 80 3.909 -3.640 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.546 -2.172 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.217 -1.545 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 80 5.158 -0.491 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.925 -1.143 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.979 -1.058 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.016 -2.639 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.940 -1.769 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.107 -3.287 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.464 -2.138 2.922 1.00 0.00 H new ATOM 1363 N VAL A 81 4.995 -3.211 -2.313 1.00 0.00 N ATOM 1364 CA VAL A 81 5.324 -3.494 -3.705 1.00 0.00 C ATOM 1365 C VAL A 81 5.365 -2.215 -4.536 1.00 0.00 C ATOM 1366 O VAL A 81 6.437 -1.758 -4.934 1.00 0.00 O ATOM 1367 CB VAL A 81 4.311 -4.479 -4.328 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.644 -4.754 -5.788 1.00 0.00 C ATOM 1369 CG2 VAL A 81 4.270 -5.774 -3.530 1.00 0.00 C ATOM 0 H VAL A 81 4.434 -2.371 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 81 6.314 -3.951 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 81 3.323 -4.020 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.915 -5.451 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.614 -3.821 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.641 -5.188 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.551 -6.457 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.258 -6.234 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.971 -5.560 -2.504 1.00 0.00 H new ATOM 1379 N ARG A 82 4.194 -1.645 -4.803 1.00 0.00 N ATOM 1380 CA ARG A 82 4.105 -0.421 -5.595 1.00 0.00 C ATOM 1381 C ARG A 82 3.855 0.793 -4.704 1.00 0.00 C ATOM 1382 O ARG A 82 3.463 0.657 -3.546 1.00 0.00 O ATOM 1383 CB ARG A 82 2.990 -0.544 -6.637 1.00 0.00 C ATOM 1384 CG ARG A 82 3.487 -0.974 -8.009 1.00 0.00 C ATOM 1385 CD ARG A 82 2.648 -0.367 -9.122 1.00 0.00 C ATOM 1386 NE ARG A 82 3.467 0.342 -10.101 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.223 -0.263 -11.014 1.00 0.00 C ATOM 1388 NH1 ARG A 82 4.270 -1.588 -11.074 1.00 0.00 N ATOM 1389 NH2 ARG A 82 4.935 0.457 -11.869 1.00 0.00 N ATOM 0 H ARG A 82 3.296 -2.009 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 82 5.058 -0.280 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.252 -1.264 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.481 0.416 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.527 -0.673 -8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.459 -2.061 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.086 -1.155 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.920 0.321 -8.693 1.00 0.00 H new ATOM 0 HE ARG A 82 3.459 1.362 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.725 -2.148 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.851 -2.046 -11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.904 1.476 -11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.514 -0.008 -12.568 1.00 0.00 H new ATOM 1403 N LEU A 83 4.085 1.980 -5.258 1.00 0.00 N ATOM 1404 CA LEU A 83 3.887 3.224 -4.523 1.00 0.00 C ATOM 1405 C LEU A 83 4.154 4.431 -5.414 1.00 0.00 C ATOM 1406 O LEU A 83 5.274 4.943 -5.464 1.00 0.00 O ATOM 1407 CB LEU A 83 4.801 3.269 -3.296 1.00 0.00 C ATOM 1408 CG LEU A 83 4.389 4.274 -2.219 1.00 0.00 C ATOM 1409 CD1 LEU A 83 4.546 5.699 -2.729 1.00 0.00 C ATOM 1410 CD2 LEU A 83 2.956 4.020 -1.774 1.00 0.00 C ATOM 0 H LEU A 83 4.410 2.106 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 83 2.848 3.260 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.835 2.275 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.813 3.506 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 83 5.045 4.144 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.248 6.400 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.587 5.877 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.915 5.843 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.679 4.744 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.286 4.122 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.875 3.012 -1.367 1.00 0.00 H new ATOM 1422 N GLY A 84 3.122 4.883 -6.118 1.00 0.00 N ATOM 1423 CA GLY A 84 3.269 6.027 -6.999 1.00 0.00 C ATOM 1424 C GLY A 84 1.993 6.348 -7.751 1.00 0.00 C ATOM 1425 O GLY A 84 0.905 6.333 -7.177 1.00 0.00 O ATOM 0 H GLY A 84 2.186 4.478 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.570 6.896 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.068 5.831 -7.713 1.00 0.00 H new ATOM 1429 N SER A 85 2.127 6.638 -9.041 1.00 0.00 N ATOM 1430 CA SER A 85 0.976 6.964 -9.875 1.00 0.00 C ATOM 1431 C SER A 85 1.111 6.335 -11.259 1.00 0.00 C ATOM 1432 O SER A 85 2.218 6.181 -11.775 1.00 0.00 O ATOM 1433 CB SER A 85 0.823 8.481 -9.999 1.00 0.00 C ATOM 1434 OG SER A 85 -0.534 8.868 -9.880 1.00 0.00 O ATOM 0 H SER A 85 3.021 6.654 -9.532 1.00 0.00 H new ATOM 0 HA SER A 85 0.085 6.556 -9.398 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.414 8.974 -9.227 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.216 8.812 -10.960 1.00 0.00 H new ATOM 0 HG SER A 85 -0.605 9.842 -9.961 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.021 5.973 -11.853 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.028 5.360 -13.175 1.00 0.00 C ATOM 1442 C HIS A 86 0.612 6.281 -14.210 1.00 0.00 C ATOM 1443 O HIS A 86 1.344 5.829 -15.090 1.00 0.00 O ATOM 1444 CB HIS A 86 -1.461 5.021 -13.596 1.00 0.00 C ATOM 1445 CG HIS A 86 -1.537 4.060 -14.741 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -1.320 4.432 -16.052 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -1.809 2.733 -14.769 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -1.457 3.377 -16.835 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -1.752 2.334 -16.082 1.00 0.00 N ATOM 0 H HIS A 86 -0.945 6.094 -11.439 1.00 0.00 H new ATOM 0 HA HIS A 86 0.557 4.442 -13.123 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.991 4.599 -12.742 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.978 5.941 -13.870 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.029 2.106 -13.918 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.346 3.369 -17.909 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.912 1.385 -16.420 1.00 0.00 H new ATOM 1458 N SER A 87 0.329 7.576 -14.098 1.00 0.00 N ATOM 1459 CA SER A 87 0.876 8.559 -15.024 1.00 0.00 C ATOM 1460 C SER A 87 2.346 8.834 -14.723 1.00 0.00 C ATOM 1461 O SER A 87 3.153 9.021 -15.634 1.00 0.00 O ATOM 1462 CB SER A 87 0.076 9.861 -14.949 1.00 0.00 C ATOM 1463 OG SER A 87 0.211 10.612 -16.143 1.00 0.00 O ATOM 0 H SER A 87 -0.275 7.967 -13.375 1.00 0.00 H new ATOM 0 HA SER A 87 0.801 8.151 -16.032 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.976 9.636 -14.775 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.420 10.454 -14.102 1.00 0.00 H new ATOM 0 HG SER A 87 -0.311 11.438 -16.070 1.00 0.00 H new ATOM 1469 N GLU A 88 2.687 8.855 -13.439 1.00 0.00 N ATOM 1470 CA GLU A 88 4.059 9.106 -13.015 1.00 0.00 C ATOM 1471 C GLU A 88 4.971 7.950 -13.410 1.00 0.00 C ATOM 1472 O GLU A 88 5.954 8.139 -14.127 1.00 0.00 O ATOM 1473 CB GLU A 88 4.115 9.324 -11.502 1.00 0.00 C ATOM 1474 CG GLU A 88 4.128 10.790 -11.097 1.00 0.00 C ATOM 1475 CD GLU A 88 2.794 11.470 -11.332 1.00 0.00 C ATOM 1476 OE1 GLU A 88 2.123 11.133 -12.330 1.00 0.00 O ATOM 1477 OE2 GLU A 88 2.418 12.339 -10.516 1.00 0.00 O ATOM 0 H GLU A 88 2.031 8.701 -12.673 1.00 0.00 H new ATOM 0 HA GLU A 88 4.409 10.008 -13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.256 8.836 -11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.007 8.839 -11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.392 10.870 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.902 11.312 -11.660 1.00 0.00 H new ATOM 1484 N LEU A 89 4.638 6.753 -12.941 1.00 0.00 N ATOM 1485 CA LEU A 89 5.427 5.565 -13.246 1.00 0.00 C ATOM 1486 C LEU A 89 5.381 5.251 -14.737 1.00 0.00 C ATOM 1487 O LEU A 89 6.407 5.266 -15.418 1.00 0.00 O ATOM 1488 CB LEU A 89 4.917 4.368 -12.439 1.00 0.00 C ATOM 1489 CG LEU A 89 5.747 4.021 -11.202 1.00 0.00 C ATOM 1490 CD1 LEU A 89 7.192 3.744 -11.588 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.671 5.143 -10.179 1.00 0.00 C ATOM 0 H LEU A 89 3.827 6.579 -12.348 1.00 0.00 H new ATOM 0 HA LEU A 89 6.462 5.763 -12.969 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.893 4.570 -12.126 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.884 3.496 -13.092 1.00 0.00 H new ATOM 0 HG LEU A 89 5.335 3.118 -10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.767 3.499 -10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.228 2.906 -12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.618 4.628 -12.062 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.267 4.880 -9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.058 6.063 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.634 5.292 -9.879 1.00 0.00 H new ATOM 1503 N PHE A 90 4.185 4.965 -15.241 1.00 0.00 N ATOM 1504 CA PHE A 90 4.005 4.648 -16.653 1.00 0.00 C ATOM 1505 C PHE A 90 3.659 5.899 -17.453 1.00 0.00 C ATOM 1506 O PHE A 90 3.145 5.755 -18.582 1.00 0.00 O ATOM 1507 CB PHE A 90 2.906 3.597 -16.826 1.00 0.00 C ATOM 1508 CG PHE A 90 3.288 2.239 -16.307 1.00 0.00 C ATOM 1509 CD1 PHE A 90 3.911 1.319 -17.134 1.00 0.00 C ATOM 1510 CD2 PHE A 90 3.021 1.884 -14.995 1.00 0.00 C ATOM 1511 CE1 PHE A 90 4.263 0.069 -16.661 1.00 0.00 C ATOM 1512 CE2 PHE A 90 3.371 0.635 -14.516 1.00 0.00 C ATOM 1513 CZ PHE A 90 3.993 -0.273 -15.350 1.00 0.00 C ATOM 0 H PHE A 90 3.325 4.946 -14.692 1.00 0.00 H new ATOM 0 HA PHE A 90 4.945 4.246 -17.031 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.007 3.935 -16.310 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.655 3.516 -17.884 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.124 1.581 -18.160 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.534 2.590 -14.339 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.749 -0.640 -17.316 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.158 0.370 -13.491 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.268 -1.249 -14.978 1.00 0.00 H new TER 1523 PHE A 90