USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.02) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= -0.113 USER MOD Single : A 1 GLU N :NH3+ -170:sc= -0.0121 (180deg=-0.137) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.0883 (180deg=-0.493) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -127:sc= 1.16 USER MOD Single : A 10 THR OG1 : rot 77:sc= 1.32 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.14! C(o=-3.1!,f=-2.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 73:sc= 1.24 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -101:sc= 0.188 USER MOD Single : A 41 TYR OH : rot 130:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 0.981 K(o=0.98,f=-4.8!) USER MOD Single : A 45 TYR OH : rot 30:sc= 1.19 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -5.54! C(o=-5.5!,f=-9.5!) USER MOD Single : A 52 TYR OH : rot -143:sc= 1.28 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.07) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= -0.207 X(o=-0.21,f=-0.3) USER MOD Single : A 72 HIS : no HE2:sc= 1.02 K(o=1,f=-6.2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.00043) USER MOD Single : A 75 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.0098) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.629 -8.234 -16.537 1.00 0.00 N ATOM 2 CA GLU A 1 2.073 -8.139 -16.384 1.00 0.00 C ATOM 3 C GLU A 1 2.503 -8.967 -15.207 1.00 0.00 C ATOM 4 O GLU A 1 2.133 -8.673 -14.070 1.00 0.00 O ATOM 5 CB GLU A 1 2.496 -6.692 -16.174 1.00 0.00 C ATOM 6 CG GLU A 1 2.116 -5.768 -17.306 1.00 0.00 C ATOM 7 CD GLU A 1 2.631 -4.378 -17.101 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.821 -4.143 -17.362 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.859 -3.492 -16.680 1.00 0.00 O ATOM 0 H1 GLU A 1 0.347 -7.806 -17.442 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.344 -9.234 -16.523 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.163 -7.730 -15.755 1.00 0.00 H new ATOM 0 HA GLU A 1 2.549 -8.510 -17.292 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.046 -6.323 -15.252 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.577 -6.657 -16.038 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.508 -6.164 -18.243 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.031 -5.741 -17.401 1.00 0.00 H new ATOM 18 N ASP A 2 3.229 -10.018 -15.462 1.00 0.00 N ATOM 19 CA ASP A 2 3.712 -10.852 -14.392 1.00 0.00 C ATOM 20 C ASP A 2 5.017 -10.284 -13.898 1.00 0.00 C ATOM 21 O ASP A 2 5.952 -10.107 -14.683 1.00 0.00 O ATOM 22 CB ASP A 2 3.872 -12.297 -14.845 1.00 0.00 C ATOM 23 CG ASP A 2 4.365 -13.200 -13.743 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.572 -13.582 -12.858 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.549 -13.555 -13.735 1.00 0.00 O ATOM 0 H ASP A 2 3.500 -10.319 -16.398 1.00 0.00 H new ATOM 0 HA ASP A 2 2.986 -10.860 -13.579 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.914 -12.667 -15.211 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.570 -12.336 -15.681 1.00 0.00 H new ATOM 30 N MET A 3 5.055 -9.987 -12.611 1.00 0.00 N ATOM 31 CA MET A 3 6.172 -9.310 -11.957 1.00 0.00 C ATOM 32 C MET A 3 6.283 -7.884 -12.475 1.00 0.00 C ATOM 33 O MET A 3 7.013 -7.592 -13.426 1.00 0.00 O ATOM 34 CB MET A 3 7.516 -10.075 -12.070 1.00 0.00 C ATOM 35 CG MET A 3 8.674 -9.403 -11.326 1.00 0.00 C ATOM 36 SD MET A 3 10.243 -10.302 -11.465 1.00 0.00 S ATOM 37 CE MET A 3 10.527 -10.232 -13.240 1.00 0.00 C ATOM 0 H MET A 3 4.293 -10.214 -11.972 1.00 0.00 H new ATOM 0 HA MET A 3 5.955 -9.286 -10.889 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.383 -11.084 -11.680 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.781 -10.172 -13.123 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.807 -8.393 -11.714 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.411 -9.307 -10.272 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.575 -10.447 -13.450 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.899 -10.970 -13.738 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.280 -9.237 -13.609 1.00 0.00 H new ATOM 47 N GLU A 4 5.489 -7.023 -11.899 1.00 0.00 N ATOM 48 CA GLU A 4 5.447 -5.635 -12.287 1.00 0.00 C ATOM 49 C GLU A 4 6.608 -4.868 -11.652 1.00 0.00 C ATOM 50 O GLU A 4 6.792 -4.913 -10.441 1.00 0.00 O ATOM 51 CB GLU A 4 4.109 -5.031 -11.888 1.00 0.00 C ATOM 52 CG GLU A 4 2.936 -5.611 -12.649 1.00 0.00 C ATOM 53 CD GLU A 4 1.599 -5.168 -12.115 1.00 0.00 C ATOM 54 OE1 GLU A 4 1.325 -3.956 -12.061 1.00 0.00 O ATOM 55 OE2 GLU A 4 0.772 -6.039 -11.785 1.00 0.00 O ATOM 0 H GLU A 4 4.848 -7.264 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 4 5.551 -5.562 -13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.953 -5.187 -10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.142 -3.954 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.014 -5.323 -13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.991 -6.699 -12.613 1.00 0.00 H new ATOM 62 N PRO A 5 7.456 -4.216 -12.459 1.00 0.00 N ATOM 63 CA PRO A 5 8.593 -3.438 -11.947 1.00 0.00 C ATOM 64 C PRO A 5 8.186 -2.064 -11.398 1.00 0.00 C ATOM 65 O PRO A 5 8.881 -1.493 -10.552 1.00 0.00 O ATOM 66 CB PRO A 5 9.481 -3.252 -13.193 1.00 0.00 C ATOM 67 CG PRO A 5 8.925 -4.199 -14.199 1.00 0.00 C ATOM 68 CD PRO A 5 7.463 -4.246 -13.922 1.00 0.00 C ATOM 0 HA PRO A 5 9.076 -3.946 -11.113 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.445 -2.224 -13.555 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.525 -3.476 -12.972 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.123 -3.856 -15.215 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.376 -5.186 -14.102 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.934 -3.397 -14.355 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.997 -5.148 -14.318 1.00 0.00 H new ATOM 76 N CYS A 6 7.067 -1.559 -11.852 1.00 0.00 N ATOM 77 CA CYS A 6 6.644 -0.225 -11.494 1.00 0.00 C ATOM 78 C CYS A 6 6.024 -0.164 -10.110 1.00 0.00 C ATOM 79 O CYS A 6 4.864 -0.512 -9.940 1.00 0.00 O ATOM 80 CB CYS A 6 5.669 0.310 -12.523 1.00 0.00 C ATOM 81 SG CYS A 6 6.316 0.333 -14.211 1.00 0.00 S ATOM 0 H CYS A 6 6.428 -2.053 -12.474 1.00 0.00 H new ATOM 0 HA CYS A 6 7.538 0.399 -11.476 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.764 -0.297 -12.500 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.380 1.323 -12.242 1.00 0.00 H new ATOM 0 HG CYS A 6 5.410 0.803 -15.016 1.00 0.00 H new ATOM 87 N LEU A 7 6.840 0.197 -9.107 1.00 0.00 N ATOM 88 CA LEU A 7 6.395 0.431 -7.702 1.00 0.00 C ATOM 89 C LEU A 7 5.959 -0.857 -6.961 1.00 0.00 C ATOM 90 O LEU A 7 5.983 -0.918 -5.723 1.00 0.00 O ATOM 91 CB LEU A 7 5.292 1.507 -7.669 1.00 0.00 C ATOM 92 CG LEU A 7 5.712 2.882 -8.212 1.00 0.00 C ATOM 93 CD1 LEU A 7 4.509 3.772 -8.428 1.00 0.00 C ATOM 94 CD2 LEU A 7 6.687 3.548 -7.253 1.00 0.00 C ATOM 0 H LEU A 7 7.841 0.339 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 7 7.264 0.792 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.439 1.150 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.953 1.627 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 7 6.202 2.731 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.836 4.738 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.835 3.305 -9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.988 3.915 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.978 4.521 -7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.210 3.678 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.573 2.922 -7.142 1.00 0.00 H new ATOM 106 N THR A 8 5.557 -1.842 -7.709 1.00 0.00 N ATOM 107 CA THR A 8 5.152 -3.128 -7.237 1.00 0.00 C ATOM 108 C THR A 8 6.260 -3.806 -6.420 1.00 0.00 C ATOM 109 O THR A 8 7.440 -3.740 -6.766 1.00 0.00 O ATOM 110 CB THR A 8 4.795 -3.979 -8.452 1.00 0.00 C ATOM 111 OG1 THR A 8 3.761 -3.312 -9.196 1.00 0.00 O ATOM 112 CG2 THR A 8 4.332 -5.360 -8.053 1.00 0.00 C ATOM 0 H THR A 8 5.501 -1.762 -8.724 1.00 0.00 H new ATOM 0 HA THR A 8 4.293 -3.017 -6.575 1.00 0.00 H new ATOM 0 HB THR A 8 5.688 -4.100 -9.065 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.014 -3.929 -9.343 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.087 -5.934 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.126 -5.865 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.448 -5.279 -7.421 1.00 0.00 H new ATOM 120 N GLY A 9 5.870 -4.424 -5.326 1.00 0.00 N ATOM 121 CA GLY A 9 6.817 -5.095 -4.475 1.00 0.00 C ATOM 122 C GLY A 9 7.103 -4.292 -3.236 1.00 0.00 C ATOM 123 O GLY A 9 7.636 -4.811 -2.256 1.00 0.00 O ATOM 0 H GLY A 9 4.902 -4.473 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.428 -6.074 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.744 -5.266 -5.022 1.00 0.00 H new ATOM 127 N THR A 10 6.748 -3.025 -3.277 1.00 0.00 N ATOM 128 CA THR A 10 6.952 -2.144 -2.156 1.00 0.00 C ATOM 129 C THR A 10 5.979 -2.484 -1.032 1.00 0.00 C ATOM 130 O THR A 10 4.760 -2.552 -1.241 1.00 0.00 O ATOM 131 CB THR A 10 6.760 -0.678 -2.572 1.00 0.00 C ATOM 132 OG1 THR A 10 7.607 -0.385 -3.699 1.00 0.00 O ATOM 133 CG2 THR A 10 7.082 0.286 -1.426 1.00 0.00 C ATOM 0 H THR A 10 6.312 -2.582 -4.086 1.00 0.00 H new ATOM 0 HA THR A 10 7.974 -2.279 -1.803 1.00 0.00 H new ATOM 0 HB THR A 10 5.713 -0.540 -2.840 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.214 -0.766 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.934 1.312 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.423 0.081 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.119 0.151 -1.118 1.00 0.00 H new ATOM 141 N LYS A 11 6.522 -2.721 0.118 1.00 0.00 N ATOM 142 CA LYS A 11 5.762 -3.001 1.299 1.00 0.00 C ATOM 143 C LYS A 11 5.561 -1.690 2.015 1.00 0.00 C ATOM 144 O LYS A 11 6.518 -1.093 2.528 1.00 0.00 O ATOM 145 CB LYS A 11 6.498 -4.012 2.184 1.00 0.00 C ATOM 146 CG LYS A 11 6.772 -5.335 1.482 1.00 0.00 C ATOM 147 CD LYS A 11 7.559 -6.294 2.357 1.00 0.00 C ATOM 148 CE LYS A 11 7.784 -7.615 1.641 1.00 0.00 C ATOM 149 NZ LYS A 11 8.550 -8.574 2.462 1.00 0.00 N ATOM 0 H LYS A 11 7.531 -2.726 0.269 1.00 0.00 H new ATOM 0 HA LYS A 11 4.799 -3.446 1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.443 -3.579 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.906 -4.199 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.826 -5.797 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.325 -5.149 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.519 -5.849 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.022 -6.467 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.821 -8.053 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.316 -7.434 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.678 -9.460 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.480 -8.169 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.031 -8.769 3.342 1.00 0.00 H new ATOM 163 N VAL A 12 4.357 -1.226 2.009 1.00 0.00 N ATOM 164 CA VAL A 12 4.045 0.075 2.510 1.00 0.00 C ATOM 165 C VAL A 12 2.946 -0.023 3.554 1.00 0.00 C ATOM 166 O VAL A 12 2.405 -1.089 3.802 1.00 0.00 O ATOM 167 CB VAL A 12 3.570 0.947 1.330 1.00 0.00 C ATOM 168 CG1 VAL A 12 2.226 0.532 0.777 1.00 0.00 C ATOM 169 CG2 VAL A 12 3.656 2.402 1.598 1.00 0.00 C ATOM 0 H VAL A 12 3.552 -1.742 1.653 1.00 0.00 H new ATOM 0 HA VAL A 12 4.926 0.519 2.974 1.00 0.00 H new ATOM 0 HB VAL A 12 4.288 0.752 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.954 1.188 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.281 -0.497 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.472 0.605 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.306 2.954 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.035 2.651 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.691 2.673 1.808 1.00 0.00 H new ATOM 179 N LYS A 13 2.631 1.067 4.140 1.00 0.00 N ATOM 180 CA LYS A 13 1.536 1.132 5.061 1.00 0.00 C ATOM 181 C LYS A 13 0.420 1.909 4.410 1.00 0.00 C ATOM 182 O LYS A 13 0.676 2.842 3.648 1.00 0.00 O ATOM 183 CB LYS A 13 1.951 1.688 6.438 1.00 0.00 C ATOM 184 CG LYS A 13 0.807 1.755 7.457 1.00 0.00 C ATOM 185 CD LYS A 13 1.302 1.648 8.896 1.00 0.00 C ATOM 186 CE LYS A 13 2.359 2.674 9.233 1.00 0.00 C ATOM 187 NZ LYS A 13 2.862 2.490 10.609 1.00 0.00 N ATOM 0 H LYS A 13 3.120 1.951 4.002 1.00 0.00 H new ATOM 0 HA LYS A 13 1.180 0.125 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.749 1.066 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.364 2.688 6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.266 2.693 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.100 0.950 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.458 1.767 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.706 0.649 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.186 2.594 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.944 3.676 9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.586 3.208 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.076 2.590 11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.279 1.542 10.702 1.00 0.00 H new ATOM 201 N VAL A 14 -0.783 1.505 4.672 1.00 0.00 N ATOM 202 CA VAL A 14 -1.948 2.034 4.045 1.00 0.00 C ATOM 203 C VAL A 14 -2.940 2.517 5.094 1.00 0.00 C ATOM 204 O VAL A 14 -3.257 1.799 6.056 1.00 0.00 O ATOM 205 CB VAL A 14 -2.617 0.935 3.163 1.00 0.00 C ATOM 206 CG1 VAL A 14 -3.953 1.394 2.629 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.705 0.541 2.002 1.00 0.00 C ATOM 0 H VAL A 14 -0.986 0.772 5.352 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.656 2.877 3.419 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.781 0.065 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.392 0.604 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.619 1.622 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.814 2.288 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.192 -0.227 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.506 1.415 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.765 0.153 2.393 1.00 0.00 H new ATOM 217 N LYS A 15 -3.391 3.718 4.927 1.00 0.00 N ATOM 218 CA LYS A 15 -4.404 4.274 5.761 1.00 0.00 C ATOM 219 C LYS A 15 -5.638 4.352 4.914 1.00 0.00 C ATOM 220 O LYS A 15 -5.663 5.078 3.957 1.00 0.00 O ATOM 221 CB LYS A 15 -4.003 5.676 6.190 1.00 0.00 C ATOM 222 CG LYS A 15 -4.927 6.324 7.199 1.00 0.00 C ATOM 223 CD LYS A 15 -4.406 7.688 7.598 1.00 0.00 C ATOM 224 CE LYS A 15 -5.225 8.282 8.720 1.00 0.00 C ATOM 225 NZ LYS A 15 -4.707 9.592 9.143 1.00 0.00 N ATOM 0 H LYS A 15 -3.061 4.349 4.197 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.560 3.672 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.999 5.638 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.953 6.310 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.927 6.420 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.014 5.689 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.365 7.605 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.429 8.355 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.261 8.388 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.225 7.600 9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.296 9.966 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.727 9.487 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.731 10.251 8.339 1.00 0.00 H new ATOM 239 N TYR A 16 -6.627 3.597 5.222 1.00 0.00 N ATOM 240 CA TYR A 16 -7.801 3.590 4.415 1.00 0.00 C ATOM 241 C TYR A 16 -9.003 3.690 5.319 1.00 0.00 C ATOM 242 O TYR A 16 -9.344 2.742 6.041 1.00 0.00 O ATOM 243 CB TYR A 16 -7.823 2.315 3.567 1.00 0.00 C ATOM 244 CG TYR A 16 -8.853 2.298 2.480 1.00 0.00 C ATOM 245 CD1 TYR A 16 -8.689 3.064 1.338 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.983 1.522 2.590 1.00 0.00 C ATOM 247 CE1 TYR A 16 -9.630 3.056 0.333 1.00 0.00 C ATOM 248 CE2 TYR A 16 -10.933 1.504 1.593 1.00 0.00 C ATOM 249 CZ TYR A 16 -10.751 2.273 0.466 1.00 0.00 C ATOM 250 OH TYR A 16 -11.691 2.254 -0.535 1.00 0.00 O ATOM 0 H TYR A 16 -6.652 2.973 6.028 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.815 4.439 3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.839 2.178 3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.995 1.462 4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.807 3.679 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.128 0.917 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.488 3.659 -0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.816 0.890 1.695 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.421 1.650 -0.287 1.00 0.00 H new ATOM 260 N GLY A 17 -9.600 4.846 5.356 1.00 0.00 N ATOM 261 CA GLY A 17 -10.702 5.021 6.218 1.00 0.00 C ATOM 262 C GLY A 17 -11.609 6.142 5.854 1.00 0.00 C ATOM 263 O GLY A 17 -11.162 7.196 5.405 1.00 0.00 O ATOM 0 H GLY A 17 -9.338 5.662 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.280 4.097 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.331 5.187 7.229 1.00 0.00 H new ATOM 267 N ARG A 18 -12.874 5.897 6.040 1.00 0.00 N ATOM 268 CA ARG A 18 -13.923 6.852 5.830 1.00 0.00 C ATOM 269 C ARG A 18 -15.037 6.620 6.864 1.00 0.00 C ATOM 270 O ARG A 18 -15.689 5.568 6.866 1.00 0.00 O ATOM 271 CB ARG A 18 -14.478 6.780 4.390 1.00 0.00 C ATOM 272 CG ARG A 18 -14.967 5.405 3.937 1.00 0.00 C ATOM 273 CD ARG A 18 -15.720 5.502 2.623 1.00 0.00 C ATOM 274 NE ARG A 18 -16.285 4.213 2.215 1.00 0.00 N ATOM 275 CZ ARG A 18 -17.554 4.009 1.817 1.00 0.00 C ATOM 276 NH1 ARG A 18 -18.455 4.998 1.860 1.00 0.00 N ATOM 277 NH2 ARG A 18 -17.920 2.805 1.414 1.00 0.00 N ATOM 0 H ARG A 18 -13.216 4.989 6.355 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.514 7.854 5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.304 7.486 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.700 7.113 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.117 4.732 3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.615 4.976 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.521 6.235 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.047 5.865 1.846 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.665 3.403 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.183 5.921 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.413 4.828 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.243 2.042 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.879 2.639 1.110 1.00 0.00 H new ATOM 291 N GLY A 19 -15.220 7.569 7.746 1.00 0.00 N ATOM 292 CA GLY A 19 -16.237 7.463 8.771 1.00 0.00 C ATOM 293 C GLY A 19 -15.840 6.465 9.836 1.00 0.00 C ATOM 294 O GLY A 19 -14.773 6.599 10.462 1.00 0.00 O ATOM 0 H GLY A 19 -14.676 8.431 7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.400 8.439 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.182 7.160 8.319 1.00 0.00 H new ATOM 298 N LYS A 20 -16.667 5.454 10.035 1.00 0.00 N ATOM 299 CA LYS A 20 -16.368 4.419 11.001 1.00 0.00 C ATOM 300 C LYS A 20 -15.524 3.329 10.340 1.00 0.00 C ATOM 301 O LYS A 20 -14.824 2.554 10.999 1.00 0.00 O ATOM 302 CB LYS A 20 -17.656 3.848 11.636 1.00 0.00 C ATOM 303 CG LYS A 20 -17.395 2.812 12.728 1.00 0.00 C ATOM 304 CD LYS A 20 -16.443 3.365 13.781 1.00 0.00 C ATOM 305 CE LYS A 20 -16.101 2.348 14.843 1.00 0.00 C ATOM 306 NZ LYS A 20 -14.972 2.814 15.664 1.00 0.00 N ATOM 0 H LYS A 20 -17.550 5.330 9.539 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.790 4.854 11.817 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.237 4.668 12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.265 3.394 10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.337 2.526 13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.972 1.910 12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.526 3.702 13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.894 4.239 14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.970 2.171 15.477 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.849 1.397 14.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.752 2.101 16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.139 2.960 15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.226 3.710 16.126 1.00 0.00 H new ATOM 320 N THR A 21 -15.564 3.316 9.039 1.00 0.00 N ATOM 321 CA THR A 21 -14.798 2.404 8.244 1.00 0.00 C ATOM 322 C THR A 21 -13.359 2.949 8.114 1.00 0.00 C ATOM 323 O THR A 21 -12.951 3.407 7.067 1.00 0.00 O ATOM 324 CB THR A 21 -15.477 2.264 6.853 1.00 0.00 C ATOM 325 OG1 THR A 21 -16.848 1.859 7.043 1.00 0.00 O ATOM 326 CG2 THR A 21 -14.766 1.253 5.952 1.00 0.00 C ATOM 0 H THR A 21 -16.142 3.953 8.491 1.00 0.00 H new ATOM 0 HA THR A 21 -14.754 1.419 8.708 1.00 0.00 H new ATOM 0 HB THR A 21 -15.421 3.232 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.286 1.769 6.171 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.281 1.194 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.736 1.570 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.774 0.273 6.428 1.00 0.00 H new ATOM 334 N GLN A 22 -12.651 2.982 9.222 1.00 0.00 N ATOM 335 CA GLN A 22 -11.295 3.481 9.285 1.00 0.00 C ATOM 336 C GLN A 22 -10.398 2.386 9.796 1.00 0.00 C ATOM 337 O GLN A 22 -10.561 1.918 10.918 1.00 0.00 O ATOM 338 CB GLN A 22 -11.231 4.720 10.200 1.00 0.00 C ATOM 339 CG GLN A 22 -9.841 5.347 10.395 1.00 0.00 C ATOM 340 CD GLN A 22 -9.219 5.911 9.130 1.00 0.00 C ATOM 341 OE1 GLN A 22 -9.430 7.069 8.777 1.00 0.00 O ATOM 342 NE2 GLN A 22 -8.405 5.131 8.470 1.00 0.00 N ATOM 0 H GLN A 22 -13.008 2.657 10.120 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.960 3.781 8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.897 5.481 9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.623 4.444 11.179 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.917 6.145 11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.171 4.593 10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.248 4.174 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.926 5.479 7.639 1.00 0.00 H new ATOM 351 N LYS A 23 -9.468 1.963 8.981 1.00 0.00 N ATOM 352 CA LYS A 23 -8.600 0.903 9.341 1.00 0.00 C ATOM 353 C LYS A 23 -7.241 1.164 8.720 1.00 0.00 C ATOM 354 O LYS A 23 -7.148 1.510 7.543 1.00 0.00 O ATOM 355 CB LYS A 23 -9.217 -0.408 8.844 1.00 0.00 C ATOM 356 CG LYS A 23 -8.483 -1.663 9.223 1.00 0.00 C ATOM 357 CD LYS A 23 -9.273 -2.895 8.787 1.00 0.00 C ATOM 358 CE LYS A 23 -8.527 -4.185 9.084 1.00 0.00 C ATOM 359 NZ LYS A 23 -9.292 -5.382 8.661 1.00 0.00 N ATOM 0 H LYS A 23 -9.301 2.351 8.053 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.469 0.832 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.235 -0.476 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.287 -0.365 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.498 -1.671 8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.325 -1.688 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.236 -2.907 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.480 -2.834 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.564 -4.172 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.321 -4.246 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.746 -6.239 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.200 -5.410 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.467 -5.338 7.637 1.00 0.00 H new ATOM 373 N ILE A 24 -6.214 1.110 9.525 1.00 0.00 N ATOM 374 CA ILE A 24 -4.871 1.298 9.040 1.00 0.00 C ATOM 375 C ILE A 24 -4.142 -0.028 9.079 1.00 0.00 C ATOM 376 O ILE A 24 -4.130 -0.725 10.115 1.00 0.00 O ATOM 377 CB ILE A 24 -4.080 2.411 9.803 1.00 0.00 C ATOM 378 CG1 ILE A 24 -4.831 3.753 9.724 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.658 2.567 9.249 1.00 0.00 C ATOM 380 CD1 ILE A 24 -5.845 3.988 10.836 1.00 0.00 C ATOM 0 H ILE A 24 -6.282 0.936 10.528 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.937 1.655 8.012 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.003 2.108 10.847 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.101 4.562 9.741 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.346 3.808 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.136 3.348 9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.120 1.625 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.706 2.839 8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.322 4.958 10.695 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.602 3.204 10.810 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.338 3.970 11.801 1.00 0.00 H new ATOM 392 N TYR A 25 -3.561 -0.370 7.964 1.00 0.00 N ATOM 393 CA TYR A 25 -2.949 -1.655 7.732 1.00 0.00 C ATOM 394 C TYR A 25 -1.720 -1.541 6.843 1.00 0.00 C ATOM 395 O TYR A 25 -1.481 -0.510 6.258 1.00 0.00 O ATOM 396 CB TYR A 25 -3.964 -2.709 7.184 1.00 0.00 C ATOM 397 CG TYR A 25 -5.219 -2.213 6.405 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.266 -1.007 5.681 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.366 -2.986 6.419 1.00 0.00 C ATOM 400 CE1 TYR A 25 -6.424 -0.620 5.012 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.512 -2.601 5.751 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.538 -1.424 5.058 1.00 0.00 C ATOM 403 OH TYR A 25 -8.687 -1.054 4.384 1.00 0.00 O ATOM 0 H TYR A 25 -3.496 0.257 7.162 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.615 -2.021 8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.415 -3.385 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.314 -3.300 8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.392 -0.373 5.644 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.365 -3.916 6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.447 0.308 4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.389 -3.231 5.777 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.556 -1.178 3.421 1.00 0.00 H new ATOM 413 N GLU A 26 -0.924 -2.579 6.796 1.00 0.00 N ATOM 414 CA GLU A 26 0.303 -2.584 6.008 1.00 0.00 C ATOM 415 C GLU A 26 0.164 -3.538 4.826 1.00 0.00 C ATOM 416 O GLU A 26 -0.304 -4.673 4.985 1.00 0.00 O ATOM 417 CB GLU A 26 1.488 -2.946 6.908 1.00 0.00 C ATOM 418 CG GLU A 26 1.719 -1.915 8.007 1.00 0.00 C ATOM 419 CD GLU A 26 2.666 -2.374 9.073 1.00 0.00 C ATOM 420 OE1 GLU A 26 3.895 -2.323 8.880 1.00 0.00 O ATOM 421 OE2 GLU A 26 2.198 -2.770 10.155 1.00 0.00 O ATOM 0 H GLU A 26 -1.100 -3.449 7.299 1.00 0.00 H new ATOM 0 HA GLU A 26 0.487 -1.590 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.312 -3.922 7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.389 -3.034 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.106 -1.000 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.762 -1.665 8.466 1.00 0.00 H new ATOM 428 N ALA A 27 0.572 -3.099 3.659 1.00 0.00 N ATOM 429 CA ALA A 27 0.355 -3.851 2.448 1.00 0.00 C ATOM 430 C ALA A 27 1.554 -3.838 1.544 1.00 0.00 C ATOM 431 O ALA A 27 2.576 -3.267 1.854 1.00 0.00 O ATOM 432 CB ALA A 27 -0.832 -3.286 1.691 1.00 0.00 C ATOM 0 H ALA A 27 1.061 -2.214 3.523 1.00 0.00 H new ATOM 0 HA ALA A 27 0.165 -4.882 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.988 -3.860 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.724 -3.347 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.638 -2.244 1.436 1.00 0.00 H new ATOM 438 N SER A 28 1.425 -4.510 0.446 1.00 0.00 N ATOM 439 CA SER A 28 2.401 -4.496 -0.580 1.00 0.00 C ATOM 440 C SER A 28 1.733 -4.018 -1.873 1.00 0.00 C ATOM 441 O SER A 28 0.585 -4.400 -2.170 1.00 0.00 O ATOM 442 CB SER A 28 2.973 -5.892 -0.735 1.00 0.00 C ATOM 443 OG SER A 28 3.389 -6.381 0.540 1.00 0.00 O ATOM 0 H SER A 28 0.616 -5.096 0.239 1.00 0.00 H new ATOM 0 HA SER A 28 3.220 -3.819 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.224 -6.557 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.818 -5.876 -1.423 1.00 0.00 H new ATOM 0 HG SER A 28 3.757 -7.284 0.440 1.00 0.00 H new ATOM 449 N ILE A 29 2.409 -3.147 -2.584 1.00 0.00 N ATOM 450 CA ILE A 29 1.906 -2.607 -3.835 1.00 0.00 C ATOM 451 C ILE A 29 1.977 -3.680 -4.903 1.00 0.00 C ATOM 452 O ILE A 29 3.042 -4.291 -5.096 1.00 0.00 O ATOM 453 CB ILE A 29 2.743 -1.376 -4.299 1.00 0.00 C ATOM 454 CG1 ILE A 29 2.767 -0.272 -3.219 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.236 -0.828 -5.634 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.399 0.213 -2.785 1.00 0.00 C ATOM 0 H ILE A 29 3.325 -2.789 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 29 0.876 -2.286 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 29 3.768 -1.717 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.299 -0.648 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.336 0.577 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.841 0.029 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.309 -1.603 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.196 -0.519 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.511 0.987 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.869 0.623 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.831 -0.621 -2.372 1.00 0.00 H new ATOM 468 N LYS A 30 0.868 -3.926 -5.576 1.00 0.00 N ATOM 469 CA LYS A 30 0.847 -4.925 -6.606 1.00 0.00 C ATOM 470 C LYS A 30 0.727 -4.243 -7.988 1.00 0.00 C ATOM 471 O LYS A 30 1.417 -4.614 -8.916 1.00 0.00 O ATOM 472 CB LYS A 30 -0.293 -5.937 -6.355 1.00 0.00 C ATOM 473 CG LYS A 30 0.008 -7.393 -6.792 1.00 0.00 C ATOM 474 CD LYS A 30 0.177 -7.575 -8.305 1.00 0.00 C ATOM 475 CE LYS A 30 -1.118 -7.314 -9.053 1.00 0.00 C ATOM 476 NZ LYS A 30 -0.975 -7.511 -10.506 1.00 0.00 N ATOM 0 H LYS A 30 -0.019 -3.447 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 30 1.781 -5.487 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.530 -5.936 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.184 -5.594 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.917 -7.729 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.801 -8.038 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.949 -6.897 -8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.519 -8.589 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.894 -7.978 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.448 -6.294 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.909 -7.692 -10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.563 -6.657 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.352 -8.324 -10.686 1.00 0.00 H new ATOM 490 N SER A 31 -0.115 -3.220 -8.095 1.00 0.00 N ATOM 491 CA SER A 31 -0.299 -2.494 -9.367 1.00 0.00 C ATOM 492 C SER A 31 -0.615 -1.013 -9.086 1.00 0.00 C ATOM 493 O SER A 31 -0.813 -0.631 -7.921 1.00 0.00 O ATOM 494 CB SER A 31 -1.443 -3.133 -10.187 1.00 0.00 C ATOM 495 OG SER A 31 -1.174 -4.494 -10.479 1.00 0.00 O ATOM 0 H SER A 31 -0.683 -2.869 -7.324 1.00 0.00 H new ATOM 0 HA SER A 31 0.623 -2.557 -9.944 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.377 -3.057 -9.631 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.579 -2.580 -11.116 1.00 0.00 H new ATOM 0 HG SER A 31 -1.916 -4.870 -10.997 1.00 0.00 H new ATOM 501 N THR A 32 -0.618 -0.169 -10.114 1.00 0.00 N ATOM 502 CA THR A 32 -0.999 1.231 -9.952 1.00 0.00 C ATOM 503 C THR A 32 -1.692 1.719 -11.224 1.00 0.00 C ATOM 504 O THR A 32 -1.298 1.351 -12.339 1.00 0.00 O ATOM 505 CB THR A 32 0.216 2.138 -9.703 1.00 0.00 C ATOM 506 OG1 THR A 32 1.190 1.453 -8.898 1.00 0.00 O ATOM 507 CG2 THR A 32 -0.216 3.358 -8.946 1.00 0.00 C ATOM 0 H THR A 32 -0.361 -0.429 -11.066 1.00 0.00 H new ATOM 0 HA THR A 32 -1.661 1.286 -9.088 1.00 0.00 H new ATOM 0 HB THR A 32 0.645 2.409 -10.668 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.127 1.766 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.646 4.001 -8.770 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.961 3.902 -9.527 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.647 3.060 -7.991 1.00 0.00 H new ATOM 515 N GLU A 33 -2.689 2.534 -11.061 1.00 0.00 N ATOM 516 CA GLU A 33 -3.427 3.097 -12.171 1.00 0.00 C ATOM 517 C GLU A 33 -3.686 4.545 -11.953 1.00 0.00 C ATOM 518 O GLU A 33 -3.888 4.980 -10.841 1.00 0.00 O ATOM 519 CB GLU A 33 -4.752 2.386 -12.439 1.00 0.00 C ATOM 520 CG GLU A 33 -4.593 1.023 -13.051 1.00 0.00 C ATOM 521 CD GLU A 33 -5.878 0.502 -13.644 1.00 0.00 C ATOM 522 OE1 GLU A 33 -6.656 -0.161 -12.950 1.00 0.00 O ATOM 523 OE2 GLU A 33 -6.111 0.752 -14.842 1.00 0.00 O ATOM 0 H GLU A 33 -3.024 2.836 -10.146 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.795 2.955 -13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.300 2.292 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.358 3.004 -13.102 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.829 1.064 -13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.239 0.326 -12.291 1.00 0.00 H new ATOM 530 N ILE A 34 -3.664 5.284 -13.002 1.00 0.00 N ATOM 531 CA ILE A 34 -3.950 6.696 -12.929 1.00 0.00 C ATOM 532 C ILE A 34 -5.232 6.898 -13.675 1.00 0.00 C ATOM 533 O ILE A 34 -5.284 6.698 -14.886 1.00 0.00 O ATOM 534 CB ILE A 34 -2.853 7.619 -13.571 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.471 7.537 -12.879 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.317 9.080 -13.589 1.00 0.00 C ATOM 537 CD1 ILE A 34 -0.762 6.204 -12.956 1.00 0.00 C ATOM 0 H ILE A 34 -3.450 4.942 -13.939 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.994 6.978 -11.877 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.723 7.243 -14.586 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.823 8.295 -13.318 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.599 7.797 -11.828 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.543 9.702 -14.038 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.233 9.164 -14.173 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.505 9.414 -12.569 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.194 6.270 -12.436 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.378 5.437 -12.487 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.590 5.943 -14.000 1.00 0.00 H new ATOM 549 N ASP A 35 -6.251 7.256 -12.981 1.00 0.00 N ATOM 550 CA ASP A 35 -7.553 7.391 -13.593 1.00 0.00 C ATOM 551 C ASP A 35 -8.337 8.459 -12.872 1.00 0.00 C ATOM 552 O ASP A 35 -8.328 8.509 -11.633 1.00 0.00 O ATOM 553 CB ASP A 35 -8.316 6.056 -13.550 1.00 0.00 C ATOM 554 CG ASP A 35 -9.545 6.048 -14.435 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.635 6.461 -13.989 1.00 0.00 O ATOM 556 OD2 ASP A 35 -9.438 5.609 -15.606 1.00 0.00 O ATOM 0 H ASP A 35 -6.223 7.465 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.424 7.676 -14.637 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.648 5.252 -13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.614 5.847 -12.522 1.00 0.00 H new ATOM 561 N ASP A 36 -8.952 9.341 -13.648 1.00 0.00 N ATOM 562 CA ASP A 36 -9.790 10.460 -13.162 1.00 0.00 C ATOM 563 C ASP A 36 -8.912 11.545 -12.522 1.00 0.00 C ATOM 564 O ASP A 36 -9.367 12.380 -11.755 1.00 0.00 O ATOM 565 CB ASP A 36 -10.897 9.954 -12.192 1.00 0.00 C ATOM 566 CG ASP A 36 -11.941 11.001 -11.837 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.765 11.344 -12.703 1.00 0.00 O ATOM 568 OD2 ASP A 36 -11.999 11.457 -10.664 1.00 0.00 O ATOM 0 H ASP A 36 -8.888 9.308 -14.665 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.301 10.908 -14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.397 9.097 -12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.427 9.601 -11.274 1.00 0.00 H new ATOM 573 N GLY A 37 -7.655 11.564 -12.918 1.00 0.00 N ATOM 574 CA GLY A 37 -6.722 12.562 -12.441 1.00 0.00 C ATOM 575 C GLY A 37 -6.031 12.190 -11.147 1.00 0.00 C ATOM 576 O GLY A 37 -5.298 13.004 -10.577 1.00 0.00 O ATOM 0 H GLY A 37 -7.255 10.893 -13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.967 12.734 -13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.253 13.503 -12.300 1.00 0.00 H new ATOM 580 N GLU A 38 -6.271 10.998 -10.663 1.00 0.00 N ATOM 581 CA GLU A 38 -5.639 10.540 -9.460 1.00 0.00 C ATOM 582 C GLU A 38 -4.972 9.216 -9.693 1.00 0.00 C ATOM 583 O GLU A 38 -5.317 8.498 -10.635 1.00 0.00 O ATOM 584 CB GLU A 38 -6.639 10.491 -8.299 1.00 0.00 C ATOM 585 CG GLU A 38 -7.848 9.587 -8.491 1.00 0.00 C ATOM 586 CD GLU A 38 -8.875 9.778 -7.403 1.00 0.00 C ATOM 587 OE1 GLU A 38 -9.747 10.656 -7.539 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.864 9.037 -6.416 1.00 0.00 O ATOM 0 H GLU A 38 -6.906 10.324 -11.091 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.863 11.251 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.108 10.168 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.995 11.504 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.304 9.792 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.524 8.546 -8.505 1.00 0.00 H new ATOM 595 N VAL A 39 -4.014 8.907 -8.875 1.00 0.00 N ATOM 596 CA VAL A 39 -3.296 7.700 -8.998 1.00 0.00 C ATOM 597 C VAL A 39 -3.668 6.779 -7.866 1.00 0.00 C ATOM 598 O VAL A 39 -3.531 7.106 -6.670 1.00 0.00 O ATOM 599 CB VAL A 39 -1.762 7.925 -9.120 1.00 0.00 C ATOM 600 CG1 VAL A 39 -1.198 8.678 -7.927 1.00 0.00 C ATOM 601 CG2 VAL A 39 -1.033 6.605 -9.371 1.00 0.00 C ATOM 0 H VAL A 39 -3.714 9.498 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.579 7.220 -9.935 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.590 8.561 -9.988 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.124 8.812 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.679 9.653 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.386 8.110 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.038 6.791 -9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.221 5.922 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.395 6.160 -10.298 1.00 0.00 H new ATOM 611 N LEU A 40 -4.197 5.682 -8.244 1.00 0.00 N ATOM 612 CA LEU A 40 -4.689 4.722 -7.347 1.00 0.00 C ATOM 613 C LEU A 40 -3.772 3.558 -7.371 1.00 0.00 C ATOM 614 O LEU A 40 -3.327 3.117 -8.434 1.00 0.00 O ATOM 615 CB LEU A 40 -6.114 4.273 -7.735 1.00 0.00 C ATOM 616 CG LEU A 40 -7.194 5.361 -7.847 1.00 0.00 C ATOM 617 CD1 LEU A 40 -7.164 6.282 -6.651 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.096 6.104 -9.175 1.00 0.00 C ATOM 0 H LEU A 40 -4.302 5.420 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.740 5.154 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.055 3.757 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.448 3.541 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.171 4.877 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.938 7.042 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.343 5.706 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.189 6.765 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.873 6.867 -9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.117 6.577 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.227 5.400 -9.997 1.00 0.00 H new ATOM 630 N TYR A 41 -3.490 3.066 -6.247 1.00 0.00 N ATOM 631 CA TYR A 41 -2.625 1.962 -6.109 1.00 0.00 C ATOM 632 C TYR A 41 -3.422 0.789 -5.750 1.00 0.00 C ATOM 633 O TYR A 41 -4.418 0.896 -5.036 1.00 0.00 O ATOM 634 CB TYR A 41 -1.578 2.200 -5.029 1.00 0.00 C ATOM 635 CG TYR A 41 -0.493 3.168 -5.403 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.735 4.529 -5.503 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.783 2.712 -5.661 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.270 5.400 -5.851 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.790 3.572 -6.007 1.00 0.00 C ATOM 640 CZ TYR A 41 1.530 4.919 -6.102 1.00 0.00 C ATOM 641 OH TYR A 41 2.537 5.785 -6.453 1.00 0.00 O ATOM 0 H TYR A 41 -3.859 3.421 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.105 1.810 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.078 2.566 -4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.120 1.245 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.726 4.910 -5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.992 1.655 -5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.068 6.458 -5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.783 3.195 -6.204 1.00 0.00 H new ATOM 0 HH TYR A 41 3.323 5.618 -5.891 1.00 0.00 H new ATOM 651 N LEU A 42 -3.001 -0.309 -6.231 1.00 0.00 N ATOM 652 CA LEU A 42 -3.634 -1.515 -5.954 1.00 0.00 C ATOM 653 C LEU A 42 -2.726 -2.241 -5.026 1.00 0.00 C ATOM 654 O LEU A 42 -1.581 -2.592 -5.383 1.00 0.00 O ATOM 655 CB LEU A 42 -3.915 -2.289 -7.263 1.00 0.00 C ATOM 656 CG LEU A 42 -4.682 -3.621 -7.152 1.00 0.00 C ATOM 657 CD1 LEU A 42 -3.778 -4.763 -6.746 1.00 0.00 C ATOM 658 CD2 LEU A 42 -5.818 -3.483 -6.167 1.00 0.00 C ATOM 0 H LEU A 42 -2.188 -0.390 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.610 -1.382 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.476 -1.632 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.959 -2.491 -7.746 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.081 -3.854 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.360 -5.682 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.990 -4.885 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.331 -4.546 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.354 -4.429 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.420 -3.216 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.501 -2.704 -6.506 1.00 0.00 H new ATOM 670 N VAL A 43 -3.196 -2.426 -3.848 1.00 0.00 N ATOM 671 CA VAL A 43 -2.419 -2.981 -2.813 1.00 0.00 C ATOM 672 C VAL A 43 -3.053 -4.285 -2.371 1.00 0.00 C ATOM 673 O VAL A 43 -4.285 -4.496 -2.513 1.00 0.00 O ATOM 674 CB VAL A 43 -2.335 -1.985 -1.585 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.954 -0.583 -2.046 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.634 -1.939 -0.775 1.00 0.00 C ATOM 0 H VAL A 43 -4.150 -2.190 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.408 -3.161 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.555 -2.369 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.903 0.082 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.982 -0.614 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.704 -0.214 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.521 -1.241 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.452 -1.611 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.855 -2.933 -0.385 1.00 0.00 H new ATOM 686 N HIS A 44 -2.228 -5.177 -1.942 1.00 0.00 N ATOM 687 CA HIS A 44 -2.671 -6.380 -1.330 1.00 0.00 C ATOM 688 C HIS A 44 -1.864 -6.517 -0.096 1.00 0.00 C ATOM 689 O HIS A 44 -0.663 -6.253 -0.110 1.00 0.00 O ATOM 690 CB HIS A 44 -2.532 -7.616 -2.232 1.00 0.00 C ATOM 691 CG HIS A 44 -3.099 -8.861 -1.588 1.00 0.00 C ATOM 692 ND1 HIS A 44 -4.439 -9.166 -1.584 1.00 0.00 N ATOM 693 CD2 HIS A 44 -2.504 -9.837 -0.867 1.00 0.00 C ATOM 694 CE1 HIS A 44 -4.633 -10.261 -0.887 1.00 0.00 C ATOM 695 NE2 HIS A 44 -3.484 -10.682 -0.448 1.00 0.00 N ATOM 0 H HIS A 44 -1.214 -5.089 -2.008 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.739 -6.323 -1.122 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.043 -7.433 -3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.479 -7.777 -2.465 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.168 -8.626 -2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.448 -9.929 -0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.588 -10.733 -0.708 1.00 0.00 H new ATOM 704 N TYR A 45 -2.486 -6.887 0.966 1.00 0.00 N ATOM 705 CA TYR A 45 -1.815 -6.899 2.213 1.00 0.00 C ATOM 706 C TYR A 45 -0.963 -8.142 2.342 1.00 0.00 C ATOM 707 O TYR A 45 -1.457 -9.219 2.641 1.00 0.00 O ATOM 708 CB TYR A 45 -2.855 -6.701 3.341 1.00 0.00 C ATOM 709 CG TYR A 45 -3.634 -5.400 3.119 1.00 0.00 C ATOM 710 CD1 TYR A 45 -4.699 -5.333 2.208 1.00 0.00 C ATOM 711 CD2 TYR A 45 -3.251 -4.234 3.738 1.00 0.00 C ATOM 712 CE1 TYR A 45 -5.343 -4.142 1.943 1.00 0.00 C ATOM 713 CE2 TYR A 45 -3.879 -3.040 3.460 1.00 0.00 C ATOM 714 CZ TYR A 45 -4.926 -2.999 2.567 1.00 0.00 C ATOM 715 OH TYR A 45 -5.515 -1.796 2.273 1.00 0.00 O ATOM 0 H TYR A 45 -3.461 -7.186 0.995 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.111 -6.071 2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.543 -7.546 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.353 -6.672 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.021 -6.232 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.444 -4.254 4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.170 -4.113 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.549 -2.133 3.944 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.449 -1.943 2.014 1.00 0.00 H new ATOM 725 N TYR A 46 0.332 -7.945 2.070 1.00 0.00 N ATOM 726 CA TYR A 46 1.358 -8.979 2.089 1.00 0.00 C ATOM 727 C TYR A 46 1.001 -10.224 1.280 1.00 0.00 C ATOM 728 O TYR A 46 0.443 -11.193 1.803 1.00 0.00 O ATOM 729 CB TYR A 46 1.817 -9.294 3.506 1.00 0.00 C ATOM 730 CG TYR A 46 2.772 -8.262 4.057 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.330 -7.018 4.499 1.00 0.00 C ATOM 732 CD2 TYR A 46 4.128 -8.528 4.112 1.00 0.00 C ATOM 733 CE1 TYR A 46 3.223 -6.075 4.973 1.00 0.00 C ATOM 734 CE2 TYR A 46 5.021 -7.601 4.590 1.00 0.00 C ATOM 735 CZ TYR A 46 4.568 -6.376 5.015 1.00 0.00 C ATOM 736 OH TYR A 46 5.471 -5.442 5.468 1.00 0.00 O ATOM 0 H TYR A 46 0.701 -7.027 1.823 1.00 0.00 H new ATOM 0 HA TYR A 46 2.216 -8.558 1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.946 -9.361 4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.300 -10.271 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.275 -6.787 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.493 -9.486 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.870 -5.111 5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.075 -7.834 4.632 1.00 0.00 H new ATOM 0 HH TYR A 46 6.376 -5.817 5.433 1.00 0.00 H new ATOM 746 N GLY A 47 1.270 -10.163 -0.005 1.00 0.00 N ATOM 747 CA GLY A 47 0.996 -11.268 -0.886 1.00 0.00 C ATOM 748 C GLY A 47 0.431 -10.781 -2.196 1.00 0.00 C ATOM 749 O GLY A 47 0.352 -9.568 -2.419 1.00 0.00 O ATOM 0 H GLY A 47 1.682 -9.350 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.912 -11.831 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.291 -11.951 -0.412 1.00 0.00 H new ATOM 753 N TRP A 48 -0.009 -11.701 -3.020 1.00 0.00 N ATOM 754 CA TRP A 48 -0.549 -11.394 -4.334 1.00 0.00 C ATOM 755 C TRP A 48 -2.083 -11.337 -4.250 1.00 0.00 C ATOM 756 O TRP A 48 -2.678 -11.911 -3.326 1.00 0.00 O ATOM 757 CB TRP A 48 -0.061 -12.446 -5.361 1.00 0.00 C ATOM 758 CG TRP A 48 -0.509 -13.865 -5.093 1.00 0.00 C ATOM 759 CD1 TRP A 48 -1.516 -14.523 -5.724 1.00 0.00 C ATOM 760 CD2 TRP A 48 0.037 -14.796 -4.138 1.00 0.00 C ATOM 761 NE1 TRP A 48 -1.642 -15.794 -5.224 1.00 0.00 N ATOM 762 CE2 TRP A 48 -0.703 -15.988 -4.253 1.00 0.00 C ATOM 763 CE3 TRP A 48 1.074 -14.738 -3.197 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -0.442 -17.109 -3.468 1.00 0.00 C ATOM 765 CZ3 TRP A 48 1.331 -15.850 -2.420 1.00 0.00 C ATOM 766 CH2 TRP A 48 0.576 -17.021 -2.560 1.00 0.00 C ATOM 0 H TRP A 48 -0.005 -12.697 -2.800 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.194 -10.420 -4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.410 -12.153 -6.351 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.028 -12.425 -5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.130 -14.105 -6.508 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.328 -16.484 -5.529 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.662 -13.839 -3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.022 -18.014 -3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.128 -15.816 -1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.803 -17.873 -1.937 1.00 0.00 H new ATOM 777 N ASN A 49 -2.730 -10.647 -5.166 1.00 0.00 N ATOM 778 CA ASN A 49 -4.177 -10.499 -5.075 1.00 0.00 C ATOM 779 C ASN A 49 -4.935 -11.413 -6.013 1.00 0.00 C ATOM 780 O ASN A 49 -5.034 -11.165 -7.224 1.00 0.00 O ATOM 781 CB ASN A 49 -4.686 -9.035 -5.233 1.00 0.00 C ATOM 782 CG ASN A 49 -4.341 -8.368 -6.560 1.00 0.00 C ATOM 783 OD1 ASN A 49 -3.274 -8.549 -7.097 1.00 0.00 O ATOM 784 ND2 ASN A 49 -5.276 -7.640 -7.115 1.00 0.00 N ATOM 0 H ASN A 49 -2.295 -10.188 -5.966 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.393 -10.805 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.769 -9.029 -5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.272 -8.434 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.113 -7.208 -8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.167 -7.505 -6.638 1.00 0.00 H new ATOM 791 N VAL A 50 -5.422 -12.497 -5.476 1.00 0.00 N ATOM 792 CA VAL A 50 -6.336 -13.336 -6.212 1.00 0.00 C ATOM 793 C VAL A 50 -7.776 -12.875 -5.964 1.00 0.00 C ATOM 794 O VAL A 50 -8.549 -12.664 -6.898 1.00 0.00 O ATOM 795 CB VAL A 50 -6.175 -14.868 -5.921 1.00 0.00 C ATOM 796 CG1 VAL A 50 -4.889 -15.388 -6.519 1.00 0.00 C ATOM 797 CG2 VAL A 50 -6.201 -15.171 -4.426 1.00 0.00 C ATOM 0 H VAL A 50 -5.204 -12.823 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.086 -13.219 -7.266 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.024 -15.372 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.794 -16.453 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.900 -15.232 -7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.044 -14.855 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.086 -16.244 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.384 -14.643 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.151 -14.843 -4.005 1.00 0.00 H new ATOM 807 N ARG A 51 -8.109 -12.672 -4.704 1.00 0.00 N ATOM 808 CA ARG A 51 -9.440 -12.261 -4.318 1.00 0.00 C ATOM 809 C ARG A 51 -9.473 -10.828 -3.818 1.00 0.00 C ATOM 810 O ARG A 51 -10.159 -9.986 -4.387 1.00 0.00 O ATOM 811 CB ARG A 51 -9.992 -13.229 -3.247 1.00 0.00 C ATOM 812 CG ARG A 51 -11.319 -12.842 -2.545 1.00 0.00 C ATOM 813 CD ARG A 51 -12.523 -12.786 -3.482 1.00 0.00 C ATOM 814 NE ARG A 51 -12.493 -11.637 -4.395 1.00 0.00 N ATOM 815 CZ ARG A 51 -13.101 -11.597 -5.571 1.00 0.00 C ATOM 816 NH1 ARG A 51 -13.831 -12.620 -5.971 1.00 0.00 N ATOM 817 NH2 ARG A 51 -12.992 -10.528 -6.338 1.00 0.00 N ATOM 0 H ARG A 51 -7.464 -12.788 -3.922 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.075 -12.300 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.131 -14.204 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.229 -13.351 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.522 -13.562 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.196 -11.869 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.563 -13.705 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.436 -12.746 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.968 -10.813 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.927 -13.442 -5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.299 -12.589 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.439 -9.730 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.461 -10.500 -7.243 1.00 0.00 H new ATOM 831 N TYR A 52 -8.695 -10.541 -2.809 1.00 0.00 N ATOM 832 CA TYR A 52 -8.797 -9.256 -2.151 1.00 0.00 C ATOM 833 C TYR A 52 -7.914 -8.224 -2.817 1.00 0.00 C ATOM 834 O TYR A 52 -6.685 -8.225 -2.651 1.00 0.00 O ATOM 835 CB TYR A 52 -8.475 -9.376 -0.657 1.00 0.00 C ATOM 836 CG TYR A 52 -8.914 -8.182 0.172 1.00 0.00 C ATOM 837 CD1 TYR A 52 -10.195 -8.132 0.696 1.00 0.00 C ATOM 838 CD2 TYR A 52 -8.058 -7.116 0.436 1.00 0.00 C ATOM 839 CE1 TYR A 52 -10.616 -7.065 1.455 1.00 0.00 C ATOM 840 CE2 TYR A 52 -8.480 -6.040 1.198 1.00 0.00 C ATOM 841 CZ TYR A 52 -9.759 -6.023 1.703 1.00 0.00 C ATOM 842 OH TYR A 52 -10.186 -4.956 2.472 1.00 0.00 O ATOM 0 H TYR A 52 -7.989 -11.169 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.829 -8.917 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -8.954 -10.273 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.400 -9.511 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.877 -8.947 0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.053 -7.129 0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -11.619 -7.048 1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.808 -5.218 1.395 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.812 -4.124 2.113 1.00 0.00 H new ATOM 852 N ASP A 53 -8.521 -7.387 -3.589 1.00 0.00 N ATOM 853 CA ASP A 53 -7.834 -6.314 -4.264 1.00 0.00 C ATOM 854 C ASP A 53 -8.364 -4.994 -3.698 1.00 0.00 C ATOM 855 O ASP A 53 -9.584 -4.811 -3.593 1.00 0.00 O ATOM 856 CB ASP A 53 -8.062 -6.426 -5.808 1.00 0.00 C ATOM 857 CG ASP A 53 -9.436 -6.012 -6.304 1.00 0.00 C ATOM 858 OD1 ASP A 53 -10.374 -6.832 -6.257 1.00 0.00 O ATOM 859 OD2 ASP A 53 -9.589 -4.886 -6.819 1.00 0.00 O ATOM 0 H ASP A 53 -9.523 -7.421 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.758 -6.366 -4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.315 -5.813 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.884 -7.458 -6.109 1.00 0.00 H new ATOM 864 N GLU A 54 -7.482 -4.113 -3.246 1.00 0.00 N ATOM 865 CA GLU A 54 -7.952 -2.857 -2.686 1.00 0.00 C ATOM 866 C GLU A 54 -7.189 -1.679 -3.273 1.00 0.00 C ATOM 867 O GLU A 54 -5.958 -1.716 -3.400 1.00 0.00 O ATOM 868 CB GLU A 54 -7.918 -2.888 -1.146 1.00 0.00 C ATOM 869 CG GLU A 54 -8.602 -1.706 -0.474 1.00 0.00 C ATOM 870 CD GLU A 54 -8.894 -1.974 0.981 1.00 0.00 C ATOM 871 OE1 GLU A 54 -9.928 -2.627 1.270 1.00 0.00 O ATOM 872 OE2 GLU A 54 -8.119 -1.561 1.852 1.00 0.00 O ATOM 0 H GLU A 54 -6.470 -4.238 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.996 -2.721 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.392 -3.808 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.879 -2.924 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.968 -0.824 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.533 -1.482 -0.995 1.00 0.00 H new ATOM 879 N TRP A 55 -7.933 -0.655 -3.648 1.00 0.00 N ATOM 880 CA TRP A 55 -7.390 0.506 -4.328 1.00 0.00 C ATOM 881 C TRP A 55 -7.366 1.692 -3.399 1.00 0.00 C ATOM 882 O TRP A 55 -8.414 2.118 -2.886 1.00 0.00 O ATOM 883 CB TRP A 55 -8.224 0.834 -5.573 1.00 0.00 C ATOM 884 CG TRP A 55 -8.269 -0.295 -6.555 1.00 0.00 C ATOM 885 CD1 TRP A 55 -9.055 -1.410 -6.483 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.498 -0.424 -7.751 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.806 -2.232 -7.541 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.859 -1.650 -8.346 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.535 0.372 -8.374 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -7.290 -2.097 -9.533 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.973 -0.072 -9.551 1.00 0.00 C ATOM 892 CH2 TRP A 55 -6.350 -1.296 -10.119 1.00 0.00 C ATOM 0 H TRP A 55 -8.939 -0.605 -3.488 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.370 0.279 -4.637 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.240 1.085 -5.268 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.810 1.717 -6.060 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.771 -1.611 -5.700 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.252 -3.134 -7.708 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.237 1.316 -7.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.579 -3.039 -9.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.228 0.535 -10.045 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.887 -1.614 -11.041 1.00 0.00 H new ATOM 903 N VAL A 56 -6.191 2.213 -3.178 1.00 0.00 N ATOM 904 CA VAL A 56 -5.984 3.338 -2.288 1.00 0.00 C ATOM 905 C VAL A 56 -5.252 4.427 -3.059 1.00 0.00 C ATOM 906 O VAL A 56 -4.431 4.128 -3.910 1.00 0.00 O ATOM 907 CB VAL A 56 -5.123 2.919 -1.057 1.00 0.00 C ATOM 908 CG1 VAL A 56 -5.013 4.029 -0.025 1.00 0.00 C ATOM 909 CG2 VAL A 56 -5.638 1.628 -0.435 1.00 0.00 C ATOM 0 H VAL A 56 -5.335 1.869 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.949 3.695 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.114 2.732 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.404 3.688 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.548 4.904 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.008 4.292 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.017 1.363 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.668 1.768 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.599 0.827 -1.174 1.00 0.00 H new ATOM 919 N LYS A 57 -5.556 5.667 -2.774 1.00 0.00 N ATOM 920 CA LYS A 57 -4.935 6.788 -3.441 1.00 0.00 C ATOM 921 C LYS A 57 -3.581 7.047 -2.765 1.00 0.00 C ATOM 922 O LYS A 57 -3.447 6.806 -1.560 1.00 0.00 O ATOM 923 CB LYS A 57 -5.880 7.997 -3.341 1.00 0.00 C ATOM 924 CG LYS A 57 -5.512 9.223 -4.169 1.00 0.00 C ATOM 925 CD LYS A 57 -6.654 10.248 -4.099 1.00 0.00 C ATOM 926 CE LYS A 57 -6.383 11.516 -4.904 1.00 0.00 C ATOM 927 NZ LYS A 57 -5.379 12.394 -4.289 1.00 0.00 N ATOM 0 H LYS A 57 -6.245 5.931 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.757 6.592 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.878 7.674 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.939 8.298 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.589 9.665 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.330 8.935 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.571 9.784 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.826 10.518 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.049 11.238 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.315 12.069 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.055 13.094 -4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.800 12.886 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.570 11.825 -3.968 1.00 0.00 H new ATOM 941 N ALA A 58 -2.607 7.552 -3.536 1.00 0.00 N ATOM 942 CA ALA A 58 -1.195 7.741 -3.100 1.00 0.00 C ATOM 943 C ALA A 58 -1.069 8.496 -1.786 1.00 0.00 C ATOM 944 O ALA A 58 -0.179 8.232 -0.974 1.00 0.00 O ATOM 945 CB ALA A 58 -0.432 8.503 -4.168 1.00 0.00 C ATOM 0 H ALA A 58 -2.770 7.849 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.781 6.744 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.601 8.641 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.451 7.939 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.897 9.477 -4.323 1.00 0.00 H new ATOM 951 N ASP A 59 -1.987 9.399 -1.590 1.00 0.00 N ATOM 952 CA ASP A 59 -2.017 10.309 -0.445 1.00 0.00 C ATOM 953 C ASP A 59 -2.299 9.579 0.863 1.00 0.00 C ATOM 954 O ASP A 59 -1.912 10.032 1.938 1.00 0.00 O ATOM 955 CB ASP A 59 -3.080 11.382 -0.674 1.00 0.00 C ATOM 956 CG ASP A 59 -2.857 12.166 -1.946 1.00 0.00 C ATOM 957 OD1 ASP A 59 -3.192 11.650 -3.037 1.00 0.00 O ATOM 958 OD2 ASP A 59 -2.361 13.314 -1.889 1.00 0.00 O ATOM 0 H ASP A 59 -2.766 9.539 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.031 10.766 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.063 10.911 -0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.086 12.068 0.173 1.00 0.00 H new ATOM 963 N ARG A 60 -2.953 8.451 0.770 1.00 0.00 N ATOM 964 CA ARG A 60 -3.307 7.663 1.940 1.00 0.00 C ATOM 965 C ARG A 60 -2.317 6.555 2.183 1.00 0.00 C ATOM 966 O ARG A 60 -2.518 5.696 3.048 1.00 0.00 O ATOM 967 CB ARG A 60 -4.656 7.039 1.773 1.00 0.00 C ATOM 968 CG ARG A 60 -5.824 7.832 2.280 1.00 0.00 C ATOM 969 CD ARG A 60 -7.045 6.962 2.151 1.00 0.00 C ATOM 970 NE ARG A 60 -8.215 7.475 2.879 1.00 0.00 N ATOM 971 CZ ARG A 60 -9.332 7.962 2.301 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.337 8.259 1.005 1.00 0.00 N ATOM 973 NH2 ARG A 60 -10.411 8.214 3.029 1.00 0.00 N ATOM 0 H ARG A 60 -3.259 8.046 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.306 8.349 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.812 6.841 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.652 6.074 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.668 8.124 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.944 8.750 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.300 6.862 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.809 5.963 2.518 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.179 7.462 3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.495 8.119 0.446 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.183 8.627 0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.400 8.040 4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.252 8.582 2.584 1.00 0.00 H new ATOM 987 N ILE A 61 -1.270 6.568 1.451 1.00 0.00 N ATOM 988 CA ILE A 61 -0.296 5.545 1.555 1.00 0.00 C ATOM 989 C ILE A 61 0.929 6.154 2.227 1.00 0.00 C ATOM 990 O ILE A 61 1.204 7.345 2.038 1.00 0.00 O ATOM 991 CB ILE A 61 0.011 4.974 0.145 1.00 0.00 C ATOM 992 CG1 ILE A 61 -1.297 4.496 -0.501 1.00 0.00 C ATOM 993 CG2 ILE A 61 0.965 3.831 0.244 1.00 0.00 C ATOM 994 CD1 ILE A 61 -1.139 3.861 -1.857 1.00 0.00 C ATOM 0 H ILE A 61 -1.060 7.288 0.760 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.645 4.706 2.157 1.00 0.00 H new ATOM 0 HB ILE A 61 0.463 5.756 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.774 3.779 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.973 5.346 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.171 3.441 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.895 4.172 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.527 3.044 0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.116 3.556 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.694 4.579 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.492 2.987 -1.776 1.00 0.00 H new ATOM 1006 N ILE A 62 1.653 5.381 3.020 1.00 0.00 N ATOM 1007 CA ILE A 62 2.714 5.965 3.821 1.00 0.00 C ATOM 1008 C ILE A 62 4.015 5.535 3.233 1.00 0.00 C ATOM 1009 O ILE A 62 4.479 4.423 3.477 1.00 0.00 O ATOM 1010 CB ILE A 62 2.658 5.520 5.344 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.375 5.988 6.091 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.887 6.015 6.103 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.061 5.355 5.661 1.00 0.00 C ATOM 0 H ILE A 62 1.530 4.374 3.125 1.00 0.00 H new ATOM 0 HA ILE A 62 2.595 7.048 3.806 1.00 0.00 H new ATOM 0 HB ILE A 62 2.639 4.430 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.512 5.796 7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.287 7.068 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.824 5.697 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.787 5.599 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.929 7.103 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.753 5.766 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.118 5.568 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.111 4.276 5.810 1.00 0.00 H new ATOM 1025 N TRP A 63 4.629 6.423 2.519 1.00 0.00 N ATOM 1026 CA TRP A 63 5.792 6.083 1.766 1.00 0.00 C ATOM 1027 C TRP A 63 7.035 6.082 2.627 1.00 0.00 C ATOM 1028 O TRP A 63 7.321 7.074 3.317 1.00 0.00 O ATOM 1029 CB TRP A 63 5.921 6.978 0.535 1.00 0.00 C ATOM 1030 CG TRP A 63 4.763 6.780 -0.400 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.713 7.625 -0.604 1.00 0.00 C ATOM 1032 CD2 TRP A 63 4.517 5.628 -1.212 1.00 0.00 C ATOM 1033 NE1 TRP A 63 2.839 7.079 -1.510 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.311 5.849 -1.896 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.210 4.431 -1.433 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 2.781 4.917 -2.782 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 4.681 3.508 -2.308 1.00 0.00 C ATOM 1038 CH2 TRP A 63 3.480 3.753 -2.972 1.00 0.00 C ATOM 0 H TRP A 63 4.340 7.398 2.442 1.00 0.00 H new ATOM 0 HA TRP A 63 5.679 5.061 1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.969 8.022 0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 63 6.854 6.756 0.016 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.587 8.584 -0.123 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.979 7.516 -1.842 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.143 4.235 -0.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.853 5.103 -3.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.205 2.580 -2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.091 3.009 -3.652 1.00 0.00 H new ATOM 1049 N PRO A 64 7.776 4.958 2.641 1.00 0.00 N ATOM 1050 CA PRO A 64 8.957 4.816 3.463 1.00 0.00 C ATOM 1051 C PRO A 64 10.083 5.740 3.050 1.00 0.00 C ATOM 1052 O PRO A 64 10.563 5.707 1.914 1.00 0.00 O ATOM 1053 CB PRO A 64 9.385 3.347 3.280 1.00 0.00 C ATOM 1054 CG PRO A 64 8.214 2.677 2.661 1.00 0.00 C ATOM 1055 CD PRO A 64 7.514 3.732 1.863 1.00 0.00 C ATOM 0 HA PRO A 64 8.736 5.080 4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.266 3.270 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.642 2.889 4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.528 1.850 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.554 2.261 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.911 3.803 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.447 3.530 1.774 1.00 0.00 H new ATOM 1063 N LEU A 65 10.459 6.565 3.966 1.00 0.00 N ATOM 1064 CA LEU A 65 11.594 7.424 3.849 1.00 0.00 C ATOM 1065 C LEU A 65 12.160 7.404 5.223 1.00 0.00 C ATOM 1066 O LEU A 65 11.980 8.338 6.015 1.00 0.00 O ATOM 1067 CB LEU A 65 11.172 8.841 3.385 1.00 0.00 C ATOM 1068 CG LEU A 65 12.246 9.750 2.731 1.00 0.00 C ATOM 1069 CD1 LEU A 65 13.375 10.097 3.676 1.00 0.00 C ATOM 1070 CD2 LEU A 65 12.784 9.115 1.457 1.00 0.00 C ATOM 0 H LEU A 65 9.967 6.666 4.854 1.00 0.00 H new ATOM 0 HA LEU A 65 12.320 7.107 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.354 8.728 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.772 9.369 4.250 1.00 0.00 H new ATOM 0 HG LEU A 65 11.752 10.688 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.096 10.734 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.975 10.625 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.869 9.182 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.536 9.768 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.235 8.151 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.967 8.970 0.750 1.00 0.00 H new ATOM 1082 N ASP A 66 12.732 6.234 5.535 1.00 0.00 N ATOM 1083 CA ASP A 66 13.199 5.871 6.868 1.00 0.00 C ATOM 1084 C ASP A 66 11.992 5.603 7.754 1.00 0.00 C ATOM 1085 O ASP A 66 11.681 4.443 8.061 1.00 0.00 O ATOM 1086 CB ASP A 66 14.141 6.930 7.468 1.00 0.00 C ATOM 1087 CG ASP A 66 15.516 6.938 6.840 1.00 0.00 C ATOM 1088 OD1 ASP A 66 16.361 6.081 7.201 1.00 0.00 O ATOM 1089 OD2 ASP A 66 15.787 7.794 5.962 1.00 0.00 O ATOM 0 H ASP A 66 12.884 5.498 4.845 1.00 0.00 H new ATOM 0 HA ASP A 66 13.798 4.963 6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.690 7.915 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.240 6.752 8.539 1.00 0.00 H new ATOM 1094 N LYS A 67 11.280 6.683 8.103 1.00 0.00 N ATOM 1095 CA LYS A 67 10.022 6.665 8.871 1.00 0.00 C ATOM 1096 C LYS A 67 10.229 6.074 10.283 1.00 0.00 C ATOM 1097 O LYS A 67 9.272 5.744 10.987 1.00 0.00 O ATOM 1098 CB LYS A 67 8.924 5.892 8.072 1.00 0.00 C ATOM 1099 CG LYS A 67 7.489 6.033 8.597 1.00 0.00 C ATOM 1100 CD LYS A 67 6.990 7.467 8.477 1.00 0.00 C ATOM 1101 CE LYS A 67 5.579 7.626 9.018 1.00 0.00 C ATOM 1102 NZ LYS A 67 5.075 9.006 8.862 1.00 0.00 N ATOM 0 H LYS A 67 11.572 7.627 7.851 1.00 0.00 H new ATOM 0 HA LYS A 67 9.684 7.692 9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.947 6.234 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.185 4.834 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.829 5.369 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.449 5.719 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.663 8.132 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.014 7.773 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.913 6.937 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.563 7.352 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.110 9.068 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.695 9.662 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.065 9.260 7.854 1.00 0.00 H new ATOM 1116 N GLY A 68 11.464 6.013 10.708 1.00 0.00 N ATOM 1117 CA GLY A 68 11.778 5.445 11.981 1.00 0.00 C ATOM 1118 C GLY A 68 12.004 6.501 13.017 1.00 0.00 C ATOM 1119 O GLY A 68 13.149 6.804 13.367 1.00 0.00 O ATOM 0 H GLY A 68 12.269 6.354 10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.965 4.792 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.670 4.825 11.893 1.00 0.00 H new ATOM 1123 N LEU A 69 10.927 7.068 13.505 1.00 0.00 N ATOM 1124 CA LEU A 69 10.999 8.096 14.524 1.00 0.00 C ATOM 1125 C LEU A 69 11.398 7.455 15.840 1.00 0.00 C ATOM 1126 O LEU A 69 12.299 7.928 16.538 1.00 0.00 O ATOM 1127 CB LEU A 69 9.664 8.880 14.670 1.00 0.00 C ATOM 1128 CG LEU A 69 9.219 9.789 13.491 1.00 0.00 C ATOM 1129 CD1 LEU A 69 10.306 10.783 13.115 1.00 0.00 C ATOM 1130 CD2 LEU A 69 8.762 8.988 12.274 1.00 0.00 C ATOM 0 H LEU A 69 9.979 6.834 13.211 1.00 0.00 H new ATOM 0 HA LEU A 69 11.750 8.827 14.224 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.870 8.156 14.852 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.738 9.502 15.562 1.00 0.00 H new ATOM 0 HG LEU A 69 8.354 10.351 13.843 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.962 11.403 12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.533 11.416 13.973 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.204 10.244 12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.462 9.672 11.480 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.581 8.361 11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.916 8.359 12.549 1.00 0.00 H new ATOM 1142 N GLU A 70 10.765 6.362 16.143 1.00 0.00 N ATOM 1143 CA GLU A 70 11.093 5.583 17.299 1.00 0.00 C ATOM 1144 C GLU A 70 11.449 4.185 16.870 1.00 0.00 C ATOM 1145 O GLU A 70 10.982 3.731 15.834 1.00 0.00 O ATOM 1146 CB GLU A 70 9.994 5.620 18.373 1.00 0.00 C ATOM 1147 CG GLU A 70 8.590 5.534 17.844 1.00 0.00 C ATOM 1148 CD GLU A 70 8.224 4.204 17.212 1.00 0.00 C ATOM 1149 OE1 GLU A 70 8.439 3.152 17.837 1.00 0.00 O ATOM 1150 OE2 GLU A 70 7.714 4.195 16.091 1.00 0.00 O ATOM 0 H GLU A 70 9.998 5.982 15.589 1.00 0.00 H new ATOM 0 HA GLU A 70 11.963 6.027 17.783 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.156 4.795 19.067 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.096 6.543 18.945 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.897 5.734 18.661 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.447 6.322 17.105 1.00 0.00 H new ATOM 1157 N HIS A 71 12.303 3.518 17.587 1.00 0.00 N ATOM 1158 CA HIS A 71 12.647 2.179 17.193 1.00 0.00 C ATOM 1159 C HIS A 71 12.211 1.141 18.180 1.00 0.00 C ATOM 1160 O HIS A 71 12.970 0.730 19.056 1.00 0.00 O ATOM 1161 CB HIS A 71 14.115 2.000 16.795 1.00 0.00 C ATOM 1162 CG HIS A 71 14.491 2.598 15.465 1.00 0.00 C ATOM 1163 ND1 HIS A 71 15.790 2.769 15.063 1.00 0.00 N ATOM 1164 CD2 HIS A 71 13.727 3.029 14.427 1.00 0.00 C ATOM 1165 CE1 HIS A 71 15.812 3.274 13.845 1.00 0.00 C ATOM 1166 NE2 HIS A 71 14.576 3.440 13.442 1.00 0.00 N ATOM 0 H HIS A 71 12.766 3.864 18.427 1.00 0.00 H new ATOM 0 HA HIS A 71 12.069 2.015 16.284 1.00 0.00 H new ATOM 0 HB2 HIS A 71 14.742 2.446 17.567 1.00 0.00 H new ATOM 0 HB3 HIS A 71 14.343 0.934 16.775 1.00 0.00 H new ATOM 0 HD1 HIS A 71 16.613 2.541 15.620 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.648 3.043 14.389 1.00 0.00 H new ATOM 0 HE1 HIS A 71 16.699 3.511 13.276 1.00 0.00 H new ATOM 1175 N HIS A 72 10.957 0.794 18.099 1.00 0.00 N ATOM 1176 CA HIS A 72 10.435 -0.341 18.836 1.00 0.00 C ATOM 1177 C HIS A 72 10.340 -1.499 17.868 1.00 0.00 C ATOM 1178 O HIS A 72 10.192 -2.657 18.250 1.00 0.00 O ATOM 1179 CB HIS A 72 9.074 -0.040 19.473 1.00 0.00 C ATOM 1180 CG HIS A 72 9.124 1.035 20.514 1.00 0.00 C ATOM 1181 ND1 HIS A 72 8.850 2.340 20.240 1.00 0.00 N ATOM 1182 CD2 HIS A 72 9.442 0.994 21.825 1.00 0.00 C ATOM 1183 CE1 HIS A 72 8.997 3.061 21.317 1.00 0.00 C ATOM 1184 NE2 HIS A 72 9.359 2.275 22.302 1.00 0.00 N ATOM 0 H HIS A 72 10.266 1.280 17.527 1.00 0.00 H new ATOM 0 HA HIS A 72 11.103 -0.582 19.663 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.374 0.255 18.692 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.683 -0.952 19.923 1.00 0.00 H new ATOM 0 HD1 HIS A 72 8.571 2.701 19.328 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.712 0.115 22.392 1.00 0.00 H new ATOM 0 HE1 HIS A 72 8.846 4.128 21.386 1.00 0.00 H new ATOM 1193 N HIS A 73 10.396 -1.155 16.593 1.00 0.00 N ATOM 1194 CA HIS A 73 10.496 -2.110 15.520 1.00 0.00 C ATOM 1195 C HIS A 73 11.872 -1.940 14.919 1.00 0.00 C ATOM 1196 O HIS A 73 12.044 -1.183 13.959 1.00 0.00 O ATOM 1197 CB HIS A 73 9.464 -1.861 14.397 1.00 0.00 C ATOM 1198 CG HIS A 73 8.023 -1.873 14.789 1.00 0.00 C ATOM 1199 ND1 HIS A 73 7.276 -0.731 14.882 1.00 0.00 N ATOM 1200 CD2 HIS A 73 7.171 -2.893 15.026 1.00 0.00 C ATOM 1201 CE1 HIS A 73 6.037 -1.038 15.150 1.00 0.00 C ATOM 1202 NE2 HIS A 73 5.937 -2.346 15.245 1.00 0.00 N ATOM 0 H HIS A 73 10.372 -0.186 16.276 1.00 0.00 H new ATOM 0 HA HIS A 73 10.312 -3.106 15.923 1.00 0.00 H new ATOM 0 HB2 HIS A 73 9.684 -0.895 13.942 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.612 -2.617 13.626 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.418 -3.944 15.040 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.227 -0.334 15.274 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.083 -2.865 15.448 1.00 0.00 H new ATOM 1211 N HIS A 74 12.858 -2.534 15.522 1.00 0.00 N ATOM 1212 CA HIS A 74 14.207 -2.412 15.005 1.00 0.00 C ATOM 1213 C HIS A 74 14.504 -3.531 14.039 1.00 0.00 C ATOM 1214 O HIS A 74 15.005 -3.288 12.955 1.00 0.00 O ATOM 1215 CB HIS A 74 15.259 -2.380 16.125 1.00 0.00 C ATOM 1216 CG HIS A 74 16.673 -2.303 15.603 1.00 0.00 C ATOM 1217 ND1 HIS A 74 17.555 -3.353 15.668 1.00 0.00 N ATOM 1218 CD2 HIS A 74 17.333 -1.304 14.979 1.00 0.00 C ATOM 1219 CE1 HIS A 74 18.683 -3.006 15.106 1.00 0.00 C ATOM 1220 NE2 HIS A 74 18.577 -1.770 14.679 1.00 0.00 N ATOM 0 H HIS A 74 12.766 -3.104 16.363 1.00 0.00 H new ATOM 0 HA HIS A 74 14.265 -1.459 14.479 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.069 -1.523 16.771 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.153 -3.273 16.741 1.00 0.00 H new ATOM 0 HD2 HIS A 74 16.947 -0.320 14.759 1.00 0.00 H new ATOM 0 HE1 HIS A 74 19.557 -3.633 15.009 1.00 0.00 H new ATOM 0 HE2 HIS A 74 19.308 -1.244 14.200 1.00 0.00 H new ATOM 1229 N HIS A 75 14.192 -4.744 14.460 1.00 0.00 N ATOM 1230 CA HIS A 75 14.427 -5.972 13.698 1.00 0.00 C ATOM 1231 C HIS A 75 15.913 -6.255 13.521 1.00 0.00 C ATOM 1232 O HIS A 75 16.498 -7.010 14.280 1.00 0.00 O ATOM 1233 CB HIS A 75 13.709 -5.978 12.331 1.00 0.00 C ATOM 1234 CG HIS A 75 12.231 -5.871 12.425 1.00 0.00 C ATOM 1235 ND1 HIS A 75 11.530 -4.768 12.011 1.00 0.00 N ATOM 1236 CD2 HIS A 75 11.316 -6.744 12.873 1.00 0.00 C ATOM 1237 CE1 HIS A 75 10.251 -4.971 12.199 1.00 0.00 C ATOM 1238 NE2 HIS A 75 10.093 -6.164 12.722 1.00 0.00 N ATOM 0 H HIS A 75 13.756 -4.914 15.366 1.00 0.00 H new ATOM 0 HA HIS A 75 13.993 -6.775 14.294 1.00 0.00 H new ATOM 0 HB2 HIS A 75 14.086 -5.150 11.731 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.964 -6.897 11.802 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.513 -7.725 13.278 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.460 -4.275 11.964 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.200 -6.588 12.974 1.00 0.00 H new ATOM 1247 N HIS A 76 16.513 -5.587 12.576 1.00 0.00 N ATOM 1248 CA HIS A 76 17.885 -5.800 12.182 1.00 0.00 C ATOM 1249 C HIS A 76 18.286 -4.617 11.339 1.00 0.00 C ATOM 1250 O HIS A 76 17.809 -4.531 10.202 1.00 0.00 O ATOM 1251 CB HIS A 76 18.002 -7.114 11.366 1.00 0.00 C ATOM 1252 CG HIS A 76 19.374 -7.428 10.826 1.00 0.00 C ATOM 1253 ND1 HIS A 76 19.750 -7.156 9.533 1.00 0.00 N ATOM 1254 CD2 HIS A 76 20.444 -8.021 11.404 1.00 0.00 C ATOM 1255 CE1 HIS A 76 20.981 -7.561 9.341 1.00 0.00 C ATOM 1256 NE2 HIS A 76 21.430 -8.091 10.457 1.00 0.00 N ATOM 1257 OXT HIS A 76 19.049 -3.754 11.807 1.00 0.00 O ATOM 0 H HIS A 76 16.049 -4.855 12.039 1.00 0.00 H new ATOM 0 HA HIS A 76 18.537 -5.891 13.051 1.00 0.00 H new ATOM 0 HB2 HIS A 76 17.682 -7.942 11.998 1.00 0.00 H new ATOM 0 HB3 HIS A 76 17.305 -7.064 10.529 1.00 0.00 H new ATOM 0 HD2 HIS A 76 20.508 -8.373 12.423 1.00 0.00 H new ATOM 0 HE1 HIS A 76 21.535 -7.474 8.418 1.00 0.00 H new ATOM 0 HE2 HIS A 76 22.359 -8.489 10.595 1.00 0.00 H new TER 1266 HIS A 76