USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 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 11 LYS NZ :NH3+ 143:sc= 2.36 (180deg=1.11) USER MOD Set 1.2: A 46 TYR OH : rot -140:sc= 0.949 USER MOD Set 2.1: A 6 CYS SG : rot 170:sc= -0.244 USER MOD Set 2.2: A 32 THR OG1 : rot -105:sc= 0.767 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -132:sc= 0.594 (180deg=-0.947!) USER MOD Set 3.2: A 25 TYR OH : rot 91:sc= 0.99 USER MOD Set 3.3: A 45 TYR OH : rot -144:sc= 1.25 USER MOD Set 4.1: A 15 LYS NZ :NH3+ -146:sc= 1.19 (180deg=-0.0113) USER MOD Set 4.2: A 22 GLN : amide:sc= -0.0369 K(o=1.2,f=-6.2) USER MOD Single : A 1 GLU N :NH3+ -173:sc= 0.74 (180deg=0.276) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.0777 (180deg=-0.495) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 10 THR OG1 : rot 96:sc= 0.956 USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 0.954 (180deg=0.0958!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= -0.0283 (180deg=-0.27) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -160:sc= 0.21 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -15:sc= 0.149 USER MOD Single : A 41 TYR OH : rot 120:sc= 0.0342 USER MOD Single : A 44 HIS : no HE2:sc= 0.69 K(o=0.69,f=-4!) USER MOD Single : A 49 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.18) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.115 K(o=-0.11,f=-0.75) USER MOD Single : A 73 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.012) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.075 -13.246 -16.563 1.00 0.00 N ATOM 2 CA GLU A 1 10.510 -12.040 -17.170 1.00 0.00 C ATOM 3 C GLU A 1 10.982 -10.845 -16.409 1.00 0.00 C ATOM 4 O GLU A 1 11.427 -10.966 -15.267 1.00 0.00 O ATOM 5 CB GLU A 1 8.953 -12.034 -17.178 1.00 0.00 C ATOM 6 CG GLU A 1 8.274 -13.095 -18.039 1.00 0.00 C ATOM 7 CD GLU A 1 8.517 -14.482 -17.547 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.577 -15.036 -17.852 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.678 -15.022 -16.795 1.00 0.00 O ATOM 0 H1 GLU A 1 10.849 -14.071 -17.155 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.107 -13.146 -16.488 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.670 -13.379 -15.614 1.00 0.00 H new ATOM 0 HA GLU A 1 10.846 -12.018 -18.207 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.606 -12.154 -16.152 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.617 -11.054 -17.516 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.201 -12.905 -18.062 1.00 0.00 H new ATOM 0 HG3 GLU A 1 8.635 -13.010 -19.064 1.00 0.00 H new ATOM 18 N ASP A 2 10.892 -9.708 -17.015 1.00 0.00 N ATOM 19 CA ASP A 2 11.210 -8.480 -16.356 1.00 0.00 C ATOM 20 C ASP A 2 10.014 -7.583 -16.471 1.00 0.00 C ATOM 21 O ASP A 2 9.854 -6.869 -17.448 1.00 0.00 O ATOM 22 CB ASP A 2 12.445 -7.809 -16.957 1.00 0.00 C ATOM 23 CG ASP A 2 12.862 -6.578 -16.183 1.00 0.00 C ATOM 24 OD1 ASP A 2 13.471 -6.733 -15.107 1.00 0.00 O ATOM 25 OD2 ASP A 2 12.605 -5.445 -16.628 1.00 0.00 O ATOM 0 H ASP A 2 10.595 -9.601 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 2 11.448 -8.680 -15.311 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.270 -8.521 -16.975 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.239 -7.533 -17.991 1.00 0.00 H new ATOM 30 N MET A 3 9.120 -7.715 -15.540 1.00 0.00 N ATOM 31 CA MET A 3 7.915 -6.938 -15.535 1.00 0.00 C ATOM 32 C MET A 3 7.705 -6.378 -14.164 1.00 0.00 C ATOM 33 O MET A 3 7.478 -7.119 -13.210 1.00 0.00 O ATOM 34 CB MET A 3 6.704 -7.790 -15.944 1.00 0.00 C ATOM 35 CG MET A 3 5.388 -7.012 -16.007 1.00 0.00 C ATOM 36 SD MET A 3 3.968 -8.044 -16.464 1.00 0.00 S ATOM 37 CE MET A 3 3.906 -9.184 -15.071 1.00 0.00 C ATOM 0 H MET A 3 9.204 -8.366 -14.759 1.00 0.00 H new ATOM 0 HA MET A 3 8.014 -6.129 -16.259 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.898 -8.234 -16.920 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.595 -8.611 -15.236 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.198 -6.553 -15.037 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.487 -6.201 -16.729 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.927 -9.661 -15.035 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.676 -9.946 -15.190 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.077 -8.636 -14.144 1.00 0.00 H new ATOM 47 N GLU A 4 7.830 -5.097 -14.057 1.00 0.00 N ATOM 48 CA GLU A 4 7.623 -4.405 -12.815 1.00 0.00 C ATOM 49 C GLU A 4 6.642 -3.287 -13.074 1.00 0.00 C ATOM 50 O GLU A 4 7.031 -2.238 -13.601 1.00 0.00 O ATOM 51 CB GLU A 4 8.945 -3.858 -12.286 1.00 0.00 C ATOM 52 CG GLU A 4 9.983 -4.936 -12.048 1.00 0.00 C ATOM 53 CD GLU A 4 11.316 -4.374 -11.695 1.00 0.00 C ATOM 54 OE1 GLU A 4 12.018 -3.907 -12.599 1.00 0.00 O ATOM 55 OE2 GLU A 4 11.707 -4.408 -10.510 1.00 0.00 O ATOM 0 H GLU A 4 8.082 -4.488 -14.835 1.00 0.00 H new ATOM 0 HA GLU A 4 7.227 -5.083 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.341 -3.132 -12.996 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.763 -3.325 -11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.644 -5.592 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.077 -5.550 -12.944 1.00 0.00 H new ATOM 62 N PRO A 5 5.342 -3.556 -12.825 1.00 0.00 N ATOM 63 CA PRO A 5 4.248 -2.607 -13.041 1.00 0.00 C ATOM 64 C PRO A 5 4.547 -1.169 -12.612 1.00 0.00 C ATOM 65 O PRO A 5 4.797 -0.310 -13.461 1.00 0.00 O ATOM 66 CB PRO A 5 3.109 -3.202 -12.228 1.00 0.00 C ATOM 67 CG PRO A 5 3.333 -4.667 -12.323 1.00 0.00 C ATOM 68 CD PRO A 5 4.827 -4.862 -12.348 1.00 0.00 C ATOM 0 HA PRO A 5 4.034 -2.497 -14.104 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.135 -2.860 -11.193 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.138 -2.919 -12.633 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.887 -5.185 -11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.872 -5.074 -13.223 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.215 -5.109 -11.360 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.114 -5.674 -13.016 1.00 0.00 H new ATOM 76 N CYS A 6 4.580 -0.930 -11.323 1.00 0.00 N ATOM 77 CA CYS A 6 4.793 0.404 -10.789 1.00 0.00 C ATOM 78 C CYS A 6 4.905 0.292 -9.268 1.00 0.00 C ATOM 79 O CYS A 6 3.986 -0.227 -8.632 1.00 0.00 O ATOM 80 CB CYS A 6 3.588 1.303 -11.182 1.00 0.00 C ATOM 81 SG CYS A 6 3.801 3.085 -10.953 1.00 0.00 S ATOM 0 H CYS A 6 4.461 -1.651 -10.611 1.00 0.00 H new ATOM 0 HA CYS A 6 5.704 0.847 -11.191 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.353 1.120 -12.230 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.722 0.986 -10.601 1.00 0.00 H new ATOM 0 HG CYS A 6 2.813 3.716 -11.515 1.00 0.00 H new ATOM 87 N LEU A 7 6.072 0.693 -8.715 1.00 0.00 N ATOM 88 CA LEU A 7 6.358 0.680 -7.245 1.00 0.00 C ATOM 89 C LEU A 7 6.259 -0.724 -6.630 1.00 0.00 C ATOM 90 O LEU A 7 6.179 -0.877 -5.399 1.00 0.00 O ATOM 91 CB LEU A 7 5.453 1.667 -6.443 1.00 0.00 C ATOM 92 CG LEU A 7 5.712 3.188 -6.580 1.00 0.00 C ATOM 93 CD1 LEU A 7 7.167 3.540 -6.315 1.00 0.00 C ATOM 94 CD2 LEU A 7 5.235 3.745 -7.910 1.00 0.00 C ATOM 0 H LEU A 7 6.853 1.039 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 7 7.391 1.018 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.420 1.480 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.538 1.410 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 7 5.113 3.671 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.306 4.616 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.436 3.237 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.803 3.019 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.442 4.814 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.758 3.242 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.163 3.578 -8.011 1.00 0.00 H new ATOM 106 N THR A 8 6.361 -1.724 -7.461 1.00 0.00 N ATOM 107 CA THR A 8 6.146 -3.085 -7.078 1.00 0.00 C ATOM 108 C THR A 8 7.185 -3.645 -6.115 1.00 0.00 C ATOM 109 O THR A 8 8.362 -3.274 -6.145 1.00 0.00 O ATOM 110 CB THR A 8 6.012 -3.943 -8.322 1.00 0.00 C ATOM 111 OG1 THR A 8 6.924 -3.463 -9.333 1.00 0.00 O ATOM 112 CG2 THR A 8 4.609 -3.853 -8.832 1.00 0.00 C ATOM 0 H THR A 8 6.602 -1.609 -8.445 1.00 0.00 H new ATOM 0 HA THR A 8 5.217 -3.108 -6.509 1.00 0.00 H new ATOM 0 HB THR A 8 6.248 -4.980 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.841 -4.016 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.507 -4.468 -9.726 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.920 -4.209 -8.066 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.376 -2.816 -9.076 1.00 0.00 H new ATOM 120 N GLY A 9 6.718 -4.492 -5.216 1.00 0.00 N ATOM 121 CA GLY A 9 7.586 -5.111 -4.243 1.00 0.00 C ATOM 122 C GLY A 9 7.556 -4.367 -2.935 1.00 0.00 C ATOM 123 O GLY A 9 7.611 -4.970 -1.861 1.00 0.00 O ATOM 0 H GLY A 9 5.738 -4.765 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.279 -6.145 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.606 -5.137 -4.626 1.00 0.00 H new ATOM 127 N THR A 10 7.438 -3.065 -3.031 1.00 0.00 N ATOM 128 CA THR A 10 7.415 -2.196 -1.891 1.00 0.00 C ATOM 129 C THR A 10 6.209 -2.497 -1.004 1.00 0.00 C ATOM 130 O THR A 10 5.066 -2.602 -1.496 1.00 0.00 O ATOM 131 CB THR A 10 7.308 -0.736 -2.359 1.00 0.00 C ATOM 132 OG1 THR A 10 8.187 -0.535 -3.484 1.00 0.00 O ATOM 133 CG2 THR A 10 7.705 0.222 -1.238 1.00 0.00 C ATOM 0 H THR A 10 7.354 -2.576 -3.922 1.00 0.00 H new ATOM 0 HA THR A 10 8.333 -2.356 -1.326 1.00 0.00 H new ATOM 0 HB THR A 10 6.275 -0.535 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.679 -0.631 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.622 1.250 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.043 0.077 -0.384 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.734 0.024 -0.937 1.00 0.00 H new ATOM 141 N LYS A 11 6.455 -2.690 0.260 1.00 0.00 N ATOM 142 CA LYS A 11 5.386 -2.812 1.189 1.00 0.00 C ATOM 143 C LYS A 11 5.160 -1.460 1.813 1.00 0.00 C ATOM 144 O LYS A 11 6.106 -0.790 2.250 1.00 0.00 O ATOM 145 CB LYS A 11 5.617 -3.877 2.268 1.00 0.00 C ATOM 146 CG LYS A 11 6.846 -3.656 3.137 1.00 0.00 C ATOM 147 CD LYS A 11 6.774 -4.439 4.439 1.00 0.00 C ATOM 148 CE LYS A 11 5.640 -3.927 5.321 1.00 0.00 C ATOM 149 NZ LYS A 11 5.622 -4.567 6.642 1.00 0.00 N ATOM 0 H LYS A 11 7.389 -2.765 0.664 1.00 0.00 H new ATOM 0 HA LYS A 11 4.504 -3.151 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.738 -3.917 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.703 -4.850 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.738 -3.952 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.947 -2.593 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.623 -5.497 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.721 -4.354 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.739 -2.849 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.687 -4.105 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.345 -3.869 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.938 -5.351 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.569 -4.935 6.862 1.00 0.00 H new ATOM 163 N VAL A 12 3.959 -1.043 1.808 1.00 0.00 N ATOM 164 CA VAL A 12 3.601 0.239 2.331 1.00 0.00 C ATOM 165 C VAL A 12 2.576 0.079 3.419 1.00 0.00 C ATOM 166 O VAL A 12 2.083 -1.024 3.660 1.00 0.00 O ATOM 167 CB VAL A 12 3.015 1.143 1.231 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.034 1.376 0.135 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.730 0.539 0.655 1.00 0.00 C ATOM 0 H VAL A 12 3.174 -1.579 1.438 1.00 0.00 H new ATOM 0 HA VAL A 12 4.505 0.702 2.728 1.00 0.00 H new ATOM 0 HB VAL A 12 2.765 2.105 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.602 2.017 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.917 1.858 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.318 0.421 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.335 1.196 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.948 -0.439 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.991 0.430 1.449 1.00 0.00 H new ATOM 179 N LYS A 13 2.256 1.151 4.060 1.00 0.00 N ATOM 180 CA LYS A 13 1.229 1.143 5.039 1.00 0.00 C ATOM 181 C LYS A 13 0.179 2.106 4.571 1.00 0.00 C ATOM 182 O LYS A 13 0.504 3.136 4.012 1.00 0.00 O ATOM 183 CB LYS A 13 1.790 1.491 6.417 1.00 0.00 C ATOM 184 CG LYS A 13 0.815 1.290 7.571 1.00 0.00 C ATOM 185 CD LYS A 13 1.540 1.221 8.912 1.00 0.00 C ATOM 186 CE LYS A 13 2.369 2.457 9.176 1.00 0.00 C ATOM 187 NZ LYS A 13 3.126 2.358 10.434 1.00 0.00 N ATOM 0 H LYS A 13 2.701 2.058 3.918 1.00 0.00 H new ATOM 0 HA LYS A 13 0.787 0.153 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.676 0.882 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.114 2.532 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.096 2.109 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.249 0.371 7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.810 1.097 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.185 0.342 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.061 2.612 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.716 3.329 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.925 3.024 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.503 2.591 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.486 1.389 10.547 1.00 0.00 H new ATOM 201 N VAL A 14 -1.043 1.749 4.725 1.00 0.00 N ATOM 202 CA VAL A 14 -2.139 2.530 4.221 1.00 0.00 C ATOM 203 C VAL A 14 -3.042 2.979 5.356 1.00 0.00 C ATOM 204 O VAL A 14 -3.376 2.191 6.251 1.00 0.00 O ATOM 205 CB VAL A 14 -2.984 1.713 3.193 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.142 2.540 2.652 1.00 0.00 C ATOM 207 CG2 VAL A 14 -2.114 1.194 2.045 1.00 0.00 C ATOM 0 H VAL A 14 -1.326 0.897 5.209 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.717 3.403 3.723 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.396 0.853 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.712 1.945 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.791 2.840 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.753 3.428 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.732 0.629 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.656 2.036 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.333 0.546 2.444 1.00 0.00 H new ATOM 217 N LYS A 15 -3.418 4.232 5.323 1.00 0.00 N ATOM 218 CA LYS A 15 -4.349 4.783 6.264 1.00 0.00 C ATOM 219 C LYS A 15 -5.621 5.044 5.518 1.00 0.00 C ATOM 220 O LYS A 15 -5.710 6.003 4.781 1.00 0.00 O ATOM 221 CB LYS A 15 -3.839 6.118 6.833 1.00 0.00 C ATOM 222 CG LYS A 15 -4.736 6.733 7.925 1.00 0.00 C ATOM 223 CD LYS A 15 -4.159 8.051 8.440 1.00 0.00 C ATOM 224 CE LYS A 15 -5.015 8.684 9.551 1.00 0.00 C ATOM 225 NZ LYS A 15 -6.382 9.052 9.099 1.00 0.00 N ATOM 0 H LYS A 15 -3.080 4.903 4.633 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.488 4.088 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.841 5.965 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.741 6.833 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.735 6.903 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.839 6.031 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.151 7.878 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.072 8.753 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.091 7.986 10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.511 9.575 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.691 9.913 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.373 9.227 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.039 8.275 9.312 1.00 0.00 H new ATOM 239 N TYR A 16 -6.589 4.225 5.702 1.00 0.00 N ATOM 240 CA TYR A 16 -7.832 4.399 5.039 1.00 0.00 C ATOM 241 C TYR A 16 -8.759 4.877 6.114 1.00 0.00 C ATOM 242 O TYR A 16 -9.023 4.141 7.065 1.00 0.00 O ATOM 243 CB TYR A 16 -8.285 3.048 4.482 1.00 0.00 C ATOM 244 CG TYR A 16 -9.195 3.127 3.275 1.00 0.00 C ATOM 245 CD1 TYR A 16 -10.504 3.547 3.388 1.00 0.00 C ATOM 246 CD2 TYR A 16 -8.731 2.746 2.019 1.00 0.00 C ATOM 247 CE1 TYR A 16 -11.338 3.587 2.286 1.00 0.00 C ATOM 248 CE2 TYR A 16 -9.554 2.787 0.905 1.00 0.00 C ATOM 249 CZ TYR A 16 -10.858 3.208 1.049 1.00 0.00 C ATOM 250 OH TYR A 16 -11.690 3.249 -0.048 1.00 0.00 O ATOM 0 H TYR A 16 -6.544 3.413 6.317 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.792 5.098 4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.402 2.467 4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.800 2.501 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.884 3.849 4.353 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.710 2.412 1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.362 3.914 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.178 2.493 -0.064 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.199 2.952 -0.842 1.00 0.00 H new ATOM 260 N GLY A 17 -9.150 6.139 6.029 1.00 0.00 N ATOM 261 CA GLY A 17 -9.905 6.742 7.089 1.00 0.00 C ATOM 262 C GLY A 17 -11.219 7.353 6.684 1.00 0.00 C ATOM 263 O GLY A 17 -11.270 8.296 5.893 1.00 0.00 O ATOM 0 H GLY A 17 -8.953 6.753 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.095 5.986 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.293 7.515 7.553 1.00 0.00 H new ATOM 267 N ARG A 18 -12.249 6.793 7.221 1.00 0.00 N ATOM 268 CA ARG A 18 -13.617 7.239 7.126 1.00 0.00 C ATOM 269 C ARG A 18 -14.178 6.996 8.509 1.00 0.00 C ATOM 270 O ARG A 18 -13.499 6.343 9.307 1.00 0.00 O ATOM 271 CB ARG A 18 -14.454 6.425 6.129 1.00 0.00 C ATOM 272 CG ARG A 18 -13.903 6.296 4.716 1.00 0.00 C ATOM 273 CD ARG A 18 -14.930 5.616 3.829 1.00 0.00 C ATOM 274 NE ARG A 18 -14.498 5.470 2.440 1.00 0.00 N ATOM 275 CZ ARG A 18 -15.255 4.927 1.467 1.00 0.00 C ATOM 276 NH1 ARG A 18 -16.468 4.440 1.756 1.00 0.00 N ATOM 277 NH2 ARG A 18 -14.790 4.849 0.218 1.00 0.00 N ATOM 0 H ARG A 18 -12.161 5.946 7.783 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.651 8.273 6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.586 5.422 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.444 6.877 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.660 7.281 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.978 5.719 4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.154 4.630 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.857 6.190 3.854 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.565 5.800 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.819 4.480 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.041 4.029 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.858 5.201 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.366 4.437 -0.516 1.00 0.00 H new ATOM 291 N GLY A 19 -15.362 7.523 8.804 1.00 0.00 N ATOM 292 CA GLY A 19 -15.988 7.358 10.124 1.00 0.00 C ATOM 293 C GLY A 19 -15.922 5.927 10.662 1.00 0.00 C ATOM 294 O GLY A 19 -15.433 5.697 11.777 1.00 0.00 O ATOM 0 H GLY A 19 -15.915 8.072 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.500 8.026 10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.032 7.666 10.062 1.00 0.00 H new ATOM 298 N LYS A 20 -16.400 4.984 9.884 1.00 0.00 N ATOM 299 CA LYS A 20 -16.309 3.582 10.238 1.00 0.00 C ATOM 300 C LYS A 20 -15.073 2.965 9.596 1.00 0.00 C ATOM 301 O LYS A 20 -14.302 2.240 10.250 1.00 0.00 O ATOM 302 CB LYS A 20 -17.570 2.801 9.804 1.00 0.00 C ATOM 303 CG LYS A 20 -17.468 1.293 10.044 1.00 0.00 C ATOM 304 CD LYS A 20 -17.377 0.950 11.526 1.00 0.00 C ATOM 305 CE LYS A 20 -16.949 -0.499 11.747 1.00 0.00 C ATOM 306 NZ LYS A 20 -15.544 -0.737 11.321 1.00 0.00 N ATOM 0 H LYS A 20 -16.861 5.163 8.992 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.232 3.516 11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.432 3.189 10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.752 2.981 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.338 0.798 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.590 0.903 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.664 1.617 12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.345 1.119 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.055 -0.751 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.613 -1.162 11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.528 -1.436 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.127 0.155 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.993 -1.096 12.127 1.00 0.00 H new ATOM 320 N THR A 21 -14.879 3.259 8.325 1.00 0.00 N ATOM 321 CA THR A 21 -13.792 2.700 7.553 1.00 0.00 C ATOM 322 C THR A 21 -12.440 3.391 7.879 1.00 0.00 C ATOM 323 O THR A 21 -11.869 4.073 7.049 1.00 0.00 O ATOM 324 CB THR A 21 -14.112 2.833 6.045 1.00 0.00 C ATOM 325 OG1 THR A 21 -15.465 2.415 5.810 1.00 0.00 O ATOM 326 CG2 THR A 21 -13.182 1.985 5.194 1.00 0.00 C ATOM 0 H THR A 21 -15.476 3.896 7.798 1.00 0.00 H new ATOM 0 HA THR A 21 -13.691 1.647 7.818 1.00 0.00 H new ATOM 0 HB THR A 21 -13.974 3.877 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.672 2.499 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.440 2.106 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.152 2.302 5.354 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.287 0.937 5.475 1.00 0.00 H new ATOM 334 N GLN A 22 -11.993 3.260 9.106 1.00 0.00 N ATOM 335 CA GLN A 22 -10.702 3.756 9.519 1.00 0.00 C ATOM 336 C GLN A 22 -9.905 2.656 10.140 1.00 0.00 C ATOM 337 O GLN A 22 -10.162 2.222 11.274 1.00 0.00 O ATOM 338 CB GLN A 22 -10.777 4.980 10.441 1.00 0.00 C ATOM 339 CG GLN A 22 -9.424 5.411 11.059 1.00 0.00 C ATOM 340 CD GLN A 22 -8.329 5.787 10.055 1.00 0.00 C ATOM 341 OE1 GLN A 22 -8.199 6.938 9.631 1.00 0.00 O ATOM 342 NE2 GLN A 22 -7.496 4.835 9.711 1.00 0.00 N ATOM 0 H GLN A 22 -12.519 2.803 9.851 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.197 4.104 8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.186 5.818 9.877 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.478 4.767 11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.599 6.264 11.715 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.055 4.598 11.685 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.623 3.890 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.721 5.039 9.080 1.00 0.00 H new ATOM 351 N LYS A 23 -8.961 2.204 9.384 1.00 0.00 N ATOM 352 CA LYS A 23 -8.048 1.184 9.774 1.00 0.00 C ATOM 353 C LYS A 23 -6.771 1.355 8.993 1.00 0.00 C ATOM 354 O LYS A 23 -6.798 1.732 7.813 1.00 0.00 O ATOM 355 CB LYS A 23 -8.638 -0.272 9.673 1.00 0.00 C ATOM 356 CG LYS A 23 -9.171 -0.776 8.309 1.00 0.00 C ATOM 357 CD LYS A 23 -10.399 -0.009 7.836 1.00 0.00 C ATOM 358 CE LYS A 23 -11.244 -0.806 6.849 1.00 0.00 C ATOM 359 NZ LYS A 23 -10.525 -1.230 5.630 1.00 0.00 N ATOM 0 H LYS A 23 -8.799 2.550 8.438 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.839 1.302 10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.862 -0.964 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.454 -0.347 10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.383 -0.688 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.418 -1.835 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.010 0.259 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.083 0.923 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.631 -1.691 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.104 -0.204 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.098 -1.002 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.614 -0.731 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.356 -2.256 5.666 1.00 0.00 H new ATOM 373 N ILE A 24 -5.678 1.184 9.670 1.00 0.00 N ATOM 374 CA ILE A 24 -4.375 1.314 9.100 1.00 0.00 C ATOM 375 C ILE A 24 -3.785 -0.075 8.992 1.00 0.00 C ATOM 376 O ILE A 24 -3.804 -0.848 9.959 1.00 0.00 O ATOM 377 CB ILE A 24 -3.489 2.196 10.011 1.00 0.00 C ATOM 378 CG1 ILE A 24 -4.176 3.545 10.248 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.110 2.407 9.391 1.00 0.00 C ATOM 380 CD1 ILE A 24 -3.540 4.368 11.333 1.00 0.00 C ATOM 0 H ILE A 24 -5.669 0.944 10.661 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.429 1.784 8.118 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.355 1.687 10.965 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.166 4.115 9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.221 3.370 10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.506 3.030 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.621 1.442 9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.217 2.899 8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.082 5.308 11.442 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.574 3.819 12.274 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.502 4.576 11.071 1.00 0.00 H new ATOM 392 N TYR A 25 -3.303 -0.388 7.838 1.00 0.00 N ATOM 393 CA TYR A 25 -2.788 -1.702 7.517 1.00 0.00 C ATOM 394 C TYR A 25 -1.634 -1.613 6.559 1.00 0.00 C ATOM 395 O TYR A 25 -1.435 -0.590 5.928 1.00 0.00 O ATOM 396 CB TYR A 25 -3.897 -2.639 6.959 1.00 0.00 C ATOM 397 CG TYR A 25 -5.042 -1.985 6.176 1.00 0.00 C ATOM 398 CD1 TYR A 25 -4.870 -0.845 5.381 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.307 -2.528 6.254 1.00 0.00 C ATOM 400 CE1 TYR A 25 -5.935 -0.286 4.698 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.357 -1.982 5.580 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.178 -0.866 4.806 1.00 0.00 C ATOM 403 OH TYR A 25 -8.257 -0.336 4.135 1.00 0.00 O ATOM 0 H TYR A 25 -3.249 0.271 7.062 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.427 -2.140 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.422 -3.375 6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.330 -3.185 7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.891 -0.396 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.469 -3.405 6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.793 0.594 4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.336 -2.431 5.656 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.338 -0.763 3.257 1.00 0.00 H new ATOM 413 N GLU A 26 -0.891 -2.678 6.448 1.00 0.00 N ATOM 414 CA GLU A 26 0.267 -2.731 5.586 1.00 0.00 C ATOM 415 C GLU A 26 -0.024 -3.610 4.387 1.00 0.00 C ATOM 416 O GLU A 26 -0.612 -4.694 4.523 1.00 0.00 O ATOM 417 CB GLU A 26 1.470 -3.248 6.363 1.00 0.00 C ATOM 418 CG GLU A 26 1.859 -2.351 7.522 1.00 0.00 C ATOM 419 CD GLU A 26 2.938 -2.940 8.375 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.122 -2.851 8.000 1.00 0.00 O ATOM 421 OE2 GLU A 26 2.622 -3.498 9.452 1.00 0.00 O ATOM 0 H GLU A 26 -1.070 -3.544 6.956 1.00 0.00 H new ATOM 0 HA GLU A 26 0.498 -1.728 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.249 -4.246 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.318 -3.345 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.193 -1.389 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.980 -2.159 8.137 1.00 0.00 H new ATOM 428 N ALA A 27 0.379 -3.152 3.231 1.00 0.00 N ATOM 429 CA ALA A 27 0.093 -3.827 1.993 1.00 0.00 C ATOM 430 C ALA A 27 1.277 -3.799 1.069 1.00 0.00 C ATOM 431 O ALA A 27 2.146 -2.967 1.206 1.00 0.00 O ATOM 432 CB ALA A 27 -1.080 -3.165 1.314 1.00 0.00 C ATOM 0 H ALA A 27 0.919 -2.294 3.122 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.142 -4.866 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.295 -3.678 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.953 -3.217 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.841 -2.121 1.110 1.00 0.00 H new ATOM 438 N SER A 28 1.305 -4.702 0.146 1.00 0.00 N ATOM 439 CA SER A 28 2.341 -4.738 -0.844 1.00 0.00 C ATOM 440 C SER A 28 1.771 -4.195 -2.168 1.00 0.00 C ATOM 441 O SER A 28 0.607 -4.478 -2.508 1.00 0.00 O ATOM 442 CB SER A 28 2.792 -6.175 -1.028 1.00 0.00 C ATOM 443 OG SER A 28 2.907 -6.849 0.235 1.00 0.00 O ATOM 0 H SER A 28 0.609 -5.441 0.053 1.00 0.00 H new ATOM 0 HA SER A 28 3.191 -4.130 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.080 -6.704 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.753 -6.194 -1.542 1.00 0.00 H new ATOM 0 HG SER A 28 3.483 -7.635 0.135 1.00 0.00 H new ATOM 449 N ILE A 29 2.555 -3.396 -2.878 1.00 0.00 N ATOM 450 CA ILE A 29 2.112 -2.803 -4.139 1.00 0.00 C ATOM 451 C ILE A 29 2.188 -3.838 -5.269 1.00 0.00 C ATOM 452 O ILE A 29 3.250 -4.442 -5.497 1.00 0.00 O ATOM 453 CB ILE A 29 2.988 -1.579 -4.543 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.122 -0.563 -3.389 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.418 -0.893 -5.787 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.814 0.007 -2.892 1.00 0.00 C ATOM 0 H ILE A 29 3.504 -3.141 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 29 1.084 -2.472 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 29 3.985 -1.957 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.632 -1.046 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.758 0.258 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.044 -0.041 -6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.398 -1.601 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.405 -0.548 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.008 0.710 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.309 0.524 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.180 -0.801 -2.527 1.00 0.00 H new ATOM 468 N LYS A 30 1.072 -4.051 -5.959 1.00 0.00 N ATOM 469 CA LYS A 30 1.048 -4.978 -7.081 1.00 0.00 C ATOM 470 C LYS A 30 1.071 -4.188 -8.384 1.00 0.00 C ATOM 471 O LYS A 30 1.691 -4.596 -9.353 1.00 0.00 O ATOM 472 CB LYS A 30 -0.219 -5.844 -7.046 1.00 0.00 C ATOM 473 CG LYS A 30 -0.030 -7.308 -7.492 1.00 0.00 C ATOM 474 CD LYS A 30 0.509 -7.511 -8.917 1.00 0.00 C ATOM 475 CE LYS A 30 -0.481 -7.096 -10.000 1.00 0.00 C ATOM 476 NZ LYS A 30 0.048 -7.370 -11.356 1.00 0.00 N ATOM 0 H LYS A 30 0.180 -3.598 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 30 1.921 -5.628 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.614 -5.839 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.973 -5.382 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.651 -7.795 -6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.989 -7.819 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.428 -6.938 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.768 -8.561 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.420 -7.632 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.703 -6.033 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.651 -7.075 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.931 -6.839 -11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.236 -8.388 -11.456 1.00 0.00 H new ATOM 490 N SER A 31 0.355 -3.082 -8.418 1.00 0.00 N ATOM 491 CA SER A 31 0.272 -2.230 -9.602 1.00 0.00 C ATOM 492 C SER A 31 -0.210 -0.851 -9.193 1.00 0.00 C ATOM 493 O SER A 31 -0.650 -0.662 -8.052 1.00 0.00 O ATOM 494 CB SER A 31 -0.707 -2.829 -10.636 1.00 0.00 C ATOM 495 OG SER A 31 -0.298 -4.122 -11.051 1.00 0.00 O ATOM 0 H SER A 31 -0.190 -2.742 -7.626 1.00 0.00 H new ATOM 0 HA SER A 31 1.261 -2.162 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.706 -2.884 -10.204 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.770 -2.171 -11.502 1.00 0.00 H new ATOM 0 HG SER A 31 0.636 -4.269 -10.792 1.00 0.00 H new ATOM 501 N THR A 32 -0.107 0.105 -10.089 1.00 0.00 N ATOM 502 CA THR A 32 -0.600 1.442 -9.856 1.00 0.00 C ATOM 503 C THR A 32 -1.159 1.949 -11.163 1.00 0.00 C ATOM 504 O THR A 32 -0.725 1.501 -12.222 1.00 0.00 O ATOM 505 CB THR A 32 0.535 2.393 -9.452 1.00 0.00 C ATOM 506 OG1 THR A 32 1.438 1.732 -8.571 1.00 0.00 O ATOM 507 CG2 THR A 32 -0.024 3.570 -8.727 1.00 0.00 C ATOM 0 H THR A 32 0.324 -0.025 -11.004 1.00 0.00 H new ATOM 0 HA THR A 32 -1.342 1.411 -9.058 1.00 0.00 H new ATOM 0 HB THR A 32 1.052 2.710 -10.358 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.295 2.051 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.787 4.241 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.722 4.099 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.545 3.232 -7.832 1.00 0.00 H new ATOM 515 N GLU A 33 -2.120 2.812 -11.103 1.00 0.00 N ATOM 516 CA GLU A 33 -2.607 3.450 -12.272 1.00 0.00 C ATOM 517 C GLU A 33 -3.194 4.771 -11.913 1.00 0.00 C ATOM 518 O GLU A 33 -3.432 5.056 -10.751 1.00 0.00 O ATOM 519 CB GLU A 33 -3.612 2.614 -13.035 1.00 0.00 C ATOM 520 CG GLU A 33 -5.000 2.489 -12.431 1.00 0.00 C ATOM 521 CD GLU A 33 -5.951 1.805 -13.385 1.00 0.00 C ATOM 522 OE1 GLU A 33 -6.504 2.483 -14.277 1.00 0.00 O ATOM 523 OE2 GLU A 33 -6.132 0.576 -13.298 1.00 0.00 O ATOM 0 H GLU A 33 -2.587 3.092 -10.240 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.757 3.587 -12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.714 3.035 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.201 1.611 -13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.945 1.924 -11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.381 3.479 -12.181 1.00 0.00 H new ATOM 530 N ILE A 34 -3.399 5.575 -12.887 1.00 0.00 N ATOM 531 CA ILE A 34 -3.973 6.853 -12.683 1.00 0.00 C ATOM 532 C ILE A 34 -5.357 6.796 -13.251 1.00 0.00 C ATOM 533 O ILE A 34 -5.541 6.644 -14.465 1.00 0.00 O ATOM 534 CB ILE A 34 -3.173 8.010 -13.362 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.737 8.158 -12.807 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.912 9.332 -13.194 1.00 0.00 C ATOM 537 CD1 ILE A 34 -0.807 6.988 -13.046 1.00 0.00 C ATOM 0 H ILE A 34 -3.171 5.364 -13.859 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.965 7.076 -11.616 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.093 7.750 -14.418 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.289 9.048 -13.248 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.801 8.332 -11.733 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.344 10.130 -13.672 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.896 9.260 -13.657 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.026 9.553 -12.133 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.170 7.205 -12.613 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.220 6.094 -12.579 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.700 6.821 -14.118 1.00 0.00 H new ATOM 549 N ASP A 35 -6.303 6.880 -12.406 1.00 0.00 N ATOM 550 CA ASP A 35 -7.682 6.773 -12.797 1.00 0.00 C ATOM 551 C ASP A 35 -8.462 7.843 -12.106 1.00 0.00 C ATOM 552 O ASP A 35 -8.235 8.115 -10.926 1.00 0.00 O ATOM 553 CB ASP A 35 -8.250 5.385 -12.473 1.00 0.00 C ATOM 554 CG ASP A 35 -9.673 5.217 -12.956 1.00 0.00 C ATOM 555 OD1 ASP A 35 -9.896 5.177 -14.182 1.00 0.00 O ATOM 556 OD2 ASP A 35 -10.598 5.125 -12.128 1.00 0.00 O ATOM 0 H ASP A 35 -6.160 7.027 -11.407 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.758 6.903 -13.877 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.621 4.622 -12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.213 5.223 -11.396 1.00 0.00 H new ATOM 561 N ASP A 36 -9.301 8.508 -12.870 1.00 0.00 N ATOM 562 CA ASP A 36 -10.131 9.626 -12.410 1.00 0.00 C ATOM 563 C ASP A 36 -9.236 10.821 -12.052 1.00 0.00 C ATOM 564 O ASP A 36 -9.600 11.711 -11.282 1.00 0.00 O ATOM 565 CB ASP A 36 -11.061 9.211 -11.241 1.00 0.00 C ATOM 566 CG ASP A 36 -12.129 10.247 -10.939 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.801 10.714 -11.891 1.00 0.00 O ATOM 568 OD2 ASP A 36 -12.320 10.613 -9.758 1.00 0.00 O ATOM 0 H ASP A 36 -9.436 8.288 -13.857 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.793 9.929 -13.221 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.540 8.263 -11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.460 9.045 -10.347 1.00 0.00 H new ATOM 573 N GLY A 37 -8.061 10.841 -12.654 1.00 0.00 N ATOM 574 CA GLY A 37 -7.135 11.935 -12.469 1.00 0.00 C ATOM 575 C GLY A 37 -6.191 11.759 -11.295 1.00 0.00 C ATOM 576 O GLY A 37 -5.249 12.537 -11.139 1.00 0.00 O ATOM 0 H GLY A 37 -7.727 10.106 -13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.547 12.056 -13.379 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.701 12.856 -12.331 1.00 0.00 H new ATOM 580 N GLU A 38 -6.423 10.763 -10.481 1.00 0.00 N ATOM 581 CA GLU A 38 -5.596 10.534 -9.320 1.00 0.00 C ATOM 582 C GLU A 38 -4.883 9.196 -9.408 1.00 0.00 C ATOM 583 O GLU A 38 -5.251 8.348 -10.229 1.00 0.00 O ATOM 584 CB GLU A 38 -6.420 10.682 -8.042 1.00 0.00 C ATOM 585 CG GLU A 38 -7.704 9.873 -8.018 1.00 0.00 C ATOM 586 CD GLU A 38 -8.549 10.189 -6.814 1.00 0.00 C ATOM 587 OE1 GLU A 38 -9.061 11.326 -6.722 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.712 9.328 -5.943 1.00 0.00 O ATOM 0 H GLU A 38 -7.182 10.092 -10.600 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.815 11.294 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.804 10.386 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.667 11.735 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.275 10.074 -8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.463 8.810 -8.022 1.00 0.00 H new ATOM 595 N VAL A 39 -3.876 8.993 -8.581 1.00 0.00 N ATOM 596 CA VAL A 39 -3.089 7.782 -8.682 1.00 0.00 C ATOM 597 C VAL A 39 -3.578 6.779 -7.672 1.00 0.00 C ATOM 598 O VAL A 39 -3.539 7.018 -6.455 1.00 0.00 O ATOM 599 CB VAL A 39 -1.565 8.011 -8.472 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.764 6.819 -8.993 1.00 0.00 C ATOM 601 CG2 VAL A 39 -1.090 9.309 -9.104 1.00 0.00 C ATOM 0 H VAL A 39 -3.588 9.638 -7.845 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.218 7.413 -9.700 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.393 8.099 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.300 6.999 -8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.062 5.918 -8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.957 6.688 -10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.020 9.427 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.285 9.284 -10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.624 10.148 -8.657 1.00 0.00 H new ATOM 611 N LEU A 40 -4.051 5.687 -8.184 1.00 0.00 N ATOM 612 CA LEU A 40 -4.598 4.626 -7.410 1.00 0.00 C ATOM 613 C LEU A 40 -3.693 3.426 -7.511 1.00 0.00 C ATOM 614 O LEU A 40 -3.237 3.058 -8.594 1.00 0.00 O ATOM 615 CB LEU A 40 -5.987 4.264 -7.922 1.00 0.00 C ATOM 616 CG LEU A 40 -7.003 5.404 -7.961 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.317 4.908 -8.513 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.194 6.005 -6.576 1.00 0.00 C ATOM 0 H LEU A 40 -4.066 5.507 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.679 4.943 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.887 3.858 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.388 3.468 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.622 6.187 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.035 5.728 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.167 4.528 -9.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.700 4.109 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.922 6.815 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.555 5.236 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.243 6.395 -6.214 1.00 0.00 H new ATOM 630 N TYR A 41 -3.440 2.841 -6.411 1.00 0.00 N ATOM 631 CA TYR A 41 -2.581 1.702 -6.293 1.00 0.00 C ATOM 632 C TYR A 41 -3.412 0.491 -6.004 1.00 0.00 C ATOM 633 O TYR A 41 -4.424 0.586 -5.319 1.00 0.00 O ATOM 634 CB TYR A 41 -1.590 1.898 -5.130 1.00 0.00 C ATOM 635 CG TYR A 41 -0.558 2.987 -5.321 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.905 4.335 -5.300 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.779 2.664 -5.506 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.043 5.310 -5.460 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.731 3.645 -5.669 1.00 0.00 C ATOM 640 CZ TYR A 41 1.354 4.968 -5.646 1.00 0.00 C ATOM 641 OH TYR A 41 2.296 5.955 -5.802 1.00 0.00 O ATOM 0 H TYR A 41 -3.835 3.144 -5.521 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.030 1.579 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.159 2.117 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.069 0.956 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.938 4.616 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.077 1.626 -5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.245 6.351 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.767 3.378 -5.814 1.00 0.00 H new ATOM 0 HH TYR A 41 2.966 5.883 -5.090 1.00 0.00 H new ATOM 651 N LEU A 42 -2.991 -0.628 -6.505 1.00 0.00 N ATOM 652 CA LEU A 42 -3.646 -1.870 -6.229 1.00 0.00 C ATOM 653 C LEU A 42 -2.746 -2.624 -5.312 1.00 0.00 C ATOM 654 O LEU A 42 -1.646 -3.076 -5.710 1.00 0.00 O ATOM 655 CB LEU A 42 -3.913 -2.670 -7.504 1.00 0.00 C ATOM 656 CG LEU A 42 -4.565 -4.047 -7.304 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.902 -3.927 -6.574 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.742 -4.746 -8.640 1.00 0.00 C ATOM 0 H LEU A 42 -2.181 -0.707 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.622 -1.692 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.554 -2.076 -8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.967 -2.809 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.902 -4.648 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.338 -4.918 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.743 -3.473 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.580 -3.304 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.205 -5.720 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.379 -4.141 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.769 -4.879 -9.113 1.00 0.00 H new ATOM 670 N VAL A 43 -3.161 -2.703 -4.092 1.00 0.00 N ATOM 671 CA VAL A 43 -2.360 -3.248 -3.058 1.00 0.00 C ATOM 672 C VAL A 43 -3.065 -4.434 -2.419 1.00 0.00 C ATOM 673 O VAL A 43 -4.305 -4.502 -2.385 1.00 0.00 O ATOM 674 CB VAL A 43 -2.061 -2.149 -1.971 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.473 -0.913 -2.618 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.309 -1.776 -1.169 1.00 0.00 C ATOM 0 H VAL A 43 -4.080 -2.385 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.417 -3.588 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.337 -2.574 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.272 -0.163 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.543 -1.174 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.180 -0.511 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.054 -1.015 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.072 -1.387 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.692 -2.660 -0.660 1.00 0.00 H new ATOM 686 N HIS A 44 -2.299 -5.371 -1.967 1.00 0.00 N ATOM 687 CA HIS A 44 -2.828 -6.481 -1.222 1.00 0.00 C ATOM 688 C HIS A 44 -2.198 -6.425 0.120 1.00 0.00 C ATOM 689 O HIS A 44 -0.977 -6.327 0.229 1.00 0.00 O ATOM 690 CB HIS A 44 -2.552 -7.846 -1.906 1.00 0.00 C ATOM 691 CG HIS A 44 -2.982 -9.087 -1.100 1.00 0.00 C ATOM 692 ND1 HIS A 44 -2.465 -10.331 -1.322 1.00 0.00 N ATOM 693 CD2 HIS A 44 -3.867 -9.246 -0.078 1.00 0.00 C ATOM 694 CE1 HIS A 44 -2.989 -11.188 -0.482 1.00 0.00 C ATOM 695 NE2 HIS A 44 -3.845 -10.560 0.281 1.00 0.00 N ATOM 0 H HIS A 44 -1.288 -5.395 -2.100 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.913 -6.403 -1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.065 -7.862 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.485 -7.920 -2.113 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -1.773 -10.559 -2.036 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.475 -8.472 0.367 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.753 -12.241 -0.428 1.00 0.00 H new ATOM 704 N TYR A 45 -3.024 -6.422 1.132 1.00 0.00 N ATOM 705 CA TYR A 45 -2.569 -6.384 2.491 1.00 0.00 C ATOM 706 C TYR A 45 -1.821 -7.669 2.777 1.00 0.00 C ATOM 707 O TYR A 45 -2.426 -8.730 2.959 1.00 0.00 O ATOM 708 CB TYR A 45 -3.776 -6.145 3.412 1.00 0.00 C ATOM 709 CG TYR A 45 -4.543 -4.920 2.939 1.00 0.00 C ATOM 710 CD1 TYR A 45 -3.987 -3.665 3.059 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.769 -5.034 2.284 1.00 0.00 C ATOM 712 CE1 TYR A 45 -4.620 -2.551 2.562 1.00 0.00 C ATOM 713 CE2 TYR A 45 -6.406 -3.917 1.766 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.821 -2.674 1.912 1.00 0.00 C ATOM 715 OH TYR A 45 -6.423 -1.556 1.394 1.00 0.00 O ATOM 0 H TYR A 45 -4.039 -6.446 1.033 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.875 -5.563 2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.428 -7.019 3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.440 -6.002 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.034 -3.554 3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.228 -6.006 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.170 -1.577 2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.351 -4.018 1.253 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.395 -1.633 1.491 1.00 0.00 H new ATOM 725 N TYR A 46 -0.497 -7.541 2.736 1.00 0.00 N ATOM 726 CA TYR A 46 0.447 -8.639 2.800 1.00 0.00 C ATOM 727 C TYR A 46 0.309 -9.634 1.658 1.00 0.00 C ATOM 728 O TYR A 46 -0.450 -10.612 1.736 1.00 0.00 O ATOM 729 CB TYR A 46 0.519 -9.297 4.165 1.00 0.00 C ATOM 730 CG TYR A 46 1.320 -8.477 5.122 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.699 -8.531 5.076 1.00 0.00 C ATOM 732 CD2 TYR A 46 0.724 -7.620 6.033 1.00 0.00 C ATOM 733 CE1 TYR A 46 3.469 -7.769 5.904 1.00 0.00 C ATOM 734 CE2 TYR A 46 1.494 -6.840 6.865 1.00 0.00 C ATOM 735 CZ TYR A 46 2.869 -6.925 6.793 1.00 0.00 C ATOM 736 OH TYR A 46 3.648 -6.147 7.600 1.00 0.00 O ATOM 0 H TYR A 46 -0.041 -6.632 2.654 1.00 0.00 H new ATOM 0 HA TYR A 46 1.422 -8.175 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.488 -9.437 4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.964 -10.287 4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.178 -9.191 4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.353 -7.564 6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.546 -7.833 5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.026 -6.167 7.568 1.00 0.00 H new ATOM 0 HH TYR A 46 3.257 -6.113 8.498 1.00 0.00 H new ATOM 746 N GLY A 47 1.005 -9.350 0.575 1.00 0.00 N ATOM 747 CA GLY A 47 1.016 -10.237 -0.558 1.00 0.00 C ATOM 748 C GLY A 47 0.745 -9.514 -1.851 1.00 0.00 C ATOM 749 O GLY A 47 0.545 -8.306 -1.866 1.00 0.00 O ATOM 0 H GLY A 47 1.570 -8.508 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.984 -10.734 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.266 -11.015 -0.415 1.00 0.00 H new ATOM 753 N TRP A 48 0.727 -10.255 -2.923 1.00 0.00 N ATOM 754 CA TRP A 48 0.442 -9.729 -4.242 1.00 0.00 C ATOM 755 C TRP A 48 -1.036 -9.978 -4.558 1.00 0.00 C ATOM 756 O TRP A 48 -1.695 -10.683 -3.806 1.00 0.00 O ATOM 757 CB TRP A 48 1.371 -10.376 -5.287 1.00 0.00 C ATOM 758 CG TRP A 48 2.839 -10.081 -5.050 1.00 0.00 C ATOM 759 CD1 TRP A 48 3.654 -10.658 -4.113 1.00 0.00 C ATOM 760 CD2 TRP A 48 3.666 -9.145 -5.770 1.00 0.00 C ATOM 761 NE1 TRP A 48 4.915 -10.125 -4.190 1.00 0.00 N ATOM 762 CE2 TRP A 48 4.953 -9.201 -5.199 1.00 0.00 C ATOM 763 CE3 TRP A 48 3.445 -8.265 -6.835 1.00 0.00 C ATOM 764 CZ2 TRP A 48 6.005 -8.411 -5.657 1.00 0.00 C ATOM 765 CZ3 TRP A 48 4.490 -7.487 -7.285 1.00 0.00 C ATOM 766 CH2 TRP A 48 5.755 -7.565 -6.697 1.00 0.00 C ATOM 0 H TRP A 48 0.912 -11.258 -2.912 1.00 0.00 H new ATOM 0 HA TRP A 48 0.629 -8.656 -4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.219 -11.455 -5.279 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.092 -10.022 -6.279 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.348 -11.422 -3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.700 -10.377 -3.590 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.471 -8.196 -7.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.984 -8.467 -5.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.328 -6.805 -8.107 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.552 -6.942 -7.074 1.00 0.00 H new ATOM 777 N ASN A 49 -1.529 -9.425 -5.655 1.00 0.00 N ATOM 778 CA ASN A 49 -2.974 -9.458 -6.013 1.00 0.00 C ATOM 779 C ASN A 49 -3.508 -10.867 -6.164 1.00 0.00 C ATOM 780 O ASN A 49 -3.178 -11.586 -7.126 1.00 0.00 O ATOM 781 CB ASN A 49 -3.259 -8.632 -7.282 1.00 0.00 C ATOM 782 CG ASN A 49 -4.718 -8.677 -7.741 1.00 0.00 C ATOM 783 OD1 ASN A 49 -5.106 -9.516 -8.557 1.00 0.00 O ATOM 784 ND2 ASN A 49 -5.518 -7.787 -7.235 1.00 0.00 N ATOM 0 H ASN A 49 -0.951 -8.934 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.504 -9.002 -5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.979 -7.595 -7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.624 -8.995 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.500 -7.768 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.164 -7.107 -6.562 1.00 0.00 H new ATOM 791 N VAL A 50 -4.272 -11.274 -5.188 1.00 0.00 N ATOM 792 CA VAL A 50 -4.861 -12.579 -5.184 1.00 0.00 C ATOM 793 C VAL A 50 -6.249 -12.607 -5.827 1.00 0.00 C ATOM 794 O VAL A 50 -6.445 -13.226 -6.870 1.00 0.00 O ATOM 795 CB VAL A 50 -4.844 -13.280 -3.783 1.00 0.00 C ATOM 796 CG1 VAL A 50 -3.420 -13.632 -3.389 1.00 0.00 C ATOM 797 CG2 VAL A 50 -5.470 -12.409 -2.698 1.00 0.00 C ATOM 0 H VAL A 50 -4.503 -10.707 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.208 -13.179 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.440 -14.188 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.422 -14.119 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.994 -14.308 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.821 -12.723 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.436 -12.936 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.915 -11.474 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.507 -12.194 -2.957 1.00 0.00 H new ATOM 807 N ARG A 51 -7.193 -11.886 -5.246 1.00 0.00 N ATOM 808 CA ARG A 51 -8.581 -11.988 -5.682 1.00 0.00 C ATOM 809 C ARG A 51 -9.017 -10.785 -6.482 1.00 0.00 C ATOM 810 O ARG A 51 -9.408 -10.904 -7.634 1.00 0.00 O ATOM 811 CB ARG A 51 -9.493 -12.131 -4.461 1.00 0.00 C ATOM 812 CG ARG A 51 -9.242 -13.368 -3.612 1.00 0.00 C ATOM 813 CD ARG A 51 -10.084 -13.335 -2.344 1.00 0.00 C ATOM 814 NE ARG A 51 -11.519 -13.234 -2.640 1.00 0.00 N ATOM 815 CZ ARG A 51 -12.392 -12.433 -2.001 1.00 0.00 C ATOM 816 NH1 ARG A 51 -11.997 -11.701 -0.960 1.00 0.00 N ATOM 817 NH2 ARG A 51 -13.666 -12.387 -2.395 1.00 0.00 N ATOM 0 H ARG A 51 -7.030 -11.231 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.657 -12.865 -6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.375 -11.248 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.529 -12.145 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.478 -14.263 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.185 -13.427 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.897 -14.236 -1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.780 -12.488 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.884 -13.819 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.028 -11.746 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.663 -11.096 -0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.978 -12.959 -3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.328 -11.780 -1.911 1.00 0.00 H new ATOM 831 N TYR A 52 -8.908 -9.642 -5.885 1.00 0.00 N ATOM 832 CA TYR A 52 -9.323 -8.379 -6.485 1.00 0.00 C ATOM 833 C TYR A 52 -8.505 -7.328 -5.847 1.00 0.00 C ATOM 834 O TYR A 52 -7.959 -6.448 -6.510 1.00 0.00 O ATOM 835 CB TYR A 52 -10.810 -8.042 -6.193 1.00 0.00 C ATOM 836 CG TYR A 52 -11.840 -9.018 -6.709 1.00 0.00 C ATOM 837 CD1 TYR A 52 -12.231 -9.006 -8.040 1.00 0.00 C ATOM 838 CD2 TYR A 52 -12.439 -9.940 -5.855 1.00 0.00 C ATOM 839 CE1 TYR A 52 -13.183 -9.885 -8.508 1.00 0.00 C ATOM 840 CE2 TYR A 52 -13.389 -10.822 -6.316 1.00 0.00 C ATOM 841 CZ TYR A 52 -13.758 -10.792 -7.644 1.00 0.00 C ATOM 842 OH TYR A 52 -14.712 -11.669 -8.111 1.00 0.00 O ATOM 0 H TYR A 52 -8.522 -9.540 -4.946 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.198 -8.445 -7.566 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.934 -7.956 -5.113 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.027 -7.062 -6.618 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.782 -8.297 -8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.153 -9.963 -4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -13.477 -9.863 -9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -13.843 -11.533 -5.642 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.017 -12.242 -7.377 1.00 0.00 H new ATOM 852 N ASP A 53 -8.444 -7.445 -4.533 1.00 0.00 N ATOM 853 CA ASP A 53 -7.689 -6.577 -3.659 1.00 0.00 C ATOM 854 C ASP A 53 -8.215 -5.168 -3.630 1.00 0.00 C ATOM 855 O ASP A 53 -9.328 -4.914 -4.123 1.00 0.00 O ATOM 856 CB ASP A 53 -6.185 -6.712 -3.854 1.00 0.00 C ATOM 857 CG ASP A 53 -5.737 -8.042 -3.314 1.00 0.00 C ATOM 858 OD1 ASP A 53 -5.853 -8.247 -2.086 1.00 0.00 O ATOM 859 OD2 ASP A 53 -5.345 -8.929 -4.087 1.00 0.00 O ATOM 0 H ASP A 53 -8.941 -8.179 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.854 -6.930 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.934 -6.632 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.665 -5.903 -3.341 1.00 0.00 H new ATOM 864 N GLU A 54 -7.503 -4.258 -3.033 1.00 0.00 N ATOM 865 CA GLU A 54 -8.084 -2.969 -2.797 1.00 0.00 C ATOM 866 C GLU A 54 -7.227 -1.857 -3.359 1.00 0.00 C ATOM 867 O GLU A 54 -5.994 -1.956 -3.418 1.00 0.00 O ATOM 868 CB GLU A 54 -8.389 -2.821 -1.292 1.00 0.00 C ATOM 869 CG GLU A 54 -9.246 -1.632 -0.901 1.00 0.00 C ATOM 870 CD GLU A 54 -9.698 -1.719 0.538 1.00 0.00 C ATOM 871 OE1 GLU A 54 -10.722 -2.403 0.814 1.00 0.00 O ATOM 872 OE2 GLU A 54 -9.036 -1.145 1.436 1.00 0.00 O ATOM 0 H GLU A 54 -6.544 -4.378 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.029 -2.886 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.886 -3.729 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.443 -2.754 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.681 -0.712 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.117 -1.581 -1.554 1.00 0.00 H new ATOM 879 N TRP A 55 -7.902 -0.838 -3.811 1.00 0.00 N ATOM 880 CA TRP A 55 -7.298 0.299 -4.432 1.00 0.00 C ATOM 881 C TRP A 55 -7.226 1.433 -3.470 1.00 0.00 C ATOM 882 O TRP A 55 -8.244 1.852 -2.900 1.00 0.00 O ATOM 883 CB TRP A 55 -8.105 0.720 -5.639 1.00 0.00 C ATOM 884 CG TRP A 55 -8.121 -0.314 -6.715 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.933 -1.406 -6.788 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.270 -0.366 -7.861 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.644 -2.123 -7.914 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.627 -1.507 -8.593 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.241 0.451 -8.343 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -6.993 -1.859 -9.783 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.612 0.101 -9.518 1.00 0.00 C ATOM 892 CH2 TRP A 55 -5.988 -1.045 -10.229 1.00 0.00 C ATOM 0 H TRP A 55 -8.919 -0.777 -3.754 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.290 0.027 -4.745 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.129 0.932 -5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.695 1.647 -6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.691 -1.666 -6.064 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.112 -2.982 -8.203 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.945 1.339 -7.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.284 -2.742 -10.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.814 0.722 -9.898 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.475 -1.291 -11.147 1.00 0.00 H new ATOM 903 N VAL A 56 -6.056 1.923 -3.283 1.00 0.00 N ATOM 904 CA VAL A 56 -5.824 3.007 -2.387 1.00 0.00 C ATOM 905 C VAL A 56 -5.148 4.133 -3.147 1.00 0.00 C ATOM 906 O VAL A 56 -4.379 3.885 -4.070 1.00 0.00 O ATOM 907 CB VAL A 56 -4.969 2.560 -1.159 1.00 0.00 C ATOM 908 CG1 VAL A 56 -5.684 1.446 -0.402 1.00 0.00 C ATOM 909 CG2 VAL A 56 -3.580 2.097 -1.578 1.00 0.00 C ATOM 0 H VAL A 56 -5.217 1.581 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.778 3.357 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.848 3.425 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.080 1.141 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.651 1.806 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.832 0.593 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.016 1.794 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.669 1.251 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.060 2.914 -2.079 1.00 0.00 H new ATOM 919 N LYS A 57 -5.473 5.342 -2.811 1.00 0.00 N ATOM 920 CA LYS A 57 -4.904 6.494 -3.470 1.00 0.00 C ATOM 921 C LYS A 57 -3.515 6.755 -2.875 1.00 0.00 C ATOM 922 O LYS A 57 -3.233 6.301 -1.769 1.00 0.00 O ATOM 923 CB LYS A 57 -5.843 7.685 -3.239 1.00 0.00 C ATOM 924 CG LYS A 57 -5.490 8.964 -3.976 1.00 0.00 C ATOM 925 CD LYS A 57 -6.476 10.067 -3.606 1.00 0.00 C ATOM 926 CE LYS A 57 -6.165 11.379 -4.301 1.00 0.00 C ATOM 927 NZ LYS A 57 -7.101 12.453 -3.896 1.00 0.00 N ATOM 0 H LYS A 57 -6.140 5.567 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.796 6.334 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.851 7.389 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.869 7.900 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.475 9.272 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.511 8.791 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.486 9.751 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.459 10.218 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.144 11.680 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.218 11.239 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.855 13.333 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.073 12.177 -4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.033 12.604 -2.869 1.00 0.00 H new ATOM 941 N ALA A 58 -2.654 7.472 -3.594 1.00 0.00 N ATOM 942 CA ALA A 58 -1.296 7.786 -3.104 1.00 0.00 C ATOM 943 C ALA A 58 -1.346 8.543 -1.773 1.00 0.00 C ATOM 944 O ALA A 58 -0.499 8.361 -0.898 1.00 0.00 O ATOM 945 CB ALA A 58 -0.522 8.584 -4.135 1.00 0.00 C ATOM 0 H ALA A 58 -2.864 7.850 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.780 6.841 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.475 8.803 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.438 8.005 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.045 9.518 -4.340 1.00 0.00 H new ATOM 951 N ASP A 59 -2.375 9.356 -1.632 1.00 0.00 N ATOM 952 CA ASP A 59 -2.665 10.141 -0.412 1.00 0.00 C ATOM 953 C ASP A 59 -2.896 9.222 0.798 1.00 0.00 C ATOM 954 O ASP A 59 -2.624 9.580 1.951 1.00 0.00 O ATOM 955 CB ASP A 59 -3.931 10.975 -0.673 1.00 0.00 C ATOM 956 CG ASP A 59 -4.487 11.693 0.549 1.00 0.00 C ATOM 957 OD1 ASP A 59 -5.276 11.078 1.304 1.00 0.00 O ATOM 958 OD2 ASP A 59 -4.214 12.898 0.731 1.00 0.00 O ATOM 0 H ASP A 59 -3.060 9.504 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.814 10.783 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.709 11.715 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.704 10.320 -1.075 1.00 0.00 H new ATOM 963 N ARG A 60 -3.319 8.018 0.514 1.00 0.00 N ATOM 964 CA ARG A 60 -3.725 7.066 1.522 1.00 0.00 C ATOM 965 C ARG A 60 -2.544 6.237 1.996 1.00 0.00 C ATOM 966 O ARG A 60 -2.656 5.483 2.956 1.00 0.00 O ATOM 967 CB ARG A 60 -4.775 6.139 0.902 1.00 0.00 C ATOM 968 CG ARG A 60 -5.994 5.893 1.747 1.00 0.00 C ATOM 969 CD ARG A 60 -6.612 7.214 2.134 1.00 0.00 C ATOM 970 NE ARG A 60 -7.978 7.090 2.626 1.00 0.00 N ATOM 971 CZ ARG A 60 -8.653 8.110 3.154 1.00 0.00 C ATOM 972 NH1 ARG A 60 -8.028 9.258 3.388 1.00 0.00 N ATOM 973 NH2 ARG A 60 -9.943 7.983 3.444 1.00 0.00 N ATOM 0 H ARG A 60 -3.393 7.663 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.130 7.601 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.093 6.563 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.305 5.180 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.715 5.289 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.723 5.330 2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.998 7.683 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.604 7.878 1.270 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.438 6.182 2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.038 9.354 3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.538 10.043 3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.422 7.101 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.455 8.767 3.848 1.00 0.00 H new ATOM 987 N ILE A 61 -1.412 6.418 1.372 1.00 0.00 N ATOM 988 CA ILE A 61 -0.295 5.565 1.623 1.00 0.00 C ATOM 989 C ILE A 61 0.797 6.278 2.421 1.00 0.00 C ATOM 990 O ILE A 61 0.989 7.490 2.305 1.00 0.00 O ATOM 991 CB ILE A 61 0.288 5.049 0.278 1.00 0.00 C ATOM 992 CG1 ILE A 61 -0.804 4.375 -0.550 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.423 4.082 0.515 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.307 3.755 -1.832 1.00 0.00 C ATOM 0 H ILE A 61 -1.244 7.153 0.685 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.648 4.724 2.220 1.00 0.00 H new ATOM 0 HB ILE A 61 0.675 5.907 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.280 3.603 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.572 5.111 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.813 3.736 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.217 4.582 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.060 3.229 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.142 3.297 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.142 4.526 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.439 2.994 -1.603 1.00 0.00 H new ATOM 1006 N ILE A 62 1.469 5.509 3.242 1.00 0.00 N ATOM 1007 CA ILE A 62 2.595 5.930 4.021 1.00 0.00 C ATOM 1008 C ILE A 62 3.810 5.286 3.373 1.00 0.00 C ATOM 1009 O ILE A 62 3.955 4.050 3.388 1.00 0.00 O ATOM 1010 CB ILE A 62 2.533 5.413 5.522 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.364 5.997 6.358 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.850 5.691 6.252 1.00 0.00 C ATOM 1013 CD1 ILE A 62 -0.043 5.660 5.908 1.00 0.00 C ATOM 0 H ILE A 62 1.230 4.528 3.388 1.00 0.00 H new ATOM 0 HA ILE A 62 2.622 7.019 4.047 1.00 0.00 H new ATOM 0 HB ILE A 62 2.356 4.341 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.481 5.656 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.465 7.082 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.781 5.328 7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.665 5.180 5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.042 6.764 6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.762 6.131 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.198 6.027 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.182 4.579 5.928 1.00 0.00 H new ATOM 1025 N TRP A 63 4.620 6.091 2.755 1.00 0.00 N ATOM 1026 CA TRP A 63 5.819 5.621 2.116 1.00 0.00 C ATOM 1027 C TRP A 63 6.985 5.789 3.049 1.00 0.00 C ATOM 1028 O TRP A 63 7.200 6.899 3.572 1.00 0.00 O ATOM 1029 CB TRP A 63 6.089 6.397 0.823 1.00 0.00 C ATOM 1030 CG TRP A 63 5.057 6.173 -0.222 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.951 6.926 -0.455 1.00 0.00 C ATOM 1032 CD2 TRP A 63 5.032 5.110 -1.170 1.00 0.00 C ATOM 1033 NE1 TRP A 63 3.235 6.394 -1.492 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.880 5.274 -1.948 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.879 4.030 -1.434 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.549 4.400 -2.969 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 5.546 3.161 -2.452 1.00 0.00 C ATOM 1038 CH2 TRP A 63 4.392 3.349 -3.207 1.00 0.00 C ATOM 0 H TRP A 63 4.470 7.097 2.677 1.00 0.00 H new ATOM 0 HA TRP A 63 5.687 4.567 1.869 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.141 7.462 1.050 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.063 6.107 0.430 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.677 7.813 0.097 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.363 6.770 -1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.776 3.879 -0.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.655 4.543 -3.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 6.191 2.322 -2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.157 2.651 -3.997 1.00 0.00 H new ATOM 1049 N PRO A 64 7.725 4.713 3.349 1.00 0.00 N ATOM 1050 CA PRO A 64 8.926 4.835 4.143 1.00 0.00 C ATOM 1051 C PRO A 64 9.979 5.522 3.323 1.00 0.00 C ATOM 1052 O PRO A 64 10.429 4.994 2.287 1.00 0.00 O ATOM 1053 CB PRO A 64 9.327 3.385 4.452 1.00 0.00 C ATOM 1054 CG PRO A 64 8.126 2.575 4.101 1.00 0.00 C ATOM 1055 CD PRO A 64 7.447 3.318 2.989 1.00 0.00 C ATOM 0 HA PRO A 64 8.792 5.417 5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.194 3.081 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.593 3.263 5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.409 1.571 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.464 2.464 4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.857 3.058 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.378 3.110 2.951 1.00 0.00 H new ATOM 1063 N LEU A 65 10.377 6.669 3.809 1.00 0.00 N ATOM 1064 CA LEU A 65 11.260 7.569 3.134 1.00 0.00 C ATOM 1065 C LEU A 65 11.310 8.826 3.982 1.00 0.00 C ATOM 1066 O LEU A 65 10.400 9.655 3.910 1.00 0.00 O ATOM 1067 CB LEU A 65 10.669 7.877 1.732 1.00 0.00 C ATOM 1068 CG LEU A 65 11.554 8.514 0.666 1.00 0.00 C ATOM 1069 CD1 LEU A 65 10.794 8.528 -0.636 1.00 0.00 C ATOM 1070 CD2 LEU A 65 11.942 9.924 1.036 1.00 0.00 C ATOM 0 H LEU A 65 10.080 7.010 4.723 1.00 0.00 H new ATOM 0 HA LEU A 65 12.260 7.157 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.290 6.940 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.810 8.532 1.877 1.00 0.00 H new ATOM 0 HG LEU A 65 12.471 7.931 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.411 8.980 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.543 7.507 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.878 9.107 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.572 10.345 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.044 10.532 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.491 9.915 1.978 1.00 0.00 H new ATOM 1082 N ASP A 66 12.307 8.894 4.868 1.00 0.00 N ATOM 1083 CA ASP A 66 12.562 10.078 5.723 1.00 0.00 C ATOM 1084 C ASP A 66 11.341 10.494 6.533 1.00 0.00 C ATOM 1085 O ASP A 66 11.124 11.687 6.789 1.00 0.00 O ATOM 1086 CB ASP A 66 13.036 11.257 4.867 1.00 0.00 C ATOM 1087 CG ASP A 66 14.459 11.127 4.405 1.00 0.00 C ATOM 1088 OD1 ASP A 66 15.379 11.517 5.154 1.00 0.00 O ATOM 1089 OD2 ASP A 66 14.696 10.645 3.270 1.00 0.00 O ATOM 0 H ASP A 66 12.968 8.132 5.020 1.00 0.00 H new ATOM 0 HA ASP A 66 13.340 9.792 6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.386 11.348 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.931 12.178 5.441 1.00 0.00 H new ATOM 1094 N LYS A 67 10.559 9.530 6.949 1.00 0.00 N ATOM 1095 CA LYS A 67 9.351 9.807 7.695 1.00 0.00 C ATOM 1096 C LYS A 67 9.696 10.137 9.139 1.00 0.00 C ATOM 1097 O LYS A 67 9.420 11.246 9.623 1.00 0.00 O ATOM 1098 CB LYS A 67 8.381 8.610 7.612 1.00 0.00 C ATOM 1099 CG LYS A 67 7.016 8.745 8.340 1.00 0.00 C ATOM 1100 CD LYS A 67 6.012 9.715 7.668 1.00 0.00 C ATOM 1101 CE LYS A 67 6.288 11.193 7.947 1.00 0.00 C ATOM 1102 NZ LYS A 67 5.300 12.065 7.282 1.00 0.00 N ATOM 0 H LYS A 67 10.736 8.539 6.784 1.00 0.00 H new ATOM 0 HA LYS A 67 8.852 10.671 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.183 8.409 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.891 7.734 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.557 7.759 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.197 9.082 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.030 9.550 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.006 9.474 8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.266 11.371 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.290 11.448 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.518 13.060 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.339 11.912 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.347 11.838 7.630 1.00 0.00 H new ATOM 1116 N GLY A 68 10.308 9.180 9.806 1.00 0.00 N ATOM 1117 CA GLY A 68 10.688 9.321 11.196 1.00 0.00 C ATOM 1118 C GLY A 68 9.496 9.187 12.104 1.00 0.00 C ATOM 1119 O GLY A 68 9.285 8.155 12.738 1.00 0.00 O ATOM 0 H GLY A 68 10.557 8.279 9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.429 8.564 11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.158 10.292 11.350 1.00 0.00 H new ATOM 1123 N LEU A 69 8.704 10.207 12.119 1.00 0.00 N ATOM 1124 CA LEU A 69 7.525 10.262 12.900 1.00 0.00 C ATOM 1125 C LEU A 69 6.297 10.261 12.014 1.00 0.00 C ATOM 1126 O LEU A 69 6.166 11.094 11.128 1.00 0.00 O ATOM 1127 CB LEU A 69 7.523 11.426 13.961 1.00 0.00 C ATOM 1128 CG LEU A 69 8.217 12.796 13.644 1.00 0.00 C ATOM 1129 CD1 LEU A 69 9.728 12.659 13.599 1.00 0.00 C ATOM 1130 CD2 LEU A 69 7.696 13.439 12.367 1.00 0.00 C ATOM 0 H LEU A 69 8.870 11.049 11.568 1.00 0.00 H new ATOM 0 HA LEU A 69 7.498 9.354 13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.481 11.641 14.200 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.984 11.035 14.868 1.00 0.00 H new ATOM 0 HG LEU A 69 7.957 13.463 14.466 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.175 13.628 13.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.090 12.305 14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.006 11.945 12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.212 14.384 12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.876 12.772 11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.626 13.622 12.462 1.00 0.00 H new ATOM 1142 N GLU A 70 5.439 9.290 12.198 1.00 0.00 N ATOM 1143 CA GLU A 70 4.228 9.212 11.403 1.00 0.00 C ATOM 1144 C GLU A 70 3.142 10.046 12.017 1.00 0.00 C ATOM 1145 O GLU A 70 2.625 10.982 11.414 1.00 0.00 O ATOM 1146 CB GLU A 70 3.720 7.786 11.307 1.00 0.00 C ATOM 1147 CG GLU A 70 4.612 6.825 10.580 1.00 0.00 C ATOM 1148 CD GLU A 70 3.987 5.469 10.527 1.00 0.00 C ATOM 1149 OE1 GLU A 70 2.946 5.321 9.871 1.00 0.00 O ATOM 1150 OE2 GLU A 70 4.493 4.528 11.189 1.00 0.00 O ATOM 0 H GLU A 70 5.550 8.544 12.885 1.00 0.00 H new ATOM 0 HA GLU A 70 4.477 9.580 10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.557 7.409 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.749 7.798 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.798 7.186 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.579 6.767 11.080 1.00 0.00 H new ATOM 1157 N HIS A 71 2.806 9.709 13.221 1.00 0.00 N ATOM 1158 CA HIS A 71 1.718 10.331 13.904 1.00 0.00 C ATOM 1159 C HIS A 71 2.248 11.383 14.834 1.00 0.00 C ATOM 1160 O HIS A 71 2.363 11.178 16.042 1.00 0.00 O ATOM 1161 CB HIS A 71 0.848 9.294 14.648 1.00 0.00 C ATOM 1162 CG HIS A 71 0.385 8.170 13.764 1.00 0.00 C ATOM 1163 ND1 HIS A 71 0.711 6.851 13.985 1.00 0.00 N ATOM 1164 CD2 HIS A 71 -0.346 8.181 12.631 1.00 0.00 C ATOM 1165 CE1 HIS A 71 0.212 6.110 13.027 1.00 0.00 C ATOM 1166 NE2 HIS A 71 -0.436 6.888 12.190 1.00 0.00 N ATOM 0 H HIS A 71 3.283 8.988 13.762 1.00 0.00 H new ATOM 0 HA HIS A 71 1.068 10.809 13.171 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.417 8.882 15.481 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.021 9.796 15.073 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.780 9.050 12.159 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.316 5.039 12.940 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.926 6.580 11.350 1.00 0.00 H new ATOM 1175 N HIS A 72 2.653 12.483 14.255 1.00 0.00 N ATOM 1176 CA HIS A 72 3.212 13.558 15.023 1.00 0.00 C ATOM 1177 C HIS A 72 2.138 14.579 15.321 1.00 0.00 C ATOM 1178 O HIS A 72 2.187 15.251 16.351 1.00 0.00 O ATOM 1179 CB HIS A 72 4.406 14.203 14.283 1.00 0.00 C ATOM 1180 CG HIS A 72 5.180 15.222 15.093 1.00 0.00 C ATOM 1181 ND1 HIS A 72 6.274 14.894 15.854 1.00 0.00 N ATOM 1182 CD2 HIS A 72 5.014 16.557 15.253 1.00 0.00 C ATOM 1183 CE1 HIS A 72 6.741 15.965 16.448 1.00 0.00 C ATOM 1184 NE2 HIS A 72 5.998 16.988 16.099 1.00 0.00 N ATOM 0 H HIS A 72 2.605 12.656 13.251 1.00 0.00 H new ATOM 0 HA HIS A 72 3.590 13.162 15.965 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.090 13.414 13.969 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.037 14.684 13.377 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.248 17.167 14.798 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.592 15.999 17.112 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.133 17.950 16.409 1.00 0.00 H new ATOM 1193 N HIS A 73 1.150 14.675 14.448 1.00 0.00 N ATOM 1194 CA HIS A 73 0.108 15.655 14.642 1.00 0.00 C ATOM 1195 C HIS A 73 -0.932 15.175 15.642 1.00 0.00 C ATOM 1196 O HIS A 73 -1.673 14.233 15.399 1.00 0.00 O ATOM 1197 CB HIS A 73 -0.530 16.175 13.307 1.00 0.00 C ATOM 1198 CG HIS A 73 -1.360 15.208 12.474 1.00 0.00 C ATOM 1199 ND1 HIS A 73 -0.937 14.685 11.275 1.00 0.00 N ATOM 1200 CD2 HIS A 73 -2.631 14.759 12.635 1.00 0.00 C ATOM 1201 CE1 HIS A 73 -1.912 13.969 10.744 1.00 0.00 C ATOM 1202 NE2 HIS A 73 -2.941 13.998 11.548 1.00 0.00 N ATOM 0 H HIS A 73 1.052 14.096 13.614 1.00 0.00 H new ATOM 0 HA HIS A 73 0.595 16.529 15.074 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.162 17.028 13.552 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.278 16.547 12.676 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.279 14.967 13.473 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.866 13.446 9.800 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.832 13.527 11.388 1.00 0.00 H new ATOM 1211 N HIS A 74 -0.948 15.792 16.787 1.00 0.00 N ATOM 1212 CA HIS A 74 -1.939 15.468 17.805 1.00 0.00 C ATOM 1213 C HIS A 74 -2.972 16.556 17.857 1.00 0.00 C ATOM 1214 O HIS A 74 -3.883 16.545 18.687 1.00 0.00 O ATOM 1215 CB HIS A 74 -1.297 15.242 19.176 1.00 0.00 C ATOM 1216 CG HIS A 74 -0.358 14.078 19.189 1.00 0.00 C ATOM 1217 ND1 HIS A 74 1.003 14.204 19.335 1.00 0.00 N ATOM 1218 CD2 HIS A 74 -0.593 12.758 19.038 1.00 0.00 C ATOM 1219 CE1 HIS A 74 1.559 13.015 19.262 1.00 0.00 C ATOM 1220 NE2 HIS A 74 0.616 12.125 19.084 1.00 0.00 N ATOM 0 H HIS A 74 -0.291 16.525 17.052 1.00 0.00 H new ATOM 0 HA HIS A 74 -2.422 14.529 17.533 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.758 16.142 19.473 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.080 15.080 19.917 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.557 12.290 18.906 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.616 12.807 19.336 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.761 11.119 18.994 1.00 0.00 H new ATOM 1229 N HIS A 75 -2.824 17.485 16.941 1.00 0.00 N ATOM 1230 CA HIS A 75 -3.747 18.571 16.768 1.00 0.00 C ATOM 1231 C HIS A 75 -4.967 18.039 16.041 1.00 0.00 C ATOM 1232 O HIS A 75 -4.922 17.795 14.839 1.00 0.00 O ATOM 1233 CB HIS A 75 -3.079 19.716 15.975 1.00 0.00 C ATOM 1234 CG HIS A 75 -3.958 20.918 15.732 1.00 0.00 C ATOM 1235 ND1 HIS A 75 -4.068 21.965 16.615 1.00 0.00 N ATOM 1236 CD2 HIS A 75 -4.755 21.232 14.690 1.00 0.00 C ATOM 1237 CE1 HIS A 75 -4.892 22.864 16.130 1.00 0.00 C ATOM 1238 NE2 HIS A 75 -5.323 22.445 14.963 1.00 0.00 N ATOM 0 H HIS A 75 -2.043 17.503 16.286 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.047 18.976 17.734 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.188 20.039 16.513 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.747 19.326 15.013 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -4.915 20.635 13.804 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.169 23.791 16.610 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.976 22.944 14.358 1.00 0.00 H new ATOM 1247 N HIS A 76 -6.002 17.802 16.796 1.00 0.00 N ATOM 1248 CA HIS A 76 -7.256 17.280 16.316 1.00 0.00 C ATOM 1249 C HIS A 76 -8.216 17.295 17.471 1.00 0.00 C ATOM 1250 O HIS A 76 -8.108 16.426 18.344 1.00 0.00 O ATOM 1251 CB HIS A 76 -7.121 15.844 15.745 1.00 0.00 C ATOM 1252 CG HIS A 76 -8.417 15.268 15.239 1.00 0.00 C ATOM 1253 ND1 HIS A 76 -9.051 14.209 15.838 1.00 0.00 N ATOM 1254 CD2 HIS A 76 -9.189 15.613 14.184 1.00 0.00 C ATOM 1255 CE1 HIS A 76 -10.152 13.927 15.183 1.00 0.00 C ATOM 1256 NE2 HIS A 76 -10.264 14.764 14.174 1.00 0.00 N ATOM 1257 OXT HIS A 76 -9.062 18.190 17.532 1.00 0.00 O ATOM 0 H HIS A 76 -5.998 17.973 17.802 1.00 0.00 H new ATOM 0 HA HIS A 76 -7.613 17.900 15.494 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.396 15.853 14.931 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.722 15.190 16.521 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.994 16.409 13.481 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -10.849 13.140 15.430 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -11.026 14.778 13.496 1.00 0.00 H new TER 1266 HIS A 76