USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=25 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 Single : A 1 GLU N :NH3+ -169:sc= 0 (180deg=-0.083) USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0601 (180deg=-0.386) USER MOD Single : A 6 CYS SG : rot -140:sc= 0.318 USER MOD Single : A 8 THR OG1 : rot 140:sc= -0.0919 USER MOD Single : A 10 THR OG1 : rot 113:sc= 1.33 USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 1.19 (180deg=1.05) USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= -0.0412 (180deg=-0.291) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 47:sc= 1.24 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= -0.855 K(o=-0.85,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0118 (180deg=-0.217) USER MOD Single : A 25 TYR OH : rot -40:sc= -0.794 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.31 (180deg=1.26) USER MOD Single : A 31 SER OG : rot 180:sc= -0.154 USER MOD Single : A 32 THR OG1 : rot -100:sc= 0.114 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -1.79! C(o=-1.8!,f=-6.9!) USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.29) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -105:sc= 0.29 (180deg=-0.0823) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.452 (180deg=-0.827) USER MOD Single : A 71 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.22) USER MOD Single : A 72 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.1!) USER MOD Single : A 73 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.16) USER MOD Single : A 74 HIS : no HE2:sc= 1.05 K(o=1.1,f=-6!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 76 HIS : no HE2:sc= 1 K(o=1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.698 -14.835 -19.845 1.00 0.00 N ATOM 2 CA GLU A 1 7.379 -13.522 -20.388 1.00 0.00 C ATOM 3 C GLU A 1 6.895 -12.634 -19.271 1.00 0.00 C ATOM 4 O GLU A 1 5.942 -12.979 -18.571 1.00 0.00 O ATOM 5 CB GLU A 1 6.322 -13.633 -21.489 1.00 0.00 C ATOM 6 CG GLU A 1 6.748 -14.515 -22.647 1.00 0.00 C ATOM 7 CD GLU A 1 8.093 -14.124 -23.196 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.165 -13.240 -24.058 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.110 -14.699 -22.753 1.00 0.00 O ATOM 0 H1 GLU A 1 8.204 -15.393 -20.562 1.00 0.00 H new ATOM 0 H2 GLU A 1 8.299 -14.726 -19.003 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.819 -15.325 -19.582 1.00 0.00 H new ATOM 0 HA GLU A 1 8.274 -13.088 -20.834 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.402 -14.029 -21.060 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.095 -12.636 -21.866 1.00 0.00 H new ATOM 0 HG2 GLU A 1 6.780 -15.553 -22.317 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.003 -14.455 -23.440 1.00 0.00 H new ATOM 18 N ASP A 2 7.554 -11.514 -19.092 1.00 0.00 N ATOM 19 CA ASP A 2 7.259 -10.596 -18.005 1.00 0.00 C ATOM 20 C ASP A 2 7.446 -9.182 -18.467 1.00 0.00 C ATOM 21 O ASP A 2 7.845 -8.926 -19.617 1.00 0.00 O ATOM 22 CB ASP A 2 8.225 -10.808 -16.810 1.00 0.00 C ATOM 23 CG ASP A 2 8.026 -12.077 -16.027 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.425 -13.150 -16.501 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.496 -12.009 -14.896 1.00 0.00 O ATOM 0 H ASP A 2 8.316 -11.207 -19.697 1.00 0.00 H new ATOM 0 HA ASP A 2 6.231 -10.785 -17.696 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.248 -10.792 -17.186 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.122 -9.963 -16.129 1.00 0.00 H new ATOM 30 N MET A 3 7.167 -8.285 -17.576 1.00 0.00 N ATOM 31 CA MET A 3 7.423 -6.883 -17.722 1.00 0.00 C ATOM 32 C MET A 3 7.627 -6.393 -16.313 1.00 0.00 C ATOM 33 O MET A 3 7.260 -7.111 -15.372 1.00 0.00 O ATOM 34 CB MET A 3 6.252 -6.104 -18.406 1.00 0.00 C ATOM 35 CG MET A 3 5.040 -5.761 -17.517 1.00 0.00 C ATOM 36 SD MET A 3 4.139 -7.189 -16.886 1.00 0.00 S ATOM 37 CE MET A 3 3.551 -7.920 -18.412 1.00 0.00 C ATOM 0 H MET A 3 6.733 -8.519 -16.683 1.00 0.00 H new ATOM 0 HA MET A 3 8.281 -6.715 -18.373 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.652 -5.174 -18.811 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.898 -6.694 -19.252 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.384 -5.164 -16.673 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.352 -5.138 -18.089 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.755 -8.632 -18.192 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.167 -7.137 -19.066 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.373 -8.437 -18.908 1.00 0.00 H new ATOM 47 N GLU A 4 8.210 -5.244 -16.137 1.00 0.00 N ATOM 48 CA GLU A 4 8.398 -4.718 -14.815 1.00 0.00 C ATOM 49 C GLU A 4 7.083 -4.167 -14.285 1.00 0.00 C ATOM 50 O GLU A 4 6.513 -3.234 -14.881 1.00 0.00 O ATOM 51 CB GLU A 4 9.483 -3.646 -14.781 1.00 0.00 C ATOM 52 CG GLU A 4 10.866 -4.160 -15.141 1.00 0.00 C ATOM 53 CD GLU A 4 11.937 -3.170 -14.788 1.00 0.00 C ATOM 54 OE1 GLU A 4 12.272 -3.062 -13.589 1.00 0.00 O ATOM 55 OE2 GLU A 4 12.453 -2.469 -15.685 1.00 0.00 O ATOM 0 H GLU A 4 8.563 -4.653 -16.890 1.00 0.00 H new ATOM 0 HA GLU A 4 8.730 -5.533 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.212 -2.847 -15.471 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.517 -3.208 -13.783 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.052 -5.099 -14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.907 -4.375 -16.209 1.00 0.00 H new ATOM 62 N PRO A 5 6.549 -4.745 -13.191 1.00 0.00 N ATOM 63 CA PRO A 5 5.298 -4.296 -12.599 1.00 0.00 C ATOM 64 C PRO A 5 5.447 -2.927 -11.934 1.00 0.00 C ATOM 65 O PRO A 5 6.552 -2.339 -11.897 1.00 0.00 O ATOM 66 CB PRO A 5 4.974 -5.374 -11.550 1.00 0.00 C ATOM 67 CG PRO A 5 5.880 -6.506 -11.867 1.00 0.00 C ATOM 68 CD PRO A 5 7.107 -5.885 -12.443 1.00 0.00 C ATOM 0 HA PRO A 5 4.513 -4.176 -13.345 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.144 -5.004 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.929 -5.678 -11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.115 -7.083 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.417 -7.192 -12.576 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.804 -5.564 -11.669 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.647 -6.574 -13.092 1.00 0.00 H new ATOM 76 N CYS A 6 4.374 -2.418 -11.416 1.00 0.00 N ATOM 77 CA CYS A 6 4.384 -1.124 -10.811 1.00 0.00 C ATOM 78 C CYS A 6 4.905 -1.207 -9.380 1.00 0.00 C ATOM 79 O CYS A 6 4.151 -1.483 -8.456 1.00 0.00 O ATOM 80 CB CYS A 6 2.992 -0.521 -10.841 1.00 0.00 C ATOM 81 SG CYS A 6 2.207 -0.525 -12.480 1.00 0.00 S ATOM 0 H CYS A 6 3.468 -2.887 -11.400 1.00 0.00 H new ATOM 0 HA CYS A 6 5.053 -0.478 -11.379 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.357 -1.070 -10.146 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.046 0.506 -10.480 1.00 0.00 H new ATOM 0 HG CYS A 6 1.566 0.592 -12.657 1.00 0.00 H new ATOM 87 N LEU A 7 6.225 -1.027 -9.251 1.00 0.00 N ATOM 88 CA LEU A 7 6.962 -1.029 -7.980 1.00 0.00 C ATOM 89 C LEU A 7 6.572 -2.124 -6.965 1.00 0.00 C ATOM 90 O LEU A 7 6.269 -1.859 -5.791 1.00 0.00 O ATOM 91 CB LEU A 7 7.275 0.401 -7.355 1.00 0.00 C ATOM 92 CG LEU A 7 6.147 1.485 -7.160 1.00 0.00 C ATOM 93 CD1 LEU A 7 5.538 1.985 -8.469 1.00 0.00 C ATOM 94 CD2 LEU A 7 5.074 1.023 -6.207 1.00 0.00 C ATOM 0 H LEU A 7 6.831 -0.870 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 7 7.946 -1.365 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.718 0.227 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.046 0.856 -7.977 1.00 0.00 H new ATOM 0 HG LEU A 7 6.654 2.340 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.770 2.728 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.317 2.436 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.092 1.148 -9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.319 1.802 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.609 0.116 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.517 0.816 -5.233 1.00 0.00 H new ATOM 106 N THR A 8 6.593 -3.347 -7.434 1.00 0.00 N ATOM 107 CA THR A 8 6.284 -4.498 -6.647 1.00 0.00 C ATOM 108 C THR A 8 7.433 -4.857 -5.701 1.00 0.00 C ATOM 109 O THR A 8 8.614 -4.565 -5.977 1.00 0.00 O ATOM 110 CB THR A 8 5.967 -5.654 -7.587 1.00 0.00 C ATOM 111 OG1 THR A 8 6.732 -5.471 -8.797 1.00 0.00 O ATOM 112 CG2 THR A 8 4.483 -5.691 -7.915 1.00 0.00 C ATOM 0 H THR A 8 6.833 -3.567 -8.401 1.00 0.00 H new ATOM 0 HA THR A 8 5.419 -4.284 -6.020 1.00 0.00 H new ATOM 0 HB THR A 8 6.228 -6.598 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.076 -6.337 -9.101 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.280 -6.524 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.910 -5.818 -6.996 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.193 -4.757 -8.397 1.00 0.00 H new ATOM 120 N GLY A 9 7.093 -5.461 -4.582 1.00 0.00 N ATOM 121 CA GLY A 9 8.083 -5.804 -3.588 1.00 0.00 C ATOM 122 C GLY A 9 8.149 -4.750 -2.517 1.00 0.00 C ATOM 123 O GLY A 9 8.862 -4.890 -1.513 1.00 0.00 O ATOM 0 H GLY A 9 6.138 -5.724 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.839 -6.768 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.059 -5.910 -4.061 1.00 0.00 H new ATOM 127 N THR A 10 7.426 -3.684 -2.736 1.00 0.00 N ATOM 128 CA THR A 10 7.383 -2.604 -1.813 1.00 0.00 C ATOM 129 C THR A 10 6.218 -2.809 -0.869 1.00 0.00 C ATOM 130 O THR A 10 5.053 -2.869 -1.315 1.00 0.00 O ATOM 131 CB THR A 10 7.143 -1.289 -2.554 1.00 0.00 C ATOM 132 OG1 THR A 10 7.921 -1.264 -3.763 1.00 0.00 O ATOM 133 CG2 THR A 10 7.529 -0.098 -1.684 1.00 0.00 C ATOM 0 H THR A 10 6.851 -3.549 -3.567 1.00 0.00 H new ATOM 0 HA THR A 10 8.330 -2.567 -1.274 1.00 0.00 H new ATOM 0 HB THR A 10 6.082 -1.220 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.322 -1.288 -4.538 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.349 0.827 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.929 -0.102 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.585 -0.166 -1.422 1.00 0.00 H new ATOM 141 N LYS A 11 6.497 -2.962 0.390 1.00 0.00 N ATOM 142 CA LYS A 11 5.441 -2.977 1.333 1.00 0.00 C ATOM 143 C LYS A 11 5.352 -1.595 1.902 1.00 0.00 C ATOM 144 O LYS A 11 6.377 -0.956 2.194 1.00 0.00 O ATOM 145 CB LYS A 11 5.546 -4.046 2.451 1.00 0.00 C ATOM 146 CG LYS A 11 6.544 -3.774 3.567 1.00 0.00 C ATOM 147 CD LYS A 11 6.261 -4.690 4.747 1.00 0.00 C ATOM 148 CE LYS A 11 7.148 -4.382 5.934 1.00 0.00 C ATOM 149 NZ LYS A 11 6.751 -5.172 7.116 1.00 0.00 N ATOM 0 H LYS A 11 7.434 -3.076 0.776 1.00 0.00 H new ATOM 0 HA LYS A 11 4.532 -3.271 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.560 -4.167 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.805 -4.998 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.560 -3.935 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.478 -2.732 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.216 -4.590 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.409 -5.727 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.186 -4.598 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.091 -3.319 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.495 -5.112 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.862 -4.796 7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.616 -6.166 6.840 1.00 0.00 H new ATOM 163 N VAL A 12 4.178 -1.123 1.984 1.00 0.00 N ATOM 164 CA VAL A 12 3.891 0.190 2.425 1.00 0.00 C ATOM 165 C VAL A 12 2.885 0.121 3.549 1.00 0.00 C ATOM 166 O VAL A 12 2.392 -0.963 3.903 1.00 0.00 O ATOM 167 CB VAL A 12 3.299 1.040 1.265 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.284 1.144 0.121 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.997 0.436 0.763 1.00 0.00 C ATOM 0 H VAL A 12 3.346 -1.659 1.736 1.00 0.00 H new ATOM 0 HA VAL A 12 4.814 0.657 2.768 1.00 0.00 H new ATOM 0 HB VAL A 12 3.099 2.039 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.850 1.743 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.201 1.618 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.512 0.146 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.601 1.047 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.181 -0.575 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.274 0.402 1.578 1.00 0.00 H new ATOM 179 N LYS A 13 2.576 1.240 4.082 1.00 0.00 N ATOM 180 CA LYS A 13 1.620 1.346 5.124 1.00 0.00 C ATOM 181 C LYS A 13 0.394 2.020 4.511 1.00 0.00 C ATOM 182 O LYS A 13 0.528 3.030 3.848 1.00 0.00 O ATOM 183 CB LYS A 13 2.233 2.199 6.219 1.00 0.00 C ATOM 184 CG LYS A 13 2.241 1.599 7.608 1.00 0.00 C ATOM 185 CD LYS A 13 0.851 1.449 8.145 1.00 0.00 C ATOM 186 CE LYS A 13 0.857 1.185 9.634 1.00 0.00 C ATOM 187 NZ LYS A 13 1.537 -0.071 10.002 1.00 0.00 N ATOM 0 H LYS A 13 2.987 2.131 3.803 1.00 0.00 H new ATOM 0 HA LYS A 13 1.335 0.385 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.261 2.429 5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.694 3.146 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.730 0.625 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.825 2.232 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.280 2.354 7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.348 0.630 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.346 2.017 10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.171 1.152 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.871 -0.692 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.873 -0.549 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.347 0.141 10.619 1.00 0.00 H new ATOM 201 N VAL A 14 -0.765 1.459 4.690 1.00 0.00 N ATOM 202 CA VAL A 14 -1.969 1.970 4.033 1.00 0.00 C ATOM 203 C VAL A 14 -3.052 2.314 5.046 1.00 0.00 C ATOM 204 O VAL A 14 -3.271 1.580 5.987 1.00 0.00 O ATOM 205 CB VAL A 14 -2.530 0.923 3.014 1.00 0.00 C ATOM 206 CG1 VAL A 14 -3.832 1.383 2.388 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.516 0.634 1.927 1.00 0.00 C ATOM 0 H VAL A 14 -0.920 0.644 5.284 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.685 2.879 3.502 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.728 0.009 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.186 0.627 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.578 1.532 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.669 2.321 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.928 -0.096 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.284 1.555 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.606 0.235 2.375 1.00 0.00 H new ATOM 217 N LYS A 15 -3.695 3.431 4.857 1.00 0.00 N ATOM 218 CA LYS A 15 -4.805 3.829 5.682 1.00 0.00 C ATOM 219 C LYS A 15 -6.076 3.709 4.856 1.00 0.00 C ATOM 220 O LYS A 15 -6.045 3.902 3.646 1.00 0.00 O ATOM 221 CB LYS A 15 -4.619 5.274 6.163 1.00 0.00 C ATOM 222 CG LYS A 15 -5.731 5.781 7.082 1.00 0.00 C ATOM 223 CD LYS A 15 -5.499 7.220 7.528 1.00 0.00 C ATOM 224 CE LYS A 15 -4.257 7.351 8.397 1.00 0.00 C ATOM 225 NZ LYS A 15 -4.018 8.744 8.828 1.00 0.00 N ATOM 0 H LYS A 15 -3.463 4.098 4.121 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.867 3.187 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.667 5.350 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.556 5.928 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.687 5.713 6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.797 5.137 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.398 7.860 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.369 7.573 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.362 6.714 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.390 6.990 7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.162 8.783 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.891 9.349 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.833 9.082 9.379 1.00 0.00 H new ATOM 239 N TYR A 16 -7.161 3.365 5.494 1.00 0.00 N ATOM 240 CA TYR A 16 -8.439 3.220 4.838 1.00 0.00 C ATOM 241 C TYR A 16 -9.499 3.459 5.897 1.00 0.00 C ATOM 242 O TYR A 16 -9.569 2.704 6.877 1.00 0.00 O ATOM 243 CB TYR A 16 -8.546 1.794 4.297 1.00 0.00 C ATOM 244 CG TYR A 16 -9.658 1.522 3.304 1.00 0.00 C ATOM 245 CD1 TYR A 16 -9.465 1.744 1.944 1.00 0.00 C ATOM 246 CD2 TYR A 16 -10.870 0.993 3.713 1.00 0.00 C ATOM 247 CE1 TYR A 16 -10.448 1.444 1.020 1.00 0.00 C ATOM 248 CE2 TYR A 16 -11.868 0.699 2.798 1.00 0.00 C ATOM 249 CZ TYR A 16 -11.648 0.923 1.454 1.00 0.00 C ATOM 250 OH TYR A 16 -12.624 0.598 0.542 1.00 0.00 O ATOM 0 H TYR A 16 -7.187 3.174 6.496 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.560 3.919 4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.598 1.538 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.673 1.118 5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.528 2.159 1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -11.041 0.806 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.277 1.616 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.812 0.297 3.134 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.228 0.083 -0.192 1.00 0.00 H new ATOM 260 N GLY A 17 -10.273 4.514 5.750 1.00 0.00 N ATOM 261 CA GLY A 17 -11.251 4.827 6.758 1.00 0.00 C ATOM 262 C GLY A 17 -12.586 5.251 6.219 1.00 0.00 C ATOM 263 O GLY A 17 -12.701 6.279 5.552 1.00 0.00 O ATOM 0 H GLY A 17 -10.243 5.155 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.391 3.953 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.860 5.623 7.391 1.00 0.00 H new ATOM 267 N ARG A 18 -13.570 4.428 6.454 1.00 0.00 N ATOM 268 CA ARG A 18 -14.944 4.713 6.133 1.00 0.00 C ATOM 269 C ARG A 18 -15.865 4.071 7.167 1.00 0.00 C ATOM 270 O ARG A 18 -16.001 2.843 7.223 1.00 0.00 O ATOM 271 CB ARG A 18 -15.301 4.304 4.695 1.00 0.00 C ATOM 272 CG ARG A 18 -14.917 2.884 4.310 1.00 0.00 C ATOM 273 CD ARG A 18 -15.312 2.593 2.877 1.00 0.00 C ATOM 274 NE ARG A 18 -14.716 3.550 1.923 1.00 0.00 N ATOM 275 CZ ARG A 18 -14.736 3.407 0.591 1.00 0.00 C ATOM 276 NH1 ARG A 18 -15.260 2.319 0.044 1.00 0.00 N ATOM 277 NH2 ARG A 18 -14.219 4.336 -0.184 1.00 0.00 N ATOM 0 H ARG A 18 -13.436 3.514 6.886 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.089 5.792 6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.376 4.422 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.813 4.994 4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.842 2.747 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.406 2.176 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.000 1.582 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.398 2.625 2.789 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.257 4.377 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.650 1.587 0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.273 2.214 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.801 5.170 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.237 4.223 -1.198 1.00 0.00 H new ATOM 291 N GLY A 19 -16.424 4.895 8.019 1.00 0.00 N ATOM 292 CA GLY A 19 -17.325 4.432 9.049 1.00 0.00 C ATOM 293 C GLY A 19 -16.592 3.707 10.149 1.00 0.00 C ATOM 294 O GLY A 19 -15.692 4.266 10.787 1.00 0.00 O ATOM 0 H GLY A 19 -16.269 5.903 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.864 5.281 9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.069 3.768 8.609 1.00 0.00 H new ATOM 298 N LYS A 20 -16.947 2.466 10.352 1.00 0.00 N ATOM 299 CA LYS A 20 -16.303 1.631 11.343 1.00 0.00 C ATOM 300 C LYS A 20 -15.076 0.995 10.717 1.00 0.00 C ATOM 301 O LYS A 20 -14.136 0.589 11.408 1.00 0.00 O ATOM 302 CB LYS A 20 -17.243 0.528 11.819 1.00 0.00 C ATOM 303 CG LYS A 20 -18.554 1.008 12.423 1.00 0.00 C ATOM 304 CD LYS A 20 -19.410 -0.169 12.900 1.00 0.00 C ATOM 305 CE LYS A 20 -19.715 -1.133 11.764 1.00 0.00 C ATOM 306 NZ LYS A 20 -20.566 -2.250 12.184 1.00 0.00 N ATOM 0 H LYS A 20 -17.693 2.000 9.835 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.028 2.247 12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.468 -0.124 10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.721 -0.077 12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.349 1.674 13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.107 1.587 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.890 -0.699 13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.343 0.205 13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.206 -0.592 10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.780 -1.524 11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.743 -2.876 11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.089 -2.786 12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.471 -1.882 12.541 1.00 0.00 H new ATOM 320 N THR A 21 -15.076 0.936 9.401 1.00 0.00 N ATOM 321 CA THR A 21 -13.993 0.362 8.670 1.00 0.00 C ATOM 322 C THR A 21 -12.848 1.379 8.550 1.00 0.00 C ATOM 323 O THR A 21 -12.707 2.082 7.552 1.00 0.00 O ATOM 324 CB THR A 21 -14.471 -0.142 7.283 1.00 0.00 C ATOM 325 OG1 THR A 21 -15.563 -1.064 7.484 1.00 0.00 O ATOM 326 CG2 THR A 21 -13.353 -0.847 6.515 1.00 0.00 C ATOM 0 H THR A 21 -15.835 1.289 8.818 1.00 0.00 H new ATOM 0 HA THR A 21 -13.615 -0.506 9.210 1.00 0.00 H new ATOM 0 HB THR A 21 -14.785 0.719 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.879 -1.391 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.731 -1.184 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.526 -0.154 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.004 -1.706 7.088 1.00 0.00 H new ATOM 334 N GLN A 22 -12.124 1.517 9.631 1.00 0.00 N ATOM 335 CA GLN A 22 -10.987 2.394 9.724 1.00 0.00 C ATOM 336 C GLN A 22 -9.815 1.625 10.266 1.00 0.00 C ATOM 337 O GLN A 22 -9.817 1.213 11.421 1.00 0.00 O ATOM 338 CB GLN A 22 -11.301 3.589 10.634 1.00 0.00 C ATOM 339 CG GLN A 22 -10.107 4.498 10.940 1.00 0.00 C ATOM 340 CD GLN A 22 -9.561 5.228 9.732 1.00 0.00 C ATOM 341 OE1 GLN A 22 -10.005 6.321 9.406 1.00 0.00 O ATOM 342 NE2 GLN A 22 -8.571 4.666 9.086 1.00 0.00 N ATOM 0 H GLN A 22 -12.315 1.008 10.494 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.747 2.776 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.084 4.187 10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.704 3.214 11.575 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.405 5.231 11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.310 3.898 11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.222 3.754 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.149 5.140 8.288 1.00 0.00 H new ATOM 351 N LYS A 23 -8.861 1.376 9.429 1.00 0.00 N ATOM 352 CA LYS A 23 -7.662 0.693 9.824 1.00 0.00 C ATOM 353 C LYS A 23 -6.489 1.320 9.160 1.00 0.00 C ATOM 354 O LYS A 23 -6.642 2.123 8.214 1.00 0.00 O ATOM 355 CB LYS A 23 -7.639 -0.797 9.443 1.00 0.00 C ATOM 356 CG LYS A 23 -8.675 -1.688 10.059 1.00 0.00 C ATOM 357 CD LYS A 23 -10.017 -1.588 9.374 1.00 0.00 C ATOM 358 CE LYS A 23 -10.917 -2.681 9.856 1.00 0.00 C ATOM 359 NZ LYS A 23 -11.117 -2.637 11.320 1.00 0.00 N ATOM 0 H LYS A 23 -8.887 1.641 8.444 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.627 0.773 10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.736 -0.868 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.658 -1.195 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.329 -2.721 10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.790 -1.430 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.468 -0.617 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.890 -1.659 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.883 -2.600 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.494 -3.646 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.907 -3.261 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.251 -2.956 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.334 -1.663 11.612 1.00 0.00 H new ATOM 373 N ILE A 24 -5.345 0.992 9.666 1.00 0.00 N ATOM 374 CA ILE A 24 -4.109 1.343 9.072 1.00 0.00 C ATOM 375 C ILE A 24 -3.329 0.017 8.948 1.00 0.00 C ATOM 376 O ILE A 24 -2.889 -0.566 9.943 1.00 0.00 O ATOM 377 CB ILE A 24 -3.283 2.423 9.879 1.00 0.00 C ATOM 378 CG1 ILE A 24 -4.125 3.675 10.267 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.128 2.893 9.031 1.00 0.00 C ATOM 380 CD1 ILE A 24 -5.061 3.503 11.457 1.00 0.00 C ATOM 0 H ILE A 24 -5.248 0.457 10.529 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.284 1.823 8.109 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.952 1.940 10.798 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.442 4.496 10.482 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.718 3.972 9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.553 3.638 9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.486 2.046 8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.509 3.335 8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.596 4.436 11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.777 2.709 11.245 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.481 3.241 12.342 1.00 0.00 H new ATOM 392 N TYR A 25 -3.200 -0.453 7.736 1.00 0.00 N ATOM 393 CA TYR A 25 -2.702 -1.793 7.431 1.00 0.00 C ATOM 394 C TYR A 25 -1.302 -1.704 6.828 1.00 0.00 C ATOM 395 O TYR A 25 -0.848 -0.629 6.450 1.00 0.00 O ATOM 396 CB TYR A 25 -3.558 -2.480 6.338 1.00 0.00 C ATOM 397 CG TYR A 25 -5.079 -2.346 6.379 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.692 -1.266 5.757 1.00 0.00 C ATOM 399 CD2 TYR A 25 -5.902 -3.329 6.939 1.00 0.00 C ATOM 400 CE1 TYR A 25 -7.058 -1.152 5.701 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.280 -3.224 6.867 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.849 -2.129 6.247 1.00 0.00 C ATOM 403 OH TYR A 25 -9.223 -2.019 6.156 1.00 0.00 O ATOM 0 H TYR A 25 -3.440 0.088 6.905 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.727 -2.351 8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.223 -2.099 5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.323 -3.544 6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.079 -0.499 5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.457 -4.180 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.510 -0.293 5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.907 -3.994 7.293 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.487 -1.086 6.300 1.00 0.00 H new ATOM 413 N GLU A 26 -0.640 -2.830 6.740 1.00 0.00 N ATOM 414 CA GLU A 26 0.596 -2.945 5.998 1.00 0.00 C ATOM 415 C GLU A 26 0.254 -3.719 4.735 1.00 0.00 C ATOM 416 O GLU A 26 -0.368 -4.796 4.799 1.00 0.00 O ATOM 417 CB GLU A 26 1.670 -3.698 6.795 1.00 0.00 C ATOM 418 CG GLU A 26 2.287 -2.915 7.942 1.00 0.00 C ATOM 419 CD GLU A 26 3.266 -3.746 8.741 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.339 -4.148 8.195 1.00 0.00 O ATOM 421 OE2 GLU A 26 2.986 -4.031 9.918 1.00 0.00 O ATOM 0 H GLU A 26 -0.942 -3.698 7.182 1.00 0.00 H new ATOM 0 HA GLU A 26 1.004 -1.958 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.230 -4.612 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.464 -3.998 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.797 -2.036 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.496 -2.555 8.601 1.00 0.00 H new ATOM 428 N ALA A 27 0.596 -3.171 3.607 1.00 0.00 N ATOM 429 CA ALA A 27 0.208 -3.751 2.350 1.00 0.00 C ATOM 430 C ALA A 27 1.350 -3.713 1.370 1.00 0.00 C ATOM 431 O ALA A 27 2.265 -2.964 1.536 1.00 0.00 O ATOM 432 CB ALA A 27 -0.985 -2.994 1.786 1.00 0.00 C ATOM 0 H ALA A 27 1.147 -2.316 3.529 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.067 -4.793 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.278 -3.435 0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.819 -3.055 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.714 -1.949 1.635 1.00 0.00 H new ATOM 438 N SER A 28 1.294 -4.531 0.377 1.00 0.00 N ATOM 439 CA SER A 28 2.291 -4.543 -0.657 1.00 0.00 C ATOM 440 C SER A 28 1.679 -3.977 -1.928 1.00 0.00 C ATOM 441 O SER A 28 0.496 -4.159 -2.165 1.00 0.00 O ATOM 442 CB SER A 28 2.758 -5.967 -0.878 1.00 0.00 C ATOM 443 OG SER A 28 3.200 -6.539 0.346 1.00 0.00 O ATOM 0 H SER A 28 0.552 -5.220 0.251 1.00 0.00 H new ATOM 0 HA SER A 28 3.149 -3.934 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.945 -6.563 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.568 -5.982 -1.607 1.00 0.00 H new ATOM 0 HG SER A 28 3.497 -7.459 0.188 1.00 0.00 H new ATOM 449 N ILE A 29 2.445 -3.262 -2.707 1.00 0.00 N ATOM 450 CA ILE A 29 1.926 -2.705 -3.940 1.00 0.00 C ATOM 451 C ILE A 29 1.834 -3.787 -5.018 1.00 0.00 C ATOM 452 O ILE A 29 2.768 -4.577 -5.202 1.00 0.00 O ATOM 453 CB ILE A 29 2.781 -1.516 -4.447 1.00 0.00 C ATOM 454 CG1 ILE A 29 2.885 -0.417 -3.374 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.201 -0.947 -5.738 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.548 0.144 -2.920 1.00 0.00 C ATOM 0 H ILE A 29 3.424 -3.049 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 29 0.927 -2.324 -3.727 1.00 0.00 H new ATOM 0 HB ILE A 29 3.785 -1.887 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.409 -0.820 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.494 0.398 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.816 -0.113 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.187 -1.723 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.184 -0.598 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.713 0.912 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.028 0.580 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.942 -0.657 -2.497 1.00 0.00 H new ATOM 468 N LYS A 30 0.690 -3.857 -5.668 1.00 0.00 N ATOM 469 CA LYS A 30 0.456 -4.811 -6.732 1.00 0.00 C ATOM 470 C LYS A 30 0.626 -4.145 -8.071 1.00 0.00 C ATOM 471 O LYS A 30 1.335 -4.627 -8.950 1.00 0.00 O ATOM 472 CB LYS A 30 -0.965 -5.331 -6.657 1.00 0.00 C ATOM 473 CG LYS A 30 -1.299 -5.980 -5.350 1.00 0.00 C ATOM 474 CD LYS A 30 -1.816 -7.377 -5.553 1.00 0.00 C ATOM 475 CE LYS A 30 -3.115 -7.407 -6.344 1.00 0.00 C ATOM 476 NZ LYS A 30 -3.768 -8.721 -6.250 1.00 0.00 N ATOM 0 H LYS A 30 -0.107 -3.251 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 30 1.170 -5.627 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.655 -4.505 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.122 -6.050 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.412 -6.006 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.047 -5.385 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.063 -7.968 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.974 -7.847 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.789 -6.636 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.912 -7.173 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.576 -8.755 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.087 -9.466 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.104 -8.873 -5.278 1.00 0.00 H new ATOM 490 N SER A 31 -0.076 -3.052 -8.241 1.00 0.00 N ATOM 491 CA SER A 31 -0.083 -2.313 -9.476 1.00 0.00 C ATOM 492 C SER A 31 -0.445 -0.862 -9.188 1.00 0.00 C ATOM 493 O SER A 31 -0.884 -0.534 -8.075 1.00 0.00 O ATOM 494 CB SER A 31 -1.120 -2.925 -10.431 1.00 0.00 C ATOM 495 OG SER A 31 -0.858 -4.310 -10.649 1.00 0.00 O ATOM 0 H SER A 31 -0.666 -2.646 -7.515 1.00 0.00 H new ATOM 0 HA SER A 31 0.903 -2.358 -9.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.120 -2.801 -10.016 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.102 -2.393 -11.382 1.00 0.00 H new ATOM 0 HG SER A 31 -1.531 -4.678 -11.258 1.00 0.00 H new ATOM 501 N THR A 32 -0.241 -0.001 -10.149 1.00 0.00 N ATOM 502 CA THR A 32 -0.611 1.379 -10.024 1.00 0.00 C ATOM 503 C THR A 32 -1.257 1.786 -11.326 1.00 0.00 C ATOM 504 O THR A 32 -0.838 1.314 -12.399 1.00 0.00 O ATOM 505 CB THR A 32 0.617 2.266 -9.814 1.00 0.00 C ATOM 506 OG1 THR A 32 1.567 1.595 -8.982 1.00 0.00 O ATOM 507 CG2 THR A 32 0.220 3.519 -9.108 1.00 0.00 C ATOM 0 H THR A 32 0.188 -0.240 -11.043 1.00 0.00 H new ATOM 0 HA THR A 32 -1.277 1.497 -9.169 1.00 0.00 H new ATOM 0 HB THR A 32 1.048 2.489 -10.790 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.492 1.930 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.098 4.148 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.515 4.057 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.214 3.269 -8.140 1.00 0.00 H new ATOM 515 N GLU A 33 -2.252 2.608 -11.248 1.00 0.00 N ATOM 516 CA GLU A 33 -2.943 3.097 -12.428 1.00 0.00 C ATOM 517 C GLU A 33 -3.377 4.509 -12.241 1.00 0.00 C ATOM 518 O GLU A 33 -3.447 5.010 -11.127 1.00 0.00 O ATOM 519 CB GLU A 33 -4.172 2.262 -12.812 1.00 0.00 C ATOM 520 CG GLU A 33 -3.867 0.903 -13.416 1.00 0.00 C ATOM 521 CD GLU A 33 -5.106 0.182 -13.890 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.765 0.666 -14.842 1.00 0.00 O ATOM 523 OE2 GLU A 33 -5.438 -0.889 -13.352 1.00 0.00 O ATOM 0 H GLU A 33 -2.621 2.969 -10.368 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.217 3.018 -13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.785 2.117 -11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.771 2.832 -13.523 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.182 1.029 -14.255 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.355 0.288 -12.676 1.00 0.00 H new ATOM 530 N ILE A 34 -3.671 5.138 -13.323 1.00 0.00 N ATOM 531 CA ILE A 34 -4.177 6.465 -13.321 1.00 0.00 C ATOM 532 C ILE A 34 -5.614 6.353 -13.707 1.00 0.00 C ATOM 533 O ILE A 34 -5.949 5.949 -14.831 1.00 0.00 O ATOM 534 CB ILE A 34 -3.433 7.419 -14.314 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.963 7.680 -13.910 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.177 8.754 -14.455 1.00 0.00 C ATOM 537 CD1 ILE A 34 -1.045 6.474 -13.901 1.00 0.00 C ATOM 0 H ILE A 34 -3.564 4.736 -14.254 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.032 6.906 -12.335 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.421 6.906 -15.276 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.547 8.421 -14.592 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.955 8.123 -12.914 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.639 9.399 -15.150 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.183 8.572 -14.833 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.238 9.241 -13.482 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.043 6.782 -13.603 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.423 5.734 -13.195 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.008 6.037 -14.899 1.00 0.00 H new ATOM 549 N ASP A 35 -6.442 6.658 -12.795 1.00 0.00 N ATOM 550 CA ASP A 35 -7.851 6.504 -12.976 1.00 0.00 C ATOM 551 C ASP A 35 -8.521 7.827 -12.759 1.00 0.00 C ATOM 552 O ASP A 35 -8.615 8.317 -11.628 1.00 0.00 O ATOM 553 CB ASP A 35 -8.401 5.420 -12.035 1.00 0.00 C ATOM 554 CG ASP A 35 -9.889 5.168 -12.191 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.308 4.568 -13.202 1.00 0.00 O ATOM 556 OD2 ASP A 35 -10.661 5.545 -11.294 1.00 0.00 O ATOM 0 H ASP A 35 -6.173 7.028 -11.883 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.060 6.175 -13.994 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.864 4.489 -12.216 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.198 5.710 -11.004 1.00 0.00 H new ATOM 561 N ASP A 36 -8.913 8.422 -13.863 1.00 0.00 N ATOM 562 CA ASP A 36 -9.566 9.728 -13.919 1.00 0.00 C ATOM 563 C ASP A 36 -8.714 10.833 -13.280 1.00 0.00 C ATOM 564 O ASP A 36 -8.999 11.327 -12.182 1.00 0.00 O ATOM 565 CB ASP A 36 -11.010 9.702 -13.377 1.00 0.00 C ATOM 566 CG ASP A 36 -11.758 11.008 -13.600 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.230 11.252 -14.745 1.00 0.00 O ATOM 568 OD2 ASP A 36 -11.896 11.805 -12.652 1.00 0.00 O ATOM 0 H ASP A 36 -8.785 8.002 -14.784 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.653 9.978 -14.976 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.557 8.891 -13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.987 9.482 -12.310 1.00 0.00 H new ATOM 573 N GLY A 37 -7.577 11.080 -13.895 1.00 0.00 N ATOM 574 CA GLY A 37 -6.712 12.189 -13.503 1.00 0.00 C ATOM 575 C GLY A 37 -5.762 11.908 -12.342 1.00 0.00 C ATOM 576 O GLY A 37 -4.704 12.531 -12.244 1.00 0.00 O ATOM 0 H GLY A 37 -7.222 10.527 -14.675 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.120 12.488 -14.368 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.340 13.039 -13.237 1.00 0.00 H new ATOM 580 N GLU A 38 -6.105 10.992 -11.472 1.00 0.00 N ATOM 581 CA GLU A 38 -5.277 10.734 -10.313 1.00 0.00 C ATOM 582 C GLU A 38 -4.697 9.336 -10.306 1.00 0.00 C ATOM 583 O GLU A 38 -5.201 8.438 -10.998 1.00 0.00 O ATOM 584 CB GLU A 38 -6.022 11.056 -9.028 1.00 0.00 C ATOM 585 CG GLU A 38 -7.371 10.380 -8.856 1.00 0.00 C ATOM 586 CD GLU A 38 -8.049 10.846 -7.595 1.00 0.00 C ATOM 587 OE1 GLU A 38 -8.358 12.051 -7.483 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.236 10.056 -6.661 1.00 0.00 O ATOM 0 H GLU A 38 -6.943 10.415 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.421 11.406 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.389 10.780 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.169 12.135 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.004 10.599 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.239 9.299 -8.824 1.00 0.00 H new ATOM 595 N VAL A 39 -3.649 9.148 -9.524 1.00 0.00 N ATOM 596 CA VAL A 39 -2.952 7.883 -9.488 1.00 0.00 C ATOM 597 C VAL A 39 -3.415 7.075 -8.302 1.00 0.00 C ATOM 598 O VAL A 39 -3.309 7.510 -7.145 1.00 0.00 O ATOM 599 CB VAL A 39 -1.404 8.039 -9.435 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.711 6.710 -9.750 1.00 0.00 C ATOM 601 CG2 VAL A 39 -0.914 9.147 -10.359 1.00 0.00 C ATOM 0 H VAL A 39 -3.264 9.861 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.192 7.368 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.139 8.328 -8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.370 6.844 -9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.013 5.960 -9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.996 6.379 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.171 9.223 -10.292 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.199 8.917 -11.386 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.363 10.094 -10.061 1.00 0.00 H new ATOM 611 N LEU A 40 -3.931 5.923 -8.590 1.00 0.00 N ATOM 612 CA LEU A 40 -4.424 5.036 -7.595 1.00 0.00 C ATOM 613 C LEU A 40 -3.577 3.796 -7.595 1.00 0.00 C ATOM 614 O LEU A 40 -3.111 3.338 -8.652 1.00 0.00 O ATOM 615 CB LEU A 40 -5.889 4.676 -7.864 1.00 0.00 C ATOM 616 CG LEU A 40 -6.873 5.851 -7.959 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.283 5.346 -8.172 1.00 0.00 C ATOM 618 CD2 LEU A 40 -6.802 6.723 -6.716 1.00 0.00 C ATOM 0 H LEU A 40 -4.022 5.569 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.374 5.522 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.937 4.113 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.228 4.009 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.589 6.461 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.967 6.192 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.328 4.772 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.572 4.710 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.509 7.548 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.053 6.127 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.793 7.121 -6.608 1.00 0.00 H new ATOM 630 N TYR A 41 -3.359 3.270 -6.450 1.00 0.00 N ATOM 631 CA TYR A 41 -2.572 2.095 -6.289 1.00 0.00 C ATOM 632 C TYR A 41 -3.459 0.958 -5.922 1.00 0.00 C ATOM 633 O TYR A 41 -4.489 1.145 -5.276 1.00 0.00 O ATOM 634 CB TYR A 41 -1.524 2.276 -5.189 1.00 0.00 C ATOM 635 CG TYR A 41 -0.411 3.243 -5.508 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.588 4.615 -5.393 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.830 2.775 -5.899 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.445 5.492 -5.661 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.868 3.641 -6.175 1.00 0.00 C ATOM 640 CZ TYR A 41 1.673 4.998 -6.054 1.00 0.00 C ATOM 641 OH TYR A 41 2.713 5.863 -6.321 1.00 0.00 O ATOM 0 H TYR A 41 -3.727 3.647 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.060 1.897 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.027 2.614 -4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.085 1.304 -4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.549 5.003 -5.089 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.990 1.711 -5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.293 6.557 -5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.828 3.256 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 41 3.506 5.350 -6.583 1.00 0.00 H new ATOM 651 N LEU A 42 -3.067 -0.197 -6.316 1.00 0.00 N ATOM 652 CA LEU A 42 -3.757 -1.380 -5.966 1.00 0.00 C ATOM 653 C LEU A 42 -2.833 -2.019 -4.973 1.00 0.00 C ATOM 654 O LEU A 42 -1.672 -2.340 -5.308 1.00 0.00 O ATOM 655 CB LEU A 42 -3.904 -2.286 -7.196 1.00 0.00 C ATOM 656 CG LEU A 42 -5.078 -3.291 -7.227 1.00 0.00 C ATOM 657 CD1 LEU A 42 -4.922 -4.247 -8.391 1.00 0.00 C ATOM 658 CD2 LEU A 42 -5.277 -4.042 -5.911 1.00 0.00 C ATOM 0 H LEU A 42 -2.245 -0.348 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.761 -1.201 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.991 -1.645 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.979 -2.852 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.986 -2.705 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.756 -4.949 -8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.911 -3.685 -9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.986 -4.797 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.118 -4.729 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.374 -4.605 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.481 -3.329 -5.112 1.00 0.00 H new ATOM 670 N VAL A 43 -3.288 -2.173 -3.782 1.00 0.00 N ATOM 671 CA VAL A 43 -2.450 -2.638 -2.734 1.00 0.00 C ATOM 672 C VAL A 43 -2.971 -3.952 -2.225 1.00 0.00 C ATOM 673 O VAL A 43 -4.157 -4.245 -2.332 1.00 0.00 O ATOM 674 CB VAL A 43 -2.338 -1.597 -1.568 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.905 -0.243 -2.097 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.644 -1.476 -0.780 1.00 0.00 C ATOM 0 H VAL A 43 -4.251 -1.981 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.445 -2.774 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.576 -1.963 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.834 0.465 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.933 -0.335 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.637 0.116 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.521 -0.744 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.443 -1.154 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.900 -2.444 -0.348 1.00 0.00 H new ATOM 686 N HIS A 44 -2.089 -4.719 -1.689 1.00 0.00 N ATOM 687 CA HIS A 44 -2.375 -6.042 -1.239 1.00 0.00 C ATOM 688 C HIS A 44 -2.148 -6.109 0.227 1.00 0.00 C ATOM 689 O HIS A 44 -1.012 -5.995 0.684 1.00 0.00 O ATOM 690 CB HIS A 44 -1.427 -7.003 -1.961 1.00 0.00 C ATOM 691 CG HIS A 44 -1.564 -8.453 -1.615 1.00 0.00 C ATOM 692 ND1 HIS A 44 -2.547 -9.253 -2.114 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.784 -9.249 -0.865 1.00 0.00 C ATOM 694 CE1 HIS A 44 -2.372 -10.470 -1.708 1.00 0.00 C ATOM 695 NE2 HIS A 44 -1.301 -10.509 -0.941 1.00 0.00 N ATOM 0 H HIS A 44 -1.119 -4.438 -1.546 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.409 -6.313 -1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.579 -6.891 -3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.403 -6.696 -1.750 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.307 -8.940 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.090 -8.948 -0.306 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.999 -11.313 -1.957 1.00 0.00 H new ATOM 704 N TYR A 45 -3.199 -6.316 0.958 1.00 0.00 N ATOM 705 CA TYR A 45 -3.119 -6.331 2.395 1.00 0.00 C ATOM 706 C TYR A 45 -2.443 -7.589 2.866 1.00 0.00 C ATOM 707 O TYR A 45 -2.842 -8.700 2.503 1.00 0.00 O ATOM 708 CB TYR A 45 -4.490 -6.174 3.024 1.00 0.00 C ATOM 709 CG TYR A 45 -5.168 -4.872 2.690 1.00 0.00 C ATOM 710 CD1 TYR A 45 -4.547 -3.660 2.951 1.00 0.00 C ATOM 711 CD2 TYR A 45 -6.421 -4.852 2.112 1.00 0.00 C ATOM 712 CE1 TYR A 45 -5.159 -2.466 2.646 1.00 0.00 C ATOM 713 CE2 TYR A 45 -7.043 -3.664 1.805 1.00 0.00 C ATOM 714 CZ TYR A 45 -6.406 -2.472 2.077 1.00 0.00 C ATOM 715 OH TYR A 45 -7.024 -1.285 1.784 1.00 0.00 O ATOM 0 H TYR A 45 -4.134 -6.479 0.583 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.518 -5.479 2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.125 -6.997 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.394 -6.255 4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.566 -3.653 3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.922 -5.785 1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.660 -1.531 2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.024 -3.665 1.354 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.348 -0.606 1.580 1.00 0.00 H new ATOM 725 N TYR A 46 -1.420 -7.423 3.655 1.00 0.00 N ATOM 726 CA TYR A 46 -0.629 -8.530 4.104 1.00 0.00 C ATOM 727 C TYR A 46 -1.278 -9.140 5.349 1.00 0.00 C ATOM 728 O TYR A 46 -1.110 -8.629 6.463 1.00 0.00 O ATOM 729 CB TYR A 46 0.799 -8.038 4.397 1.00 0.00 C ATOM 730 CG TYR A 46 1.838 -9.121 4.559 1.00 0.00 C ATOM 731 CD1 TYR A 46 1.913 -9.881 5.710 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.752 -9.376 3.545 1.00 0.00 C ATOM 733 CE1 TYR A 46 2.861 -10.863 5.852 1.00 0.00 C ATOM 734 CE2 TYR A 46 3.709 -10.357 3.682 1.00 0.00 C ATOM 735 CZ TYR A 46 3.755 -11.097 4.839 1.00 0.00 C ATOM 736 OH TYR A 46 4.707 -12.082 4.992 1.00 0.00 O ATOM 0 H TYR A 46 -1.112 -6.516 4.005 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.576 -9.302 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.111 -7.378 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.779 -7.439 5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.213 -9.699 6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.712 -8.796 2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.903 -11.449 6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.417 -10.543 2.888 1.00 0.00 H new ATOM 0 HH TYR A 46 5.264 -12.126 4.187 1.00 0.00 H new ATOM 746 N GLY A 47 -2.059 -10.188 5.142 1.00 0.00 N ATOM 747 CA GLY A 47 -2.751 -10.838 6.238 1.00 0.00 C ATOM 748 C GLY A 47 -4.259 -10.753 6.094 1.00 0.00 C ATOM 749 O GLY A 47 -5.011 -11.343 6.883 1.00 0.00 O ATOM 0 H GLY A 47 -2.228 -10.604 4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.451 -11.885 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.451 -10.377 7.179 1.00 0.00 H new ATOM 753 N TRP A 48 -4.702 -10.050 5.078 1.00 0.00 N ATOM 754 CA TRP A 48 -6.120 -9.846 4.826 1.00 0.00 C ATOM 755 C TRP A 48 -6.458 -10.326 3.418 1.00 0.00 C ATOM 756 O TRP A 48 -5.654 -11.051 2.826 1.00 0.00 O ATOM 757 CB TRP A 48 -6.494 -8.358 5.006 1.00 0.00 C ATOM 758 CG TRP A 48 -6.406 -7.852 6.425 1.00 0.00 C ATOM 759 CD1 TRP A 48 -7.401 -7.880 7.356 1.00 0.00 C ATOM 760 CD2 TRP A 48 -5.274 -7.229 7.069 1.00 0.00 C ATOM 761 NE1 TRP A 48 -6.965 -7.327 8.535 1.00 0.00 N ATOM 762 CE2 TRP A 48 -5.667 -6.919 8.386 1.00 0.00 C ATOM 763 CE3 TRP A 48 -3.972 -6.908 6.665 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -4.809 -6.305 9.297 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -3.123 -6.299 7.572 1.00 0.00 C ATOM 766 CH2 TRP A 48 -3.545 -6.004 8.872 1.00 0.00 C ATOM 0 H TRP A 48 -4.091 -9.599 4.397 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.701 -10.423 5.545 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.838 -7.754 4.378 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.511 -8.207 4.643 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.391 -8.280 7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.520 -7.235 9.386 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.637 -7.132 5.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.131 -6.075 10.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.117 -6.047 7.271 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.857 -5.528 9.555 1.00 0.00 H new ATOM 777 N ASN A 49 -7.645 -9.919 2.915 1.00 0.00 N ATOM 778 CA ASN A 49 -8.181 -10.265 1.569 1.00 0.00 C ATOM 779 C ASN A 49 -7.112 -10.390 0.482 1.00 0.00 C ATOM 780 O ASN A 49 -6.647 -9.416 -0.081 1.00 0.00 O ATOM 781 CB ASN A 49 -9.295 -9.281 1.136 1.00 0.00 C ATOM 782 CG ASN A 49 -8.966 -7.799 1.364 1.00 0.00 C ATOM 783 OD1 ASN A 49 -9.328 -7.225 2.392 1.00 0.00 O ATOM 784 ND2 ASN A 49 -8.237 -7.199 0.467 1.00 0.00 N ATOM 0 H ASN A 49 -8.279 -9.323 3.446 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.611 -11.261 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.505 -9.434 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.208 -9.524 1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.952 -6.230 0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.951 -7.698 -0.375 1.00 0.00 H new ATOM 791 N VAL A 50 -6.760 -11.616 0.199 1.00 0.00 N ATOM 792 CA VAL A 50 -5.654 -11.939 -0.674 1.00 0.00 C ATOM 793 C VAL A 50 -6.063 -12.051 -2.182 1.00 0.00 C ATOM 794 O VAL A 50 -5.202 -12.163 -3.051 1.00 0.00 O ATOM 795 CB VAL A 50 -4.951 -13.242 -0.142 1.00 0.00 C ATOM 796 CG1 VAL A 50 -5.834 -14.460 -0.244 1.00 0.00 C ATOM 797 CG2 VAL A 50 -3.589 -13.495 -0.761 1.00 0.00 C ATOM 0 H VAL A 50 -7.240 -12.435 0.573 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.945 -11.111 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.776 -13.052 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.299 -15.330 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.738 -14.304 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.104 -14.628 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.165 -14.410 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.694 -13.601 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.928 -12.657 -0.541 1.00 0.00 H new ATOM 807 N ARG A 51 -7.362 -12.008 -2.491 1.00 0.00 N ATOM 808 CA ARG A 51 -7.800 -12.131 -3.906 1.00 0.00 C ATOM 809 C ARG A 51 -8.140 -10.819 -4.586 1.00 0.00 C ATOM 810 O ARG A 51 -7.583 -10.505 -5.647 1.00 0.00 O ATOM 811 CB ARG A 51 -8.970 -13.106 -4.100 1.00 0.00 C ATOM 812 CG ARG A 51 -8.580 -14.539 -4.431 1.00 0.00 C ATOM 813 CD ARG A 51 -7.810 -15.209 -3.324 1.00 0.00 C ATOM 814 NE ARG A 51 -8.579 -15.264 -2.076 1.00 0.00 N ATOM 815 CZ ARG A 51 -8.809 -16.373 -1.371 1.00 0.00 C ATOM 816 NH1 ARG A 51 -8.454 -17.563 -1.855 1.00 0.00 N ATOM 817 NH2 ARG A 51 -9.420 -16.295 -0.195 1.00 0.00 N ATOM 0 H ARG A 51 -8.116 -11.893 -1.814 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.911 -12.533 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.570 -13.112 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.607 -12.727 -4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.481 -15.116 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.979 -14.545 -5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.542 -16.220 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.878 -14.670 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.966 -14.390 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.004 -17.629 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.632 -18.408 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.713 -15.388 0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.597 -17.142 0.345 1.00 0.00 H new ATOM 831 N TYR A 52 -9.056 -10.067 -4.024 1.00 0.00 N ATOM 832 CA TYR A 52 -9.502 -8.851 -4.693 1.00 0.00 C ATOM 833 C TYR A 52 -8.637 -7.662 -4.347 1.00 0.00 C ATOM 834 O TYR A 52 -8.398 -6.811 -5.200 1.00 0.00 O ATOM 835 CB TYR A 52 -10.993 -8.555 -4.435 1.00 0.00 C ATOM 836 CG TYR A 52 -11.530 -7.367 -5.230 1.00 0.00 C ATOM 837 CD1 TYR A 52 -11.827 -7.491 -6.586 1.00 0.00 C ATOM 838 CD2 TYR A 52 -11.722 -6.125 -4.631 1.00 0.00 C ATOM 839 CE1 TYR A 52 -12.299 -6.415 -7.316 1.00 0.00 C ATOM 840 CE2 TYR A 52 -12.192 -5.045 -5.355 1.00 0.00 C ATOM 841 CZ TYR A 52 -12.479 -5.193 -6.695 1.00 0.00 C ATOM 842 OH TYR A 52 -12.952 -4.112 -7.417 1.00 0.00 O ATOM 0 H TYR A 52 -9.503 -10.261 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.391 -9.032 -5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.578 -9.441 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.138 -8.364 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.686 -8.443 -7.075 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -11.500 -6.003 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.526 -6.529 -8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.334 -4.089 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.021 -3.331 -6.829 1.00 0.00 H new ATOM 852 N ASP A 53 -8.158 -7.624 -3.113 1.00 0.00 N ATOM 853 CA ASP A 53 -7.323 -6.514 -2.627 1.00 0.00 C ATOM 854 C ASP A 53 -8.073 -5.177 -2.689 1.00 0.00 C ATOM 855 O ASP A 53 -9.316 -5.171 -2.729 1.00 0.00 O ATOM 856 CB ASP A 53 -5.971 -6.475 -3.345 1.00 0.00 C ATOM 857 CG ASP A 53 -5.061 -7.582 -2.893 1.00 0.00 C ATOM 858 OD1 ASP A 53 -4.753 -7.644 -1.700 1.00 0.00 O ATOM 859 OD2 ASP A 53 -4.581 -8.389 -3.740 1.00 0.00 O ATOM 0 H ASP A 53 -8.330 -8.351 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.106 -6.693 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.129 -6.552 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.491 -5.514 -3.162 1.00 0.00 H new ATOM 864 N GLU A 54 -7.372 -4.057 -2.638 1.00 0.00 N ATOM 865 CA GLU A 54 -8.058 -2.774 -2.614 1.00 0.00 C ATOM 866 C GLU A 54 -7.226 -1.672 -3.257 1.00 0.00 C ATOM 867 O GLU A 54 -6.003 -1.771 -3.365 1.00 0.00 O ATOM 868 CB GLU A 54 -8.446 -2.426 -1.158 1.00 0.00 C ATOM 869 CG GLU A 54 -9.185 -1.108 -0.944 1.00 0.00 C ATOM 870 CD GLU A 54 -10.522 -1.044 -1.641 1.00 0.00 C ATOM 871 OE1 GLU A 54 -10.575 -0.675 -2.825 1.00 0.00 O ATOM 872 OE2 GLU A 54 -11.552 -1.327 -0.997 1.00 0.00 O ATOM 0 H GLU A 54 -6.354 -4.007 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.967 -2.853 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.068 -3.232 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.536 -2.408 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.334 -0.954 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.560 -0.289 -1.300 1.00 0.00 H new ATOM 879 N TRP A 55 -7.915 -0.638 -3.672 1.00 0.00 N ATOM 880 CA TRP A 55 -7.346 0.500 -4.311 1.00 0.00 C ATOM 881 C TRP A 55 -7.336 1.682 -3.370 1.00 0.00 C ATOM 882 O TRP A 55 -8.374 2.050 -2.787 1.00 0.00 O ATOM 883 CB TRP A 55 -8.151 0.859 -5.542 1.00 0.00 C ATOM 884 CG TRP A 55 -8.054 -0.146 -6.649 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.709 -1.341 -6.743 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.249 -0.033 -7.826 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.370 -1.966 -7.919 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.472 -1.184 -8.598 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.363 0.938 -8.301 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -6.842 -1.393 -9.821 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -5.738 0.728 -9.512 1.00 0.00 C ATOM 892 CH2 TRP A 55 -5.980 -0.426 -10.258 1.00 0.00 C ATOM 0 H TRP A 55 -8.927 -0.573 -3.565 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.323 0.256 -4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.197 0.972 -5.259 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.815 1.827 -5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.391 -1.735 -6.004 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.729 -2.867 -8.236 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.172 1.835 -7.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.027 -2.284 -10.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.049 1.469 -9.890 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.474 -0.558 -11.203 1.00 0.00 H new ATOM 903 N VAL A 56 -6.190 2.266 -3.217 1.00 0.00 N ATOM 904 CA VAL A 56 -6.017 3.436 -2.398 1.00 0.00 C ATOM 905 C VAL A 56 -5.194 4.446 -3.168 1.00 0.00 C ATOM 906 O VAL A 56 -4.439 4.082 -4.068 1.00 0.00 O ATOM 907 CB VAL A 56 -5.337 3.133 -1.019 1.00 0.00 C ATOM 908 CG1 VAL A 56 -6.185 2.192 -0.176 1.00 0.00 C ATOM 909 CG2 VAL A 56 -3.945 2.561 -1.208 1.00 0.00 C ATOM 0 H VAL A 56 -5.331 1.943 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.008 3.828 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.250 4.080 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.684 2.003 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.157 2.648 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.322 1.250 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.498 2.361 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.007 1.633 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.328 3.278 -1.750 1.00 0.00 H new ATOM 919 N LYS A 57 -5.340 5.682 -2.845 1.00 0.00 N ATOM 920 CA LYS A 57 -4.617 6.716 -3.515 1.00 0.00 C ATOM 921 C LYS A 57 -3.342 6.971 -2.732 1.00 0.00 C ATOM 922 O LYS A 57 -3.273 6.626 -1.543 1.00 0.00 O ATOM 923 CB LYS A 57 -5.484 7.975 -3.582 1.00 0.00 C ATOM 924 CG LYS A 57 -4.959 9.097 -4.469 1.00 0.00 C ATOM 925 CD LYS A 57 -5.906 10.278 -4.405 1.00 0.00 C ATOM 926 CE LYS A 57 -5.455 11.414 -5.284 1.00 0.00 C ATOM 927 NZ LYS A 57 -6.419 12.531 -5.264 1.00 0.00 N ATOM 0 H LYS A 57 -5.964 6.010 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.365 6.427 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.475 7.692 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.605 8.364 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.964 9.398 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.865 8.748 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.903 9.959 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.982 10.626 -3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.480 11.768 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.332 11.057 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.959 12.539 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.072 12.412 -4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.906 13.430 -5.162 1.00 0.00 H new ATOM 941 N ALA A 58 -2.364 7.601 -3.378 1.00 0.00 N ATOM 942 CA ALA A 58 -1.048 7.901 -2.796 1.00 0.00 C ATOM 943 C ALA A 58 -1.168 8.632 -1.454 1.00 0.00 C ATOM 944 O ALA A 58 -0.335 8.466 -0.558 1.00 0.00 O ATOM 945 CB ALA A 58 -0.257 8.749 -3.771 1.00 0.00 C ATOM 0 H ALA A 58 -2.461 7.926 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.536 6.957 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.721 8.976 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.129 8.204 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.793 9.678 -3.963 1.00 0.00 H new ATOM 951 N ASP A 59 -2.236 9.403 -1.329 1.00 0.00 N ATOM 952 CA ASP A 59 -2.540 10.205 -0.138 1.00 0.00 C ATOM 953 C ASP A 59 -2.691 9.333 1.111 1.00 0.00 C ATOM 954 O ASP A 59 -2.166 9.659 2.179 1.00 0.00 O ATOM 955 CB ASP A 59 -3.834 10.986 -0.367 1.00 0.00 C ATOM 956 CG ASP A 59 -4.232 11.843 0.812 1.00 0.00 C ATOM 957 OD1 ASP A 59 -4.958 11.365 1.693 1.00 0.00 O ATOM 958 OD2 ASP A 59 -3.850 13.026 0.851 1.00 0.00 O ATOM 0 H ASP A 59 -2.936 9.496 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.707 10.888 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.716 11.621 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.639 10.285 -0.586 1.00 0.00 H new ATOM 963 N ARG A 60 -3.347 8.197 0.950 1.00 0.00 N ATOM 964 CA ARG A 60 -3.641 7.289 2.067 1.00 0.00 C ATOM 965 C ARG A 60 -2.520 6.308 2.333 1.00 0.00 C ATOM 966 O ARG A 60 -2.664 5.404 3.157 1.00 0.00 O ATOM 967 CB ARG A 60 -4.938 6.503 1.843 1.00 0.00 C ATOM 968 CG ARG A 60 -6.209 7.181 2.325 1.00 0.00 C ATOM 969 CD ARG A 60 -7.389 6.230 2.184 1.00 0.00 C ATOM 970 NE ARG A 60 -8.600 6.713 2.858 1.00 0.00 N ATOM 971 CZ ARG A 60 -9.861 6.523 2.432 1.00 0.00 C ATOM 972 NH1 ARG A 60 -10.094 5.853 1.319 1.00 0.00 N ATOM 973 NH2 ARG A 60 -10.884 6.992 3.141 1.00 0.00 N ATOM 0 H ARG A 60 -3.694 7.870 0.048 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.754 7.936 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.038 6.299 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.849 5.540 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.097 7.484 3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.390 8.087 1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.604 6.081 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.116 5.258 2.594 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.474 7.238 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.316 5.477 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.052 5.712 1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.713 7.497 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.840 6.846 2.815 1.00 0.00 H new ATOM 987 N ILE A 61 -1.417 6.476 1.673 1.00 0.00 N ATOM 988 CA ILE A 61 -0.333 5.562 1.833 1.00 0.00 C ATOM 989 C ILE A 61 0.798 6.239 2.597 1.00 0.00 C ATOM 990 O ILE A 61 0.998 7.455 2.487 1.00 0.00 O ATOM 991 CB ILE A 61 0.192 5.066 0.446 1.00 0.00 C ATOM 992 CG1 ILE A 61 -0.958 4.488 -0.391 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.280 4.015 0.621 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.528 3.939 -1.737 1.00 0.00 C ATOM 0 H ILE A 61 -1.245 7.239 1.018 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.691 4.698 2.393 1.00 0.00 H new ATOM 0 HB ILE A 61 0.616 5.924 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.442 3.693 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.705 5.266 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.629 3.686 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.113 4.443 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.878 3.163 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.398 3.550 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.072 4.735 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.195 3.137 -1.589 1.00 0.00 H new ATOM 1006 N ILE A 62 1.482 5.481 3.397 1.00 0.00 N ATOM 1007 CA ILE A 62 2.671 5.927 4.040 1.00 0.00 C ATOM 1008 C ILE A 62 3.788 5.197 3.341 1.00 0.00 C ATOM 1009 O ILE A 62 3.876 3.956 3.412 1.00 0.00 O ATOM 1010 CB ILE A 62 2.754 5.593 5.569 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.574 6.173 6.397 1.00 0.00 C ATOM 1012 CG2 ILE A 62 4.091 6.058 6.138 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.293 5.333 6.408 1.00 0.00 C ATOM 0 H ILE A 62 1.223 4.521 3.623 1.00 0.00 H new ATOM 0 HA ILE A 62 2.715 7.014 3.976 1.00 0.00 H new ATOM 0 HB ILE A 62 2.676 4.509 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.908 6.307 7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.334 7.163 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.137 5.820 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.904 5.551 5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.189 7.135 6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.463 5.831 7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.076 5.220 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.506 4.350 6.828 1.00 0.00 H new ATOM 1025 N TRP A 63 4.581 5.928 2.624 1.00 0.00 N ATOM 1026 CA TRP A 63 5.634 5.347 1.858 1.00 0.00 C ATOM 1027 C TRP A 63 6.880 5.168 2.678 1.00 0.00 C ATOM 1028 O TRP A 63 7.150 5.973 3.590 1.00 0.00 O ATOM 1029 CB TRP A 63 5.918 6.173 0.603 1.00 0.00 C ATOM 1030 CG TRP A 63 4.821 6.079 -0.393 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.771 6.932 -0.558 1.00 0.00 C ATOM 1032 CD2 TRP A 63 4.655 5.042 -1.349 1.00 0.00 C ATOM 1033 NE1 TRP A 63 2.962 6.478 -1.565 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.489 5.316 -2.065 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.392 3.900 -1.670 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.038 4.492 -3.075 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 4.942 3.082 -2.676 1.00 0.00 C ATOM 1038 CH2 TRP A 63 3.778 3.378 -3.367 1.00 0.00 C ATOM 0 H TRP A 63 4.516 6.944 2.554 1.00 0.00 H new ATOM 0 HA TRP A 63 5.303 4.357 1.545 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.064 7.216 0.883 1.00 0.00 H new ATOM 0 HB3 TRP A 63 6.848 5.832 0.149 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.603 7.830 0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.107 6.930 -1.890 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.301 3.665 -1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.132 4.718 -3.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.503 2.195 -2.933 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.447 2.715 -4.153 1.00 0.00 H new ATOM 1049 N PRO A 64 7.637 4.076 2.436 1.00 0.00 N ATOM 1050 CA PRO A 64 8.907 3.904 3.067 1.00 0.00 C ATOM 1051 C PRO A 64 9.835 4.990 2.573 1.00 0.00 C ATOM 1052 O PRO A 64 10.129 5.101 1.371 1.00 0.00 O ATOM 1053 CB PRO A 64 9.391 2.522 2.604 1.00 0.00 C ATOM 1054 CG PRO A 64 8.174 1.848 2.087 1.00 0.00 C ATOM 1055 CD PRO A 64 7.287 2.939 1.575 1.00 0.00 C ATOM 0 HA PRO A 64 8.866 3.966 4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.154 2.609 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.834 1.962 3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.425 1.144 1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.679 1.279 2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.477 3.155 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.233 2.676 1.661 1.00 0.00 H new ATOM 1063 N LEU A 65 10.255 5.770 3.488 1.00 0.00 N ATOM 1064 CA LEU A 65 11.076 6.904 3.284 1.00 0.00 C ATOM 1065 C LEU A 65 11.449 7.231 4.680 1.00 0.00 C ATOM 1066 O LEU A 65 10.691 6.883 5.598 1.00 0.00 O ATOM 1067 CB LEU A 65 10.230 8.043 2.630 1.00 0.00 C ATOM 1068 CG LEU A 65 10.957 9.162 1.827 1.00 0.00 C ATOM 1069 CD1 LEU A 65 11.875 10.019 2.682 1.00 0.00 C ATOM 1070 CD2 LEU A 65 11.713 8.572 0.649 1.00 0.00 C ATOM 0 H LEU A 65 10.020 5.627 4.470 1.00 0.00 H new ATOM 0 HA LEU A 65 11.933 6.758 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.509 7.574 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.660 8.526 3.424 1.00 0.00 H new ATOM 0 HG LEU A 65 10.178 9.828 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.349 10.778 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.294 10.504 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.642 9.391 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.214 9.370 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.455 7.861 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.014 8.061 -0.013 1.00 0.00 H new ATOM 1082 N ASP A 66 12.581 7.775 4.882 1.00 0.00 N ATOM 1083 CA ASP A 66 13.013 8.048 6.210 1.00 0.00 C ATOM 1084 C ASP A 66 12.240 9.148 6.901 1.00 0.00 C ATOM 1085 O ASP A 66 12.342 10.316 6.555 1.00 0.00 O ATOM 1086 CB ASP A 66 14.474 8.344 6.281 1.00 0.00 C ATOM 1087 CG ASP A 66 14.877 8.597 7.718 1.00 0.00 C ATOM 1088 OD1 ASP A 66 14.851 7.641 8.509 1.00 0.00 O ATOM 1089 OD2 ASP A 66 15.172 9.752 8.083 1.00 0.00 O ATOM 0 H ASP A 66 13.236 8.045 4.148 1.00 0.00 H new ATOM 0 HA ASP A 66 12.807 7.124 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.044 7.508 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.708 9.215 5.669 1.00 0.00 H new ATOM 1094 N LYS A 67 11.476 8.744 7.872 1.00 0.00 N ATOM 1095 CA LYS A 67 10.805 9.646 8.776 1.00 0.00 C ATOM 1096 C LYS A 67 11.295 9.272 10.173 1.00 0.00 C ATOM 1097 O LYS A 67 10.650 9.530 11.190 1.00 0.00 O ATOM 1098 CB LYS A 67 9.239 9.560 8.680 1.00 0.00 C ATOM 1099 CG LYS A 67 8.609 8.212 9.050 1.00 0.00 C ATOM 1100 CD LYS A 67 8.767 7.144 7.972 1.00 0.00 C ATOM 1101 CE LYS A 67 7.649 7.163 6.900 1.00 0.00 C ATOM 1102 NZ LYS A 67 7.592 8.404 6.095 1.00 0.00 N ATOM 0 H LYS A 67 11.295 7.759 8.066 1.00 0.00 H new ATOM 0 HA LYS A 67 11.040 10.680 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.814 10.326 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.945 9.807 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.060 7.852 9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.548 8.360 9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.730 7.278 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.785 6.163 8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.792 6.316 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.688 7.020 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.990 8.249 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.194 9.173 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.551 8.662 5.787 1.00 0.00 H new ATOM 1116 N GLY A 68 12.493 8.719 10.197 1.00 0.00 N ATOM 1117 CA GLY A 68 13.041 8.130 11.385 1.00 0.00 C ATOM 1118 C GLY A 68 12.855 6.647 11.274 1.00 0.00 C ATOM 1119 O GLY A 68 12.349 5.983 12.188 1.00 0.00 O ATOM 0 H GLY A 68 13.109 8.670 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.098 8.378 11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.538 8.515 12.272 1.00 0.00 H new ATOM 1123 N LEU A 69 13.222 6.127 10.125 1.00 0.00 N ATOM 1124 CA LEU A 69 12.980 4.780 9.789 1.00 0.00 C ATOM 1125 C LEU A 69 14.222 3.945 10.002 1.00 0.00 C ATOM 1126 O LEU A 69 15.339 4.396 9.766 1.00 0.00 O ATOM 1127 CB LEU A 69 12.527 4.720 8.336 1.00 0.00 C ATOM 1128 CG LEU A 69 12.015 3.388 7.833 1.00 0.00 C ATOM 1129 CD1 LEU A 69 10.814 2.954 8.649 1.00 0.00 C ATOM 1130 CD2 LEU A 69 11.649 3.509 6.372 1.00 0.00 C ATOM 0 H LEU A 69 13.705 6.655 9.398 1.00 0.00 H new ATOM 0 HA LEU A 69 12.201 4.372 10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.740 5.461 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.365 5.021 7.707 1.00 0.00 H new ATOM 0 HG LEU A 69 12.794 2.634 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.451 1.994 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.102 2.856 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.024 3.699 8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.280 2.550 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.873 4.265 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.530 3.800 5.799 1.00 0.00 H new ATOM 1142 N GLU A 70 14.007 2.755 10.460 1.00 0.00 N ATOM 1143 CA GLU A 70 15.046 1.793 10.729 1.00 0.00 C ATOM 1144 C GLU A 70 15.563 1.266 9.365 1.00 0.00 C ATOM 1145 O GLU A 70 14.755 0.942 8.490 1.00 0.00 O ATOM 1146 CB GLU A 70 14.391 0.657 11.548 1.00 0.00 C ATOM 1147 CG GLU A 70 15.308 -0.147 12.459 1.00 0.00 C ATOM 1148 CD GLU A 70 16.409 -0.832 11.744 1.00 0.00 C ATOM 1149 OE1 GLU A 70 16.171 -1.851 11.085 1.00 0.00 O ATOM 1150 OE2 GLU A 70 17.535 -0.368 11.822 1.00 0.00 O ATOM 0 H GLU A 70 13.071 2.405 10.667 1.00 0.00 H new ATOM 0 HA GLU A 70 15.885 2.214 11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.600 1.091 12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.914 -0.033 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.734 0.519 13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.715 -0.891 12.992 1.00 0.00 H new ATOM 1157 N HIS A 71 16.878 1.227 9.172 1.00 0.00 N ATOM 1158 CA HIS A 71 17.470 0.708 7.914 1.00 0.00 C ATOM 1159 C HIS A 71 18.754 -0.079 8.174 1.00 0.00 C ATOM 1160 O HIS A 71 19.693 -0.055 7.358 1.00 0.00 O ATOM 1161 CB HIS A 71 17.790 1.853 6.923 1.00 0.00 C ATOM 1162 CG HIS A 71 16.605 2.433 6.216 1.00 0.00 C ATOM 1163 ND1 HIS A 71 16.292 3.768 6.241 1.00 0.00 N ATOM 1164 CD2 HIS A 71 15.682 1.855 5.414 1.00 0.00 C ATOM 1165 CE1 HIS A 71 15.237 3.987 5.494 1.00 0.00 C ATOM 1166 NE2 HIS A 71 14.843 2.847 4.977 1.00 0.00 N ATOM 0 H HIS A 71 17.562 1.544 9.859 1.00 0.00 H new ATOM 0 HA HIS A 71 16.722 0.045 7.478 1.00 0.00 H new ATOM 0 HB2 HIS A 71 18.296 2.651 7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 71 18.492 1.481 6.177 1.00 0.00 H new ATOM 0 HD2 HIS A 71 15.618 0.806 5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 71 14.770 4.947 5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 71 14.045 2.720 4.354 1.00 0.00 H new ATOM 1175 N HIS A 72 18.794 -0.835 9.254 1.00 0.00 N ATOM 1176 CA HIS A 72 19.991 -1.612 9.537 1.00 0.00 C ATOM 1177 C HIS A 72 19.912 -3.017 8.974 1.00 0.00 C ATOM 1178 O HIS A 72 20.780 -3.411 8.203 1.00 0.00 O ATOM 1179 CB HIS A 72 20.322 -1.682 11.029 1.00 0.00 C ATOM 1180 CG HIS A 72 20.792 -0.398 11.652 1.00 0.00 C ATOM 1181 ND1 HIS A 72 19.944 0.514 12.214 1.00 0.00 N ATOM 1182 CD2 HIS A 72 22.033 0.092 11.834 1.00 0.00 C ATOM 1183 CE1 HIS A 72 20.633 1.507 12.722 1.00 0.00 C ATOM 1184 NE2 HIS A 72 21.904 1.276 12.504 1.00 0.00 N ATOM 0 H HIS A 72 18.039 -0.929 9.933 1.00 0.00 H new ATOM 0 HA HIS A 72 20.797 -1.075 9.036 1.00 0.00 H new ATOM 0 HB2 HIS A 72 19.435 -2.021 11.564 1.00 0.00 H new ATOM 0 HB3 HIS A 72 21.092 -2.439 11.177 1.00 0.00 H new ATOM 0 HD1 HIS A 72 18.927 0.434 12.235 1.00 0.00 H new ATOM 0 HD2 HIS A 72 22.957 -0.365 11.511 1.00 0.00 H new ATOM 0 HE1 HIS A 72 20.224 2.367 13.232 1.00 0.00 H new ATOM 1193 N HIS A 73 18.870 -3.779 9.311 1.00 0.00 N ATOM 1194 CA HIS A 73 18.838 -5.170 8.832 1.00 0.00 C ATOM 1195 C HIS A 73 17.406 -5.722 8.697 1.00 0.00 C ATOM 1196 O HIS A 73 17.188 -6.928 8.653 1.00 0.00 O ATOM 1197 CB HIS A 73 19.711 -6.066 9.741 1.00 0.00 C ATOM 1198 CG HIS A 73 20.054 -7.404 9.144 1.00 0.00 C ATOM 1199 ND1 HIS A 73 19.810 -8.596 9.770 1.00 0.00 N ATOM 1200 CD2 HIS A 73 20.636 -7.716 7.968 1.00 0.00 C ATOM 1201 CE1 HIS A 73 20.221 -9.583 9.009 1.00 0.00 C ATOM 1202 NE2 HIS A 73 20.725 -9.076 7.910 1.00 0.00 N ATOM 0 H HIS A 73 18.077 -3.484 9.881 1.00 0.00 H new ATOM 0 HA HIS A 73 19.256 -5.179 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 73 20.635 -5.537 9.973 1.00 0.00 H new ATOM 0 HB3 HIS A 73 19.189 -6.225 10.684 1.00 0.00 H new ATOM 0 HD2 HIS A 73 20.969 -7.019 7.213 1.00 0.00 H new ATOM 0 HE1 HIS A 73 20.155 -10.634 9.248 1.00 0.00 H new ATOM 0 HE2 HIS A 73 21.120 -9.612 7.137 1.00 0.00 H new ATOM 1211 N HIS A 74 16.446 -4.850 8.618 1.00 0.00 N ATOM 1212 CA HIS A 74 15.077 -5.278 8.334 1.00 0.00 C ATOM 1213 C HIS A 74 14.840 -5.067 6.846 1.00 0.00 C ATOM 1214 O HIS A 74 14.333 -5.949 6.135 1.00 0.00 O ATOM 1215 CB HIS A 74 14.024 -4.517 9.176 1.00 0.00 C ATOM 1216 CG HIS A 74 14.073 -4.781 10.660 1.00 0.00 C ATOM 1217 ND1 HIS A 74 14.719 -3.959 11.563 1.00 0.00 N ATOM 1218 CD2 HIS A 74 13.519 -5.766 11.402 1.00 0.00 C ATOM 1219 CE1 HIS A 74 14.557 -4.425 12.780 1.00 0.00 C ATOM 1220 NE2 HIS A 74 13.836 -5.516 12.713 1.00 0.00 N ATOM 0 H HIS A 74 16.566 -3.845 8.742 1.00 0.00 H new ATOM 0 HA HIS A 74 14.963 -6.327 8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.153 -3.448 9.009 1.00 0.00 H new ATOM 0 HB3 HIS A 74 13.031 -4.779 8.810 1.00 0.00 H new ATOM 0 HD1 HIS A 74 15.242 -3.118 11.321 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.935 -6.596 11.031 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.952 -3.983 13.683 1.00 0.00 H new ATOM 1229 N HIS A 75 15.246 -3.905 6.390 1.00 0.00 N ATOM 1230 CA HIS A 75 15.233 -3.507 5.002 1.00 0.00 C ATOM 1231 C HIS A 75 16.172 -2.318 4.906 1.00 0.00 C ATOM 1232 O HIS A 75 15.808 -1.211 5.272 1.00 0.00 O ATOM 1233 CB HIS A 75 13.819 -3.105 4.531 1.00 0.00 C ATOM 1234 CG HIS A 75 13.702 -2.908 3.039 1.00 0.00 C ATOM 1235 ND1 HIS A 75 13.971 -1.716 2.397 1.00 0.00 N ATOM 1236 CD2 HIS A 75 13.332 -3.774 2.065 1.00 0.00 C ATOM 1237 CE1 HIS A 75 13.769 -1.864 1.103 1.00 0.00 C ATOM 1238 NE2 HIS A 75 13.383 -3.099 0.879 1.00 0.00 N ATOM 0 H HIS A 75 15.611 -3.178 7.005 1.00 0.00 H new ATOM 0 HA HIS A 75 15.544 -4.334 4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 75 13.111 -3.873 4.842 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.529 -2.182 5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.049 -4.807 2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.899 -1.098 0.353 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.157 -3.491 -0.035 1.00 0.00 H new ATOM 1247 N HIS A 76 17.377 -2.578 4.496 1.00 0.00 N ATOM 1248 CA HIS A 76 18.425 -1.578 4.439 1.00 0.00 C ATOM 1249 C HIS A 76 18.227 -0.624 3.268 1.00 0.00 C ATOM 1250 O HIS A 76 18.527 -1.004 2.123 1.00 0.00 O ATOM 1251 CB HIS A 76 19.798 -2.268 4.382 1.00 0.00 C ATOM 1252 CG HIS A 76 20.972 -1.345 4.253 1.00 0.00 C ATOM 1253 ND1 HIS A 76 21.458 -0.595 5.292 1.00 0.00 N ATOM 1254 CD2 HIS A 76 21.774 -1.084 3.198 1.00 0.00 C ATOM 1255 CE1 HIS A 76 22.511 0.078 4.885 1.00 0.00 C ATOM 1256 NE2 HIS A 76 22.721 -0.199 3.622 1.00 0.00 N ATOM 1257 OXT HIS A 76 17.827 0.524 3.497 1.00 0.00 O ATOM 0 H HIS A 76 17.674 -3.503 4.185 1.00 0.00 H new ATOM 0 HA HIS A 76 18.378 -0.973 5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 76 19.924 -2.866 5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 76 19.805 -2.959 3.539 1.00 0.00 H new ATOM 0 HD1 HIS A 76 21.065 -0.564 6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 76 21.682 -1.498 2.205 1.00 0.00 H new ATOM 0 HE1 HIS A 76 23.104 0.747 5.491 1.00 0.00 H new TER 1266 HIS A 76