USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 21 THR OG1 : rot 60:sc= 0.667 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -163:sc= 0.0712 (180deg=-0.312) USER MOD Set 2.1: A 31 CYS SG : rot -111:sc= 3.14 USER MOD Set 2.2: A 40 HIS : no HE2:sc= 1.13 K(o=8.2,f=-7.1!) USER MOD Set 2.3: A 56 CYS SG : rot 116:sc= 2.48 USER MOD Set 2.4: A 63 TYR OH : rot 22:sc= 1.39 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.41 (180deg=0.8) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.162 K(o=-0.16,f=-4.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 108:sc= 1.24 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc=-0.00721 X(o=-0.0072,f=-0.00064) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 65 HIS : no HD1:sc= 0.63 K(o=0.63,f=-4.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.63 K(o=-1.6,f=0.14) USER MOD Single : A 77 HIS : no HD1:sc=-0.000319 X(o=-0.00032,f=-0.013) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -38.371 31.666 -36.324 1.00 0.00 N ATOM 2 CA MET A 1 -37.163 30.811 -36.356 1.00 0.00 C ATOM 3 C MET A 1 -37.510 29.374 -36.008 1.00 0.00 C ATOM 4 O MET A 1 -38.470 29.110 -35.284 1.00 0.00 O ATOM 5 CB MET A 1 -36.103 31.321 -35.373 1.00 0.00 C ATOM 6 CG MET A 1 -35.428 32.618 -35.795 1.00 0.00 C ATOM 7 SD MET A 1 -36.546 34.031 -35.774 1.00 0.00 S ATOM 8 CE MET A 1 -35.466 35.309 -36.421 1.00 0.00 C ATOM 0 H1 MET A 1 -38.088 32.666 -36.277 1.00 0.00 H new ATOM 0 H2 MET A 1 -38.933 31.506 -37.184 1.00 0.00 H new ATOM 0 H3 MET A 1 -38.942 31.428 -35.488 1.00 0.00 H new ATOM 0 HA MET A 1 -36.762 30.852 -37.369 1.00 0.00 H new ATOM 0 HB2 MET A 1 -36.569 31.468 -34.399 1.00 0.00 H new ATOM 0 HB3 MET A 1 -35.340 30.552 -35.249 1.00 0.00 H new ATOM 0 HG2 MET A 1 -34.587 32.817 -35.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 -35.020 32.499 -36.799 1.00 0.00 H new ATOM 0 HE1 MET A 1 -36.009 36.253 -36.472 1.00 0.00 H new ATOM 0 HE2 MET A 1 -34.603 35.422 -35.765 1.00 0.00 H new ATOM 0 HE3 MET A 1 -35.129 35.030 -37.419 1.00 0.00 H new ATOM 20 N ARG A 2 -36.712 28.453 -36.529 1.00 0.00 N ATOM 21 CA ARG A 2 -36.872 27.032 -36.259 1.00 0.00 C ATOM 22 C ARG A 2 -35.604 26.285 -36.653 1.00 0.00 C ATOM 23 O ARG A 2 -35.320 26.107 -37.836 1.00 0.00 O ATOM 24 CB ARG A 2 -38.075 26.465 -37.018 1.00 0.00 C ATOM 25 CG ARG A 2 -38.228 24.954 -36.884 1.00 0.00 C ATOM 26 CD ARG A 2 -39.441 24.450 -37.647 1.00 0.00 C ATOM 27 NE ARG A 2 -39.440 22.997 -37.808 1.00 0.00 N ATOM 28 CZ ARG A 2 -40.032 22.373 -38.825 1.00 0.00 C ATOM 29 NH1 ARG A 2 -40.716 23.070 -39.723 1.00 0.00 N ATOM 30 NH2 ARG A 2 -39.951 21.055 -38.931 1.00 0.00 N ATOM 0 H ARG A 2 -35.934 28.671 -37.152 1.00 0.00 H new ATOM 0 HA ARG A 2 -37.050 26.900 -35.192 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -38.983 26.947 -36.654 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -37.980 26.719 -38.074 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -37.331 24.461 -37.258 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -38.322 24.688 -35.831 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -40.347 24.753 -37.123 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -39.469 24.921 -38.630 1.00 0.00 H new ATOM 0 HE ARG A 2 -38.962 22.432 -37.106 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -40.788 24.084 -39.635 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -41.169 22.592 -40.502 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -39.435 20.518 -38.234 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -40.404 20.577 -39.710 1.00 0.00 H new ATOM 44 N ARG A 3 -34.836 25.869 -35.660 1.00 0.00 N ATOM 45 CA ARG A 3 -33.607 25.133 -35.903 1.00 0.00 C ATOM 46 C ARG A 3 -33.851 23.644 -35.729 1.00 0.00 C ATOM 47 O ARG A 3 -34.374 23.210 -34.702 1.00 0.00 O ATOM 48 CB ARG A 3 -32.505 25.608 -34.953 1.00 0.00 C ATOM 49 CG ARG A 3 -32.175 27.078 -35.107 1.00 0.00 C ATOM 50 CD ARG A 3 -31.157 27.533 -34.076 1.00 0.00 C ATOM 51 NE ARG A 3 -30.884 28.965 -34.182 1.00 0.00 N ATOM 52 CZ ARG A 3 -30.851 29.798 -33.142 1.00 0.00 C ATOM 53 NH1 ARG A 3 -31.084 29.344 -31.915 1.00 0.00 N ATOM 54 NH2 ARG A 3 -30.605 31.089 -33.331 1.00 0.00 N ATOM 0 H ARG A 3 -35.043 26.029 -34.674 1.00 0.00 H new ATOM 0 HA ARG A 3 -33.282 25.318 -36.927 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -32.814 25.418 -33.925 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -31.604 25.020 -35.129 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -31.786 27.261 -36.109 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -33.086 27.669 -35.006 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -31.526 27.306 -33.076 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -30.230 26.975 -34.209 1.00 0.00 H new ATOM 0 HE ARG A 3 -30.708 29.351 -35.110 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -31.289 28.356 -31.767 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -31.058 29.984 -31.121 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -30.441 31.444 -34.273 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -30.580 31.725 -32.534 1.00 0.00 H new ATOM 68 N GLN A 4 -33.492 22.870 -36.739 1.00 0.00 N ATOM 69 CA GLN A 4 -33.703 21.432 -36.704 1.00 0.00 C ATOM 70 C GLN A 4 -32.394 20.702 -36.432 1.00 0.00 C ATOM 71 O GLN A 4 -31.497 20.691 -37.278 1.00 0.00 O ATOM 72 CB GLN A 4 -34.300 20.954 -38.030 1.00 0.00 C ATOM 73 CG GLN A 4 -34.619 19.466 -38.060 1.00 0.00 C ATOM 74 CD GLN A 4 -35.068 18.987 -39.429 1.00 0.00 C ATOM 75 OE1 GLN A 4 -34.649 19.518 -40.463 1.00 0.00 O ATOM 76 NE2 GLN A 4 -35.927 17.981 -39.442 1.00 0.00 N ATOM 0 H GLN A 4 -33.053 23.213 -37.594 1.00 0.00 H new ATOM 0 HA GLN A 4 -34.400 21.208 -35.897 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -35.212 21.516 -38.230 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -33.602 21.183 -38.835 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -33.736 18.904 -37.755 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -35.401 19.252 -37.331 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -36.247 17.572 -38.564 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -36.269 17.614 -40.330 1.00 0.00 H new ATOM 85 N PRO A 5 -32.255 20.107 -35.238 1.00 0.00 N ATOM 86 CA PRO A 5 -31.101 19.274 -34.903 1.00 0.00 C ATOM 87 C PRO A 5 -31.141 17.958 -35.673 1.00 0.00 C ATOM 88 O PRO A 5 -31.872 17.034 -35.311 1.00 0.00 O ATOM 89 CB PRO A 5 -31.239 19.029 -33.391 1.00 0.00 C ATOM 90 CG PRO A 5 -32.303 19.970 -32.927 1.00 0.00 C ATOM 91 CD PRO A 5 -33.193 20.207 -34.113 1.00 0.00 C ATOM 0 HA PRO A 5 -30.154 19.747 -35.164 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -31.514 17.994 -33.185 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -30.297 19.217 -32.876 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -32.865 19.544 -32.096 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -31.869 20.905 -32.572 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -33.987 19.464 -34.179 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -33.674 21.184 -34.071 1.00 0.00 H new ATOM 99 N LYS A 6 -30.382 17.892 -36.754 1.00 0.00 N ATOM 100 CA LYS A 6 -30.427 16.745 -37.645 1.00 0.00 C ATOM 101 C LYS A 6 -29.460 15.662 -37.198 1.00 0.00 C ATOM 102 O LYS A 6 -28.242 15.817 -37.304 1.00 0.00 O ATOM 103 CB LYS A 6 -30.103 17.165 -39.076 1.00 0.00 C ATOM 104 CG LYS A 6 -31.071 18.188 -39.640 1.00 0.00 C ATOM 105 CD LYS A 6 -30.729 18.544 -41.076 1.00 0.00 C ATOM 106 CE LYS A 6 -29.342 19.163 -41.188 1.00 0.00 C ATOM 107 NZ LYS A 6 -28.963 19.409 -42.600 1.00 0.00 N ATOM 0 H LYS A 6 -29.726 18.621 -37.036 1.00 0.00 H new ATOM 0 HA LYS A 6 -31.439 16.341 -37.610 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -29.094 17.576 -39.106 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -30.107 16.282 -39.715 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -32.086 17.794 -39.593 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -31.050 19.088 -39.026 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -30.779 17.648 -41.695 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -31.471 19.241 -41.465 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -29.317 20.102 -40.636 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -28.610 18.502 -40.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -28.013 19.831 -42.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -28.962 18.509 -43.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -29.648 20.060 -43.035 1.00 0.00 H new ATOM 121 N THR A 7 -30.005 14.574 -36.688 1.00 0.00 N ATOM 122 CA THR A 7 -29.200 13.428 -36.309 1.00 0.00 C ATOM 123 C THR A 7 -29.006 12.510 -37.511 1.00 0.00 C ATOM 124 O THR A 7 -29.848 11.663 -37.805 1.00 0.00 O ATOM 125 CB THR A 7 -29.861 12.651 -35.155 1.00 0.00 C ATOM 126 OG1 THR A 7 -30.277 13.573 -34.135 1.00 0.00 O ATOM 127 CG2 THR A 7 -28.899 11.632 -34.555 1.00 0.00 C ATOM 0 H THR A 7 -31.006 14.459 -36.526 1.00 0.00 H new ATOM 0 HA THR A 7 -28.229 13.787 -35.969 1.00 0.00 H new ATOM 0 HB THR A 7 -30.724 12.116 -35.552 1.00 0.00 H new ATOM 0 HG1 THR A 7 -30.699 13.080 -33.401 1.00 0.00 H new ATOM 0 HG21 THR A 7 -29.393 11.099 -33.743 1.00 0.00 H new ATOM 0 HG22 THR A 7 -28.596 10.921 -35.324 1.00 0.00 H new ATOM 0 HG23 THR A 7 -28.019 12.146 -34.169 1.00 0.00 H new ATOM 135 N ARG A 8 -27.914 12.716 -38.227 1.00 0.00 N ATOM 136 CA ARG A 8 -27.620 11.927 -39.412 1.00 0.00 C ATOM 137 C ARG A 8 -26.782 10.711 -39.034 1.00 0.00 C ATOM 138 O ARG A 8 -26.765 9.704 -39.742 1.00 0.00 O ATOM 139 CB ARG A 8 -26.880 12.790 -40.438 1.00 0.00 C ATOM 140 CG ARG A 8 -26.668 12.115 -41.784 1.00 0.00 C ATOM 141 CD ARG A 8 -25.896 13.014 -42.738 1.00 0.00 C ATOM 142 NE ARG A 8 -24.554 13.313 -42.245 1.00 0.00 N ATOM 143 CZ ARG A 8 -24.019 14.534 -42.233 1.00 0.00 C ATOM 144 NH1 ARG A 8 -24.723 15.580 -42.653 1.00 0.00 N ATOM 145 NH2 ARG A 8 -22.782 14.710 -41.784 1.00 0.00 N ATOM 0 H ARG A 8 -27.214 13.425 -38.008 1.00 0.00 H new ATOM 0 HA ARG A 8 -28.554 11.580 -39.854 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.440 13.713 -40.591 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.910 13.070 -40.028 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -26.126 11.180 -41.643 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -27.633 11.861 -42.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.825 12.531 -43.713 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.445 13.945 -42.883 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.992 12.540 -41.888 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.678 15.451 -42.987 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.308 16.512 -42.641 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -22.243 13.912 -41.449 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.371 15.643 -41.774 1.00 0.00 H new ATOM 159 N GLN A 9 -26.106 10.811 -37.901 1.00 0.00 N ATOM 160 CA GLN A 9 -25.241 9.749 -37.427 1.00 0.00 C ATOM 161 C GLN A 9 -25.776 9.159 -36.123 1.00 0.00 C ATOM 162 O GLN A 9 -25.548 9.693 -35.034 1.00 0.00 O ATOM 163 CB GLN A 9 -23.790 10.250 -37.257 1.00 0.00 C ATOM 164 CG GLN A 9 -23.611 11.438 -36.306 1.00 0.00 C ATOM 165 CD GLN A 9 -24.181 12.739 -36.843 1.00 0.00 C ATOM 166 OE1 GLN A 9 -25.350 13.064 -36.614 1.00 0.00 O ATOM 167 NE2 GLN A 9 -23.363 13.496 -37.550 1.00 0.00 N ATOM 0 H GLN A 9 -26.142 11.626 -37.289 1.00 0.00 H new ATOM 0 HA GLN A 9 -25.232 8.958 -38.177 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -23.178 9.423 -36.897 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -23.403 10.530 -38.237 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -24.090 11.206 -35.355 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -22.549 11.573 -36.103 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.404 13.192 -37.717 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.690 14.385 -37.929 1.00 0.00 H new ATOM 176 N GLU A 10 -26.514 8.066 -36.235 1.00 0.00 N ATOM 177 CA GLU A 10 -27.048 7.400 -35.062 1.00 0.00 C ATOM 178 C GLU A 10 -26.032 6.400 -34.537 1.00 0.00 C ATOM 179 O GLU A 10 -25.690 5.427 -35.210 1.00 0.00 O ATOM 180 CB GLU A 10 -28.376 6.704 -35.374 1.00 0.00 C ATOM 181 CG GLU A 10 -29.076 6.167 -34.134 1.00 0.00 C ATOM 182 CD GLU A 10 -30.417 5.530 -34.441 1.00 0.00 C ATOM 183 OE1 GLU A 10 -31.407 6.272 -34.616 1.00 0.00 O ATOM 184 OE2 GLU A 10 -30.491 4.282 -34.497 1.00 0.00 O ATOM 0 H GLU A 10 -26.755 7.624 -37.122 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.243 8.151 -34.296 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -29.037 7.407 -35.881 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -28.194 5.882 -36.066 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.433 5.432 -33.650 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -29.221 6.981 -33.424 1.00 0.00 H new ATOM 191 N SER A 11 -25.536 6.667 -33.342 1.00 0.00 N ATOM 192 CA SER A 11 -24.518 5.841 -32.722 1.00 0.00 C ATOM 193 C SER A 11 -24.522 6.092 -31.222 1.00 0.00 C ATOM 194 O SER A 11 -24.749 7.221 -30.787 1.00 0.00 O ATOM 195 CB SER A 11 -23.146 6.168 -33.321 1.00 0.00 C ATOM 196 OG SER A 11 -22.108 5.449 -32.683 1.00 0.00 O ATOM 0 H SER A 11 -25.828 7.463 -32.775 1.00 0.00 H new ATOM 0 HA SER A 11 -24.730 4.788 -32.908 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.149 5.934 -34.385 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.956 7.237 -33.231 1.00 0.00 H new ATOM 0 HG SER A 11 -21.249 5.682 -33.093 1.00 0.00 H new ATOM 202 N ALA A 12 -24.289 5.048 -30.440 1.00 0.00 N ATOM 203 CA ALA A 12 -24.285 5.171 -28.989 1.00 0.00 C ATOM 204 C ALA A 12 -22.926 5.653 -28.503 1.00 0.00 C ATOM 205 O ALA A 12 -21.901 5.040 -28.799 1.00 0.00 O ATOM 206 CB ALA A 12 -24.641 3.839 -28.344 1.00 0.00 C ATOM 0 H ALA A 12 -24.100 4.107 -30.785 1.00 0.00 H new ATOM 0 HA ALA A 12 -25.036 5.906 -28.699 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -24.634 3.947 -27.259 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -25.634 3.530 -28.672 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -23.911 3.085 -28.639 1.00 0.00 H new ATOM 212 N ARG A 13 -22.920 6.751 -27.759 1.00 0.00 N ATOM 213 CA ARG A 13 -21.679 7.333 -27.273 1.00 0.00 C ATOM 214 C ARG A 13 -21.497 7.018 -25.797 1.00 0.00 C ATOM 215 O ARG A 13 -22.228 7.530 -24.946 1.00 0.00 O ATOM 216 CB ARG A 13 -21.649 8.852 -27.487 1.00 0.00 C ATOM 217 CG ARG A 13 -22.010 9.289 -28.896 1.00 0.00 C ATOM 218 CD ARG A 13 -23.496 9.583 -29.015 1.00 0.00 C ATOM 219 NE ARG A 13 -23.912 9.786 -30.403 1.00 0.00 N ATOM 220 CZ ARG A 13 -24.257 10.968 -30.912 1.00 0.00 C ATOM 221 NH1 ARG A 13 -24.124 12.066 -30.183 1.00 0.00 N ATOM 222 NH2 ARG A 13 -24.703 11.058 -32.164 1.00 0.00 N ATOM 0 H ARG A 13 -23.761 7.256 -27.480 1.00 0.00 H new ATOM 0 HA ARG A 13 -20.860 6.894 -27.843 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -22.339 9.320 -26.785 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.652 9.222 -27.248 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -21.438 10.178 -29.162 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.733 8.508 -29.604 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.063 8.757 -28.585 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -23.736 10.472 -28.432 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.940 8.973 -31.018 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.758 12.006 -29.233 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.388 12.971 -30.572 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.782 10.219 -32.739 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.966 11.966 -32.548 1.00 0.00 H new ATOM 236 N MET A 14 -20.533 6.164 -25.496 1.00 0.00 N ATOM 237 CA MET A 14 -20.253 5.789 -24.122 1.00 0.00 C ATOM 238 C MET A 14 -18.778 6.013 -23.815 1.00 0.00 C ATOM 239 O MET A 14 -17.984 5.075 -23.784 1.00 0.00 O ATOM 240 CB MET A 14 -20.657 4.327 -23.877 1.00 0.00 C ATOM 241 CG MET A 14 -20.512 3.867 -22.436 1.00 0.00 C ATOM 242 SD MET A 14 -21.176 2.208 -22.177 1.00 0.00 S ATOM 243 CE MET A 14 -20.785 1.952 -20.446 1.00 0.00 C ATOM 0 H MET A 14 -19.930 5.717 -26.187 1.00 0.00 H new ATOM 0 HA MET A 14 -20.841 6.415 -23.451 1.00 0.00 H new ATOM 0 HB2 MET A 14 -21.694 4.193 -24.185 1.00 0.00 H new ATOM 0 HB3 MET A 14 -20.049 3.684 -24.514 1.00 0.00 H new ATOM 0 HG2 MET A 14 -19.459 3.882 -22.156 1.00 0.00 H new ATOM 0 HG3 MET A 14 -21.026 4.569 -21.779 1.00 0.00 H new ATOM 0 HE1 MET A 14 -21.134 0.967 -20.136 1.00 0.00 H new ATOM 0 HE2 MET A 14 -19.706 2.017 -20.303 1.00 0.00 H new ATOM 0 HE3 MET A 14 -21.277 2.717 -19.845 1.00 0.00 H new ATOM 253 N SER A 15 -18.415 7.274 -23.626 1.00 0.00 N ATOM 254 CA SER A 15 -17.036 7.646 -23.358 1.00 0.00 C ATOM 255 C SER A 15 -16.742 7.567 -21.865 1.00 0.00 C ATOM 256 O SER A 15 -17.050 8.491 -21.105 1.00 0.00 O ATOM 257 CB SER A 15 -16.756 9.060 -23.885 1.00 0.00 C ATOM 258 OG SER A 15 -15.431 9.477 -23.595 1.00 0.00 O ATOM 0 H SER A 15 -19.063 8.061 -23.654 1.00 0.00 H new ATOM 0 HA SER A 15 -16.381 6.945 -23.875 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.917 9.085 -24.963 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.463 9.760 -23.441 1.00 0.00 H new ATOM 0 HG SER A 15 -15.288 10.381 -23.946 1.00 0.00 H new ATOM 264 N ILE A 16 -16.190 6.439 -21.441 1.00 0.00 N ATOM 265 CA ILE A 16 -15.773 6.267 -20.059 1.00 0.00 C ATOM 266 C ILE A 16 -14.454 5.505 -20.007 1.00 0.00 C ATOM 267 O ILE A 16 -14.092 4.792 -20.945 1.00 0.00 O ATOM 268 CB ILE A 16 -16.809 5.495 -19.204 1.00 0.00 C ATOM 269 CG1 ILE A 16 -18.244 5.768 -19.676 1.00 0.00 C ATOM 270 CG2 ILE A 16 -16.662 5.869 -17.731 1.00 0.00 C ATOM 271 CD1 ILE A 16 -19.300 5.011 -18.900 1.00 0.00 C ATOM 0 H ILE A 16 -16.021 5.628 -22.037 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.670 7.269 -19.644 1.00 0.00 H new ATOM 0 HB ILE A 16 -16.613 4.430 -19.326 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -18.445 6.836 -19.597 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -18.325 5.506 -20.731 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.396 5.320 -17.141 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -15.658 5.615 -17.390 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.827 6.940 -17.609 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -20.287 5.257 -19.293 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -19.127 3.940 -19.000 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -19.249 5.290 -17.848 1.00 0.00 H new ATOM 283 N GLU A 17 -13.760 5.658 -18.899 1.00 0.00 N ATOM 284 CA GLU A 17 -12.493 4.991 -18.666 1.00 0.00 C ATOM 285 C GLU A 17 -12.220 5.025 -17.170 1.00 0.00 C ATOM 286 O GLU A 17 -11.575 5.943 -16.660 1.00 0.00 O ATOM 287 CB GLU A 17 -11.361 5.674 -19.446 1.00 0.00 C ATOM 288 CG GLU A 17 -10.196 4.754 -19.799 1.00 0.00 C ATOM 289 CD GLU A 17 -9.422 4.260 -18.590 1.00 0.00 C ATOM 290 OE1 GLU A 17 -8.508 4.980 -18.131 1.00 0.00 O ATOM 291 OE2 GLU A 17 -9.716 3.143 -18.103 1.00 0.00 O ATOM 0 H GLU A 17 -14.060 6.253 -18.127 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.541 3.960 -19.016 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.770 6.092 -20.366 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.983 6.510 -18.857 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.577 3.895 -20.351 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.514 5.284 -20.464 1.00 0.00 H new ATOM 298 N ALA A 18 -12.777 4.058 -16.462 1.00 0.00 N ATOM 299 CA ALA A 18 -12.707 4.049 -15.015 1.00 0.00 C ATOM 300 C ALA A 18 -12.435 2.652 -14.483 1.00 0.00 C ATOM 301 O ALA A 18 -13.340 1.821 -14.398 1.00 0.00 O ATOM 302 CB ALA A 18 -13.994 4.602 -14.419 1.00 0.00 C ATOM 0 H ALA A 18 -13.282 3.270 -16.867 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.876 4.688 -14.716 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.926 4.589 -13.331 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.143 5.626 -14.761 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.836 3.987 -14.738 1.00 0.00 H new ATOM 308 N PRO A 19 -11.174 2.366 -14.152 1.00 0.00 N ATOM 309 CA PRO A 19 -10.801 1.122 -13.501 1.00 0.00 C ATOM 310 C PRO A 19 -11.146 1.169 -12.022 1.00 0.00 C ATOM 311 O PRO A 19 -11.106 2.243 -11.408 1.00 0.00 O ATOM 312 CB PRO A 19 -9.277 1.041 -13.686 1.00 0.00 C ATOM 313 CG PRO A 19 -8.875 2.252 -14.474 1.00 0.00 C ATOM 314 CD PRO A 19 -10.014 3.227 -14.397 1.00 0.00 C ATOM 0 HA PRO A 19 -11.324 0.262 -13.918 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.770 1.021 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.999 0.127 -14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.964 2.691 -14.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.666 1.985 -15.510 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.872 3.950 -13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.122 3.795 -15.321 1.00 0.00 H new ATOM 322 N GLU A 20 -11.502 0.027 -11.447 1.00 0.00 N ATOM 323 CA GLU A 20 -11.754 -0.043 -10.017 1.00 0.00 C ATOM 324 C GLU A 20 -10.453 0.206 -9.268 1.00 0.00 C ATOM 325 O GLU A 20 -9.630 -0.700 -9.106 1.00 0.00 O ATOM 326 CB GLU A 20 -12.342 -1.399 -9.625 1.00 0.00 C ATOM 327 CG GLU A 20 -13.643 -1.725 -10.335 1.00 0.00 C ATOM 328 CD GLU A 20 -14.333 -2.937 -9.747 1.00 0.00 C ATOM 329 OE1 GLU A 20 -13.676 -3.993 -9.616 1.00 0.00 O ATOM 330 OE2 GLU A 20 -15.526 -2.834 -9.388 1.00 0.00 O ATOM 0 H GLU A 20 -11.621 -0.855 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.483 0.722 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.613 -2.179 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.511 -1.415 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.311 -0.866 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.443 -1.901 -11.392 1.00 0.00 H new ATOM 337 N THR A 21 -10.258 1.446 -8.858 1.00 0.00 N ATOM 338 CA THR A 21 -9.015 1.870 -8.250 1.00 0.00 C ATOM 339 C THR A 21 -9.192 2.033 -6.744 1.00 0.00 C ATOM 340 O THR A 21 -10.289 2.353 -6.278 1.00 0.00 O ATOM 341 CB THR A 21 -8.555 3.204 -8.866 1.00 0.00 C ATOM 342 OG1 THR A 21 -8.655 3.138 -10.296 1.00 0.00 O ATOM 343 CG2 THR A 21 -7.123 3.529 -8.481 1.00 0.00 C ATOM 0 H THR A 21 -10.957 2.185 -8.938 1.00 0.00 H new ATOM 0 HA THR A 21 -8.258 1.108 -8.437 1.00 0.00 H new ATOM 0 HB THR A 21 -9.203 3.991 -8.480 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.586 2.970 -10.551 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.831 4.477 -8.933 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.046 3.605 -7.396 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.462 2.739 -8.837 1.00 0.00 H new ATOM 351 N VAL A 22 -8.121 1.806 -5.993 1.00 0.00 N ATOM 352 CA VAL A 22 -8.163 1.934 -4.549 1.00 0.00 C ATOM 353 C VAL A 22 -7.935 3.381 -4.137 1.00 0.00 C ATOM 354 O VAL A 22 -6.911 3.980 -4.472 1.00 0.00 O ATOM 355 CB VAL A 22 -7.109 1.033 -3.867 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.245 1.098 -2.351 1.00 0.00 C ATOM 357 CG2 VAL A 22 -7.233 -0.407 -4.361 1.00 0.00 C ATOM 0 H VAL A 22 -7.212 1.532 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.152 1.613 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.119 1.401 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.494 0.457 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.100 2.125 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.239 0.759 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.483 -1.026 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.227 -0.788 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.078 -0.436 -5.439 1.00 0.00 H new ATOM 367 N VAL A 23 -8.903 3.943 -3.433 1.00 0.00 N ATOM 368 CA VAL A 23 -8.787 5.298 -2.925 1.00 0.00 C ATOM 369 C VAL A 23 -8.149 5.281 -1.544 1.00 0.00 C ATOM 370 O VAL A 23 -8.624 4.591 -0.639 1.00 0.00 O ATOM 371 CB VAL A 23 -10.158 6.000 -2.854 1.00 0.00 C ATOM 372 CG1 VAL A 23 -10.015 7.438 -2.379 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.851 5.950 -4.210 1.00 0.00 C ATOM 0 H VAL A 23 -9.781 3.479 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.158 5.858 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.773 5.468 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.998 7.907 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.566 7.450 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.378 7.988 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.817 6.450 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.233 6.453 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.999 4.911 -4.505 1.00 0.00 H new ATOM 383 N VAL A 24 -7.070 6.032 -1.391 1.00 0.00 N ATOM 384 CA VAL A 24 -6.322 6.046 -0.146 1.00 0.00 C ATOM 385 C VAL A 24 -6.206 7.454 0.412 1.00 0.00 C ATOM 386 O VAL A 24 -6.312 8.442 -0.317 1.00 0.00 O ATOM 387 CB VAL A 24 -4.903 5.452 -0.321 1.00 0.00 C ATOM 388 CG1 VAL A 24 -4.975 3.966 -0.646 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.137 6.198 -1.405 1.00 0.00 C ATOM 0 H VAL A 24 -6.692 6.641 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.878 5.425 0.556 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.368 5.571 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.966 3.570 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.478 3.440 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.532 3.823 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.143 5.765 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.672 6.116 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.047 7.249 -1.129 1.00 0.00 H new ATOM 399 N SER A 25 -6.003 7.533 1.711 1.00 0.00 N ATOM 400 CA SER A 25 -5.792 8.799 2.378 1.00 0.00 C ATOM 401 C SER A 25 -4.382 8.834 2.950 1.00 0.00 C ATOM 402 O SER A 25 -3.932 9.842 3.504 1.00 0.00 O ATOM 403 CB SER A 25 -6.821 8.971 3.494 1.00 0.00 C ATOM 404 OG SER A 25 -6.830 10.294 3.991 1.00 0.00 O ATOM 0 H SER A 25 -5.980 6.724 2.331 1.00 0.00 H new ATOM 0 HA SER A 25 -5.910 9.616 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.812 8.715 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.599 8.278 4.305 1.00 0.00 H new ATOM 0 HG SER A 25 -7.647 10.749 3.696 1.00 0.00 H new ATOM 410 N THR A 26 -3.687 7.718 2.805 1.00 0.00 N ATOM 411 CA THR A 26 -2.347 7.571 3.328 1.00 0.00 C ATOM 412 C THR A 26 -1.297 7.890 2.269 1.00 0.00 C ATOM 413 O THR A 26 -1.402 7.445 1.125 1.00 0.00 O ATOM 414 CB THR A 26 -2.134 6.141 3.859 1.00 0.00 C ATOM 415 OG1 THR A 26 -2.864 5.205 3.050 1.00 0.00 O ATOM 416 CG2 THR A 26 -2.579 6.023 5.310 1.00 0.00 C ATOM 0 H THR A 26 -4.039 6.892 2.321 1.00 0.00 H new ATOM 0 HA THR A 26 -2.232 8.282 4.146 1.00 0.00 H new ATOM 0 HB THR A 26 -1.069 5.915 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.723 4.297 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.417 5.003 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.001 6.713 5.925 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.638 6.269 5.387 1.00 0.00 H new ATOM 424 N TRP A 27 -0.300 8.676 2.656 1.00 0.00 N ATOM 425 CA TRP A 27 0.815 8.987 1.780 1.00 0.00 C ATOM 426 C TRP A 27 1.785 7.813 1.760 1.00 0.00 C ATOM 427 O TRP A 27 2.451 7.552 0.755 1.00 0.00 O ATOM 428 CB TRP A 27 1.514 10.269 2.238 1.00 0.00 C ATOM 429 CG TRP A 27 0.647 11.488 2.116 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.008 12.136 3.124 1.00 0.00 C ATOM 431 CD2 TRP A 27 0.332 12.200 0.913 1.00 0.00 C ATOM 432 NE1 TRP A 27 -0.700 13.214 2.622 1.00 0.00 N ATOM 433 CE2 TRP A 27 -0.507 13.274 1.267 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.687 12.039 -0.430 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -1.003 14.174 0.326 1.00 0.00 C ATOM 436 CZ3 TRP A 27 0.193 12.931 -1.363 1.00 0.00 C ATOM 437 CH2 TRP A 27 -0.640 13.989 -0.982 1.00 0.00 C ATOM 0 H TRP A 27 -0.244 9.110 3.577 1.00 0.00 H new ATOM 0 HA TRP A 27 0.445 9.155 0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.826 10.155 3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.419 10.413 1.647 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.014 11.845 4.164 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.265 13.863 3.170 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.336 11.231 -0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.650 14.988 0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.454 12.809 -2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -1.004 14.673 -1.734 1.00 0.00 H new ATOM 448 N LYS A 28 1.855 7.107 2.881 1.00 0.00 N ATOM 449 CA LYS A 28 2.582 5.856 2.945 1.00 0.00 C ATOM 450 C LYS A 28 1.589 4.706 2.818 1.00 0.00 C ATOM 451 O LYS A 28 0.808 4.429 3.733 1.00 0.00 O ATOM 452 CB LYS A 28 3.388 5.750 4.248 1.00 0.00 C ATOM 453 CG LYS A 28 2.551 5.858 5.520 1.00 0.00 C ATOM 454 CD LYS A 28 3.399 5.696 6.775 1.00 0.00 C ATOM 455 CE LYS A 28 4.323 6.883 6.991 1.00 0.00 C ATOM 456 NZ LYS A 28 5.075 6.772 8.266 1.00 0.00 N ATOM 0 H LYS A 28 1.414 7.384 3.758 1.00 0.00 H new ATOM 0 HA LYS A 28 3.298 5.810 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.918 4.797 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.144 6.535 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.050 6.826 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.772 5.096 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.747 5.581 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.991 4.784 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.025 6.953 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.738 7.803 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.694 7.600 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.406 6.731 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.653 5.907 8.254 1.00 0.00 H new ATOM 470 N VAL A 29 1.591 4.061 1.669 1.00 0.00 N ATOM 471 CA VAL A 29 0.596 3.041 1.385 1.00 0.00 C ATOM 472 C VAL A 29 1.147 1.658 1.686 1.00 0.00 C ATOM 473 O VAL A 29 2.351 1.422 1.603 1.00 0.00 O ATOM 474 CB VAL A 29 0.132 3.075 -0.084 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.223 2.395 -0.248 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.094 4.501 -0.612 1.00 0.00 C ATOM 0 H VAL A 29 2.264 4.222 0.920 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.259 3.255 2.026 1.00 0.00 H new ATOM 0 HB VAL A 29 0.859 2.518 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.525 2.434 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.149 1.355 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.965 2.909 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.237 4.496 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.599 5.092 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.091 4.938 -0.551 1.00 0.00 H new ATOM 486 N ALA A 30 0.252 0.754 2.026 1.00 0.00 N ATOM 487 CA ALA A 30 0.606 -0.626 2.298 1.00 0.00 C ATOM 488 C ALA A 30 -0.082 -1.529 1.286 1.00 0.00 C ATOM 489 O ALA A 30 -1.285 -1.780 1.376 1.00 0.00 O ATOM 490 CB ALA A 30 0.216 -1.013 3.721 1.00 0.00 C ATOM 0 H ALA A 30 -0.743 0.954 2.122 1.00 0.00 H new ATOM 0 HA ALA A 30 1.686 -0.744 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.490 -2.052 3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.738 -0.370 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.860 -0.894 3.848 1.00 0.00 H new ATOM 496 N CYS A 31 0.676 -1.999 0.311 1.00 0.00 N ATOM 497 CA CYS A 31 0.111 -2.812 -0.744 1.00 0.00 C ATOM 498 C CYS A 31 0.036 -4.247 -0.282 1.00 0.00 C ATOM 499 O CYS A 31 1.035 -4.840 0.128 1.00 0.00 O ATOM 500 CB CYS A 31 0.918 -2.692 -2.029 1.00 0.00 C ATOM 501 SG CYS A 31 0.147 -3.485 -3.459 1.00 0.00 S ATOM 0 H CYS A 31 1.679 -1.831 0.230 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.895 -2.454 -0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.072 -1.636 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.903 -3.132 -1.870 1.00 0.00 H new ATOM 0 HG CYS A 31 0.839 -4.531 -3.801 1.00 0.00 H new ATOM 507 N ASP A 32 -1.157 -4.789 -0.356 1.00 0.00 N ATOM 508 CA ASP A 32 -1.451 -6.075 0.262 1.00 0.00 C ATOM 509 C ASP A 32 -1.676 -7.170 -0.767 1.00 0.00 C ATOM 510 O ASP A 32 -1.558 -8.357 -0.466 1.00 0.00 O ATOM 511 CB ASP A 32 -2.690 -5.943 1.149 1.00 0.00 C ATOM 512 CG ASP A 32 -2.437 -6.352 2.586 1.00 0.00 C ATOM 513 OD1 ASP A 32 -2.628 -7.542 2.914 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.072 -5.480 3.404 1.00 0.00 O ATOM 0 H ASP A 32 -1.948 -4.362 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.585 -6.359 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.037 -4.910 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.491 -6.557 0.738 1.00 0.00 H new ATOM 519 N GLY A 33 -1.998 -6.763 -1.978 1.00 0.00 N ATOM 520 CA GLY A 33 -2.340 -7.716 -3.013 1.00 0.00 C ATOM 521 C GLY A 33 -3.750 -8.243 -2.849 1.00 0.00 C ATOM 522 O GLY A 33 -4.694 -7.698 -3.415 1.00 0.00 O ATOM 0 H GLY A 33 -2.030 -5.786 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.240 -7.243 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.636 -8.548 -2.988 1.00 0.00 H new ATOM 526 N GLY A 34 -3.886 -9.281 -2.049 1.00 0.00 N ATOM 527 CA GLY A 34 -5.181 -9.886 -1.816 1.00 0.00 C ATOM 528 C GLY A 34 -5.144 -10.860 -0.661 1.00 0.00 C ATOM 529 O GLY A 34 -4.490 -10.597 0.350 1.00 0.00 O ATOM 0 H GLY A 34 -3.115 -9.723 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.915 -9.107 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.508 -10.403 -2.718 1.00 0.00 H new ATOM 533 N GLU A 35 -5.836 -11.980 -0.808 1.00 0.00 N ATOM 534 CA GLU A 35 -5.845 -13.014 0.220 1.00 0.00 C ATOM 535 C GLU A 35 -4.554 -13.822 0.201 1.00 0.00 C ATOM 536 O GLU A 35 -3.662 -13.574 -0.612 1.00 0.00 O ATOM 537 CB GLU A 35 -7.036 -13.956 0.039 1.00 0.00 C ATOM 538 CG GLU A 35 -8.384 -13.281 0.222 1.00 0.00 C ATOM 539 CD GLU A 35 -9.523 -14.273 0.231 1.00 0.00 C ATOM 540 OE1 GLU A 35 -9.991 -14.664 -0.857 1.00 0.00 O ATOM 541 OE2 GLU A 35 -9.955 -14.674 1.332 1.00 0.00 O ATOM 0 H GLU A 35 -6.400 -12.198 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.931 -12.510 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.992 -14.395 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.951 -14.776 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.384 -12.722 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.539 -12.560 -0.580 1.00 0.00 H new ATOM 548 N GLY A 36 -4.471 -14.796 1.097 1.00 0.00 N ATOM 549 CA GLY A 36 -3.293 -15.638 1.179 1.00 0.00 C ATOM 550 C GLY A 36 -2.980 -16.334 -0.133 1.00 0.00 C ATOM 551 O GLY A 36 -3.878 -16.882 -0.775 1.00 0.00 O ATOM 0 H GLY A 36 -5.202 -15.019 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.438 -15.032 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.440 -16.387 1.957 1.00 0.00 H new ATOM 555 N ALA A 37 -1.709 -16.260 -0.540 1.00 0.00 N ATOM 556 CA ALA A 37 -1.212 -16.876 -1.782 1.00 0.00 C ATOM 557 C ALA A 37 -1.619 -16.073 -3.019 1.00 0.00 C ATOM 558 O ALA A 37 -0.914 -16.074 -4.029 1.00 0.00 O ATOM 559 CB ALA A 37 -1.658 -18.331 -1.905 1.00 0.00 C ATOM 0 H ALA A 37 -0.987 -15.767 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.123 -16.864 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.273 -18.752 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.273 -18.902 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.747 -18.379 -1.909 1.00 0.00 H new ATOM 565 N LEU A 38 -2.745 -15.378 -2.930 1.00 0.00 N ATOM 566 CA LEU A 38 -3.220 -14.536 -4.024 1.00 0.00 C ATOM 567 C LEU A 38 -2.535 -13.177 -3.974 1.00 0.00 C ATOM 568 O LEU A 38 -2.363 -12.511 -4.995 1.00 0.00 O ATOM 569 CB LEU A 38 -4.739 -14.358 -3.944 1.00 0.00 C ATOM 570 CG LEU A 38 -5.551 -15.650 -4.061 1.00 0.00 C ATOM 571 CD1 LEU A 38 -7.032 -15.356 -3.908 1.00 0.00 C ATOM 572 CD2 LEU A 38 -5.278 -16.336 -5.396 1.00 0.00 C ATOM 0 H LEU A 38 -3.350 -15.380 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.975 -15.024 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.984 -13.878 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.052 -13.678 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.246 -16.324 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.598 -16.284 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.215 -14.908 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.348 -14.665 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.864 -17.253 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.557 -15.669 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.218 -16.577 -5.471 1.00 0.00 H new ATOM 584 N GLY A 39 -2.151 -12.775 -2.774 1.00 0.00 N ATOM 585 CA GLY A 39 -1.469 -11.518 -2.596 1.00 0.00 C ATOM 586 C GLY A 39 0.016 -11.693 -2.371 1.00 0.00 C ATOM 587 O GLY A 39 0.465 -12.738 -1.898 1.00 0.00 O ATOM 0 H GLY A 39 -2.302 -13.304 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.629 -10.894 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.902 -10.990 -1.747 1.00 0.00 H new ATOM 591 N HIS A 40 0.771 -10.665 -2.713 1.00 0.00 N ATOM 592 CA HIS A 40 2.212 -10.655 -2.502 1.00 0.00 C ATOM 593 C HIS A 40 2.520 -10.232 -1.063 1.00 0.00 C ATOM 594 O HIS A 40 1.617 -9.792 -0.348 1.00 0.00 O ATOM 595 CB HIS A 40 2.872 -9.683 -3.497 1.00 0.00 C ATOM 596 CG HIS A 40 2.317 -8.289 -3.429 1.00 0.00 C ATOM 597 ND1 HIS A 40 2.475 -7.454 -2.346 1.00 0.00 N ATOM 598 CD2 HIS A 40 1.566 -7.600 -4.324 1.00 0.00 C ATOM 599 CE1 HIS A 40 1.827 -6.320 -2.599 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.258 -6.351 -3.790 1.00 0.00 N ATOM 0 H HIS A 40 0.407 -9.815 -3.144 1.00 0.00 H new ATOM 0 HA HIS A 40 2.611 -11.656 -2.667 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.944 -9.649 -3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.743 -10.068 -4.509 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.998 -7.668 -1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.257 -7.961 -5.294 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.773 -5.483 -1.919 1.00 0.00 H new ATOM 608 N PRO A 41 3.784 -10.366 -0.610 1.00 0.00 N ATOM 609 CA PRO A 41 4.210 -9.836 0.690 1.00 0.00 C ATOM 610 C PRO A 41 3.872 -8.356 0.819 1.00 0.00 C ATOM 611 O PRO A 41 3.950 -7.616 -0.156 1.00 0.00 O ATOM 612 CB PRO A 41 5.727 -10.047 0.685 1.00 0.00 C ATOM 613 CG PRO A 41 5.947 -11.181 -0.255 1.00 0.00 C ATOM 614 CD PRO A 41 4.884 -11.055 -1.310 1.00 0.00 C ATOM 0 HA PRO A 41 3.713 -10.327 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.251 -9.150 0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.098 -10.282 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.943 -11.135 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.872 -12.137 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.236 -10.481 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.573 -12.030 -1.685 1.00 0.00 H new ATOM 622 N ARG A 42 3.493 -7.933 2.012 1.00 0.00 N ATOM 623 CA ARG A 42 3.023 -6.573 2.233 1.00 0.00 C ATOM 624 C ARG A 42 4.138 -5.567 1.968 1.00 0.00 C ATOM 625 O ARG A 42 5.146 -5.548 2.676 1.00 0.00 O ATOM 626 CB ARG A 42 2.518 -6.429 3.666 1.00 0.00 C ATOM 627 CG ARG A 42 1.280 -5.562 3.788 1.00 0.00 C ATOM 628 CD ARG A 42 0.817 -5.450 5.232 1.00 0.00 C ATOM 629 NE ARG A 42 0.705 -6.753 5.891 1.00 0.00 N ATOM 630 CZ ARG A 42 -0.455 -7.339 6.186 1.00 0.00 C ATOM 631 NH1 ARG A 42 -1.593 -6.845 5.726 1.00 0.00 N ATOM 632 NH2 ARG A 42 -0.473 -8.459 6.887 1.00 0.00 N ATOM 0 H ARG A 42 3.501 -8.515 2.850 1.00 0.00 H new ATOM 0 HA ARG A 42 2.206 -6.370 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.299 -7.419 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.311 -6.004 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.491 -4.568 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.479 -5.982 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.517 -4.826 5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.150 -4.948 5.262 1.00 0.00 H new ATOM 0 HE ARG A 42 1.566 -7.241 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.587 -6.010 5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.476 -7.300 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.402 -8.877 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.362 -8.906 7.112 1.00 0.00 H new ATOM 646 N VAL A 43 3.955 -4.737 0.950 1.00 0.00 N ATOM 647 CA VAL A 43 4.970 -3.759 0.566 1.00 0.00 C ATOM 648 C VAL A 43 4.492 -2.358 0.923 1.00 0.00 C ATOM 649 O VAL A 43 3.290 -2.113 1.015 1.00 0.00 O ATOM 650 CB VAL A 43 5.269 -3.793 -0.952 1.00 0.00 C ATOM 651 CG1 VAL A 43 6.558 -3.061 -1.282 1.00 0.00 C ATOM 652 CG2 VAL A 43 5.314 -5.215 -1.479 1.00 0.00 C ATOM 0 H VAL A 43 3.114 -4.720 0.374 1.00 0.00 H new ATOM 0 HA VAL A 43 5.881 -4.015 1.106 1.00 0.00 H new ATOM 0 HB VAL A 43 4.449 -3.275 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.737 -3.105 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.475 -2.020 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.389 -3.532 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.526 -5.200 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.096 -5.770 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.352 -5.698 -1.307 1.00 0.00 H new ATOM 662 N TRP A 44 5.427 -1.446 1.101 1.00 0.00 N ATOM 663 CA TRP A 44 5.112 -0.079 1.439 1.00 0.00 C ATOM 664 C TRP A 44 5.418 0.834 0.265 1.00 0.00 C ATOM 665 O TRP A 44 6.510 0.781 -0.305 1.00 0.00 O ATOM 666 CB TRP A 44 5.921 0.350 2.655 1.00 0.00 C ATOM 667 CG TRP A 44 5.577 -0.414 3.895 1.00 0.00 C ATOM 668 CD1 TRP A 44 6.210 -1.521 4.372 1.00 0.00 C ATOM 669 CD2 TRP A 44 4.514 -0.132 4.811 1.00 0.00 C ATOM 670 NE1 TRP A 44 5.610 -1.946 5.530 1.00 0.00 N ATOM 671 CE2 TRP A 44 4.565 -1.110 5.821 1.00 0.00 C ATOM 672 CE3 TRP A 44 3.525 0.852 4.876 1.00 0.00 C ATOM 673 CZ2 TRP A 44 3.666 -1.132 6.882 1.00 0.00 C ATOM 674 CZ3 TRP A 44 2.632 0.829 5.930 1.00 0.00 C ATOM 675 CH2 TRP A 44 2.708 -0.156 6.922 1.00 0.00 C ATOM 0 H TRP A 44 6.426 -1.635 1.015 1.00 0.00 H new ATOM 0 HA TRP A 44 4.050 -0.007 1.672 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.982 0.222 2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.758 1.413 2.835 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.061 -1.996 3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.896 -2.753 6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.459 1.617 4.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.722 -1.892 7.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.862 1.584 5.990 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.997 -0.145 7.735 1.00 0.00 H new ATOM 686 N LEU A 45 4.451 1.664 -0.097 1.00 0.00 N ATOM 687 CA LEU A 45 4.603 2.588 -1.201 1.00 0.00 C ATOM 688 C LEU A 45 4.628 4.014 -0.682 1.00 0.00 C ATOM 689 O LEU A 45 4.161 4.288 0.425 1.00 0.00 O ATOM 690 CB LEU A 45 3.454 2.422 -2.196 1.00 0.00 C ATOM 691 CG LEU A 45 3.308 1.023 -2.795 1.00 0.00 C ATOM 692 CD1 LEU A 45 2.099 0.967 -3.714 1.00 0.00 C ATOM 693 CD2 LEU A 45 4.570 0.628 -3.547 1.00 0.00 C ATOM 0 H LEU A 45 3.544 1.713 0.367 1.00 0.00 H new ATOM 0 HA LEU A 45 5.543 2.372 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.521 2.685 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.593 3.135 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 45 3.159 0.312 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.007 -0.035 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.200 1.207 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.222 1.689 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.446 -0.371 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.751 1.340 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.418 0.632 -2.862 1.00 0.00 H new ATOM 705 N SER A 46 5.160 4.912 -1.487 1.00 0.00 N ATOM 706 CA SER A 46 5.264 6.316 -1.121 1.00 0.00 C ATOM 707 C SER A 46 4.606 7.177 -2.188 1.00 0.00 C ATOM 708 O SER A 46 5.081 7.240 -3.324 1.00 0.00 O ATOM 709 CB SER A 46 6.739 6.705 -0.952 1.00 0.00 C ATOM 710 OG SER A 46 6.891 8.064 -0.562 1.00 0.00 O ATOM 0 H SER A 46 5.532 4.693 -2.411 1.00 0.00 H new ATOM 0 HA SER A 46 4.751 6.480 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.201 6.060 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.268 6.536 -1.890 1.00 0.00 H new ATOM 0 HG SER A 46 7.844 8.271 -0.463 1.00 0.00 H new ATOM 716 N ILE A 47 3.502 7.817 -1.831 1.00 0.00 N ATOM 717 CA ILE A 47 2.800 8.698 -2.754 1.00 0.00 C ATOM 718 C ILE A 47 3.418 10.089 -2.735 1.00 0.00 C ATOM 719 O ILE A 47 3.543 10.710 -1.675 1.00 0.00 O ATOM 720 CB ILE A 47 1.294 8.815 -2.420 1.00 0.00 C ATOM 721 CG1 ILE A 47 0.608 7.452 -2.533 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.616 9.825 -3.339 1.00 0.00 C ATOM 723 CD1 ILE A 47 -0.885 7.495 -2.286 1.00 0.00 C ATOM 0 H ILE A 47 3.073 7.743 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 47 2.898 8.256 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 47 1.201 9.165 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.790 7.046 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.065 6.766 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.442 9.892 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.082 10.802 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.723 9.504 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.299 6.491 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.077 7.870 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.356 8.154 -3.015 1.00 0.00 H new ATOM 735 N PRO A 48 3.836 10.581 -3.905 1.00 0.00 N ATOM 736 CA PRO A 48 4.372 11.932 -4.048 1.00 0.00 C ATOM 737 C PRO A 48 3.308 12.988 -3.746 1.00 0.00 C ATOM 738 O PRO A 48 2.164 12.887 -4.198 1.00 0.00 O ATOM 739 CB PRO A 48 4.810 11.999 -5.515 1.00 0.00 C ATOM 740 CG PRO A 48 4.874 10.583 -5.975 1.00 0.00 C ATOM 741 CD PRO A 48 3.833 9.855 -5.182 1.00 0.00 C ATOM 0 HA PRO A 48 5.188 12.132 -3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.101 12.574 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.779 12.488 -5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.675 10.509 -7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.864 10.160 -5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.857 9.890 -5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.086 8.803 -5.051 1.00 0.00 H new ATOM 749 N HIS A 49 3.698 14.006 -2.991 1.00 0.00 N ATOM 750 CA HIS A 49 2.758 14.988 -2.464 1.00 0.00 C ATOM 751 C HIS A 49 2.269 15.954 -3.538 1.00 0.00 C ATOM 752 O HIS A 49 1.274 16.651 -3.341 1.00 0.00 O ATOM 753 CB HIS A 49 3.397 15.775 -1.315 1.00 0.00 C ATOM 754 CG HIS A 49 3.614 14.974 -0.066 1.00 0.00 C ATOM 755 ND1 HIS A 49 3.048 15.305 1.141 1.00 0.00 N ATOM 756 CD2 HIS A 49 4.361 13.867 0.165 1.00 0.00 C ATOM 757 CE1 HIS A 49 3.435 14.443 2.060 1.00 0.00 C ATOM 758 NE2 HIS A 49 4.236 13.556 1.499 1.00 0.00 N ATOM 0 H HIS A 49 4.669 14.175 -2.727 1.00 0.00 H new ATOM 0 HA HIS A 49 1.894 14.436 -2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.356 16.171 -1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.764 16.630 -1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.947 13.328 -0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.145 14.460 3.100 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.686 12.773 1.974 1.00 0.00 H new ATOM 767 N GLU A 50 2.958 16.012 -4.667 1.00 0.00 N ATOM 768 CA GLU A 50 2.569 16.935 -5.726 1.00 0.00 C ATOM 769 C GLU A 50 1.814 16.224 -6.844 1.00 0.00 C ATOM 770 O GLU A 50 1.498 16.829 -7.867 1.00 0.00 O ATOM 771 CB GLU A 50 3.775 17.698 -6.292 1.00 0.00 C ATOM 772 CG GLU A 50 4.912 16.823 -6.801 1.00 0.00 C ATOM 773 CD GLU A 50 5.685 16.162 -5.683 1.00 0.00 C ATOM 774 OE1 GLU A 50 6.508 16.844 -5.039 1.00 0.00 O ATOM 775 OE2 GLU A 50 5.457 14.965 -5.430 1.00 0.00 O ATOM 0 H GLU A 50 3.777 15.441 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 50 1.896 17.663 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.433 18.333 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.164 18.358 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.507 16.055 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.592 17.430 -7.398 1.00 0.00 H new ATOM 782 N THR A 51 1.509 14.953 -6.647 1.00 0.00 N ATOM 783 CA THR A 51 0.704 14.216 -7.606 1.00 0.00 C ATOM 784 C THR A 51 -0.549 13.654 -6.938 1.00 0.00 C ATOM 785 O THR A 51 -1.667 14.067 -7.252 1.00 0.00 O ATOM 786 CB THR A 51 1.508 13.081 -8.268 1.00 0.00 C ATOM 787 OG1 THR A 51 2.277 12.381 -7.281 1.00 0.00 O ATOM 788 CG2 THR A 51 2.429 13.627 -9.351 1.00 0.00 C ATOM 0 H THR A 51 1.805 14.411 -5.835 1.00 0.00 H new ATOM 0 HA THR A 51 0.405 14.915 -8.387 1.00 0.00 H new ATOM 0 HB THR A 51 0.803 12.390 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.783 11.661 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.986 12.806 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.835 14.127 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.127 14.339 -8.910 1.00 0.00 H new ATOM 796 N GLY A 52 -0.357 12.733 -5.999 1.00 0.00 N ATOM 797 CA GLY A 52 -1.481 12.157 -5.282 1.00 0.00 C ATOM 798 C GLY A 52 -1.975 10.863 -5.902 1.00 0.00 C ATOM 799 O GLY A 52 -3.127 10.473 -5.706 1.00 0.00 O ATOM 0 H GLY A 52 0.557 12.375 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.189 11.971 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.298 12.878 -5.258 1.00 0.00 H new ATOM 803 N PHE A 53 -1.108 10.194 -6.650 1.00 0.00 N ATOM 804 CA PHE A 53 -1.452 8.921 -7.266 1.00 0.00 C ATOM 805 C PHE A 53 -0.202 8.076 -7.473 1.00 0.00 C ATOM 806 O PHE A 53 0.901 8.614 -7.588 1.00 0.00 O ATOM 807 CB PHE A 53 -2.180 9.142 -8.599 1.00 0.00 C ATOM 808 CG PHE A 53 -1.425 9.970 -9.605 1.00 0.00 C ATOM 809 CD1 PHE A 53 -0.545 9.378 -10.495 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.609 11.342 -9.670 1.00 0.00 C ATOM 811 CE1 PHE A 53 0.142 10.138 -11.424 1.00 0.00 C ATOM 812 CE2 PHE A 53 -0.927 12.106 -10.598 1.00 0.00 C ATOM 813 CZ PHE A 53 -0.053 11.504 -11.476 1.00 0.00 C ATOM 0 H PHE A 53 -0.159 10.513 -6.845 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.124 8.386 -6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.400 8.170 -9.042 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.137 9.624 -8.398 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.393 8.309 -10.463 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.295 11.821 -8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.830 9.664 -12.108 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.079 13.175 -10.635 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.479 12.099 -12.204 1.00 0.00 H new ATOM 823 N VAL A 54 -0.368 6.759 -7.505 1.00 0.00 N ATOM 824 CA VAL A 54 0.759 5.860 -7.707 1.00 0.00 C ATOM 825 C VAL A 54 0.279 4.514 -8.241 1.00 0.00 C ATOM 826 O VAL A 54 -0.818 4.054 -7.910 1.00 0.00 O ATOM 827 CB VAL A 54 1.563 5.658 -6.394 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.719 4.966 -5.328 1.00 0.00 C ATOM 829 CG2 VAL A 54 2.854 4.887 -6.653 1.00 0.00 C ATOM 0 H VAL A 54 -1.268 6.293 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 54 1.421 6.318 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 54 1.831 6.645 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.310 4.839 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.158 5.574 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.401 3.989 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.396 4.760 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.616 3.908 -7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.473 5.441 -7.359 1.00 0.00 H new ATOM 839 N GLU A 55 1.082 3.903 -9.098 1.00 0.00 N ATOM 840 CA GLU A 55 0.799 2.563 -9.582 1.00 0.00 C ATOM 841 C GLU A 55 1.728 1.581 -8.888 1.00 0.00 C ATOM 842 O GLU A 55 2.913 1.870 -8.707 1.00 0.00 O ATOM 843 CB GLU A 55 0.985 2.473 -11.100 1.00 0.00 C ATOM 844 CG GLU A 55 0.165 3.484 -11.881 1.00 0.00 C ATOM 845 CD GLU A 55 0.234 3.253 -13.377 1.00 0.00 C ATOM 846 OE1 GLU A 55 1.284 3.544 -13.983 1.00 0.00 O ATOM 847 OE2 GLU A 55 -0.766 2.775 -13.954 1.00 0.00 O ATOM 0 H GLU A 55 1.936 4.316 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.239 2.320 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.040 2.615 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.717 1.469 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.874 3.433 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.521 4.489 -11.655 1.00 0.00 H new ATOM 854 N CYS A 56 1.198 0.434 -8.494 1.00 0.00 N ATOM 855 CA CYS A 56 1.976 -0.548 -7.758 1.00 0.00 C ATOM 856 C CYS A 56 3.111 -1.096 -8.617 1.00 0.00 C ATOM 857 O CYS A 56 2.885 -1.631 -9.703 1.00 0.00 O ATOM 858 CB CYS A 56 1.080 -1.693 -7.280 1.00 0.00 C ATOM 859 SG CYS A 56 1.917 -2.910 -6.233 1.00 0.00 S ATOM 0 H CYS A 56 0.232 0.161 -8.672 1.00 0.00 H new ATOM 0 HA CYS A 56 2.408 -0.053 -6.889 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.239 -1.274 -6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.667 -2.203 -8.150 1.00 0.00 H new ATOM 0 HG CYS A 56 1.385 -2.901 -5.047 1.00 0.00 H new ATOM 865 N GLY A 57 4.334 -0.960 -8.124 1.00 0.00 N ATOM 866 CA GLY A 57 5.486 -1.467 -8.840 1.00 0.00 C ATOM 867 C GLY A 57 5.711 -2.940 -8.570 1.00 0.00 C ATOM 868 O GLY A 57 6.842 -3.376 -8.366 1.00 0.00 O ATOM 0 H GLY A 57 4.549 -0.505 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.347 -1.310 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.373 -0.904 -8.548 1.00 0.00 H new ATOM 872 N TYR A 58 4.625 -3.700 -8.573 1.00 0.00 N ATOM 873 CA TYR A 58 4.681 -5.127 -8.294 1.00 0.00 C ATOM 874 C TYR A 58 3.397 -5.787 -8.779 1.00 0.00 C ATOM 875 O TYR A 58 3.429 -6.789 -9.492 1.00 0.00 O ATOM 876 CB TYR A 58 4.862 -5.367 -6.790 1.00 0.00 C ATOM 877 CG TYR A 58 5.503 -6.696 -6.445 1.00 0.00 C ATOM 878 CD1 TYR A 58 4.776 -7.878 -6.472 1.00 0.00 C ATOM 879 CD2 TYR A 58 6.841 -6.759 -6.087 1.00 0.00 C ATOM 880 CE1 TYR A 58 5.368 -9.085 -6.150 1.00 0.00 C ATOM 881 CE2 TYR A 58 7.438 -7.961 -5.762 1.00 0.00 C ATOM 882 CZ TYR A 58 6.698 -9.120 -5.795 1.00 0.00 C ATOM 883 OH TYR A 58 7.293 -10.318 -5.474 1.00 0.00 O ATOM 0 H TYR A 58 3.688 -3.348 -8.767 1.00 0.00 H new ATOM 0 HA TYR A 58 5.532 -5.562 -8.818 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.472 -4.564 -6.376 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.888 -5.310 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.732 -7.854 -6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.427 -5.852 -6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.790 -9.997 -6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.481 -7.991 -5.483 1.00 0.00 H new ATOM 0 HH TYR A 58 8.234 -10.166 -5.248 1.00 0.00 H new ATOM 893 N CYS A 59 2.268 -5.202 -8.391 1.00 0.00 N ATOM 894 CA CYS A 59 0.959 -5.696 -8.791 1.00 0.00 C ATOM 895 C CYS A 59 0.329 -4.740 -9.805 1.00 0.00 C ATOM 896 O CYS A 59 0.787 -3.612 -9.974 1.00 0.00 O ATOM 897 CB CYS A 59 0.061 -5.847 -7.558 1.00 0.00 C ATOM 898 SG CYS A 59 -1.517 -6.677 -7.865 1.00 0.00 S ATOM 0 H CYS A 59 2.237 -4.376 -7.793 1.00 0.00 H new ATOM 0 HA CYS A 59 1.070 -6.673 -9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.606 -6.403 -6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.139 -4.857 -7.148 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.191 -6.751 -6.756 1.00 0.00 H new ATOM 904 N ASP A 60 -0.730 -5.195 -10.461 1.00 0.00 N ATOM 905 CA ASP A 60 -1.388 -4.428 -11.512 1.00 0.00 C ATOM 906 C ASP A 60 -2.325 -3.370 -10.924 1.00 0.00 C ATOM 907 O ASP A 60 -2.935 -2.585 -11.651 1.00 0.00 O ATOM 908 CB ASP A 60 -2.167 -5.380 -12.431 1.00 0.00 C ATOM 909 CG ASP A 60 -2.753 -4.690 -13.649 1.00 0.00 C ATOM 910 OD1 ASP A 60 -1.976 -4.244 -14.514 1.00 0.00 O ATOM 911 OD2 ASP A 60 -3.999 -4.614 -13.760 1.00 0.00 O ATOM 0 H ASP A 60 -1.157 -6.104 -10.281 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.624 -3.908 -12.091 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.504 -6.181 -12.759 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.972 -5.845 -11.863 1.00 0.00 H new ATOM 916 N ARG A 61 -2.429 -3.344 -9.603 1.00 0.00 N ATOM 917 CA ARG A 61 -3.357 -2.455 -8.926 1.00 0.00 C ATOM 918 C ARG A 61 -2.801 -1.036 -8.802 1.00 0.00 C ATOM 919 O ARG A 61 -1.589 -0.824 -8.759 1.00 0.00 O ATOM 920 CB ARG A 61 -3.704 -3.030 -7.558 1.00 0.00 C ATOM 921 CG ARG A 61 -4.345 -4.405 -7.657 1.00 0.00 C ATOM 922 CD ARG A 61 -4.791 -4.944 -6.310 1.00 0.00 C ATOM 923 NE ARG A 61 -5.346 -6.290 -6.445 1.00 0.00 N ATOM 924 CZ ARG A 61 -6.415 -6.740 -5.789 1.00 0.00 C ATOM 925 NH1 ARG A 61 -7.055 -5.965 -4.921 1.00 0.00 N ATOM 926 NH2 ARG A 61 -6.841 -7.979 -6.003 1.00 0.00 N ATOM 0 H ARG A 61 -1.878 -3.932 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.264 -2.383 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.799 -3.096 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.383 -2.351 -7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.205 -4.353 -8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.635 -5.101 -8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.945 -4.962 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.539 -4.280 -5.877 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.881 -6.931 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.729 -5.014 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.872 -6.321 -4.425 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.351 -8.580 -6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.659 -8.330 -5.505 1.00 0.00 H new ATOM 940 N ARG A 62 -3.708 -0.072 -8.728 1.00 0.00 N ATOM 941 CA ARG A 62 -3.357 1.342 -8.749 1.00 0.00 C ATOM 942 C ARG A 62 -3.967 2.048 -7.540 1.00 0.00 C ATOM 943 O ARG A 62 -5.017 1.630 -7.047 1.00 0.00 O ATOM 944 CB ARG A 62 -3.874 1.947 -10.054 1.00 0.00 C ATOM 945 CG ARG A 62 -3.447 3.379 -10.326 1.00 0.00 C ATOM 946 CD ARG A 62 -3.847 3.794 -11.735 1.00 0.00 C ATOM 947 NE ARG A 62 -3.203 2.954 -12.747 1.00 0.00 N ATOM 948 CZ ARG A 62 -3.813 1.978 -13.426 1.00 0.00 C ATOM 949 NH1 ARG A 62 -5.116 1.752 -13.273 1.00 0.00 N ATOM 950 NH2 ARG A 62 -3.109 1.236 -14.270 1.00 0.00 N ATOM 0 H ARG A 62 -4.710 -0.248 -8.652 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.275 1.466 -8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.538 1.323 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.963 1.906 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.908 4.047 -9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.368 3.473 -10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.930 3.727 -11.841 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.574 4.836 -11.899 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.218 3.126 -12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.661 2.327 -12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.569 1.004 -13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.112 1.413 -14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.564 0.488 -14.794 1.00 0.00 H new ATOM 964 N TYR A 63 -3.316 3.104 -7.057 1.00 0.00 N ATOM 965 CA TYR A 63 -3.776 3.797 -5.866 1.00 0.00 C ATOM 966 C TYR A 63 -3.935 5.290 -6.130 1.00 0.00 C ATOM 967 O TYR A 63 -3.052 5.928 -6.711 1.00 0.00 O ATOM 968 CB TYR A 63 -2.803 3.555 -4.708 1.00 0.00 C ATOM 969 CG TYR A 63 -2.698 2.098 -4.313 1.00 0.00 C ATOM 970 CD1 TYR A 63 -1.773 1.258 -4.920 1.00 0.00 C ATOM 971 CD2 TYR A 63 -3.537 1.557 -3.350 1.00 0.00 C ATOM 972 CE1 TYR A 63 -1.688 -0.079 -4.578 1.00 0.00 C ATOM 973 CE2 TYR A 63 -3.456 0.223 -3.000 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.534 -0.591 -3.619 1.00 0.00 C ATOM 975 OH TYR A 63 -2.461 -1.923 -3.278 1.00 0.00 O ATOM 0 H TYR A 63 -2.471 3.494 -7.474 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.754 3.400 -5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.815 3.921 -4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.124 4.137 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.108 1.656 -5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.266 2.189 -2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.963 -0.718 -5.060 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.113 -0.180 -2.244 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.578 -2.274 -3.519 1.00 0.00 H new ATOM 985 N ILE A 64 -5.073 5.826 -5.714 1.00 0.00 N ATOM 986 CA ILE A 64 -5.387 7.238 -5.904 1.00 0.00 C ATOM 987 C ILE A 64 -5.732 7.877 -4.563 1.00 0.00 C ATOM 988 O ILE A 64 -6.549 7.343 -3.813 1.00 0.00 O ATOM 989 CB ILE A 64 -6.587 7.422 -6.867 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.285 6.821 -8.244 1.00 0.00 C ATOM 991 CG2 ILE A 64 -6.961 8.892 -7.004 1.00 0.00 C ATOM 992 CD1 ILE A 64 -5.139 7.490 -8.974 1.00 0.00 C ATOM 0 H ILE A 64 -5.804 5.298 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.510 7.718 -6.337 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.436 6.891 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.056 5.762 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.181 6.885 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.806 8.990 -7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.235 9.290 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.111 9.449 -7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.990 7.006 -9.939 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.372 8.544 -9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.229 7.403 -8.380 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.110 9.009 -4.252 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.420 9.718 -3.019 1.00 0.00 C ATOM 1006 C HIS A 65 -6.824 10.315 -3.117 1.00 0.00 C ATOM 1007 O HIS A 65 -7.251 10.727 -4.196 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.388 10.819 -2.741 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.487 11.407 -1.366 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.282 12.497 -1.102 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -3.875 11.022 -0.221 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -5.133 12.752 0.188 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.291 11.883 0.761 1.00 0.00 N ATOM 0 H HIS A 65 -4.396 9.451 -4.831 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.383 9.012 -2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.387 10.410 -2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.512 11.614 -3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.190 10.195 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.627 13.557 0.711 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.012 11.865 1.742 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.533 10.354 -1.993 1.00 0.00 N ATOM 1022 CA GLU A 66 -8.909 10.833 -1.950 1.00 0.00 C ATOM 1023 C GLU A 66 -9.060 12.229 -2.566 1.00 0.00 C ATOM 1024 O GLU A 66 -10.101 12.551 -3.141 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.414 10.839 -0.507 1.00 0.00 C ATOM 1026 CG GLU A 66 -8.621 11.744 0.420 1.00 0.00 C ATOM 1027 CD GLU A 66 -9.282 11.911 1.771 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -10.252 12.688 1.869 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -8.839 11.274 2.741 1.00 0.00 O ATOM 0 H GLU A 66 -7.170 10.055 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.511 10.149 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.458 11.153 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.384 9.821 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.621 11.332 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.502 12.722 -0.046 1.00 0.00 H new ATOM 1036 N SER A 67 -8.020 13.046 -2.464 1.00 0.00 N ATOM 1037 CA SER A 67 -8.070 14.407 -2.980 1.00 0.00 C ATOM 1038 C SER A 67 -8.020 14.419 -4.506 1.00 0.00 C ATOM 1039 O SER A 67 -8.476 15.368 -5.142 1.00 0.00 O ATOM 1040 CB SER A 67 -6.918 15.235 -2.409 1.00 0.00 C ATOM 1041 OG SER A 67 -6.951 16.571 -2.889 1.00 0.00 O ATOM 0 H SER A 67 -7.133 12.790 -2.030 1.00 0.00 H new ATOM 0 HA SER A 67 -9.015 14.851 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.974 15.237 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.968 14.774 -2.679 1.00 0.00 H new ATOM 0 HG SER A 67 -6.203 17.075 -2.505 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.483 13.358 -5.087 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.320 13.284 -6.531 1.00 0.00 C ATOM 1049 C PHE A 68 -8.519 12.587 -7.164 1.00 0.00 C ATOM 1050 O PHE A 68 -8.721 12.645 -8.379 1.00 0.00 O ATOM 1051 CB PHE A 68 -6.030 12.535 -6.869 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.592 12.677 -8.298 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -5.016 13.857 -8.744 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -5.753 11.633 -9.197 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -4.607 13.992 -10.056 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -5.346 11.764 -10.511 1.00 0.00 C ATOM 1057 CZ PHE A 68 -4.772 12.945 -10.940 1.00 0.00 C ATOM 0 H PHE A 68 -7.153 12.536 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.258 14.295 -6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.233 12.896 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.169 11.477 -6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.886 14.680 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.201 10.708 -8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.158 14.916 -10.390 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.476 10.944 -11.202 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.453 13.049 -11.966 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.335 11.962 -6.321 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.486 11.182 -6.780 1.00 0.00 C ATOM 1069 C ALA A 69 -11.587 12.073 -7.361 1.00 0.00 C ATOM 1070 O ALA A 69 -12.553 11.583 -7.945 1.00 0.00 O ATOM 1071 CB ALA A 69 -11.040 10.341 -5.639 1.00 0.00 C ATOM 0 H ALA A 69 -9.221 11.979 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.139 10.526 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.895 9.766 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.268 9.660 -5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.354 10.994 -4.825 1.00 0.00 H new ATOM 1077 N ALA A 70 -11.435 13.382 -7.203 1.00 0.00 N ATOM 1078 CA ALA A 70 -12.405 14.332 -7.734 1.00 0.00 C ATOM 1079 C ALA A 70 -12.384 14.339 -9.261 1.00 0.00 C ATOM 1080 O ALA A 70 -13.392 14.622 -9.908 1.00 0.00 O ATOM 1081 CB ALA A 70 -12.128 15.726 -7.192 1.00 0.00 C ATOM 0 H ALA A 70 -10.650 13.810 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.399 14.021 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.860 16.426 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.200 15.714 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.126 16.038 -7.486 1.00 0.00 H new ATOM 1087 N ALA A 71 -11.238 13.986 -9.834 1.00 0.00 N ATOM 1088 CA ALA A 71 -11.069 13.997 -11.284 1.00 0.00 C ATOM 1089 C ALA A 71 -11.550 12.689 -11.907 1.00 0.00 C ATOM 1090 O ALA A 71 -11.337 12.437 -13.094 1.00 0.00 O ATOM 1091 CB ALA A 71 -9.612 14.245 -11.638 1.00 0.00 C ATOM 0 H ALA A 71 -10.411 13.688 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.677 14.805 -11.690 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.497 14.251 -12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.298 15.208 -11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.994 13.454 -11.212 1.00 0.00 H new ATOM 1097 N LYS A 72 -12.211 11.864 -11.105 1.00 0.00 N ATOM 1098 CA LYS A 72 -12.723 10.585 -11.577 1.00 0.00 C ATOM 1099 C LYS A 72 -14.147 10.753 -12.116 1.00 0.00 C ATOM 1100 O LYS A 72 -14.679 9.872 -12.793 1.00 0.00 O ATOM 1101 CB LYS A 72 -12.712 9.562 -10.432 1.00 0.00 C ATOM 1102 CG LYS A 72 -12.823 8.111 -10.881 1.00 0.00 C ATOM 1103 CD LYS A 72 -11.560 7.654 -11.596 1.00 0.00 C ATOM 1104 CE LYS A 72 -11.613 6.174 -11.955 1.00 0.00 C ATOM 1105 NZ LYS A 72 -11.844 5.313 -10.763 1.00 0.00 N ATOM 0 H LYS A 72 -12.405 12.059 -10.123 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.083 10.224 -12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.791 9.683 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.537 9.784 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.004 7.473 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.680 7.998 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.423 8.243 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.695 7.842 -10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.408 6.007 -12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.678 5.885 -12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.590 4.330 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.256 5.648 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.847 5.358 -10.492 1.00 0.00 H new ATOM 1119 N LEU A 73 -14.755 11.894 -11.809 1.00 0.00 N ATOM 1120 CA LEU A 73 -16.135 12.161 -12.197 1.00 0.00 C ATOM 1121 C LEU A 73 -16.188 12.940 -13.506 1.00 0.00 C ATOM 1122 O LEU A 73 -15.184 13.501 -13.948 1.00 0.00 O ATOM 1123 CB LEU A 73 -16.854 12.944 -11.095 1.00 0.00 C ATOM 1124 CG LEU A 73 -16.946 12.230 -9.748 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -17.624 13.120 -8.720 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -17.699 10.913 -9.888 1.00 0.00 C ATOM 0 H LEU A 73 -14.311 12.652 -11.290 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.638 11.205 -12.342 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.339 13.894 -10.951 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -17.863 13.177 -11.435 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.934 12.013 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.681 12.596 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.048 14.037 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.630 13.367 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.753 10.420 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.707 11.107 -10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -17.176 10.268 -10.594 1.00 0.00 H new ATOM 1138 N GLU A 74 -17.370 12.986 -14.114 1.00 0.00 N ATOM 1139 CA GLU A 74 -17.562 13.673 -15.390 1.00 0.00 C ATOM 1140 C GLU A 74 -17.808 15.167 -15.188 1.00 0.00 C ATOM 1141 O GLU A 74 -18.089 15.890 -16.144 1.00 0.00 O ATOM 1142 CB GLU A 74 -18.755 13.071 -16.138 1.00 0.00 C ATOM 1143 CG GLU A 74 -20.064 13.169 -15.365 1.00 0.00 C ATOM 1144 CD GLU A 74 -21.280 13.005 -16.250 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -21.569 11.870 -16.674 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -21.962 14.015 -16.521 1.00 0.00 O ATOM 0 H GLU A 74 -18.215 12.553 -13.742 1.00 0.00 H new ATOM 0 HA GLU A 74 -16.650 13.543 -15.973 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.868 13.579 -17.096 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.547 12.023 -16.355 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.080 12.405 -14.588 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.113 14.135 -14.863 1.00 0.00 H new ATOM 1153 N HIS A 75 -17.703 15.628 -13.952 1.00 0.00 N ATOM 1154 CA HIS A 75 -18.053 17.005 -13.624 1.00 0.00 C ATOM 1155 C HIS A 75 -16.944 17.977 -14.020 1.00 0.00 C ATOM 1156 O HIS A 75 -15.872 17.986 -13.420 1.00 0.00 O ATOM 1157 CB HIS A 75 -18.362 17.142 -12.128 1.00 0.00 C ATOM 1158 CG HIS A 75 -18.899 18.489 -11.751 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -20.221 18.838 -11.907 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -18.282 19.577 -11.238 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -20.394 20.083 -11.509 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -19.234 20.556 -11.099 1.00 0.00 N ATOM 0 H HIS A 75 -17.379 15.073 -13.160 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.945 17.260 -14.197 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -19.085 16.378 -11.843 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.453 16.949 -11.558 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -17.235 19.660 -10.985 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -21.329 20.624 -11.517 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -19.071 21.496 -10.738 1.00 0.00 H new ATOM 1171 N HIS A 76 -17.213 18.784 -15.040 1.00 0.00 N ATOM 1172 CA HIS A 76 -16.316 19.867 -15.429 1.00 0.00 C ATOM 1173 C HIS A 76 -17.121 20.996 -16.072 1.00 0.00 C ATOM 1174 O HIS A 76 -17.619 20.868 -17.191 1.00 0.00 O ATOM 1175 CB HIS A 76 -15.187 19.373 -16.360 1.00 0.00 C ATOM 1176 CG HIS A 76 -15.635 18.792 -17.674 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -15.210 19.277 -18.899 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -16.451 17.748 -17.954 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -15.751 18.556 -19.866 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -16.506 17.627 -19.318 1.00 0.00 N ATOM 0 H HIS A 76 -18.051 18.708 -15.616 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.830 20.250 -14.532 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.516 20.208 -16.562 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.606 18.619 -15.829 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -16.964 17.126 -17.235 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.599 18.704 -20.925 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.046 16.928 -19.828 1.00 0.00 H new ATOM 1189 N HIS A 77 -17.275 22.089 -15.338 1.00 0.00 N ATOM 1190 CA HIS A 77 -18.116 23.198 -15.773 1.00 0.00 C ATOM 1191 C HIS A 77 -17.460 24.525 -15.423 1.00 0.00 C ATOM 1192 O HIS A 77 -16.995 24.717 -14.301 1.00 0.00 O ATOM 1193 CB HIS A 77 -19.494 23.097 -15.100 1.00 0.00 C ATOM 1194 CG HIS A 77 -20.496 24.130 -15.548 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -21.457 23.881 -16.505 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -20.707 25.406 -15.136 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -22.210 24.955 -16.662 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -21.780 25.894 -15.844 1.00 0.00 N ATOM 0 H HIS A 77 -16.826 22.233 -14.433 1.00 0.00 H new ATOM 0 HA HIS A 77 -18.241 23.146 -16.855 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -19.905 22.106 -15.293 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -19.363 23.183 -14.021 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -20.137 25.940 -14.390 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -23.040 25.048 -17.347 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -22.177 26.829 -15.751 1.00 0.00 H new ATOM 1207 N HIS A 78 -17.399 25.423 -16.394 1.00 0.00 N ATOM 1208 CA HIS A 78 -16.887 26.769 -16.178 1.00 0.00 C ATOM 1209 C HIS A 78 -17.881 27.794 -16.707 1.00 0.00 C ATOM 1210 O HIS A 78 -18.992 27.438 -17.100 1.00 0.00 O ATOM 1211 CB HIS A 78 -15.531 26.961 -16.871 1.00 0.00 C ATOM 1212 CG HIS A 78 -14.391 26.262 -16.196 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -13.462 26.918 -15.419 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -14.023 24.962 -16.198 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -12.575 26.053 -14.971 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -12.889 24.855 -15.429 1.00 0.00 N ATOM 0 H HIS A 78 -17.702 25.241 -17.351 1.00 0.00 H new ATOM 0 HA HIS A 78 -16.750 26.912 -15.106 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -15.606 26.602 -17.897 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -15.310 28.027 -16.922 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -14.527 24.155 -16.710 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -11.733 26.285 -14.336 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -12.375 23.994 -15.243 1.00 0.00 H new ATOM 1225 N HIS A 79 -17.481 29.067 -16.684 1.00 0.00 N ATOM 1226 CA HIS A 79 -18.280 30.169 -17.240 1.00 0.00 C ATOM 1227 C HIS A 79 -19.467 30.519 -16.351 1.00 0.00 C ATOM 1228 O HIS A 79 -20.241 31.423 -16.673 1.00 0.00 O ATOM 1229 CB HIS A 79 -18.763 29.860 -18.663 1.00 0.00 C ATOM 1230 CG HIS A 79 -17.732 30.124 -19.718 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -17.977 30.910 -20.822 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -16.448 29.710 -19.833 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -16.892 30.969 -21.569 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -15.947 30.249 -20.991 1.00 0.00 N ATOM 0 H HIS A 79 -16.594 29.367 -16.280 1.00 0.00 H new ATOM 0 HA HIS A 79 -17.619 31.035 -17.281 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -19.065 28.814 -18.716 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -19.649 30.459 -18.875 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -15.917 29.073 -19.141 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.793 31.514 -22.496 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.001 30.116 -21.347 1.00 0.00 H new ATOM 1243 N HIS A 80 -19.606 29.805 -15.243 1.00 0.00 N ATOM 1244 CA HIS A 80 -20.639 30.091 -14.260 1.00 0.00 C ATOM 1245 C HIS A 80 -20.496 29.143 -13.079 1.00 0.00 C ATOM 1246 O HIS A 80 -19.775 29.489 -12.122 1.00 0.00 O ATOM 1247 CB HIS A 80 -22.041 29.959 -14.866 1.00 0.00 C ATOM 1248 CG HIS A 80 -23.129 30.453 -13.965 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -23.914 29.619 -13.201 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -23.560 31.711 -13.709 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -24.780 30.339 -12.516 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -24.587 31.613 -12.806 1.00 0.00 N ATOM 1253 OXT HIS A 80 -21.085 28.045 -13.122 1.00 0.00 O ATOM 0 H HIS A 80 -19.008 29.015 -15.002 1.00 0.00 H new ATOM 0 HA HIS A 80 -20.514 31.121 -13.925 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -22.077 30.514 -15.804 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -22.227 28.912 -15.107 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -23.168 32.622 -14.137 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -25.522 29.952 -11.833 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -25.116 32.396 -12.421 1.00 0.00 H new TER 1262 HIS A 80