USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 849 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 95 SER OG : rot 180:sc= 0.0171 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.747 K(o=0.76,f=0.23) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0.0442 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.302 K(o=-0.26,f=0.41) USER MOD Set 3.1: A 1 GLN : amide:sc= 0.626 K(o=1.4,f=0.52) USER MOD Set 3.2: A 24 SER OG : rot -150:sc= 0.807 USER MOD Set 4.1: A 22 TYR OH : rot -64:sc= -0.339! USER MOD Set 4.2: A 80 HIS : no HD1:sc= 0.981 K(o=0.64,f=-7.3!) USER MOD Single : A 1 GLN N :NH3+ -130:sc= 0.117 (180deg=-0.19) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0.494 (180deg=0.481) USER MOD Single : A 19 ASN : amide:sc= -0.0579 K(o=-0.058,f=-3.9!) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0.559 (180deg=0.484) USER MOD Single : A 31 ASN : amide:sc= -3.54! K(o=-3.5!,f=-0.74) USER MOD Single : A 33 SER OG : rot 180:sc= -0.187 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 69:sc= 0.933 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.15) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0.635 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc=-0.00742 (180deg=-0.111) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00464 USER MOD Single : A 74 THR OG1 : rot -154:sc= -1.68! USER MOD Single : A 77 MET CE :methyl -166:sc= -0.336 (180deg=-0.373) USER MOD Single : A 78 SER OG : rot -28:sc= 0.0833 USER MOD Single : A 81 MET CE :methyl -173:sc= -2.8! (180deg=-3.17!) USER MOD Single : A 84 MET CE :methyl 165:sc= -1.92 (180deg=-2.92!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= -0.118 (180deg=-0.21) USER MOD Single : A 91 LYS NZ :NH3+ 178:sc= 0.627 (180deg=0.619) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.02) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= -0.0356 (180deg=-0.245) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -9.332 -2.058 11.757 1.00 0.00 N ATOM 2 CA GLN A 1 -7.989 -1.634 11.303 1.00 0.00 C ATOM 3 C GLN A 1 -7.116 -1.325 12.514 1.00 0.00 C ATOM 4 O GLN A 1 -7.385 -1.825 13.608 1.00 0.00 O ATOM 5 CB GLN A 1 -8.098 -0.403 10.393 1.00 0.00 C ATOM 6 CG GLN A 1 -8.910 -0.648 9.128 1.00 0.00 C ATOM 7 CD GLN A 1 -8.996 0.578 8.235 1.00 0.00 C ATOM 8 OE1 GLN A 1 -8.949 1.712 8.707 1.00 0.00 O ATOM 9 NE2 GLN A 1 -9.127 0.360 6.935 1.00 0.00 N ATOM 0 H1 GLN A 1 -9.596 -2.943 11.280 1.00 0.00 H new ATOM 0 H2 GLN A 1 -9.319 -2.210 12.786 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.026 -1.319 11.525 1.00 0.00 H new ATOM 0 HA GLN A 1 -7.532 -2.442 10.731 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -8.553 0.414 10.954 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -7.096 -0.078 10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -8.462 -1.469 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -9.917 -0.962 9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -9.162 -0.595 6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -9.192 1.147 6.290 1.00 0.00 H new ATOM 20 N GLU A 2 -6.065 -0.519 12.306 1.00 0.00 N ATOM 21 CA GLU A 2 -5.173 -0.074 13.384 1.00 0.00 C ATOM 22 C GLU A 2 -4.287 -1.215 13.890 1.00 0.00 C ATOM 23 O GLU A 2 -4.667 -2.389 13.850 1.00 0.00 O ATOM 24 CB GLU A 2 -5.982 0.534 14.538 1.00 0.00 C ATOM 25 CG GLU A 2 -5.522 1.924 14.946 1.00 0.00 C ATOM 26 CD GLU A 2 -4.181 1.923 15.650 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.141 1.811 14.969 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.159 2.035 16.891 1.00 0.00 O ATOM 0 H GLU A 2 -5.810 -0.158 11.387 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.518 0.695 12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.032 0.580 14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.918 -0.128 15.402 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.460 2.554 14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.270 2.370 15.602 1.00 0.00 H new ATOM 35 N ALA A 3 -3.098 -0.868 14.359 1.00 0.00 N ATOM 36 CA ALA A 3 -2.151 -1.862 14.842 1.00 0.00 C ATOM 37 C ALA A 3 -1.483 -1.415 16.138 1.00 0.00 C ATOM 38 O ALA A 3 -0.577 -2.082 16.640 1.00 0.00 O ATOM 39 CB ALA A 3 -1.104 -2.157 13.779 1.00 0.00 C ATOM 0 H ALA A 3 -2.766 0.095 14.415 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.707 -2.776 15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.403 -2.902 14.155 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.593 -2.539 12.883 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.564 -1.242 13.536 1.00 0.00 H new ATOM 45 N GLY A 4 -1.923 -0.288 16.675 1.00 0.00 N ATOM 46 CA GLY A 4 -1.385 0.184 17.934 1.00 0.00 C ATOM 47 C GLY A 4 -0.774 1.564 17.827 1.00 0.00 C ATOM 48 O GLY A 4 0.440 1.723 17.940 1.00 0.00 O ATOM 0 H GLY A 4 -2.641 0.308 16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.179 0.200 18.681 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.629 -0.517 18.287 1.00 0.00 H new ATOM 52 N GLY A 5 -1.615 2.560 17.585 1.00 0.00 N ATOM 53 CA GLY A 5 -1.155 3.932 17.535 1.00 0.00 C ATOM 54 C GLY A 5 -0.486 4.275 16.221 1.00 0.00 C ATOM 55 O GLY A 5 0.446 5.080 16.188 1.00 0.00 O ATOM 0 H GLY A 5 -2.615 2.440 17.421 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.001 4.601 17.693 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.454 4.106 18.351 1.00 0.00 H new ATOM 59 N ARG A 6 -0.959 3.652 15.142 1.00 0.00 N ATOM 60 CA ARG A 6 -0.410 3.875 13.802 1.00 0.00 C ATOM 61 C ARG A 6 1.110 3.685 13.763 1.00 0.00 C ATOM 62 O ARG A 6 1.855 4.638 13.517 1.00 0.00 O ATOM 63 CB ARG A 6 -0.756 5.280 13.287 1.00 0.00 C ATOM 64 CG ARG A 6 -2.159 5.426 12.711 1.00 0.00 C ATOM 65 CD ARG A 6 -3.231 5.467 13.786 1.00 0.00 C ATOM 66 NE ARG A 6 -4.537 5.817 13.221 1.00 0.00 N ATOM 67 CZ ARG A 6 -5.697 5.653 13.852 1.00 0.00 C ATOM 68 NH1 ARG A 6 -5.723 5.171 15.085 1.00 0.00 N ATOM 69 NH2 ARG A 6 -6.832 5.993 13.257 1.00 0.00 N ATOM 0 H ARG A 6 -1.728 2.983 15.170 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.869 3.128 13.154 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.640 5.990 14.106 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.033 5.558 12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.211 6.338 12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.359 4.594 12.036 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.293 4.496 14.278 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.956 6.194 14.550 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.558 6.213 12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.852 4.924 15.554 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.614 5.047 15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.817 6.381 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.720 5.866 13.742 1.00 0.00 H new ATOM 83 N PRO A 7 1.601 2.455 13.990 1.00 0.00 N ATOM 84 CA PRO A 7 3.027 2.154 13.909 1.00 0.00 C ATOM 85 C PRO A 7 3.446 1.884 12.474 1.00 0.00 C ATOM 86 O PRO A 7 4.152 0.912 12.191 1.00 0.00 O ATOM 87 CB PRO A 7 3.165 0.888 14.751 1.00 0.00 C ATOM 88 CG PRO A 7 1.849 0.195 14.618 1.00 0.00 C ATOM 89 CD PRO A 7 0.811 1.256 14.329 1.00 0.00 C ATOM 0 HA PRO A 7 3.654 2.976 14.255 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.980 0.261 14.391 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.383 1.127 15.792 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.881 -0.540 13.814 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.604 -0.344 15.533 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.160 0.962 13.505 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.171 1.432 15.193 1.00 0.00 H new ATOM 97 N GLY A 8 3.017 2.758 11.572 1.00 0.00 N ATOM 98 CA GLY A 8 3.154 2.489 10.165 1.00 0.00 C ATOM 99 C GLY A 8 4.584 2.461 9.695 1.00 0.00 C ATOM 100 O GLY A 8 4.952 1.600 8.904 1.00 0.00 O ATOM 0 H GLY A 8 2.576 3.650 11.797 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.687 1.530 9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.610 3.249 9.603 1.00 0.00 H new ATOM 104 N ALA A 9 5.390 3.393 10.192 1.00 0.00 N ATOM 105 CA ALA A 9 6.751 3.563 9.709 1.00 0.00 C ATOM 106 C ALA A 9 7.456 4.688 10.453 1.00 0.00 C ATOM 107 O ALA A 9 8.188 4.463 11.418 1.00 0.00 O ATOM 108 CB ALA A 9 6.736 3.883 8.223 1.00 0.00 C ATOM 0 H ALA A 9 5.121 4.043 10.931 1.00 0.00 H new ATOM 0 HA ALA A 9 7.290 2.632 9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.759 4.009 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.261 3.066 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.177 4.804 8.055 1.00 0.00 H new ATOM 114 N ASP A 10 7.199 5.902 9.990 1.00 0.00 N ATOM 115 CA ASP A 10 7.801 7.108 10.537 1.00 0.00 C ATOM 116 C ASP A 10 7.024 8.309 10.033 1.00 0.00 C ATOM 117 O ASP A 10 6.272 8.932 10.780 1.00 0.00 O ATOM 118 CB ASP A 10 9.273 7.217 10.120 1.00 0.00 C ATOM 119 CG ASP A 10 9.902 8.535 10.526 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.264 8.688 11.708 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.047 9.420 9.659 1.00 0.00 O ATOM 0 H ASP A 10 6.560 6.079 9.215 1.00 0.00 H new ATOM 0 HA ASP A 10 7.764 7.070 11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.835 6.398 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.349 7.101 9.039 1.00 0.00 H new ATOM 126 N CYS A 11 7.178 8.589 8.747 1.00 0.00 N ATOM 127 CA CYS A 11 6.434 9.647 8.083 1.00 0.00 C ATOM 128 C CYS A 11 4.956 9.281 7.990 1.00 0.00 C ATOM 129 O CYS A 11 4.613 8.193 7.530 1.00 0.00 O ATOM 130 CB CYS A 11 7.016 9.884 6.694 1.00 0.00 C ATOM 131 SG CYS A 11 7.273 8.354 5.728 1.00 0.00 S ATOM 0 H CYS A 11 7.823 8.088 8.135 1.00 0.00 H new ATOM 0 HA CYS A 11 6.519 10.565 8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.350 10.545 6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.969 10.403 6.794 1.00 0.00 H new ATOM 136 N GLU A 12 4.102 10.202 8.428 1.00 0.00 N ATOM 137 CA GLU A 12 2.668 9.954 8.598 1.00 0.00 C ATOM 138 C GLU A 12 2.015 9.285 7.392 1.00 0.00 C ATOM 139 O GLU A 12 1.758 8.096 7.427 1.00 0.00 O ATOM 140 CB GLU A 12 1.928 11.265 8.900 1.00 0.00 C ATOM 141 CG GLU A 12 2.185 11.839 10.287 1.00 0.00 C ATOM 142 CD GLU A 12 3.608 12.323 10.486 1.00 0.00 C ATOM 143 OE1 GLU A 12 4.292 12.610 9.481 1.00 0.00 O ATOM 144 OE2 GLU A 12 4.046 12.414 11.650 1.00 0.00 O ATOM 0 H GLU A 12 4.385 11.150 8.678 1.00 0.00 H new ATOM 0 HA GLU A 12 2.587 9.263 9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.216 12.008 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.857 11.096 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.500 12.668 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.961 11.078 11.034 1.00 0.00 H new ATOM 151 N VAL A 13 1.754 10.042 6.331 1.00 0.00 N ATOM 152 CA VAL A 13 0.906 9.554 5.236 1.00 0.00 C ATOM 153 C VAL A 13 1.359 8.188 4.708 1.00 0.00 C ATOM 154 O VAL A 13 0.534 7.304 4.473 1.00 0.00 O ATOM 155 CB VAL A 13 0.828 10.567 4.077 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.073 10.054 2.962 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.320 11.901 4.591 1.00 0.00 C ATOM 0 H VAL A 13 2.111 10.988 6.201 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.091 9.435 5.661 1.00 0.00 H new ATOM 0 HB VAL A 13 1.829 10.698 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.110 10.788 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.323 9.114 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.078 9.892 3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.267 12.612 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.673 11.771 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.000 12.280 5.354 1.00 0.00 H new ATOM 167 N CYS A 14 2.668 8.013 4.553 1.00 0.00 N ATOM 168 CA CYS A 14 3.220 6.736 4.106 1.00 0.00 C ATOM 169 C CYS A 14 2.930 5.644 5.136 1.00 0.00 C ATOM 170 O CYS A 14 2.459 4.556 4.795 1.00 0.00 O ATOM 171 CB CYS A 14 4.733 6.861 3.881 1.00 0.00 C ATOM 172 SG CYS A 14 5.528 5.367 3.193 1.00 0.00 S ATOM 0 H CYS A 14 3.365 8.736 4.729 1.00 0.00 H new ATOM 0 HA CYS A 14 2.746 6.463 3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.919 7.698 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.209 7.105 4.831 1.00 0.00 H new ATOM 177 N LYS A 15 3.172 5.962 6.406 1.00 0.00 N ATOM 178 CA LYS A 15 3.006 4.999 7.484 1.00 0.00 C ATOM 179 C LYS A 15 1.527 4.673 7.685 1.00 0.00 C ATOM 180 O LYS A 15 1.167 3.531 7.975 1.00 0.00 O ATOM 181 CB LYS A 15 3.619 5.545 8.790 1.00 0.00 C ATOM 182 CG LYS A 15 2.679 6.417 9.617 1.00 0.00 C ATOM 183 CD LYS A 15 3.411 7.272 10.640 1.00 0.00 C ATOM 184 CE LYS A 15 4.123 6.440 11.690 1.00 0.00 C ATOM 185 NZ LYS A 15 4.725 7.299 12.745 1.00 0.00 N ATOM 0 H LYS A 15 3.485 6.884 6.711 1.00 0.00 H new ATOM 0 HA LYS A 15 3.528 4.081 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.946 4.704 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.509 6.125 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.111 7.065 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.959 5.780 10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.137 7.904 10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.699 7.937 11.129 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.418 5.743 12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.902 5.842 11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.276 6.709 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.351 8.003 12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.970 7.786 13.268 1.00 0.00 H new ATOM 199 N GLU A 16 0.683 5.687 7.516 1.00 0.00 N ATOM 200 CA GLU A 16 -0.749 5.536 7.695 1.00 0.00 C ATOM 201 C GLU A 16 -1.294 4.534 6.702 1.00 0.00 C ATOM 202 O GLU A 16 -1.977 3.588 7.080 1.00 0.00 O ATOM 203 CB GLU A 16 -1.468 6.875 7.508 1.00 0.00 C ATOM 204 CG GLU A 16 -1.012 7.969 8.458 1.00 0.00 C ATOM 205 CD GLU A 16 -1.286 7.650 9.909 1.00 0.00 C ATOM 206 OE1 GLU A 16 -0.426 7.026 10.559 1.00 0.00 O ATOM 207 OE2 GLU A 16 -2.358 8.045 10.413 1.00 0.00 O ATOM 0 H GLU A 16 0.974 6.628 7.253 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.926 5.180 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.318 7.214 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.539 6.720 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.057 8.134 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.514 8.901 8.197 1.00 0.00 H new ATOM 214 N PHE A 17 -0.971 4.734 5.432 1.00 0.00 N ATOM 215 CA PHE A 17 -1.497 3.883 4.384 1.00 0.00 C ATOM 216 C PHE A 17 -0.991 2.453 4.525 1.00 0.00 C ATOM 217 O PHE A 17 -1.789 1.521 4.594 1.00 0.00 O ATOM 218 CB PHE A 17 -1.142 4.423 2.998 1.00 0.00 C ATOM 219 CG PHE A 17 -1.727 3.592 1.894 1.00 0.00 C ATOM 220 CD1 PHE A 17 -3.031 3.799 1.475 1.00 0.00 C ATOM 221 CD2 PHE A 17 -0.985 2.588 1.294 1.00 0.00 C ATOM 222 CE1 PHE A 17 -3.581 3.023 0.476 1.00 0.00 C ATOM 223 CE2 PHE A 17 -1.531 1.806 0.299 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.831 2.023 -0.111 1.00 0.00 C ATOM 0 H PHE A 17 -0.350 5.475 5.107 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.582 3.881 4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.501 5.448 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.058 4.455 2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.623 4.576 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.033 2.416 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.597 3.197 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.943 1.025 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.261 1.411 -0.890 1.00 0.00 H new ATOM 234 N LEU A 18 0.329 2.283 4.585 1.00 0.00 N ATOM 235 CA LEU A 18 0.925 0.954 4.592 1.00 0.00 C ATOM 236 C LEU A 18 0.414 0.119 5.758 1.00 0.00 C ATOM 237 O LEU A 18 -0.085 -0.984 5.557 1.00 0.00 O ATOM 238 CB LEU A 18 2.454 1.041 4.650 1.00 0.00 C ATOM 239 CG LEU A 18 3.140 1.600 3.399 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.646 1.619 3.591 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.788 0.775 2.173 1.00 0.00 C ATOM 0 H LEU A 18 1.002 3.048 4.629 1.00 0.00 H new ATOM 0 HA LEU A 18 0.631 0.465 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.731 1.663 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.848 0.043 4.842 1.00 0.00 H new ATOM 0 HG LEU A 18 2.784 2.619 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.122 2.018 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.896 2.248 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.003 0.605 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.287 1.192 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.115 -0.254 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.709 0.795 2.019 1.00 0.00 H new ATOM 253 N ASN A 19 0.512 0.656 6.967 1.00 0.00 N ATOM 254 CA ASN A 19 0.143 -0.092 8.164 1.00 0.00 C ATOM 255 C ASN A 19 -1.358 -0.334 8.224 1.00 0.00 C ATOM 256 O ASN A 19 -1.812 -1.393 8.661 1.00 0.00 O ATOM 257 CB ASN A 19 0.600 0.651 9.419 1.00 0.00 C ATOM 258 CG ASN A 19 0.378 -0.149 10.689 1.00 0.00 C ATOM 259 OD1 ASN A 19 -0.661 -0.034 11.340 1.00 0.00 O ATOM 260 ND2 ASN A 19 1.363 -0.956 11.053 1.00 0.00 N ATOM 0 H ASN A 19 0.843 1.604 7.146 1.00 0.00 H new ATOM 0 HA ASN A 19 0.643 -1.059 8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.659 0.892 9.327 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.063 1.597 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.278 -1.513 11.903 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.207 -1.020 10.483 1.00 0.00 H new ATOM 267 N ARG A 20 -2.130 0.641 7.769 1.00 0.00 N ATOM 268 CA ARG A 20 -3.577 0.530 7.817 1.00 0.00 C ATOM 269 C ARG A 20 -4.066 -0.447 6.764 1.00 0.00 C ATOM 270 O ARG A 20 -4.982 -1.221 7.017 1.00 0.00 O ATOM 271 CB ARG A 20 -4.222 1.898 7.623 1.00 0.00 C ATOM 272 CG ARG A 20 -5.641 1.994 8.145 1.00 0.00 C ATOM 273 CD ARG A 20 -6.139 3.428 8.093 1.00 0.00 C ATOM 274 NE ARG A 20 -5.212 4.349 8.748 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.519 5.602 9.075 1.00 0.00 C ATOM 276 NH1 ARG A 20 -6.737 6.072 8.842 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.608 6.387 9.637 1.00 0.00 N ATOM 0 H ARG A 20 -1.781 1.511 7.366 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.865 0.151 8.798 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.611 2.650 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.220 2.141 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.295 1.355 7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.682 1.627 9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.276 3.728 7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.115 3.491 8.574 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.275 4.012 8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.441 5.473 8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.970 7.033 9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.670 6.030 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.846 7.347 9.887 1.00 0.00 H new ATOM 291 N PHE A 21 -3.448 -0.413 5.590 1.00 0.00 N ATOM 292 CA PHE A 21 -3.724 -1.394 4.550 1.00 0.00 C ATOM 293 C PHE A 21 -3.356 -2.776 5.056 1.00 0.00 C ATOM 294 O PHE A 21 -4.137 -3.723 4.970 1.00 0.00 O ATOM 295 CB PHE A 21 -2.906 -1.078 3.296 1.00 0.00 C ATOM 296 CG PHE A 21 -3.073 -2.092 2.201 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.235 -2.146 1.448 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.067 -3.004 1.937 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.386 -3.093 0.452 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.212 -3.953 0.949 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.372 -3.999 0.204 1.00 0.00 C ATOM 0 H PHE A 21 -2.750 0.286 5.335 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.784 -1.360 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.197 -0.097 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.852 -1.016 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.030 -1.441 1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.155 -2.972 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.294 -3.125 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.418 -4.660 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.488 -4.742 -0.572 1.00 0.00 H new ATOM 311 N TYR A 22 -2.151 -2.845 5.595 1.00 0.00 N ATOM 312 CA TYR A 22 -1.591 -4.052 6.175 1.00 0.00 C ATOM 313 C TYR A 22 -2.578 -4.706 7.140 1.00 0.00 C ATOM 314 O TYR A 22 -2.828 -5.908 7.073 1.00 0.00 O ATOM 315 CB TYR A 22 -0.296 -3.649 6.886 1.00 0.00 C ATOM 316 CG TYR A 22 0.515 -4.770 7.493 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.203 -5.289 8.741 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.620 -5.285 6.825 1.00 0.00 C ATOM 319 CE1 TYR A 22 0.963 -6.291 9.304 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.390 -6.286 7.386 1.00 0.00 C ATOM 321 CZ TYR A 22 2.055 -6.785 8.626 1.00 0.00 C ATOM 322 OH TYR A 22 2.819 -7.780 9.196 1.00 0.00 O ATOM 0 H TYR A 22 -1.521 -2.044 5.642 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.384 -4.792 5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.335 -3.119 6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.546 -2.942 7.677 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.649 -4.902 9.280 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.881 -4.896 5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.703 -6.688 10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.248 -6.674 6.857 1.00 0.00 H new ATOM 0 HH TYR A 22 3.237 -7.442 10.015 1.00 0.00 H new ATOM 332 N LYS A 23 -3.148 -3.903 8.025 1.00 0.00 N ATOM 333 CA LYS A 23 -4.114 -4.398 8.988 1.00 0.00 C ATOM 334 C LYS A 23 -5.492 -4.621 8.378 1.00 0.00 C ATOM 335 O LYS A 23 -6.103 -5.668 8.590 1.00 0.00 O ATOM 336 CB LYS A 23 -4.216 -3.455 10.165 1.00 0.00 C ATOM 337 CG LYS A 23 -3.407 -3.911 11.358 1.00 0.00 C ATOM 338 CD LYS A 23 -3.609 -5.395 11.601 1.00 0.00 C ATOM 339 CE LYS A 23 -3.262 -5.781 13.028 1.00 0.00 C ATOM 340 NZ LYS A 23 -4.130 -5.086 14.016 1.00 0.00 N ATOM 0 H LYS A 23 -2.956 -2.904 8.095 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.751 -5.368 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.878 -2.465 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.262 -3.359 10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.350 -3.705 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.704 -3.348 12.243 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.646 -5.660 11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.990 -5.965 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.366 -6.859 13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.218 -5.537 13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.896 -5.414 14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.974 -4.060 13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.127 -5.298 13.811 1.00 0.00 H new ATOM 354 N SER A 24 -5.969 -3.640 7.619 1.00 0.00 N ATOM 355 CA SER A 24 -7.307 -3.687 7.034 1.00 0.00 C ATOM 356 C SER A 24 -7.469 -4.922 6.163 1.00 0.00 C ATOM 357 O SER A 24 -8.562 -5.466 6.031 1.00 0.00 O ATOM 358 CB SER A 24 -7.557 -2.426 6.200 1.00 0.00 C ATOM 359 OG SER A 24 -8.924 -2.292 5.852 1.00 0.00 O ATOM 0 H SER A 24 -5.444 -2.795 7.392 1.00 0.00 H new ATOM 0 HA SER A 24 -8.036 -3.735 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.236 -1.548 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.952 -2.463 5.294 1.00 0.00 H new ATOM 0 HG SER A 24 -8.999 -1.822 4.995 1.00 0.00 H new ATOM 365 N LEU A 25 -6.367 -5.375 5.597 1.00 0.00 N ATOM 366 CA LEU A 25 -6.384 -6.533 4.730 1.00 0.00 C ATOM 367 C LEU A 25 -6.607 -7.789 5.565 1.00 0.00 C ATOM 368 O LEU A 25 -7.406 -8.655 5.211 1.00 0.00 O ATOM 369 CB LEU A 25 -5.075 -6.610 3.946 1.00 0.00 C ATOM 370 CG LEU A 25 -5.237 -6.904 2.454 1.00 0.00 C ATOM 371 CD1 LEU A 25 -6.166 -5.889 1.801 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.881 -6.915 1.766 1.00 0.00 C ATOM 0 H LEU A 25 -5.446 -4.955 5.724 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.201 -6.450 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.543 -5.665 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.448 -7.384 4.388 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.686 -7.891 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.267 -6.118 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.146 -5.934 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.751 -4.888 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.013 -7.126 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.404 -5.942 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.252 -7.685 2.213 1.00 0.00 H new ATOM 384 N ILE A 26 -5.942 -7.845 6.712 1.00 0.00 N ATOM 385 CA ILE A 26 -6.071 -8.973 7.622 1.00 0.00 C ATOM 386 C ILE A 26 -7.466 -8.982 8.231 1.00 0.00 C ATOM 387 O ILE A 26 -8.066 -10.036 8.450 1.00 0.00 O ATOM 388 CB ILE A 26 -5.025 -8.902 8.757 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.619 -8.736 8.181 1.00 0.00 C ATOM 390 CG2 ILE A 26 -5.094 -10.142 9.635 1.00 0.00 C ATOM 391 CD1 ILE A 26 -3.191 -9.875 7.284 1.00 0.00 C ATOM 0 H ILE A 26 -5.304 -7.117 7.034 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.902 -9.886 7.052 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.253 -8.033 9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.575 -7.805 7.617 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.908 -8.645 9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.348 -10.069 10.427 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.087 -10.220 10.078 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.896 -11.027 9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.183 -9.687 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.202 -10.807 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.879 -9.953 6.442 1.00 0.00 H new ATOM 403 N ASP A 27 -7.971 -7.784 8.494 1.00 0.00 N ATOM 404 CA ASP A 27 -9.314 -7.603 9.026 1.00 0.00 C ATOM 405 C ASP A 27 -10.353 -8.082 8.019 1.00 0.00 C ATOM 406 O ASP A 27 -11.287 -8.804 8.368 1.00 0.00 O ATOM 407 CB ASP A 27 -9.542 -6.126 9.362 1.00 0.00 C ATOM 408 CG ASP A 27 -10.924 -5.850 9.916 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.112 -5.991 11.143 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.818 -5.463 9.131 1.00 0.00 O ATOM 0 H ASP A 27 -7.462 -6.913 8.345 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.418 -8.195 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.795 -5.805 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.391 -5.528 8.464 1.00 0.00 H new ATOM 415 N ARG A 28 -10.167 -7.689 6.764 1.00 0.00 N ATOM 416 CA ARG A 28 -11.070 -8.083 5.688 1.00 0.00 C ATOM 417 C ARG A 28 -10.934 -9.571 5.362 1.00 0.00 C ATOM 418 O ARG A 28 -11.874 -10.195 4.867 1.00 0.00 O ATOM 419 CB ARG A 28 -10.811 -7.227 4.444 1.00 0.00 C ATOM 420 CG ARG A 28 -11.347 -5.809 4.566 1.00 0.00 C ATOM 421 CD ARG A 28 -10.789 -4.891 3.489 1.00 0.00 C ATOM 422 NE ARG A 28 -11.148 -5.312 2.132 1.00 0.00 N ATOM 423 CZ ARG A 28 -11.533 -4.471 1.172 1.00 0.00 C ATOM 424 NH1 ARG A 28 -11.742 -3.187 1.444 1.00 0.00 N ATOM 425 NH2 ARG A 28 -11.735 -4.918 -0.059 1.00 0.00 N ATOM 0 H ARG A 28 -9.394 -7.094 6.465 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.093 -7.915 6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.738 -7.187 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.269 -7.708 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.435 -5.826 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.094 -5.410 5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.155 -3.878 3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.703 -4.856 3.577 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.101 -6.306 1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.608 -2.838 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.036 -2.550 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.596 -5.906 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.030 -4.274 -0.793 1.00 0.00 H new ATOM 439 N GLY A 29 -9.765 -10.134 5.640 1.00 0.00 N ATOM 440 CA GLY A 29 -9.564 -11.559 5.463 1.00 0.00 C ATOM 441 C GLY A 29 -8.868 -11.863 4.160 1.00 0.00 C ATOM 442 O GLY A 29 -8.968 -12.963 3.622 1.00 0.00 O ATOM 0 H GLY A 29 -8.950 -9.627 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.973 -11.950 6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.527 -12.069 5.490 1.00 0.00 H new ATOM 446 N VAL A 30 -8.164 -10.867 3.666 1.00 0.00 N ATOM 447 CA VAL A 30 -7.451 -10.953 2.409 1.00 0.00 C ATOM 448 C VAL A 30 -5.993 -10.591 2.632 1.00 0.00 C ATOM 449 O VAL A 30 -5.706 -9.555 3.216 1.00 0.00 O ATOM 450 CB VAL A 30 -8.082 -9.997 1.360 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.877 -8.893 2.039 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.020 -9.374 0.469 1.00 0.00 C ATOM 0 H VAL A 30 -8.069 -9.964 4.131 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.519 -11.973 2.030 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.752 -10.596 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.308 -8.237 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.676 -9.334 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.217 -8.315 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.495 -8.711 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.321 -8.804 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.481 -10.161 -0.060 1.00 0.00 H new ATOM 462 N ASN A 31 -5.073 -11.450 2.215 1.00 0.00 N ATOM 463 CA ASN A 31 -3.662 -11.113 2.304 1.00 0.00 C ATOM 464 C ASN A 31 -2.755 -12.133 1.656 1.00 0.00 C ATOM 465 O ASN A 31 -1.831 -11.783 0.931 1.00 0.00 O ATOM 466 CB ASN A 31 -3.274 -10.955 3.754 1.00 0.00 C ATOM 467 CG ASN A 31 -1.958 -10.225 3.920 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.228 -10.452 4.884 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.642 -9.352 2.969 1.00 0.00 N ATOM 0 H ASN A 31 -5.274 -12.368 1.819 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.530 -10.180 1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.058 -10.411 4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.202 -11.939 4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.763 -8.838 3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.279 -9.196 2.188 1.00 0.00 H new ATOM 476 N PHE A 32 -3.013 -13.381 1.918 1.00 0.00 N ATOM 477 CA PHE A 32 -2.127 -14.450 1.468 1.00 0.00 C ATOM 478 C PHE A 32 -2.352 -14.791 -0.006 1.00 0.00 C ATOM 479 O PHE A 32 -2.466 -15.957 -0.383 1.00 0.00 O ATOM 480 CB PHE A 32 -2.297 -15.685 2.348 1.00 0.00 C ATOM 481 CG PHE A 32 -1.854 -15.465 3.769 1.00 0.00 C ATOM 482 CD1 PHE A 32 -0.514 -15.544 4.107 1.00 0.00 C ATOM 483 CD2 PHE A 32 -2.775 -15.172 4.762 1.00 0.00 C ATOM 484 CE1 PHE A 32 -0.100 -15.337 5.408 1.00 0.00 C ATOM 485 CE2 PHE A 32 -2.367 -14.964 6.065 1.00 0.00 C ATOM 486 CZ PHE A 32 -1.027 -15.047 6.388 1.00 0.00 C ATOM 0 H PHE A 32 -3.829 -13.699 2.442 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.101 -14.095 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.345 -15.985 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.727 -16.510 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.216 -15.770 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.824 -15.106 4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.949 -15.402 5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.095 -14.737 6.830 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.705 -14.885 7.406 1.00 0.00 H new ATOM 496 N SER A 33 -2.409 -13.752 -0.826 1.00 0.00 N ATOM 497 CA SER A 33 -2.554 -13.881 -2.266 1.00 0.00 C ATOM 498 C SER A 33 -2.043 -12.604 -2.929 1.00 0.00 C ATOM 499 O SER A 33 -2.663 -11.547 -2.816 1.00 0.00 O ATOM 500 CB SER A 33 -4.022 -14.109 -2.643 1.00 0.00 C ATOM 501 OG SER A 33 -4.574 -15.217 -1.951 1.00 0.00 O ATOM 0 H SER A 33 -2.355 -12.785 -0.505 1.00 0.00 H new ATOM 0 HA SER A 33 -1.976 -14.739 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.600 -13.213 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.101 -14.275 -3.717 1.00 0.00 H new ATOM 0 HG SER A 33 -5.511 -15.333 -2.214 1.00 0.00 H new ATOM 507 N LEU A 34 -0.903 -12.711 -3.607 1.00 0.00 N ATOM 508 CA LEU A 34 -0.249 -11.558 -4.230 1.00 0.00 C ATOM 509 C LEU A 34 -1.161 -10.856 -5.229 1.00 0.00 C ATOM 510 O LEU A 34 -1.205 -9.627 -5.278 1.00 0.00 O ATOM 511 CB LEU A 34 1.051 -11.977 -4.923 1.00 0.00 C ATOM 512 CG LEU A 34 2.300 -11.971 -4.038 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.485 -10.606 -3.405 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.226 -13.045 -2.967 1.00 0.00 C ATOM 0 H LEU A 34 -0.407 -13.592 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.019 -10.854 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.919 -12.980 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.223 -11.311 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 34 3.161 -12.190 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.376 -10.614 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.598 -9.855 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.614 -10.367 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.128 -13.013 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.355 -12.870 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.142 -14.024 -3.439 1.00 0.00 H new ATOM 526 N ASP A 35 -1.883 -11.640 -6.019 1.00 0.00 N ATOM 527 CA ASP A 35 -2.845 -11.097 -6.974 1.00 0.00 C ATOM 528 C ASP A 35 -3.900 -10.273 -6.248 1.00 0.00 C ATOM 529 O ASP A 35 -4.272 -9.181 -6.681 1.00 0.00 O ATOM 530 CB ASP A 35 -3.511 -12.235 -7.754 1.00 0.00 C ATOM 531 CG ASP A 35 -4.649 -11.763 -8.638 1.00 0.00 C ATOM 532 OD1 ASP A 35 -5.804 -11.730 -8.165 1.00 0.00 O ATOM 533 OD2 ASP A 35 -4.400 -11.444 -9.817 1.00 0.00 O ATOM 0 H ASP A 35 -1.821 -12.658 -6.018 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.317 -10.450 -7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.762 -12.732 -8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.889 -12.977 -7.051 1.00 0.00 H new ATOM 538 N THR A 36 -4.346 -10.797 -5.118 1.00 0.00 N ATOM 539 CA THR A 36 -5.383 -10.163 -4.327 1.00 0.00 C ATOM 540 C THR A 36 -4.875 -8.896 -3.653 1.00 0.00 C ATOM 541 O THR A 36 -5.565 -7.879 -3.647 1.00 0.00 O ATOM 542 CB THR A 36 -5.921 -11.146 -3.265 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.278 -12.387 -3.887 1.00 0.00 O ATOM 544 CG2 THR A 36 -7.125 -10.579 -2.537 1.00 0.00 C ATOM 0 H THR A 36 -3.999 -11.672 -4.726 1.00 0.00 H new ATOM 0 HA THR A 36 -6.192 -9.884 -5.003 1.00 0.00 H new ATOM 0 HB THR A 36 -5.130 -11.311 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.617 -13.007 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.476 -11.299 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.844 -9.652 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.922 -10.377 -3.253 1.00 0.00 H new ATOM 552 N ILE A 37 -3.667 -8.949 -3.107 1.00 0.00 N ATOM 553 CA ILE A 37 -3.067 -7.775 -2.497 1.00 0.00 C ATOM 554 C ILE A 37 -2.986 -6.654 -3.521 1.00 0.00 C ATOM 555 O ILE A 37 -3.215 -5.491 -3.203 1.00 0.00 O ATOM 556 CB ILE A 37 -1.654 -8.068 -1.953 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.694 -9.236 -0.971 1.00 0.00 C ATOM 558 CG2 ILE A 37 -1.076 -6.831 -1.278 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.326 -9.681 -0.507 1.00 0.00 C ATOM 0 H ILE A 37 -3.088 -9.788 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.697 -7.480 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.011 -8.339 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.288 -8.950 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.201 -10.078 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.079 -7.055 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.016 -6.017 -2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.720 -6.534 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.431 -10.514 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.264 -9.998 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.176 -8.852 -0.008 1.00 0.00 H new ATOM 571 N GLU A 38 -2.696 -7.026 -4.760 1.00 0.00 N ATOM 572 CA GLU A 38 -2.559 -6.056 -5.827 1.00 0.00 C ATOM 573 C GLU A 38 -3.913 -5.464 -6.208 1.00 0.00 C ATOM 574 O GLU A 38 -4.058 -4.245 -6.322 1.00 0.00 O ATOM 575 CB GLU A 38 -1.887 -6.694 -7.042 1.00 0.00 C ATOM 576 CG GLU A 38 -1.426 -5.689 -8.082 1.00 0.00 C ATOM 577 CD GLU A 38 -0.833 -6.354 -9.303 1.00 0.00 C ATOM 578 OE1 GLU A 38 0.324 -6.829 -9.231 1.00 0.00 O ATOM 579 OE2 GLU A 38 -1.519 -6.408 -10.345 1.00 0.00 O ATOM 0 H GLU A 38 -2.552 -7.994 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.928 -5.242 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.029 -7.277 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.584 -7.391 -7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.270 -5.069 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.685 -5.024 -7.638 1.00 0.00 H new ATOM 586 N LYS A 39 -4.902 -6.329 -6.385 1.00 0.00 N ATOM 587 CA LYS A 39 -6.248 -5.899 -6.735 1.00 0.00 C ATOM 588 C LYS A 39 -6.825 -4.997 -5.647 1.00 0.00 C ATOM 589 O LYS A 39 -7.417 -3.960 -5.936 1.00 0.00 O ATOM 590 CB LYS A 39 -7.148 -7.123 -6.932 1.00 0.00 C ATOM 591 CG LYS A 39 -8.595 -6.802 -7.291 1.00 0.00 C ATOM 592 CD LYS A 39 -8.778 -6.461 -8.766 1.00 0.00 C ATOM 593 CE LYS A 39 -8.298 -5.058 -9.110 1.00 0.00 C ATOM 594 NZ LYS A 39 -8.577 -4.716 -10.530 1.00 0.00 N ATOM 0 H LYS A 39 -4.796 -7.339 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.202 -5.331 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.723 -7.746 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.138 -7.715 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.224 -7.656 -7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.937 -5.964 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.234 -7.185 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.832 -6.554 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.788 -4.335 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.227 -4.983 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.237 -3.754 -10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.089 -5.391 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.601 -4.764 -10.704 1.00 0.00 H new ATOM 608 N GLU A 40 -6.622 -5.388 -4.397 1.00 0.00 N ATOM 609 CA GLU A 40 -7.191 -4.667 -3.268 1.00 0.00 C ATOM 610 C GLU A 40 -6.392 -3.412 -2.948 1.00 0.00 C ATOM 611 O GLU A 40 -6.939 -2.453 -2.410 1.00 0.00 O ATOM 612 CB GLU A 40 -7.297 -5.575 -2.043 1.00 0.00 C ATOM 613 CG GLU A 40 -8.225 -6.763 -2.257 1.00 0.00 C ATOM 614 CD GLU A 40 -9.670 -6.360 -2.507 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.940 -5.620 -3.484 1.00 0.00 O ATOM 616 OE2 GLU A 40 -10.551 -6.801 -1.740 1.00 0.00 O ATOM 0 H GLU A 40 -6.066 -6.203 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.196 -4.353 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.304 -5.940 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.655 -4.991 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.866 -7.347 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.182 -7.411 -1.382 1.00 0.00 H new ATOM 623 N LEU A 41 -5.101 -3.412 -3.275 1.00 0.00 N ATOM 624 CA LEU A 41 -4.314 -2.186 -3.204 1.00 0.00 C ATOM 625 C LEU A 41 -4.933 -1.147 -4.117 1.00 0.00 C ATOM 626 O LEU A 41 -5.183 -0.017 -3.712 1.00 0.00 O ATOM 627 CB LEU A 41 -2.858 -2.431 -3.608 1.00 0.00 C ATOM 628 CG LEU A 41 -1.877 -2.599 -2.447 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.508 -3.005 -2.962 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.776 -1.308 -1.647 1.00 0.00 C ATOM 0 H LEU A 41 -4.585 -4.235 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.318 -1.831 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.816 -3.325 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.525 -1.597 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.250 -3.387 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.177 -3.120 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.587 -3.951 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.130 -2.236 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.074 -1.444 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.425 -0.505 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.757 -1.049 -1.248 1.00 0.00 H new ATOM 642 N ILE A 42 -5.211 -1.564 -5.344 1.00 0.00 N ATOM 643 CA ILE A 42 -5.885 -0.718 -6.313 1.00 0.00 C ATOM 644 C ILE A 42 -7.239 -0.249 -5.772 1.00 0.00 C ATOM 645 O ILE A 42 -7.566 0.940 -5.827 1.00 0.00 O ATOM 646 CB ILE A 42 -6.085 -1.475 -7.645 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.730 -1.737 -8.312 1.00 0.00 C ATOM 648 CG2 ILE A 42 -7.007 -0.707 -8.578 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.822 -2.565 -9.577 1.00 0.00 C ATOM 0 H ILE A 42 -4.976 -2.493 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.259 0.156 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.558 -2.433 -7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.260 -0.782 -8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.078 -2.246 -7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.130 -1.263 -9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.979 -0.576 -8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.574 0.270 -8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.824 -2.708 -9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.262 -3.535 -9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.447 -2.048 -10.306 1.00 0.00 H new ATOM 661 N SER A 43 -8.008 -1.190 -5.229 1.00 0.00 N ATOM 662 CA SER A 43 -9.318 -0.887 -4.658 1.00 0.00 C ATOM 663 C SER A 43 -9.205 0.118 -3.511 1.00 0.00 C ATOM 664 O SER A 43 -9.943 1.102 -3.456 1.00 0.00 O ATOM 665 CB SER A 43 -9.975 -2.171 -4.144 1.00 0.00 C ATOM 666 OG SER A 43 -9.981 -3.183 -5.138 1.00 0.00 O ATOM 0 H SER A 43 -7.745 -2.174 -5.172 1.00 0.00 H new ATOM 0 HA SER A 43 -9.931 -0.447 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.441 -2.527 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.998 -1.959 -3.833 1.00 0.00 H new ATOM 0 HG SER A 43 -9.064 -3.491 -5.297 1.00 0.00 H new ATOM 672 N PHE A 44 -8.265 -0.133 -2.610 1.00 0.00 N ATOM 673 CA PHE A 44 -8.102 0.669 -1.405 1.00 0.00 C ATOM 674 C PHE A 44 -7.548 2.047 -1.752 1.00 0.00 C ATOM 675 O PHE A 44 -7.957 3.055 -1.178 1.00 0.00 O ATOM 676 CB PHE A 44 -7.166 -0.054 -0.429 1.00 0.00 C ATOM 677 CG PHE A 44 -7.238 0.437 0.991 1.00 0.00 C ATOM 678 CD1 PHE A 44 -8.157 -0.106 1.877 1.00 0.00 C ATOM 679 CD2 PHE A 44 -6.383 1.427 1.445 1.00 0.00 C ATOM 680 CE1 PHE A 44 -8.220 0.331 3.186 1.00 0.00 C ATOM 681 CE2 PHE A 44 -6.442 1.868 2.753 1.00 0.00 C ATOM 682 CZ PHE A 44 -7.362 1.319 3.625 1.00 0.00 C ATOM 0 H PHE A 44 -7.595 -0.897 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.075 0.803 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.400 -1.118 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.141 0.052 -0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.831 -0.879 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.661 1.860 0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.940 -0.100 3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.769 2.641 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.410 1.662 4.648 1.00 0.00 H new ATOM 692 N CYS A 45 -6.631 2.081 -2.708 1.00 0.00 N ATOM 693 CA CYS A 45 -6.020 3.328 -3.153 1.00 0.00 C ATOM 694 C CYS A 45 -7.018 4.237 -3.844 1.00 0.00 C ATOM 695 O CYS A 45 -6.865 5.450 -3.840 1.00 0.00 O ATOM 696 CB CYS A 45 -4.858 3.035 -4.088 1.00 0.00 C ATOM 697 SG CYS A 45 -3.381 2.453 -3.218 1.00 0.00 S ATOM 0 H CYS A 45 -6.290 1.252 -3.195 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.658 3.848 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.165 2.283 -4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.612 3.938 -4.647 1.00 0.00 H new ATOM 702 N LEU A 46 -8.023 3.646 -4.459 1.00 0.00 N ATOM 703 CA LEU A 46 -9.083 4.416 -5.085 1.00 0.00 C ATOM 704 C LEU A 46 -10.168 4.766 -4.067 1.00 0.00 C ATOM 705 O LEU A 46 -10.941 5.705 -4.259 1.00 0.00 O ATOM 706 CB LEU A 46 -9.674 3.628 -6.254 1.00 0.00 C ATOM 707 CG LEU A 46 -10.739 4.359 -7.073 1.00 0.00 C ATOM 708 CD1 LEU A 46 -10.141 5.568 -7.772 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.370 3.416 -8.086 1.00 0.00 C ATOM 0 H LEU A 46 -8.129 2.635 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.665 5.348 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.862 3.340 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.109 2.707 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.516 4.707 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.915 6.074 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.735 6.254 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.343 5.244 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.126 3.952 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.601 3.039 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.836 2.580 -7.564 1.00 0.00 H new ATOM 721 N ASP A 47 -10.202 4.012 -2.977 1.00 0.00 N ATOM 722 CA ASP A 47 -11.238 4.169 -1.958 1.00 0.00 C ATOM 723 C ASP A 47 -10.845 5.221 -0.925 1.00 0.00 C ATOM 724 O ASP A 47 -11.703 5.825 -0.279 1.00 0.00 O ATOM 725 CB ASP A 47 -11.494 2.829 -1.267 1.00 0.00 C ATOM 726 CG ASP A 47 -12.674 2.874 -0.322 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.822 2.754 -0.799 1.00 0.00 O ATOM 728 OD2 ASP A 47 -12.462 3.007 0.901 1.00 0.00 O ATOM 0 H ASP A 47 -9.521 3.281 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.150 4.505 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.668 2.063 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.602 2.534 -0.714 1.00 0.00 H new ATOM 733 N THR A 48 -9.547 5.437 -0.780 1.00 0.00 N ATOM 734 CA THR A 48 -9.016 6.400 0.173 1.00 0.00 C ATOM 735 C THR A 48 -9.311 7.838 -0.248 1.00 0.00 C ATOM 736 O THR A 48 -10.020 8.074 -1.231 1.00 0.00 O ATOM 737 CB THR A 48 -7.501 6.211 0.319 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.947 5.777 -0.928 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.179 5.198 1.404 1.00 0.00 C ATOM 0 H THR A 48 -8.832 4.950 -1.320 1.00 0.00 H new ATOM 0 HA THR A 48 -9.508 6.221 1.129 1.00 0.00 H new ATOM 0 HB THR A 48 -7.062 7.167 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.979 5.659 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.098 5.084 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.580 5.545 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.627 4.238 1.150 1.00 0.00 H new ATOM 747 N LYS A 49 -8.760 8.795 0.485 1.00 0.00 N ATOM 748 CA LYS A 49 -8.983 10.201 0.185 1.00 0.00 C ATOM 749 C LYS A 49 -7.839 10.749 -0.652 1.00 0.00 C ATOM 750 O LYS A 49 -6.847 10.061 -0.865 1.00 0.00 O ATOM 751 CB LYS A 49 -9.131 11.004 1.477 1.00 0.00 C ATOM 752 CG LYS A 49 -10.079 10.368 2.485 1.00 0.00 C ATOM 753 CD LYS A 49 -11.507 10.303 1.968 1.00 0.00 C ATOM 754 CE LYS A 49 -12.417 9.576 2.947 1.00 0.00 C ATOM 755 NZ LYS A 49 -13.823 9.516 2.467 1.00 0.00 N ATOM 0 H LYS A 49 -8.157 8.624 1.290 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.907 10.293 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.150 11.120 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.490 12.004 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.734 9.361 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.056 10.939 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.882 11.313 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.524 9.793 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.045 8.564 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.386 10.080 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.407 9.012 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.189 10.482 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.858 9.012 1.558 1.00 0.00 H new ATOM 769 N GLY A 50 -7.979 11.995 -1.092 1.00 0.00 N ATOM 770 CA GLY A 50 -7.081 12.561 -2.087 1.00 0.00 C ATOM 771 C GLY A 50 -5.604 12.388 -1.782 1.00 0.00 C ATOM 772 O GLY A 50 -4.842 11.967 -2.651 1.00 0.00 O ATOM 0 H GLY A 50 -8.709 12.632 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.295 12.102 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.295 13.625 -2.186 1.00 0.00 H new ATOM 776 N LYS A 51 -5.195 12.699 -0.556 1.00 0.00 N ATOM 777 CA LYS A 51 -3.787 12.580 -0.173 1.00 0.00 C ATOM 778 C LYS A 51 -3.299 11.143 -0.293 1.00 0.00 C ATOM 779 O LYS A 51 -2.161 10.892 -0.684 1.00 0.00 O ATOM 780 CB LYS A 51 -3.559 13.085 1.254 1.00 0.00 C ATOM 781 CG LYS A 51 -2.987 14.492 1.321 1.00 0.00 C ATOM 782 CD LYS A 51 -3.914 15.510 0.682 1.00 0.00 C ATOM 783 CE LYS A 51 -3.280 16.889 0.662 1.00 0.00 C ATOM 784 NZ LYS A 51 -4.210 17.921 0.135 1.00 0.00 N ATOM 0 H LYS A 51 -5.810 13.033 0.186 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.214 13.200 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.506 13.061 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.882 12.402 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.812 14.764 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.020 14.515 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.152 15.201 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.854 15.546 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.971 17.161 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.379 16.865 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.744 18.851 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.472 17.685 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.066 17.951 0.725 1.00 0.00 H new ATOM 798 N GLU A 52 -4.174 10.207 0.030 1.00 0.00 N ATOM 799 CA GLU A 52 -3.834 8.794 -0.002 1.00 0.00 C ATOM 800 C GLU A 52 -3.918 8.267 -1.431 1.00 0.00 C ATOM 801 O GLU A 52 -3.086 7.465 -1.858 1.00 0.00 O ATOM 802 CB GLU A 52 -4.782 8.025 0.908 1.00 0.00 C ATOM 803 CG GLU A 52 -4.833 8.575 2.324 1.00 0.00 C ATOM 804 CD GLU A 52 -6.053 8.107 3.085 1.00 0.00 C ATOM 805 OE1 GLU A 52 -7.173 8.537 2.736 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.903 7.331 4.050 1.00 0.00 O ATOM 0 H GLU A 52 -5.132 10.401 0.320 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.813 8.658 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.784 8.048 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.474 6.980 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.935 8.270 2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.828 9.664 2.287 1.00 0.00 H new ATOM 813 N ASN A 53 -4.923 8.737 -2.173 1.00 0.00 N ATOM 814 CA ASN A 53 -5.069 8.383 -3.583 1.00 0.00 C ATOM 815 C ASN A 53 -3.810 8.798 -4.333 1.00 0.00 C ATOM 816 O ASN A 53 -3.238 8.022 -5.097 1.00 0.00 O ATOM 817 CB ASN A 53 -6.286 9.074 -4.230 1.00 0.00 C ATOM 818 CG ASN A 53 -7.599 8.871 -3.497 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.461 9.751 -3.500 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.788 7.714 -2.902 1.00 0.00 N ATOM 0 H ASN A 53 -5.646 9.363 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.223 7.305 -3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.085 10.143 -4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.395 8.706 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.669 7.524 -2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.054 7.006 -2.918 1.00 0.00 H new ATOM 827 N ARG A 54 -3.376 10.033 -4.082 1.00 0.00 N ATOM 828 CA ARG A 54 -2.172 10.579 -4.696 1.00 0.00 C ATOM 829 C ARG A 54 -0.937 9.804 -4.246 1.00 0.00 C ATOM 830 O ARG A 54 -0.024 9.558 -5.035 1.00 0.00 O ATOM 831 CB ARG A 54 -2.013 12.060 -4.335 1.00 0.00 C ATOM 832 CG ARG A 54 -0.829 12.725 -5.018 1.00 0.00 C ATOM 833 CD ARG A 54 -1.004 12.739 -6.525 1.00 0.00 C ATOM 834 NE ARG A 54 0.205 13.171 -7.226 1.00 0.00 N ATOM 835 CZ ARG A 54 0.374 13.056 -8.541 1.00 0.00 C ATOM 836 NH1 ARG A 54 -0.605 12.564 -9.296 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.508 13.452 -9.105 1.00 0.00 N ATOM 0 H ARG A 54 -3.849 10.679 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.271 10.484 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.925 12.592 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.899 12.153 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.721 13.746 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.088 12.195 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.280 11.741 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.828 13.403 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 54 0.960 13.583 -6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.484 12.275 -8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.476 12.476 -10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.253 13.846 -8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.635 13.363 -10.113 1.00 0.00 H new ATOM 851 N LEU A 55 -0.922 9.419 -2.976 1.00 0.00 N ATOM 852 CA LEU A 55 0.195 8.676 -2.403 1.00 0.00 C ATOM 853 C LEU A 55 0.432 7.379 -3.168 1.00 0.00 C ATOM 854 O LEU A 55 1.573 6.967 -3.375 1.00 0.00 O ATOM 855 CB LEU A 55 -0.075 8.362 -0.930 1.00 0.00 C ATOM 856 CG LEU A 55 1.060 7.650 -0.197 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.234 8.592 0.015 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.566 7.095 1.126 1.00 0.00 C ATOM 0 H LEU A 55 -1.677 9.611 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 55 1.088 9.297 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.292 9.295 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.971 7.745 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 55 1.403 6.817 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.032 8.066 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.601 8.939 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.912 9.447 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.386 6.590 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.198 7.911 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.241 6.385 0.944 1.00 0.00 H new ATOM 870 N CYS A 56 -0.649 6.750 -3.607 1.00 0.00 N ATOM 871 CA CYS A 56 -0.555 5.479 -4.310 1.00 0.00 C ATOM 872 C CYS A 56 0.034 5.631 -5.705 1.00 0.00 C ATOM 873 O CYS A 56 0.493 4.654 -6.294 1.00 0.00 O ATOM 874 CB CYS A 56 -1.913 4.796 -4.366 1.00 0.00 C ATOM 875 SG CYS A 56 -2.458 4.186 -2.745 1.00 0.00 S ATOM 0 H CYS A 56 -1.600 7.099 -3.489 1.00 0.00 H new ATOM 0 HA CYS A 56 0.131 4.849 -3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.652 5.497 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.867 3.962 -5.067 1.00 0.00 H new ATOM 880 N TYR A 57 0.047 6.848 -6.231 1.00 0.00 N ATOM 881 CA TYR A 57 0.740 7.106 -7.485 1.00 0.00 C ATOM 882 C TYR A 57 2.242 7.000 -7.267 1.00 0.00 C ATOM 883 O TYR A 57 2.991 6.636 -8.168 1.00 0.00 O ATOM 884 CB TYR A 57 0.379 8.484 -8.049 1.00 0.00 C ATOM 885 CG TYR A 57 -0.987 8.541 -8.692 1.00 0.00 C ATOM 886 CD1 TYR A 57 -2.128 8.745 -7.930 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.132 8.392 -10.065 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.377 8.798 -8.517 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.378 8.445 -10.660 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.497 8.647 -9.880 1.00 0.00 C ATOM 891 OH TYR A 57 -4.740 8.696 -10.467 1.00 0.00 O ATOM 0 H TYR A 57 -0.407 7.661 -5.816 1.00 0.00 H new ATOM 0 HA TYR A 57 0.425 6.359 -8.214 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.423 9.218 -7.245 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.129 8.773 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.038 8.864 -6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.257 8.232 -10.678 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.256 8.957 -7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.475 8.329 -11.729 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.650 8.573 -11.435 1.00 0.00 H new ATOM 901 N TYR A 58 2.671 7.316 -6.053 1.00 0.00 N ATOM 902 CA TYR A 58 4.073 7.209 -5.689 1.00 0.00 C ATOM 903 C TYR A 58 4.393 5.792 -5.218 1.00 0.00 C ATOM 904 O TYR A 58 5.454 5.252 -5.525 1.00 0.00 O ATOM 905 CB TYR A 58 4.421 8.226 -4.600 1.00 0.00 C ATOM 906 CG TYR A 58 3.969 9.634 -4.929 1.00 0.00 C ATOM 907 CD1 TYR A 58 4.349 10.248 -6.117 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.157 10.344 -4.055 1.00 0.00 C ATOM 909 CE1 TYR A 58 3.931 11.529 -6.424 1.00 0.00 C ATOM 910 CE2 TYR A 58 2.736 11.626 -4.354 1.00 0.00 C ATOM 911 CZ TYR A 58 3.125 12.213 -5.539 1.00 0.00 C ATOM 912 OH TYR A 58 2.703 13.489 -5.840 1.00 0.00 O ATOM 0 H TYR A 58 2.065 7.649 -5.303 1.00 0.00 H new ATOM 0 HA TYR A 58 4.678 7.426 -6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.962 7.914 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.500 8.225 -4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.981 9.715 -6.812 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.849 9.887 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.234 11.992 -7.352 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.105 12.165 -3.663 1.00 0.00 H new ATOM 0 HH TYR A 58 2.142 13.828 -5.112 1.00 0.00 H new ATOM 922 N LEU A 59 3.459 5.192 -4.478 1.00 0.00 N ATOM 923 CA LEU A 59 3.637 3.837 -3.955 1.00 0.00 C ATOM 924 C LEU A 59 3.509 2.787 -5.059 1.00 0.00 C ATOM 925 O LEU A 59 4.050 1.691 -4.944 1.00 0.00 O ATOM 926 CB LEU A 59 2.628 3.542 -2.836 1.00 0.00 C ATOM 927 CG LEU A 59 2.828 4.334 -1.538 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.780 3.942 -0.508 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.225 4.109 -0.977 1.00 0.00 C ATOM 0 H LEU A 59 2.570 5.624 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 59 4.645 3.782 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.625 3.744 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.673 2.478 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 59 2.715 5.394 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.937 4.514 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.786 4.153 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.865 2.877 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.344 4.681 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.366 3.049 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.967 4.436 -1.706 1.00 0.00 H new ATOM 941 N GLY A 60 2.776 3.114 -6.117 1.00 0.00 N ATOM 942 CA GLY A 60 2.693 2.223 -7.258 1.00 0.00 C ATOM 943 C GLY A 60 1.365 1.499 -7.364 1.00 0.00 C ATOM 944 O GLY A 60 1.084 0.864 -8.378 1.00 0.00 O ATOM 0 H GLY A 60 2.240 3.977 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.859 2.797 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.495 1.487 -7.194 1.00 0.00 H new ATOM 948 N ALA A 61 0.537 1.604 -6.333 1.00 0.00 N ATOM 949 CA ALA A 61 -0.758 0.928 -6.322 1.00 0.00 C ATOM 950 C ALA A 61 -1.800 1.726 -7.094 1.00 0.00 C ATOM 951 O ALA A 61 -2.859 2.081 -6.575 1.00 0.00 O ATOM 952 CB ALA A 61 -1.215 0.675 -4.896 1.00 0.00 C ATOM 0 H ALA A 61 0.736 2.149 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.642 -0.035 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.181 0.171 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.484 0.047 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.308 1.625 -4.370 1.00 0.00 H new ATOM 958 N THR A 62 -1.481 2.007 -8.342 1.00 0.00 N ATOM 959 CA THR A 62 -2.365 2.728 -9.234 1.00 0.00 C ATOM 960 C THR A 62 -1.986 2.388 -10.672 1.00 0.00 C ATOM 961 O THR A 62 -0.802 2.276 -10.990 1.00 0.00 O ATOM 962 CB THR A 62 -2.263 4.255 -9.008 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.420 4.557 -7.617 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.328 4.998 -9.794 1.00 0.00 C ATOM 0 H THR A 62 -0.594 1.739 -8.768 1.00 0.00 H new ATOM 0 HA THR A 62 -3.394 2.432 -9.033 1.00 0.00 H new ATOM 0 HB THR A 62 -1.280 4.576 -9.353 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.353 5.525 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.231 6.069 -9.615 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.203 4.795 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.315 4.664 -9.474 1.00 0.00 H new ATOM 972 N LYS A 63 -2.980 2.226 -11.541 1.00 0.00 N ATOM 973 CA LYS A 63 -2.734 1.793 -12.918 1.00 0.00 C ATOM 974 C LYS A 63 -2.166 2.922 -13.782 1.00 0.00 C ATOM 975 O LYS A 63 -2.221 2.870 -15.012 1.00 0.00 O ATOM 976 CB LYS A 63 -4.020 1.244 -13.536 1.00 0.00 C ATOM 977 CG LYS A 63 -4.553 0.007 -12.830 1.00 0.00 C ATOM 978 CD LYS A 63 -5.838 -0.501 -13.468 1.00 0.00 C ATOM 979 CE LYS A 63 -5.616 -0.945 -14.908 1.00 0.00 C ATOM 980 NZ LYS A 63 -6.862 -1.474 -15.523 1.00 0.00 N ATOM 0 H LYS A 63 -3.962 2.387 -11.319 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.985 1.002 -12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.784 2.021 -13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.837 1.004 -14.583 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.799 -0.780 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.735 0.238 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.228 -1.336 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.593 0.285 -13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.250 -0.103 -15.495 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.843 -1.713 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.669 -1.765 -16.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.197 -2.294 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.592 -0.734 -15.520 1.00 0.00 H new ATOM 994 N ASP A 64 -1.613 3.931 -13.127 1.00 0.00 N ATOM 995 CA ASP A 64 -0.956 5.041 -13.804 1.00 0.00 C ATOM 996 C ASP A 64 0.447 5.231 -13.245 1.00 0.00 C ATOM 997 O ASP A 64 1.177 6.135 -13.656 1.00 0.00 O ATOM 998 CB ASP A 64 -1.749 6.338 -13.617 1.00 0.00 C ATOM 999 CG ASP A 64 -2.963 6.442 -14.517 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -3.945 5.703 -14.301 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -2.956 7.297 -15.426 1.00 0.00 O ATOM 0 H ASP A 64 -1.606 4.004 -12.110 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.904 4.807 -14.867 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.070 6.411 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.092 7.186 -13.808 1.00 0.00 H new ATOM 1006 N ALA A 65 0.822 4.366 -12.312 1.00 0.00 N ATOM 1007 CA ALA A 65 2.071 4.521 -11.583 1.00 0.00 C ATOM 1008 C ALA A 65 3.088 3.458 -11.973 1.00 0.00 C ATOM 1009 O ALA A 65 2.857 2.672 -12.896 1.00 0.00 O ATOM 1010 CB ALA A 65 1.802 4.473 -10.088 1.00 0.00 C ATOM 0 H ALA A 65 0.276 3.548 -12.042 1.00 0.00 H new ATOM 0 HA ALA A 65 2.497 5.490 -11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.740 4.589 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.122 5.280 -9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.350 3.515 -9.830 1.00 0.00 H new ATOM 1016 N ALA A 66 4.215 3.449 -11.270 1.00 0.00 N ATOM 1017 CA ALA A 66 5.268 2.478 -11.511 1.00 0.00 C ATOM 1018 C ALA A 66 4.816 1.076 -11.122 1.00 0.00 C ATOM 1019 O ALA A 66 4.203 0.870 -10.074 1.00 0.00 O ATOM 1020 CB ALA A 66 6.521 2.867 -10.744 1.00 0.00 C ATOM 0 H ALA A 66 4.421 4.111 -10.522 1.00 0.00 H new ATOM 0 HA ALA A 66 5.495 2.473 -12.577 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.305 2.133 -10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.858 3.850 -11.073 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.300 2.898 -9.677 1.00 0.00 H new ATOM 1026 N THR A 67 5.132 0.118 -11.974 1.00 0.00 N ATOM 1027 CA THR A 67 4.690 -1.252 -11.798 1.00 0.00 C ATOM 1028 C THR A 67 5.612 -2.030 -10.870 1.00 0.00 C ATOM 1029 O THR A 67 5.161 -2.874 -10.095 1.00 0.00 O ATOM 1030 CB THR A 67 4.631 -1.969 -13.152 1.00 0.00 C ATOM 1031 OG1 THR A 67 5.758 -1.583 -13.954 1.00 0.00 O ATOM 1032 CG2 THR A 67 3.337 -1.647 -13.885 1.00 0.00 C ATOM 0 H THR A 67 5.702 0.268 -12.807 1.00 0.00 H new ATOM 0 HA THR A 67 3.698 -1.213 -11.349 1.00 0.00 H new ATOM 0 HB THR A 67 4.662 -3.044 -12.974 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.718 -2.044 -14.818 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.321 -2.168 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.488 -1.969 -13.282 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.274 -0.572 -14.056 1.00 0.00 H new ATOM 1040 N LYS A 68 6.899 -1.734 -10.947 1.00 0.00 N ATOM 1041 CA LYS A 68 7.901 -2.473 -10.194 1.00 0.00 C ATOM 1042 C LYS A 68 7.860 -2.141 -8.707 1.00 0.00 C ATOM 1043 O LYS A 68 8.326 -2.921 -7.879 1.00 0.00 O ATOM 1044 CB LYS A 68 9.291 -2.190 -10.753 1.00 0.00 C ATOM 1045 CG LYS A 68 9.593 -2.930 -12.047 1.00 0.00 C ATOM 1046 CD LYS A 68 9.766 -4.424 -11.805 1.00 0.00 C ATOM 1047 CE LYS A 68 10.914 -4.707 -10.843 1.00 0.00 C ATOM 1048 NZ LYS A 68 12.222 -4.235 -11.372 1.00 0.00 N ATOM 0 H LYS A 68 7.276 -0.984 -11.526 1.00 0.00 H new ATOM 0 HA LYS A 68 7.673 -3.534 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.392 -1.119 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.036 -2.464 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.784 -2.766 -12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.500 -2.525 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.842 -4.837 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.953 -4.928 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.714 -4.221 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.968 -5.778 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.989 -4.581 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.358 -4.598 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.235 -3.195 -11.388 1.00 0.00 H new ATOM 1062 N ILE A 69 7.319 -0.984 -8.364 1.00 0.00 N ATOM 1063 CA ILE A 69 7.216 -0.604 -6.965 1.00 0.00 C ATOM 1064 C ILE A 69 5.940 -1.182 -6.352 1.00 0.00 C ATOM 1065 O ILE A 69 5.874 -1.430 -5.151 1.00 0.00 O ATOM 1066 CB ILE A 69 7.273 0.931 -6.775 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.329 1.286 -5.286 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.089 1.604 -7.450 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.534 2.762 -5.017 1.00 0.00 C ATOM 0 H ILE A 69 6.949 -0.300 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 69 8.078 -1.022 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 69 8.183 1.301 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.402 0.965 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.138 0.725 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.151 2.682 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.104 1.382 -8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.162 1.231 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.563 2.935 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.475 3.086 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.712 3.329 -5.454 1.00 0.00 H new ATOM 1081 N LEU A 70 4.946 -1.442 -7.196 1.00 0.00 N ATOM 1082 CA LEU A 70 3.696 -2.043 -6.743 1.00 0.00 C ATOM 1083 C LEU A 70 3.954 -3.423 -6.146 1.00 0.00 C ATOM 1084 O LEU A 70 3.427 -3.763 -5.085 1.00 0.00 O ATOM 1085 CB LEU A 70 2.698 -2.136 -7.902 1.00 0.00 C ATOM 1086 CG LEU A 70 1.370 -2.827 -7.581 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.754 -2.253 -6.317 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.409 -2.685 -8.751 1.00 0.00 C ATOM 0 H LEU A 70 4.982 -1.246 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 70 3.266 -1.408 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.485 -1.127 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.174 -2.669 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 70 1.565 -3.886 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.189 -2.759 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.437 -2.400 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.571 -1.187 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.532 -3.180 -8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.224 -1.628 -8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.845 -3.145 -9.638 1.00 0.00 H new ATOM 1100 N SER A 71 4.791 -4.203 -6.816 1.00 0.00 N ATOM 1101 CA SER A 71 5.162 -5.518 -6.326 1.00 0.00 C ATOM 1102 C SER A 71 6.018 -5.393 -5.070 1.00 0.00 C ATOM 1103 O SER A 71 6.077 -6.304 -4.242 1.00 0.00 O ATOM 1104 CB SER A 71 5.904 -6.287 -7.416 1.00 0.00 C ATOM 1105 OG SER A 71 6.936 -5.497 -7.979 1.00 0.00 O ATOM 0 H SER A 71 5.225 -3.945 -7.702 1.00 0.00 H new ATOM 0 HA SER A 71 4.259 -6.070 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.327 -7.201 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.204 -6.587 -8.196 1.00 0.00 H new ATOM 0 HG SER A 71 7.399 -6.010 -8.674 1.00 0.00 H new ATOM 1111 N GLU A 72 6.656 -4.241 -4.918 1.00 0.00 N ATOM 1112 CA GLU A 72 7.498 -3.986 -3.767 1.00 0.00 C ATOM 1113 C GLU A 72 6.628 -3.699 -2.549 1.00 0.00 C ATOM 1114 O GLU A 72 7.090 -3.780 -1.414 1.00 0.00 O ATOM 1115 CB GLU A 72 8.441 -2.813 -4.053 1.00 0.00 C ATOM 1116 CG GLU A 72 9.648 -2.756 -3.134 1.00 0.00 C ATOM 1117 CD GLU A 72 10.457 -4.036 -3.173 1.00 0.00 C ATOM 1118 OE1 GLU A 72 10.767 -4.517 -4.284 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.776 -4.576 -2.096 1.00 0.00 O ATOM 0 H GLU A 72 6.604 -3.468 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 72 8.106 -4.867 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.785 -2.880 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.883 -1.881 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.283 -1.918 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.317 -2.569 -2.113 1.00 0.00 H new ATOM 1126 N VAL A 73 5.375 -3.326 -2.805 1.00 0.00 N ATOM 1127 CA VAL A 73 4.378 -3.166 -1.754 1.00 0.00 C ATOM 1128 C VAL A 73 3.641 -4.484 -1.480 1.00 0.00 C ATOM 1129 O VAL A 73 3.561 -4.942 -0.338 1.00 0.00 O ATOM 1130 CB VAL A 73 3.350 -2.070 -2.111 1.00 0.00 C ATOM 1131 CG1 VAL A 73 2.357 -1.868 -0.975 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.052 -0.762 -2.443 1.00 0.00 C ATOM 0 H VAL A 73 5.026 -3.128 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 73 4.915 -2.865 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 73 2.799 -2.398 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.643 -1.091 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.825 -2.800 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.891 -1.567 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.310 -0.004 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.633 -0.432 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.717 -0.912 -3.294 1.00 0.00 H new ATOM 1142 N THR A 74 3.113 -5.095 -2.542 1.00 0.00 N ATOM 1143 CA THR A 74 2.280 -6.293 -2.421 1.00 0.00 C ATOM 1144 C THR A 74 2.979 -7.418 -1.661 1.00 0.00 C ATOM 1145 O THR A 74 2.412 -7.982 -0.726 1.00 0.00 O ATOM 1146 CB THR A 74 1.841 -6.809 -3.807 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.962 -6.869 -4.698 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.768 -5.915 -4.404 1.00 0.00 C ATOM 0 H THR A 74 3.249 -4.777 -3.502 1.00 0.00 H new ATOM 0 HA THR A 74 1.402 -5.994 -1.849 1.00 0.00 H new ATOM 0 HB THR A 74 1.432 -7.810 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.649 -6.787 -5.623 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.476 -6.300 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.100 -5.899 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.158 -4.903 -4.515 1.00 0.00 H new ATOM 1156 N ARG A 75 4.214 -7.726 -2.047 1.00 0.00 N ATOM 1157 CA ARG A 75 4.950 -8.831 -1.434 1.00 0.00 C ATOM 1158 C ARG A 75 5.045 -8.685 0.093 1.00 0.00 C ATOM 1159 O ARG A 75 4.663 -9.605 0.817 1.00 0.00 O ATOM 1160 CB ARG A 75 6.347 -8.980 -2.055 1.00 0.00 C ATOM 1161 CG ARG A 75 6.371 -9.795 -3.344 1.00 0.00 C ATOM 1162 CD ARG A 75 5.483 -9.191 -4.420 1.00 0.00 C ATOM 1163 NE ARG A 75 5.443 -10.005 -5.632 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.546 -9.847 -6.605 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.601 -8.922 -6.502 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.589 -10.616 -7.683 1.00 0.00 N ATOM 0 H ARG A 75 4.725 -7.230 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 75 4.385 -9.740 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.751 -7.988 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.008 -9.451 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.395 -9.858 -3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.044 -10.813 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.472 -9.076 -4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.845 -8.193 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 75 6.144 -10.738 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.558 -8.327 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.917 -8.806 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.310 -11.332 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.901 -10.492 -8.426 1.00 0.00 H new ATOM 1180 N PRO A 76 5.551 -7.549 0.619 1.00 0.00 N ATOM 1181 CA PRO A 76 5.671 -7.352 2.067 1.00 0.00 C ATOM 1182 C PRO A 76 4.343 -7.263 2.801 1.00 0.00 C ATOM 1183 O PRO A 76 4.316 -7.309 4.022 1.00 0.00 O ATOM 1184 CB PRO A 76 6.431 -6.036 2.214 1.00 0.00 C ATOM 1185 CG PRO A 76 6.248 -5.338 0.920 1.00 0.00 C ATOM 1186 CD PRO A 76 6.121 -6.412 -0.124 1.00 0.00 C ATOM 0 HA PRO A 76 6.171 -8.211 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.038 -5.444 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.487 -6.211 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.359 -4.708 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.095 -4.686 0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.471 -6.101 -0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.087 -6.663 -0.562 1.00 0.00 H new ATOM 1194 N MET A 77 3.252 -7.099 2.080 1.00 0.00 N ATOM 1195 CA MET A 77 1.948 -7.079 2.722 1.00 0.00 C ATOM 1196 C MET A 77 1.517 -8.492 3.071 1.00 0.00 C ATOM 1197 O MET A 77 0.758 -8.704 4.007 1.00 0.00 O ATOM 1198 CB MET A 77 0.906 -6.410 1.828 1.00 0.00 C ATOM 1199 CG MET A 77 1.130 -4.919 1.673 1.00 0.00 C ATOM 1200 SD MET A 77 1.117 -4.060 3.257 1.00 0.00 S ATOM 1201 CE MET A 77 1.579 -2.415 2.739 1.00 0.00 C ATOM 0 H MET A 77 3.238 -6.979 1.067 1.00 0.00 H new ATOM 0 HA MET A 77 2.028 -6.496 3.639 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.924 -6.879 0.844 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.086 -6.582 2.245 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.085 -4.747 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.356 -4.502 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.858 -1.824 3.611 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.425 -2.473 2.055 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.736 -1.942 2.235 1.00 0.00 H new ATOM 1211 N SER A 78 2.050 -9.448 2.326 1.00 0.00 N ATOM 1212 CA SER A 78 1.676 -10.853 2.446 1.00 0.00 C ATOM 1213 C SER A 78 2.246 -11.498 3.715 1.00 0.00 C ATOM 1214 O SER A 78 1.834 -12.596 4.098 1.00 0.00 O ATOM 1215 CB SER A 78 2.184 -11.596 1.210 1.00 0.00 C ATOM 1216 OG SER A 78 1.844 -12.972 1.250 1.00 0.00 O ATOM 0 H SER A 78 2.760 -9.272 1.615 1.00 0.00 H new ATOM 0 HA SER A 78 0.590 -10.917 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.762 -11.142 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.267 -11.490 1.141 1.00 0.00 H new ATOM 0 HG SER A 78 1.773 -13.264 2.183 1.00 0.00 H new ATOM 1222 N VAL A 79 3.195 -10.827 4.351 1.00 0.00 N ATOM 1223 CA VAL A 79 3.888 -11.375 5.510 1.00 0.00 C ATOM 1224 C VAL A 79 4.407 -10.224 6.370 1.00 0.00 C ATOM 1225 O VAL A 79 4.452 -9.093 5.903 1.00 0.00 O ATOM 1226 CB VAL A 79 5.060 -12.282 5.051 1.00 0.00 C ATOM 1227 CG1 VAL A 79 6.137 -11.470 4.345 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.648 -13.066 6.214 1.00 0.00 C ATOM 0 H VAL A 79 3.506 -9.894 4.081 1.00 0.00 H new ATOM 0 HA VAL A 79 3.199 -11.981 6.098 1.00 0.00 H new ATOM 0 HB VAL A 79 4.656 -13.001 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.946 -12.131 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.710 -10.983 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.528 -10.714 5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.466 -13.690 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.023 -12.373 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.876 -13.697 6.654 1.00 0.00 H new ATOM 1238 N HIS A 80 4.770 -10.485 7.622 1.00 0.00 N ATOM 1239 CA HIS A 80 5.308 -9.427 8.471 1.00 0.00 C ATOM 1240 C HIS A 80 6.696 -9.022 7.991 1.00 0.00 C ATOM 1241 O HIS A 80 7.707 -9.574 8.431 1.00 0.00 O ATOM 1242 CB HIS A 80 5.361 -9.854 9.939 1.00 0.00 C ATOM 1243 CG HIS A 80 5.681 -8.720 10.867 1.00 0.00 C ATOM 1244 ND1 HIS A 80 4.814 -7.676 11.095 1.00 0.00 N ATOM 1245 CD2 HIS A 80 6.783 -8.460 11.609 1.00 0.00 C ATOM 1246 CE1 HIS A 80 5.365 -6.822 11.936 1.00 0.00 C ATOM 1247 NE2 HIS A 80 6.560 -7.273 12.264 1.00 0.00 N ATOM 0 H HIS A 80 4.704 -11.401 8.065 1.00 0.00 H new ATOM 0 HA HIS A 80 4.638 -8.570 8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.401 -10.287 10.221 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.111 -10.636 10.058 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.671 -9.071 11.674 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.914 -5.909 12.295 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.213 -6.815 12.900 1.00 0.00 H new ATOM 1256 N MET A 81 6.729 -8.062 7.088 1.00 0.00 N ATOM 1257 CA MET A 81 7.969 -7.625 6.473 1.00 0.00 C ATOM 1258 C MET A 81 8.356 -6.220 6.938 1.00 0.00 C ATOM 1259 O MET A 81 7.629 -5.593 7.708 1.00 0.00 O ATOM 1260 CB MET A 81 7.820 -7.658 4.942 1.00 0.00 C ATOM 1261 CG MET A 81 8.631 -8.760 4.281 1.00 0.00 C ATOM 1262 SD MET A 81 8.645 -8.663 2.479 1.00 0.00 S ATOM 1263 CE MET A 81 9.690 -7.229 2.217 1.00 0.00 C ATOM 0 H MET A 81 5.901 -7.564 6.760 1.00 0.00 H new ATOM 0 HA MET A 81 8.765 -8.304 6.778 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.768 -7.790 4.689 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.128 -6.695 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 81 9.657 -8.715 4.647 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.228 -9.727 4.582 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.692 -6.969 1.159 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.307 -6.389 2.797 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.707 -7.457 2.537 1.00 0.00 H new ATOM 1273 N PRO A 82 9.532 -5.738 6.477 1.00 0.00 N ATOM 1274 CA PRO A 82 10.027 -4.358 6.634 1.00 0.00 C ATOM 1275 C PRO A 82 9.013 -3.227 6.413 1.00 0.00 C ATOM 1276 O PRO A 82 9.420 -2.088 6.490 1.00 0.00 O ATOM 1277 CB PRO A 82 11.121 -4.270 5.577 1.00 0.00 C ATOM 1278 CG PRO A 82 11.708 -5.625 5.562 1.00 0.00 C ATOM 1279 CD PRO A 82 10.560 -6.565 5.793 1.00 0.00 C ATOM 0 HA PRO A 82 10.332 -4.203 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.714 -4.000 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.864 -3.515 5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.197 -5.830 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.465 -5.733 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.183 -6.969 4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.860 -7.414 6.408 1.00 0.00 H new ATOM 1287 N ALA A 83 7.746 -3.514 6.090 1.00 0.00 N ATOM 1288 CA ALA A 83 6.774 -2.492 5.638 1.00 0.00 C ATOM 1289 C ALA A 83 6.891 -1.147 6.374 1.00 0.00 C ATOM 1290 O ALA A 83 6.811 -0.093 5.747 1.00 0.00 O ATOM 1291 CB ALA A 83 5.354 -3.016 5.788 1.00 0.00 C ATOM 0 H ALA A 83 7.359 -4.457 6.132 1.00 0.00 H new ATOM 0 HA ALA A 83 7.013 -2.302 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.648 -2.256 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.232 -3.916 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.162 -3.253 6.835 1.00 0.00 H new ATOM 1297 N MET A 84 7.099 -1.174 7.679 1.00 0.00 N ATOM 1298 CA MET A 84 7.337 0.055 8.434 1.00 0.00 C ATOM 1299 C MET A 84 8.615 0.729 7.926 1.00 0.00 C ATOM 1300 O MET A 84 8.610 1.863 7.452 1.00 0.00 O ATOM 1301 CB MET A 84 7.495 -0.245 9.931 1.00 0.00 C ATOM 1302 CG MET A 84 6.492 -1.240 10.504 1.00 0.00 C ATOM 1303 SD MET A 84 6.729 -2.927 9.892 1.00 0.00 S ATOM 1304 CE MET A 84 8.519 -3.043 9.879 1.00 0.00 C ATOM 0 H MET A 84 7.109 -2.026 8.240 1.00 0.00 H new ATOM 0 HA MET A 84 6.480 0.714 8.293 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.501 -0.627 10.104 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.410 0.691 10.483 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.572 -1.241 11.591 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.483 -0.910 10.259 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.815 -4.088 9.786 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.914 -2.477 9.035 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.917 -2.635 10.808 1.00 0.00 H new ATOM 1314 N LYS A 85 9.697 -0.023 7.976 1.00 0.00 N ATOM 1315 CA LYS A 85 10.998 0.425 7.503 1.00 0.00 C ATOM 1316 C LYS A 85 10.967 0.733 6.000 1.00 0.00 C ATOM 1317 O LYS A 85 11.870 1.370 5.476 1.00 0.00 O ATOM 1318 CB LYS A 85 12.037 -0.662 7.795 1.00 0.00 C ATOM 1319 CG LYS A 85 13.469 -0.264 7.480 1.00 0.00 C ATOM 1320 CD LYS A 85 14.417 -1.445 7.622 1.00 0.00 C ATOM 1321 CE LYS A 85 14.402 -2.018 9.030 1.00 0.00 C ATOM 1322 NZ LYS A 85 15.281 -3.212 9.150 1.00 0.00 N ATOM 0 H LYS A 85 9.701 -0.972 8.349 1.00 0.00 H new ATOM 0 HA LYS A 85 11.264 1.344 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.972 -0.935 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.785 -1.552 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.524 0.129 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.781 0.538 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.138 -2.222 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.429 -1.130 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.728 -1.255 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.382 -2.289 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.244 -3.574 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.955 -3.950 8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.259 -2.948 8.916 1.00 0.00 H new ATOM 1336 N ILE A 86 9.925 0.287 5.307 1.00 0.00 N ATOM 1337 CA ILE A 86 9.835 0.484 3.867 1.00 0.00 C ATOM 1338 C ILE A 86 9.586 1.956 3.521 1.00 0.00 C ATOM 1339 O ILE A 86 9.991 2.412 2.462 1.00 0.00 O ATOM 1340 CB ILE A 86 8.773 -0.446 3.215 1.00 0.00 C ATOM 1341 CG1 ILE A 86 9.195 -1.908 3.425 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.608 -0.146 1.730 1.00 0.00 C ATOM 1343 CD1 ILE A 86 8.315 -2.944 2.752 1.00 0.00 C ATOM 0 H ILE A 86 9.135 -0.211 5.718 1.00 0.00 H new ATOM 0 HA ILE A 86 10.800 0.204 3.444 1.00 0.00 H new ATOM 0 HB ILE A 86 7.808 -0.268 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.215 -2.030 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.214 -2.113 4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.859 -0.814 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.288 0.888 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.560 -0.297 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.701 -3.941 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.297 -2.860 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.314 -2.776 1.675 1.00 0.00 H new ATOM 1355 N CYS A 87 8.978 2.722 4.428 1.00 0.00 N ATOM 1356 CA CYS A 87 8.844 4.167 4.203 1.00 0.00 C ATOM 1357 C CYS A 87 10.191 4.855 4.384 1.00 0.00 C ATOM 1358 O CYS A 87 10.398 5.997 3.970 1.00 0.00 O ATOM 1359 CB CYS A 87 7.809 4.800 5.136 1.00 0.00 C ATOM 1360 SG CYS A 87 6.088 4.290 4.826 1.00 0.00 S ATOM 0 H CYS A 87 8.580 2.381 5.303 1.00 0.00 H new ATOM 0 HA CYS A 87 8.496 4.305 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 87 8.067 4.550 6.165 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.874 5.884 5.045 1.00 0.00 H new ATOM 1365 N GLU A 88 11.095 4.153 5.033 1.00 0.00 N ATOM 1366 CA GLU A 88 12.476 4.576 5.146 1.00 0.00 C ATOM 1367 C GLU A 88 13.249 4.096 3.922 1.00 0.00 C ATOM 1368 O GLU A 88 14.011 4.840 3.305 1.00 0.00 O ATOM 1369 CB GLU A 88 13.073 3.973 6.410 1.00 0.00 C ATOM 1370 CG GLU A 88 12.471 4.510 7.697 1.00 0.00 C ATOM 1371 CD GLU A 88 12.937 3.739 8.915 1.00 0.00 C ATOM 1372 OE1 GLU A 88 14.153 3.745 9.198 1.00 0.00 O ATOM 1373 OE2 GLU A 88 12.092 3.110 9.586 1.00 0.00 O ATOM 0 H GLU A 88 10.893 3.269 5.499 1.00 0.00 H new ATOM 0 HA GLU A 88 12.535 5.663 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.939 2.892 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.147 4.161 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.739 5.560 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.384 4.463 7.634 1.00 0.00 H new ATOM 1380 N LYS A 89 13.010 2.838 3.584 1.00 0.00 N ATOM 1381 CA LYS A 89 13.665 2.159 2.477 1.00 0.00 C ATOM 1382 C LYS A 89 13.308 2.806 1.135 1.00 0.00 C ATOM 1383 O LYS A 89 14.159 2.949 0.257 1.00 0.00 O ATOM 1384 CB LYS A 89 13.256 0.679 2.518 1.00 0.00 C ATOM 1385 CG LYS A 89 13.935 -0.208 1.490 1.00 0.00 C ATOM 1386 CD LYS A 89 14.007 -1.659 1.967 1.00 0.00 C ATOM 1387 CE LYS A 89 12.635 -2.261 2.262 1.00 0.00 C ATOM 1388 NZ LYS A 89 11.800 -2.365 1.032 1.00 0.00 N ATOM 0 H LYS A 89 12.342 2.249 4.082 1.00 0.00 H new ATOM 0 HA LYS A 89 14.747 2.244 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 89 13.471 0.287 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.177 0.613 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 89 13.389 -0.160 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.941 0.163 1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.505 -2.261 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.620 -1.710 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.759 -3.251 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.120 -1.647 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.958 -2.942 1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.505 -1.414 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.354 -2.811 0.273 1.00 0.00 H new ATOM 1402 N LEU A 90 12.055 3.228 0.996 1.00 0.00 N ATOM 1403 CA LEU A 90 11.585 3.864 -0.234 1.00 0.00 C ATOM 1404 C LEU A 90 12.222 5.231 -0.448 1.00 0.00 C ATOM 1405 O LEU A 90 12.162 5.773 -1.550 1.00 0.00 O ATOM 1406 CB LEU A 90 10.061 4.004 -0.232 1.00 0.00 C ATOM 1407 CG LEU A 90 9.288 2.708 -0.479 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.790 2.969 -0.454 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.702 2.091 -1.806 1.00 0.00 C ATOM 0 H LEU A 90 11.343 3.141 1.722 1.00 0.00 H new ATOM 0 HA LEU A 90 11.885 3.215 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.751 4.416 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.778 4.728 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 90 9.526 2.004 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.255 2.036 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.507 3.370 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.533 3.688 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.144 1.169 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.490 2.791 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.769 1.870 -1.787 1.00 0.00 H new ATOM 1421 N LYS A 91 12.847 5.786 0.588 1.00 0.00 N ATOM 1422 CA LYS A 91 13.489 7.091 0.464 1.00 0.00 C ATOM 1423 C LYS A 91 14.684 7.023 -0.479 1.00 0.00 C ATOM 1424 O LYS A 91 15.193 8.052 -0.920 1.00 0.00 O ATOM 1425 CB LYS A 91 13.932 7.637 1.820 1.00 0.00 C ATOM 1426 CG LYS A 91 12.784 8.047 2.726 1.00 0.00 C ATOM 1427 CD LYS A 91 13.290 8.875 3.893 1.00 0.00 C ATOM 1428 CE LYS A 91 12.166 9.321 4.809 1.00 0.00 C ATOM 1429 NZ LYS A 91 11.609 8.194 5.600 1.00 0.00 N ATOM 0 H LYS A 91 12.922 5.359 1.511 1.00 0.00 H new ATOM 0 HA LYS A 91 12.746 7.772 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.529 6.880 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.580 8.499 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.052 8.621 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.273 7.159 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.012 8.292 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.817 9.751 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.535 10.091 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.372 9.773 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.867 8.550 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.202 7.486 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.367 7.757 6.162 1.00 0.00 H new ATOM 1443 N LYS A 92 15.135 5.811 -0.777 1.00 0.00 N ATOM 1444 CA LYS A 92 16.175 5.614 -1.778 1.00 0.00 C ATOM 1445 C LYS A 92 15.633 5.977 -3.155 1.00 0.00 C ATOM 1446 O LYS A 92 16.369 6.414 -4.041 1.00 0.00 O ATOM 1447 CB LYS A 92 16.653 4.164 -1.777 1.00 0.00 C ATOM 1448 CG LYS A 92 17.246 3.714 -0.453 1.00 0.00 C ATOM 1449 CD LYS A 92 17.688 2.265 -0.521 1.00 0.00 C ATOM 1450 CE LYS A 92 18.231 1.779 0.811 1.00 0.00 C ATOM 1451 NZ LYS A 92 18.599 0.340 0.763 1.00 0.00 N ATOM 0 H LYS A 92 14.798 4.952 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 92 17.021 6.258 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.814 3.515 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.400 4.037 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 92 18.097 4.346 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.509 3.836 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.845 1.641 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.454 2.154 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.106 2.369 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.484 1.938 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.966 0.044 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.759 -0.225 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.330 0.193 0.039 1.00 0.00 H new ATOM 1465 N LEU A 93 14.329 5.800 -3.315 1.00 0.00 N ATOM 1466 CA LEU A 93 13.654 6.100 -4.567 1.00 0.00 C ATOM 1467 C LEU A 93 13.083 7.512 -4.529 1.00 0.00 C ATOM 1468 O LEU A 93 13.264 8.288 -5.467 1.00 0.00 O ATOM 1469 CB LEU A 93 12.525 5.093 -4.840 1.00 0.00 C ATOM 1470 CG LEU A 93 12.957 3.651 -5.149 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.510 2.956 -3.913 1.00 0.00 C ATOM 1472 CD2 LEU A 93 11.789 2.861 -5.716 1.00 0.00 C ATOM 0 H LEU A 93 13.713 5.446 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 93 14.386 6.026 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.867 5.074 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.935 5.460 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 93 13.753 3.695 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.805 1.939 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.378 3.504 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.744 2.927 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.109 1.841 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.976 2.841 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.442 3.333 -6.635 1.00 0.00 H new ATOM 1484 N ASP A 94 12.399 7.841 -3.435 1.00 0.00 N ATOM 1485 CA ASP A 94 11.788 9.156 -3.276 1.00 0.00 C ATOM 1486 C ASP A 94 11.478 9.442 -1.809 1.00 0.00 C ATOM 1487 O ASP A 94 10.794 8.663 -1.148 1.00 0.00 O ATOM 1488 CB ASP A 94 10.502 9.247 -4.098 1.00 0.00 C ATOM 1489 CG ASP A 94 9.901 10.634 -4.067 1.00 0.00 C ATOM 1490 OD1 ASP A 94 10.340 11.491 -4.862 1.00 0.00 O ATOM 1491 OD2 ASP A 94 8.988 10.877 -3.257 1.00 0.00 O ATOM 0 H ASP A 94 12.255 7.212 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 94 12.499 9.901 -3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.712 8.967 -5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.776 8.530 -3.715 1.00 0.00 H new ATOM 1496 N SER A 95 12.000 10.548 -1.297 1.00 0.00 N ATOM 1497 CA SER A 95 11.750 10.937 0.086 1.00 0.00 C ATOM 1498 C SER A 95 10.464 11.755 0.221 1.00 0.00 C ATOM 1499 O SER A 95 9.922 11.898 1.320 1.00 0.00 O ATOM 1500 CB SER A 95 12.945 11.717 0.639 1.00 0.00 C ATOM 1501 OG SER A 95 13.355 12.738 -0.258 1.00 0.00 O ATOM 0 H SER A 95 12.598 11.191 -1.816 1.00 0.00 H new ATOM 0 HA SER A 95 11.619 10.026 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.680 12.159 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.775 11.034 0.820 1.00 0.00 H new ATOM 0 HG SER A 95 14.119 13.220 0.122 1.00 0.00 H new ATOM 1507 N GLN A 96 9.963 12.268 -0.900 1.00 0.00 N ATOM 1508 CA GLN A 96 8.797 13.153 -0.889 1.00 0.00 C ATOM 1509 C GLN A 96 7.519 12.383 -0.578 1.00 0.00 C ATOM 1510 O GLN A 96 6.518 12.967 -0.170 1.00 0.00 O ATOM 1511 CB GLN A 96 8.659 13.892 -2.224 1.00 0.00 C ATOM 1512 CG GLN A 96 9.541 15.130 -2.350 1.00 0.00 C ATOM 1513 CD GLN A 96 11.009 14.848 -2.093 1.00 0.00 C ATOM 1514 OE1 GLN A 96 11.754 14.491 -3.003 1.00 0.00 O ATOM 1515 NE2 GLN A 96 11.441 15.033 -0.857 1.00 0.00 N ATOM 0 H GLN A 96 10.345 12.087 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 96 8.952 13.888 -0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.901 13.204 -3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.618 14.187 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.428 15.548 -3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.195 15.888 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.791 15.330 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.424 14.879 -0.632 1.00 0.00 H new ATOM 1524 N ILE A 97 7.566 11.070 -0.770 1.00 0.00 N ATOM 1525 CA ILE A 97 6.462 10.187 -0.397 1.00 0.00 C ATOM 1526 C ILE A 97 6.095 10.377 1.079 1.00 0.00 C ATOM 1527 O ILE A 97 4.934 10.246 1.473 1.00 0.00 O ATOM 1528 CB ILE A 97 6.832 8.703 -0.646 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.178 8.482 -2.121 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.698 7.777 -0.222 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.627 7.071 -2.439 1.00 0.00 C ATOM 0 H ILE A 97 8.363 10.588 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 97 5.605 10.448 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 97 7.706 8.465 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.306 8.721 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.967 9.178 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.985 6.742 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.496 7.912 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.801 8.014 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.854 6.992 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.519 6.833 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.832 6.370 -2.185 1.00 0.00 H new ATOM 1543 N CYS A 98 7.089 10.722 1.880 1.00 0.00 N ATOM 1544 CA CYS A 98 6.902 10.873 3.312 1.00 0.00 C ATOM 1545 C CYS A 98 6.328 12.237 3.688 1.00 0.00 C ATOM 1546 O CYS A 98 5.673 12.372 4.724 1.00 0.00 O ATOM 1547 CB CYS A 98 8.228 10.653 4.037 1.00 0.00 C ATOM 1548 SG CYS A 98 8.632 8.901 4.324 1.00 0.00 S ATOM 0 H CYS A 98 8.040 10.904 1.559 1.00 0.00 H new ATOM 0 HA CYS A 98 6.177 10.120 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.029 11.109 3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.196 11.170 4.996 1.00 0.00 H new ATOM 1553 N GLU A 99 6.539 13.237 2.845 1.00 0.00 N ATOM 1554 CA GLU A 99 6.182 14.606 3.201 1.00 0.00 C ATOM 1555 C GLU A 99 4.861 15.038 2.568 1.00 0.00 C ATOM 1556 O GLU A 99 4.595 16.232 2.433 1.00 0.00 O ATOM 1557 CB GLU A 99 7.298 15.573 2.793 1.00 0.00 C ATOM 1558 CG GLU A 99 7.581 15.581 1.302 1.00 0.00 C ATOM 1559 CD GLU A 99 8.643 16.581 0.913 1.00 0.00 C ATOM 1560 OE1 GLU A 99 9.842 16.250 1.011 1.00 0.00 O ATOM 1561 OE2 GLU A 99 8.286 17.705 0.505 1.00 0.00 O ATOM 0 H GLU A 99 6.951 13.130 1.918 1.00 0.00 H new ATOM 0 HA GLU A 99 6.055 14.634 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.027 16.581 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.211 15.307 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.895 14.585 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.661 15.807 0.763 1.00 0.00 H new ATOM 1568 N LEU A 100 4.040 14.066 2.176 1.00 0.00 N ATOM 1569 CA LEU A 100 2.697 14.360 1.677 1.00 0.00 C ATOM 1570 C LEU A 100 1.935 15.197 2.699 1.00 0.00 C ATOM 1571 O LEU A 100 1.597 16.353 2.436 1.00 0.00 O ATOM 1572 CB LEU A 100 1.934 13.062 1.386 1.00 0.00 C ATOM 1573 CG LEU A 100 1.898 12.623 -0.082 1.00 0.00 C ATOM 1574 CD1 LEU A 100 1.109 13.619 -0.918 1.00 0.00 C ATOM 1575 CD2 LEU A 100 3.304 12.461 -0.637 1.00 0.00 C ATOM 0 H LEU A 100 4.278 13.074 2.194 1.00 0.00 H new ATOM 0 HA LEU A 100 2.786 14.924 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.381 12.261 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.908 13.180 1.735 1.00 0.00 H new ATOM 0 HG LEU A 100 1.400 11.655 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.094 13.291 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.088 13.681 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.579 14.600 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.250 12.149 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.834 13.411 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.838 11.706 -0.060 1.00 0.00 H new ATOM 1587 N LYS A 101 1.705 14.600 3.873 1.00 0.00 N ATOM 1588 CA LYS A 101 1.044 15.265 5.000 1.00 0.00 C ATOM 1589 C LYS A 101 -0.419 15.590 4.688 1.00 0.00 C ATOM 1590 O LYS A 101 -0.743 16.146 3.637 1.00 0.00 O ATOM 1591 CB LYS A 101 1.798 16.538 5.397 1.00 0.00 C ATOM 1592 CG LYS A 101 3.275 16.318 5.690 1.00 0.00 C ATOM 1593 CD LYS A 101 3.498 15.495 6.951 1.00 0.00 C ATOM 1594 CE LYS A 101 4.986 15.324 7.224 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.255 14.854 8.608 1.00 0.00 N ATOM 0 H LYS A 101 1.974 13.636 4.069 1.00 0.00 H new ATOM 0 HA LYS A 101 1.059 14.571 5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.703 17.269 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.324 16.969 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.740 15.814 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.770 17.283 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.021 15.984 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.028 14.518 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.404 14.611 6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.495 16.274 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.282 14.817 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.821 15.511 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.850 13.905 8.737 1.00 0.00 H new ATOM 1609 N TYR A 102 -1.306 15.243 5.612 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.730 15.504 5.437 1.00 0.00 C ATOM 1611 C TYR A 102 -2.998 17.001 5.458 1.00 0.00 C ATOM 1612 O TYR A 102 -3.034 17.619 6.519 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.550 14.799 6.519 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.520 13.294 6.405 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -4.140 12.650 5.342 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.875 12.517 7.356 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -4.117 11.275 5.230 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.848 11.140 7.252 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.471 10.524 6.186 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.451 9.152 6.079 1.00 0.00 O ATOM 0 H TYR A 102 -1.066 14.781 6.489 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.034 15.107 4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.172 15.090 7.499 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.584 15.140 6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.649 13.235 4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.386 12.996 8.191 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.603 10.790 4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.342 10.549 8.001 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.482 8.897 5.133 1.00 0.00 H new ATOM 1630 N GLU A 103 -3.171 17.564 4.265 1.00 0.00 N ATOM 1631 CA GLU A 103 -3.307 19.007 4.075 1.00 0.00 C ATOM 1632 C GLU A 103 -2.019 19.725 4.461 1.00 0.00 C ATOM 1633 O GLU A 103 -2.044 20.846 4.972 1.00 0.00 O ATOM 1634 CB GLU A 103 -4.501 19.571 4.851 1.00 0.00 C ATOM 1635 CG GLU A 103 -5.838 19.044 4.362 1.00 0.00 C ATOM 1636 CD GLU A 103 -5.948 19.074 2.853 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -6.075 20.175 2.277 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -5.891 17.992 2.231 1.00 0.00 O ATOM 0 H GLU A 103 -3.221 17.030 3.398 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.496 19.183 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.387 19.328 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.496 20.658 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.974 18.021 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.642 19.640 4.795 1.00 0.00 H new ATOM 1645 N LYS A 104 -0.899 19.047 4.213 1.00 0.00 N ATOM 1646 CA LYS A 104 0.433 19.606 4.425 1.00 0.00 C ATOM 1647 C LYS A 104 0.647 19.997 5.889 1.00 0.00 C ATOM 1648 O LYS A 104 1.138 21.084 6.194 1.00 0.00 O ATOM 1649 CB LYS A 104 0.655 20.811 3.504 1.00 0.00 C ATOM 1650 CG LYS A 104 2.121 21.160 3.260 1.00 0.00 C ATOM 1651 CD LYS A 104 2.836 20.084 2.453 1.00 0.00 C ATOM 1652 CE LYS A 104 3.662 19.154 3.332 1.00 0.00 C ATOM 1653 NZ LYS A 104 4.825 19.849 3.949 1.00 0.00 N ATOM 0 H LYS A 104 -0.891 18.091 3.858 1.00 0.00 H new ATOM 0 HA LYS A 104 1.166 18.837 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.178 20.612 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.155 21.678 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.184 22.112 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.627 21.292 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.101 19.499 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.486 20.557 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.029 18.742 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.018 18.314 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.539 19.147 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.241 20.508 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.509 20.378 4.787 1.00 0.00 H new ATOM 1667 N THR A 105 0.253 19.114 6.790 1.00 0.00 N ATOM 1668 CA THR A 105 0.529 19.292 8.203 1.00 0.00 C ATOM 1669 C THR A 105 0.762 17.934 8.863 1.00 0.00 C ATOM 1670 O THR A 105 1.910 17.671 9.278 1.00 0.00 O ATOM 1671 CB THR A 105 -0.592 20.090 8.926 1.00 0.00 C ATOM 1672 OG1 THR A 105 -0.364 20.112 10.342 1.00 0.00 O ATOM 1673 CG2 THR A 105 -1.971 19.521 8.635 1.00 0.00 C ATOM 1674 OXT THR A 105 -0.176 17.110 8.906 1.00 0.00 O ATOM 0 H THR A 105 -0.262 18.263 6.565 1.00 0.00 H new ATOM 0 HA THR A 105 1.437 19.888 8.295 1.00 0.00 H new ATOM 0 HB THR A 105 -0.560 21.109 8.540 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.078 20.620 10.781 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.725 20.108 9.160 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.162 19.560 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.016 18.486 8.974 1.00 0.00 H new TER 1682 THR A 105