USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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 69 LYS NZ :NH3+ -125:sc= 0.294 (180deg=0) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -149:sc= -4.32! (180deg=-5.26!) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc=-0.00456 (180deg=-0.112) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.73) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.9!) USER MOD Single : A 73 MET CE :methyl -110:sc= -0.287 (180deg=-1.21) USER MOD Single : A 74 ASN : amide:sc= -0.0395 K(o=-0.04,f=-3.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -3.8 X(o=-3.8,f=-4.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 15:sc= -6.53! USER MOD Single : A 94 SER OG : rot 38:sc= 0.391 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -133:sc= -1.27 (180deg=-3.91!) USER MOD Single : A 108 LYS NZ :NH3+ 179:sc= 0.36 (180deg=0.36) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 45 10.961 8.651 9.672 1.00 0.00 N ATOM 84 CA LYS A 45 9.924 8.400 8.678 1.00 0.00 C ATOM 85 C LYS A 45 10.199 9.179 7.396 1.00 0.00 C ATOM 86 O LYS A 45 10.033 8.657 6.293 1.00 0.00 O ATOM 87 CB LYS A 45 8.551 8.782 9.235 1.00 0.00 C ATOM 88 CG LYS A 45 8.114 7.929 10.414 1.00 0.00 C ATOM 89 CD LYS A 45 6.784 8.399 10.979 1.00 0.00 C ATOM 90 CE LYS A 45 6.603 7.952 12.422 1.00 0.00 C ATOM 91 NZ LYS A 45 7.310 8.852 13.375 1.00 0.00 N ATOM 0 HA LYS A 45 9.931 7.335 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.571 9.828 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.809 8.697 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.030 6.889 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.875 7.966 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.728 9.486 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.970 8.006 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.541 7.929 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.978 6.935 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.162 8.513 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.328 8.854 13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.935 9.818 13.284 1.00 0.00 H new ATOM 105 N VAL A 46 10.621 10.430 7.548 1.00 0.00 N ATOM 106 CA VAL A 46 10.922 11.280 6.402 1.00 0.00 C ATOM 107 C VAL A 46 11.493 10.465 5.248 1.00 0.00 C ATOM 108 O VAL A 46 10.915 10.419 4.163 1.00 0.00 O ATOM 109 CB VAL A 46 11.920 12.392 6.775 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.278 13.221 5.551 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.350 13.272 7.877 1.00 0.00 C ATOM 0 H VAL A 46 10.762 10.878 8.454 1.00 0.00 H new ATOM 0 HA VAL A 46 9.982 11.736 6.090 1.00 0.00 H new ATOM 0 HB VAL A 46 12.832 11.927 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.984 14.002 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.731 12.578 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.376 13.678 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.069 14.052 8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.422 13.730 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.150 12.665 8.760 1.00 0.00 H new ATOM 121 N GLU A 47 12.632 9.823 5.491 1.00 0.00 N ATOM 122 CA GLU A 47 13.282 9.009 4.470 1.00 0.00 C ATOM 123 C GLU A 47 12.277 8.082 3.793 1.00 0.00 C ATOM 124 O GLU A 47 12.075 8.146 2.580 1.00 0.00 O ATOM 125 CB GLU A 47 14.416 8.188 5.087 1.00 0.00 C ATOM 126 CG GLU A 47 15.726 8.948 5.201 1.00 0.00 C ATOM 127 CD GLU A 47 16.467 9.035 3.881 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.219 9.996 3.123 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.295 8.142 3.606 1.00 0.00 O ATOM 0 H GLU A 47 13.123 9.851 6.385 1.00 0.00 H new ATOM 0 HA GLU A 47 13.697 9.679 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.113 7.853 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.576 7.294 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.527 9.955 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.362 8.459 5.939 1.00 0.00 H new ATOM 136 N PHE A 48 11.650 7.219 4.585 1.00 0.00 N ATOM 137 CA PHE A 48 10.667 6.276 4.063 1.00 0.00 C ATOM 138 C PHE A 48 9.621 6.994 3.217 1.00 0.00 C ATOM 139 O PHE A 48 9.429 6.674 2.044 1.00 0.00 O ATOM 140 CB PHE A 48 9.986 5.529 5.211 1.00 0.00 C ATOM 141 CG PHE A 48 9.086 4.417 4.753 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.612 3.285 4.151 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.713 4.504 4.923 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.786 2.262 3.728 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.882 3.483 4.501 1.00 0.00 C ATOM 146 CZ PHE A 48 7.419 2.360 3.904 1.00 0.00 C ATOM 0 H PHE A 48 11.805 7.153 5.591 1.00 0.00 H new ATOM 0 HA PHE A 48 11.189 5.558 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.750 5.118 5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.404 6.238 5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.680 3.202 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.288 5.380 5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.209 1.385 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.814 3.564 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.772 1.560 3.575 1.00 0.00 H new ATOM 156 N ARG A 49 8.946 7.967 3.821 1.00 0.00 N ATOM 157 CA ARG A 49 7.918 8.730 3.124 1.00 0.00 C ATOM 158 C ARG A 49 8.363 9.074 1.705 1.00 0.00 C ATOM 159 O ARG A 49 7.722 8.682 0.730 1.00 0.00 O ATOM 160 CB ARG A 49 7.595 10.013 3.893 1.00 0.00 C ATOM 161 CG ARG A 49 6.250 10.620 3.529 1.00 0.00 C ATOM 162 CD ARG A 49 5.665 11.413 4.687 1.00 0.00 C ATOM 163 NE ARG A 49 4.786 12.485 4.227 1.00 0.00 N ATOM 164 CZ ARG A 49 5.226 13.610 3.674 1.00 0.00 C ATOM 165 NH1 ARG A 49 6.527 13.808 3.512 1.00 0.00 N ATOM 166 NH2 ARG A 49 4.364 14.539 3.280 1.00 0.00 N ATOM 0 H ARG A 49 9.093 8.245 4.791 1.00 0.00 H new ATOM 0 HA ARG A 49 7.021 8.113 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.610 9.799 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.378 10.747 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.366 11.271 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.558 9.828 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.107 10.742 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.474 11.837 5.281 1.00 0.00 H new ATOM 0 HE ARG A 49 3.779 12.363 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.193 13.096 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.862 14.673 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.362 14.390 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.703 15.402 2.856 1.00 0.00 H new ATOM 180 N LYS A 50 9.464 9.809 1.598 1.00 0.00 N ATOM 181 CA LYS A 50 9.997 10.205 0.300 1.00 0.00 C ATOM 182 C LYS A 50 10.007 9.026 -0.667 1.00 0.00 C ATOM 183 O LYS A 50 9.429 9.095 -1.752 1.00 0.00 O ATOM 184 CB LYS A 50 11.413 10.763 0.456 1.00 0.00 C ATOM 185 CG LYS A 50 11.495 11.969 1.376 1.00 0.00 C ATOM 186 CD LYS A 50 12.885 12.124 1.970 1.00 0.00 C ATOM 187 CE LYS A 50 13.864 12.694 0.954 1.00 0.00 C ATOM 188 NZ LYS A 50 13.727 14.171 0.819 1.00 0.00 N ATOM 0 H LYS A 50 10.005 10.143 2.395 1.00 0.00 H new ATOM 0 HA LYS A 50 9.350 10.981 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.063 9.978 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.796 11.040 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.233 12.870 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.765 11.866 2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.839 12.779 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.243 11.155 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.883 12.450 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.697 12.224 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.411 14.520 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.762 14.403 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.912 14.622 1.738 1.00 0.00 H new ATOM 202 N ARG A 51 10.666 7.944 -0.266 1.00 0.00 N ATOM 203 CA ARG A 51 10.751 6.749 -1.098 1.00 0.00 C ATOM 204 C ARG A 51 9.376 6.361 -1.634 1.00 0.00 C ATOM 205 O ARG A 51 9.170 6.284 -2.844 1.00 0.00 O ATOM 206 CB ARG A 51 11.346 5.588 -0.300 1.00 0.00 C ATOM 207 CG ARG A 51 11.597 4.342 -1.133 1.00 0.00 C ATOM 208 CD ARG A 51 12.250 3.242 -0.309 1.00 0.00 C ATOM 209 NE ARG A 51 12.731 2.145 -1.144 1.00 0.00 N ATOM 210 CZ ARG A 51 11.928 1.276 -1.750 1.00 0.00 C ATOM 211 NH1 ARG A 51 10.613 1.377 -1.614 1.00 0.00 N ATOM 212 NH2 ARG A 51 12.441 0.304 -2.493 1.00 0.00 N ATOM 0 H ARG A 51 11.149 7.870 0.629 1.00 0.00 H new ATOM 0 HA ARG A 51 11.402 6.971 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.286 5.910 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.671 5.338 0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.654 3.980 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.236 4.592 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.083 3.659 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.533 2.858 0.416 1.00 0.00 H new ATOM 0 HE ARG A 51 13.738 2.040 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.215 2.123 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.999 0.709 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.452 0.223 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.824 -0.362 -2.958 1.00 0.00 H new ATOM 226 N MET A 52 8.439 6.117 -0.723 1.00 0.00 N ATOM 227 CA MET A 52 7.084 5.737 -1.104 1.00 0.00 C ATOM 228 C MET A 52 6.541 6.670 -2.182 1.00 0.00 C ATOM 229 O MET A 52 5.957 6.220 -3.167 1.00 0.00 O ATOM 230 CB MET A 52 6.163 5.759 0.117 1.00 0.00 C ATOM 231 CG MET A 52 6.282 4.520 0.990 1.00 0.00 C ATOM 232 SD MET A 52 7.941 4.302 1.663 1.00 0.00 S ATOM 233 CE MET A 52 8.684 3.268 0.404 1.00 0.00 C ATOM 0 H MET A 52 8.594 6.176 0.284 1.00 0.00 H new ATOM 0 HA MET A 52 7.117 4.725 -1.507 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.390 6.640 0.718 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.131 5.859 -0.218 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.567 4.588 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.013 3.641 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.428 2.615 0.861 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.913 2.662 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.165 3.896 -0.346 1.00 0.00 H new ATOM 243 N GLU A 53 6.738 7.970 -1.987 1.00 0.00 N ATOM 244 CA GLU A 53 6.266 8.965 -2.942 1.00 0.00 C ATOM 245 C GLU A 53 6.778 8.657 -4.347 1.00 0.00 C ATOM 246 O GLU A 53 6.032 8.737 -5.323 1.00 0.00 O ATOM 247 CB GLU A 53 6.717 10.365 -2.520 1.00 0.00 C ATOM 248 CG GLU A 53 6.160 10.804 -1.175 1.00 0.00 C ATOM 249 CD GLU A 53 6.670 12.167 -0.750 1.00 0.00 C ATOM 250 OE1 GLU A 53 6.197 13.179 -1.309 1.00 0.00 O ATOM 251 OE2 GLU A 53 7.541 12.222 0.143 1.00 0.00 O ATOM 0 H GLU A 53 7.221 8.358 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 53 5.177 8.930 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.806 10.390 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.411 11.082 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.071 10.827 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.427 10.068 -0.417 1.00 0.00 H new ATOM 258 N LYS A 54 8.055 8.304 -4.440 1.00 0.00 N ATOM 259 CA LYS A 54 8.669 7.982 -5.723 1.00 0.00 C ATOM 260 C LYS A 54 8.104 6.682 -6.285 1.00 0.00 C ATOM 261 O LYS A 54 7.713 6.618 -7.450 1.00 0.00 O ATOM 262 CB LYS A 54 10.187 7.867 -5.570 1.00 0.00 C ATOM 263 CG LYS A 54 10.953 8.207 -6.837 1.00 0.00 C ATOM 264 CD LYS A 54 11.038 9.709 -7.051 1.00 0.00 C ATOM 265 CE LYS A 54 11.988 10.057 -8.187 1.00 0.00 C ATOM 266 NZ LYS A 54 13.410 9.824 -7.812 1.00 0.00 N ATOM 0 H LYS A 54 8.686 8.233 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 54 8.440 8.788 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.514 8.529 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.437 6.851 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.958 7.789 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.464 7.743 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.046 10.103 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.375 10.190 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.741 9.458 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.853 11.102 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.032 10.272 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.594 10.235 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.599 8.802 -7.785 1.00 0.00 H new ATOM 280 N GLU A 55 8.063 5.649 -5.450 1.00 0.00 N ATOM 281 CA GLU A 55 7.544 4.351 -5.865 1.00 0.00 C ATOM 282 C GLU A 55 6.109 4.475 -6.370 1.00 0.00 C ATOM 283 O GLU A 55 5.803 4.102 -7.502 1.00 0.00 O ATOM 284 CB GLU A 55 7.605 3.357 -4.704 1.00 0.00 C ATOM 285 CG GLU A 55 9.015 2.912 -4.356 1.00 0.00 C ATOM 286 CD GLU A 55 9.461 1.704 -5.157 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.812 1.877 -6.343 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.458 0.588 -4.598 1.00 0.00 O ATOM 0 H GLU A 55 8.383 5.686 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 55 8.167 3.983 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.149 3.811 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.008 2.480 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.706 3.736 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.066 2.677 -3.293 1.00 0.00 H new ATOM 295 N VAL A 56 5.233 5.000 -5.519 1.00 0.00 N ATOM 296 CA VAL A 56 3.830 5.173 -5.877 1.00 0.00 C ATOM 297 C VAL A 56 3.689 5.870 -7.226 1.00 0.00 C ATOM 298 O VAL A 56 3.068 5.341 -8.148 1.00 0.00 O ATOM 299 CB VAL A 56 3.075 5.987 -4.810 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.661 6.297 -5.276 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.057 5.241 -3.485 1.00 0.00 C ATOM 0 H VAL A 56 5.470 5.313 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 56 3.394 4.176 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 56 3.598 6.932 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.143 6.873 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.701 6.875 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.124 5.365 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.519 5.831 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.559 4.280 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.080 5.076 -3.146 1.00 0.00 H new ATOM 311 N SER A 57 4.272 7.060 -7.335 1.00 0.00 N ATOM 312 CA SER A 57 4.209 7.832 -8.571 1.00 0.00 C ATOM 313 C SER A 57 4.550 6.959 -9.774 1.00 0.00 C ATOM 314 O SER A 57 3.745 6.808 -10.694 1.00 0.00 O ATOM 315 CB SER A 57 5.166 9.023 -8.502 1.00 0.00 C ATOM 316 OG SER A 57 4.827 10.006 -9.464 1.00 0.00 O ATOM 0 H SER A 57 4.793 7.510 -6.583 1.00 0.00 H new ATOM 0 HA SER A 57 3.190 8.201 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.136 9.461 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.188 8.683 -8.670 1.00 0.00 H new ATOM 0 HG SER A 57 5.453 10.757 -9.398 1.00 0.00 H new ATOM 322 N ASP A 58 5.749 6.386 -9.761 1.00 0.00 N ATOM 323 CA ASP A 58 6.198 5.527 -10.850 1.00 0.00 C ATOM 324 C ASP A 58 5.105 4.540 -11.250 1.00 0.00 C ATOM 325 O ASP A 58 4.872 4.302 -12.435 1.00 0.00 O ATOM 326 CB ASP A 58 7.462 4.769 -10.442 1.00 0.00 C ATOM 327 CG ASP A 58 7.843 3.697 -11.444 1.00 0.00 C ATOM 328 OD1 ASP A 58 7.199 2.627 -11.442 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.786 3.927 -12.230 1.00 0.00 O ATOM 0 H ASP A 58 6.427 6.501 -9.008 1.00 0.00 H new ATOM 0 HA ASP A 58 6.424 6.159 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.287 5.474 -10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.308 4.311 -9.465 1.00 0.00 H new ATOM 334 N PHE A 59 4.439 3.967 -10.253 1.00 0.00 N ATOM 335 CA PHE A 59 3.372 3.004 -10.500 1.00 0.00 C ATOM 336 C PHE A 59 2.194 3.667 -11.208 1.00 0.00 C ATOM 337 O PHE A 59 1.587 3.082 -12.105 1.00 0.00 O ATOM 338 CB PHE A 59 2.905 2.379 -9.183 1.00 0.00 C ATOM 339 CG PHE A 59 1.532 1.776 -9.260 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.404 2.572 -9.142 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.369 0.413 -9.450 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.862 2.020 -9.213 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.106 -0.144 -9.522 1.00 0.00 C ATOM 344 CZ PHE A 59 -1.011 0.660 -9.402 1.00 0.00 C ATOM 0 H PHE A 59 4.619 4.153 -9.266 1.00 0.00 H new ATOM 0 HA PHE A 59 3.767 2.220 -11.146 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.615 1.608 -8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.915 3.142 -8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.515 3.636 -8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.238 -0.221 -9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.733 2.652 -9.121 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.008 -1.207 -9.672 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.999 0.226 -9.456 1.00 0.00 H new ATOM 354 N ILE A 60 1.878 4.890 -10.797 1.00 0.00 N ATOM 355 CA ILE A 60 0.773 5.633 -11.392 1.00 0.00 C ATOM 356 C ILE A 60 0.948 5.763 -12.901 1.00 0.00 C ATOM 357 O ILE A 60 0.022 5.498 -13.667 1.00 0.00 O ATOM 358 CB ILE A 60 0.646 7.039 -10.778 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.348 6.941 -9.280 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.442 7.831 -11.488 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.502 8.254 -8.546 1.00 0.00 C ATOM 0 H ILE A 60 2.371 5.388 -10.055 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.136 5.070 -11.181 1.00 0.00 H new ATOM 0 HB ILE A 60 1.593 7.562 -10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.670 6.575 -9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.015 6.204 -8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.520 8.823 -11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.192 7.926 -12.545 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.395 7.312 -11.386 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.275 8.109 -7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.526 8.612 -8.651 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.184 8.989 -8.967 1.00 0.00 H new ATOM 373 N GLN A 61 2.141 6.171 -13.320 1.00 0.00 N ATOM 374 CA GLN A 61 2.438 6.335 -14.738 1.00 0.00 C ATOM 375 C GLN A 61 2.389 4.994 -15.463 1.00 0.00 C ATOM 376 O GLN A 61 1.905 4.904 -16.592 1.00 0.00 O ATOM 377 CB GLN A 61 3.813 6.978 -14.923 1.00 0.00 C ATOM 378 CG GLN A 61 3.951 8.327 -14.235 1.00 0.00 C ATOM 379 CD GLN A 61 5.353 8.895 -14.340 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.170 8.420 -15.129 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.639 9.917 -13.542 1.00 0.00 N ATOM 0 H GLN A 61 2.918 6.394 -12.698 1.00 0.00 H new ATOM 0 HA GLN A 61 1.679 6.988 -15.168 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.576 6.302 -14.536 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.007 7.101 -15.988 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.244 9.030 -14.677 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.683 8.224 -13.184 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.931 10.279 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.567 10.340 -13.568 1.00 0.00 H new ATOM 390 N ASP A 62 2.894 3.954 -14.808 1.00 0.00 N ATOM 391 CA ASP A 62 2.907 2.617 -15.390 1.00 0.00 C ATOM 392 C ASP A 62 1.487 2.111 -15.622 1.00 0.00 C ATOM 393 O ASP A 62 0.786 1.744 -14.678 1.00 0.00 O ATOM 394 CB ASP A 62 3.665 1.649 -14.479 1.00 0.00 C ATOM 395 CG ASP A 62 5.169 1.786 -14.612 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.647 2.927 -14.786 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.867 0.753 -14.543 1.00 0.00 O ATOM 0 H ASP A 62 3.300 4.011 -13.874 1.00 0.00 H new ATOM 0 HA ASP A 62 3.415 2.671 -16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.377 1.829 -13.443 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.374 0.626 -14.718 1.00 0.00 H new ATOM 402 N SER A 63 1.069 2.095 -16.883 1.00 0.00 N ATOM 403 CA SER A 63 -0.270 1.638 -17.239 1.00 0.00 C ATOM 404 C SER A 63 -0.389 0.126 -17.077 1.00 0.00 C ATOM 405 O SER A 63 -1.280 -0.367 -16.387 1.00 0.00 O ATOM 406 CB SER A 63 -0.602 2.036 -18.678 1.00 0.00 C ATOM 407 OG SER A 63 -1.023 3.388 -18.749 1.00 0.00 O ATOM 0 H SER A 63 1.638 2.393 -17.676 1.00 0.00 H new ATOM 0 HA SER A 63 -0.981 2.115 -16.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.274 1.891 -19.310 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.386 1.387 -19.067 1.00 0.00 H new ATOM 0 HG SER A 63 -1.228 3.618 -19.679 1.00 0.00 H new ATOM 413 N GLY A 64 0.517 -0.605 -17.719 1.00 0.00 N ATOM 414 CA GLY A 64 0.497 -2.053 -17.635 1.00 0.00 C ATOM 415 C GLY A 64 0.231 -2.549 -16.227 1.00 0.00 C ATOM 416 O GLY A 64 -0.491 -3.526 -16.033 1.00 0.00 O ATOM 0 H GLY A 64 1.265 -0.220 -18.296 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.270 -2.442 -18.305 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.452 -2.447 -17.981 1.00 0.00 H new ATOM 420 N GLN A 65 0.816 -1.873 -15.244 1.00 0.00 N ATOM 421 CA GLN A 65 0.640 -2.253 -13.847 1.00 0.00 C ATOM 422 C GLN A 65 -0.648 -1.662 -13.281 1.00 0.00 C ATOM 423 O GLN A 65 -0.882 -0.457 -13.373 1.00 0.00 O ATOM 424 CB GLN A 65 1.837 -1.788 -13.015 1.00 0.00 C ATOM 425 CG GLN A 65 3.056 -2.686 -13.150 1.00 0.00 C ATOM 426 CD GLN A 65 3.446 -2.928 -14.595 1.00 0.00 C ATOM 427 OE1 GLN A 65 3.217 -4.008 -15.139 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.039 -1.920 -15.225 1.00 0.00 N ATOM 0 H GLN A 65 1.415 -1.060 -15.388 1.00 0.00 H new ATOM 0 HA GLN A 65 0.573 -3.340 -13.798 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.107 -0.776 -13.315 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.544 -1.742 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.896 -2.234 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.853 -3.642 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.209 -1.042 -14.735 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.324 -2.024 -16.199 1.00 0.00 H new ATOM 437 N ILE A 66 -1.479 -2.519 -12.697 1.00 0.00 N ATOM 438 CA ILE A 66 -2.742 -2.081 -12.116 1.00 0.00 C ATOM 439 C ILE A 66 -2.697 -2.143 -10.593 1.00 0.00 C ATOM 440 O ILE A 66 -3.426 -1.424 -9.909 1.00 0.00 O ATOM 441 CB ILE A 66 -3.919 -2.937 -12.619 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.777 -4.379 -12.127 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.995 -2.894 -14.137 1.00 0.00 C ATOM 444 CD1 ILE A 66 -5.097 -5.104 -11.990 1.00 0.00 C ATOM 0 H ILE A 66 -1.300 -3.520 -12.614 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.894 -1.048 -12.431 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.845 -2.526 -12.217 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.140 -4.929 -12.819 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.271 -4.377 -11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.832 -3.504 -14.477 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.139 -1.865 -14.465 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.068 -3.283 -14.559 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.919 -6.120 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.729 -4.577 -11.275 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.596 -5.138 -12.959 1.00 0.00 H new ATOM 456 N LYS A 67 -1.834 -3.006 -10.066 1.00 0.00 N ATOM 457 CA LYS A 67 -1.690 -3.161 -8.624 1.00 0.00 C ATOM 458 C LYS A 67 -0.230 -3.382 -8.243 1.00 0.00 C ATOM 459 O LYS A 67 0.580 -3.805 -9.068 1.00 0.00 O ATOM 460 CB LYS A 67 -2.541 -4.333 -8.128 1.00 0.00 C ATOM 461 CG LYS A 67 -2.056 -5.686 -8.618 1.00 0.00 C ATOM 462 CD LYS A 67 -2.876 -6.820 -8.027 1.00 0.00 C ATOM 463 CE LYS A 67 -2.915 -8.023 -8.957 1.00 0.00 C ATOM 464 NZ LYS A 67 -1.595 -8.708 -9.034 1.00 0.00 N ATOM 0 H LYS A 67 -1.223 -3.609 -10.617 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.036 -2.243 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.547 -4.331 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.571 -4.186 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.114 -5.722 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.007 -5.816 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.453 -7.115 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.892 -6.474 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.670 -8.728 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.216 -7.702 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.663 -9.522 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.879 -8.043 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.319 -9.038 -8.087 1.00 0.00 H new ATOM 478 N LYS A 68 0.100 -3.096 -6.988 1.00 0.00 N ATOM 479 CA LYS A 68 1.462 -3.266 -6.497 1.00 0.00 C ATOM 480 C LYS A 68 1.462 -3.746 -5.049 1.00 0.00 C ATOM 481 O LYS A 68 0.687 -3.263 -4.224 1.00 0.00 O ATOM 482 CB LYS A 68 2.235 -1.950 -6.609 1.00 0.00 C ATOM 483 CG LYS A 68 3.599 -1.988 -5.943 1.00 0.00 C ATOM 484 CD LYS A 68 4.317 -0.654 -6.067 1.00 0.00 C ATOM 485 CE LYS A 68 4.900 -0.462 -7.459 1.00 0.00 C ATOM 486 NZ LYS A 68 6.190 -1.187 -7.625 1.00 0.00 N ATOM 0 H LYS A 68 -0.558 -2.745 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 68 1.952 -4.021 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.361 -1.701 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.643 -1.151 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.484 -2.244 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.205 -2.772 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.622 0.156 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.115 -0.599 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.186 -0.815 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.054 0.601 -7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.555 -1.031 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.879 -0.832 -6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.038 -2.205 -7.473 1.00 0.00 H new ATOM 500 N LYS A 69 2.337 -4.699 -4.746 1.00 0.00 N ATOM 501 CA LYS A 69 2.440 -5.243 -3.398 1.00 0.00 C ATOM 502 C LYS A 69 3.628 -4.638 -2.656 1.00 0.00 C ATOM 503 O LYS A 69 4.750 -4.626 -3.165 1.00 0.00 O ATOM 504 CB LYS A 69 2.580 -6.766 -3.449 1.00 0.00 C ATOM 505 CG LYS A 69 2.328 -7.446 -2.114 1.00 0.00 C ATOM 506 CD LYS A 69 3.008 -8.803 -2.042 1.00 0.00 C ATOM 507 CE LYS A 69 2.274 -9.745 -1.101 1.00 0.00 C ATOM 508 NZ LYS A 69 1.105 -10.390 -1.762 1.00 0.00 N ATOM 0 H LYS A 69 2.986 -5.111 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 69 1.528 -4.986 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.882 -7.162 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.583 -7.019 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.694 -6.811 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.255 -7.567 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.051 -9.243 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.037 -8.678 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.961 -10.514 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.936 -9.192 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.247 -10.212 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.983 -9.994 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.267 -11.415 -1.831 1.00 0.00 H new ATOM 522 N PHE A 70 3.375 -4.137 -1.452 1.00 0.00 N ATOM 523 CA PHE A 70 4.424 -3.530 -0.641 1.00 0.00 C ATOM 524 C PHE A 70 4.756 -4.407 0.564 1.00 0.00 C ATOM 525 O PHE A 70 3.916 -4.623 1.436 1.00 0.00 O ATOM 526 CB PHE A 70 3.994 -2.139 -0.170 1.00 0.00 C ATOM 527 CG PHE A 70 4.221 -1.064 -1.194 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.498 -0.785 -1.654 1.00 0.00 C ATOM 529 CD2 PHE A 70 3.157 -0.331 -1.695 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.710 0.204 -2.596 1.00 0.00 C ATOM 531 CE2 PHE A 70 3.363 0.659 -2.637 1.00 0.00 C ATOM 532 CZ PHE A 70 4.641 0.928 -3.088 1.00 0.00 C ATOM 0 H PHE A 70 2.453 -4.139 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 70 5.318 -3.437 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.936 -2.163 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.541 -1.886 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.337 -1.347 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.156 -0.536 -1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.710 0.411 -2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.525 1.222 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.804 1.702 -3.823 1.00 0.00 H new ATOM 542 N GLN A 71 5.986 -4.909 0.602 1.00 0.00 N ATOM 543 CA GLN A 71 6.428 -5.763 1.698 1.00 0.00 C ATOM 544 C GLN A 71 6.413 -5.003 3.020 1.00 0.00 C ATOM 545 O GLN A 71 6.810 -3.841 3.101 1.00 0.00 O ATOM 546 CB GLN A 71 7.834 -6.298 1.419 1.00 0.00 C ATOM 547 CG GLN A 71 8.099 -7.662 2.037 1.00 0.00 C ATOM 548 CD GLN A 71 8.506 -7.574 3.494 1.00 0.00 C ATOM 549 OE1 GLN A 71 9.069 -6.571 3.934 1.00 0.00 O ATOM 550 NE2 GLN A 71 8.222 -8.626 4.254 1.00 0.00 N ATOM 0 H GLN A 71 6.694 -4.739 -0.113 1.00 0.00 H new ATOM 0 HA GLN A 71 5.736 -6.602 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.982 -6.362 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.567 -5.587 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.202 -8.276 1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.885 -8.165 1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.754 -9.437 3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.472 -8.623 5.243 1.00 0.00 H new ATOM 559 N PRO A 72 5.944 -5.674 4.083 1.00 0.00 N ATOM 560 CA PRO A 72 5.866 -5.081 5.421 1.00 0.00 C ATOM 561 C PRO A 72 7.243 -4.866 6.041 1.00 0.00 C ATOM 562 O PRO A 72 7.720 -5.694 6.817 1.00 0.00 O ATOM 563 CB PRO A 72 5.075 -6.118 6.223 1.00 0.00 C ATOM 564 CG PRO A 72 5.317 -7.407 5.517 1.00 0.00 C ATOM 565 CD PRO A 72 5.454 -7.062 4.060 1.00 0.00 C ATOM 0 HA PRO A 72 5.405 -4.093 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.416 -6.163 7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.013 -5.873 6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.219 -7.893 5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.492 -8.101 5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.154 -7.727 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.501 -7.143 3.536 1.00 0.00 H new ATOM 573 N MET A 73 7.875 -3.750 5.694 1.00 0.00 N ATOM 574 CA MET A 73 9.196 -3.426 6.219 1.00 0.00 C ATOM 575 C MET A 73 9.104 -2.939 7.662 1.00 0.00 C ATOM 576 O MET A 73 9.914 -3.318 8.507 1.00 0.00 O ATOM 577 CB MET A 73 9.866 -2.360 5.350 1.00 0.00 C ATOM 578 CG MET A 73 10.557 -2.924 4.120 1.00 0.00 C ATOM 579 SD MET A 73 9.453 -3.053 2.701 1.00 0.00 S ATOM 580 CE MET A 73 9.081 -1.327 2.402 1.00 0.00 C ATOM 0 H MET A 73 7.494 -3.055 5.052 1.00 0.00 H new ATOM 0 HA MET A 73 9.800 -4.333 6.199 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.115 -1.636 5.034 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.597 -1.820 5.951 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.404 -2.288 3.860 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.959 -3.910 4.354 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.042 -1.128 2.666 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.736 -0.703 3.010 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.238 -1.098 1.348 1.00 0.00 H new ATOM 590 N ASN A 74 8.113 -2.098 7.936 1.00 0.00 N ATOM 591 CA ASN A 74 7.916 -1.559 9.276 1.00 0.00 C ATOM 592 C ASN A 74 6.478 -1.768 9.741 1.00 0.00 C ATOM 593 O ASN A 74 5.645 -2.294 9.003 1.00 0.00 O ATOM 594 CB ASN A 74 8.261 -0.068 9.305 1.00 0.00 C ATOM 595 CG ASN A 74 9.754 0.178 9.401 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.549 -0.489 8.739 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.143 1.140 10.230 1.00 0.00 N ATOM 0 H ASN A 74 7.433 -1.775 7.247 1.00 0.00 H new ATOM 0 HA ASN A 74 8.580 -2.092 9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.874 0.409 8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.763 0.401 10.154 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.135 1.351 10.337 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.449 1.668 10.759 1.00 0.00 H new ATOM 604 N LYS A 75 6.194 -1.353 10.971 1.00 0.00 N ATOM 605 CA LYS A 75 4.857 -1.493 11.536 1.00 0.00 C ATOM 606 C LYS A 75 4.032 -0.231 11.302 1.00 0.00 C ATOM 607 O LYS A 75 2.802 -0.271 11.314 1.00 0.00 O ATOM 608 CB LYS A 75 4.942 -1.788 13.035 1.00 0.00 C ATOM 609 CG LYS A 75 5.673 -3.079 13.360 1.00 0.00 C ATOM 610 CD LYS A 75 4.798 -4.294 13.103 1.00 0.00 C ATOM 611 CE LYS A 75 3.825 -4.534 14.248 1.00 0.00 C ATOM 612 NZ LYS A 75 3.483 -5.976 14.393 1.00 0.00 N ATOM 0 H LYS A 75 6.872 -0.917 11.596 1.00 0.00 H new ATOM 0 HA LYS A 75 4.364 -2.326 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.447 -0.959 13.532 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.933 -1.838 13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.578 -3.147 12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.985 -3.069 14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.243 -4.154 12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.427 -5.174 12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.261 -4.169 15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.914 -3.960 14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.818 -6.097 15.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.043 -6.318 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.349 -6.521 14.582 1.00 0.00 H new ATOM 626 N ILE A 76 4.718 0.887 11.087 1.00 0.00 N ATOM 627 CA ILE A 76 4.049 2.159 10.847 1.00 0.00 C ATOM 628 C ILE A 76 3.930 2.445 9.354 1.00 0.00 C ATOM 629 O ILE A 76 2.988 3.101 8.911 1.00 0.00 O ATOM 630 CB ILE A 76 4.794 3.324 11.524 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.028 3.017 13.005 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.011 4.619 11.363 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.750 2.894 13.805 1.00 0.00 C ATOM 0 H ILE A 76 5.737 0.937 11.074 1.00 0.00 H new ATOM 0 HA ILE A 76 3.052 2.077 11.279 1.00 0.00 H new ATOM 0 HB ILE A 76 5.763 3.446 11.040 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.592 2.088 13.091 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.644 3.805 13.438 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.551 5.433 11.847 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.892 4.843 10.303 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.029 4.510 11.824 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.992 2.676 14.845 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.195 3.830 13.750 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.142 2.087 13.397 1.00 0.00 H new ATOM 645 N GLU A 77 4.893 1.947 8.584 1.00 0.00 N ATOM 646 CA GLU A 77 4.895 2.149 7.139 1.00 0.00 C ATOM 647 C GLU A 77 3.478 2.080 6.578 1.00 0.00 C ATOM 648 O GLU A 77 3.177 2.684 5.548 1.00 0.00 O ATOM 649 CB GLU A 77 5.777 1.101 6.457 1.00 0.00 C ATOM 650 CG GLU A 77 5.226 -0.312 6.550 1.00 0.00 C ATOM 651 CD GLU A 77 5.611 -1.168 5.358 1.00 0.00 C ATOM 652 OE1 GLU A 77 6.745 -1.011 4.858 1.00 0.00 O ATOM 653 OE2 GLU A 77 4.780 -1.992 4.926 1.00 0.00 O ATOM 0 H GLU A 77 5.680 1.402 8.936 1.00 0.00 H new ATOM 0 HA GLU A 77 5.299 3.141 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.897 1.367 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.770 1.125 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.592 -0.781 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.140 -0.270 6.627 1.00 0.00 H new ATOM 660 N ARG A 78 2.612 1.338 7.261 1.00 0.00 N ATOM 661 CA ARG A 78 1.228 1.188 6.831 1.00 0.00 C ATOM 662 C ARG A 78 0.518 2.538 6.801 1.00 0.00 C ATOM 663 O ARG A 78 -0.071 2.919 5.790 1.00 0.00 O ATOM 664 CB ARG A 78 0.483 0.229 7.761 1.00 0.00 C ATOM 665 CG ARG A 78 -0.972 0.016 7.378 1.00 0.00 C ATOM 666 CD ARG A 78 -1.101 -0.864 6.145 1.00 0.00 C ATOM 667 NE ARG A 78 -1.186 -2.281 6.489 1.00 0.00 N ATOM 668 CZ ARG A 78 -0.129 -3.080 6.581 1.00 0.00 C ATOM 669 NH1 ARG A 78 1.087 -2.604 6.355 1.00 0.00 N ATOM 670 NH2 ARG A 78 -0.288 -4.358 6.900 1.00 0.00 N ATOM 0 H ARG A 78 2.845 0.831 8.115 1.00 0.00 H new ATOM 0 HA ARG A 78 1.231 0.776 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.994 -0.734 7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.529 0.615 8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.505 -0.443 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.444 0.980 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.989 -0.574 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.244 -0.701 5.492 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.108 -2.679 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.213 -1.622 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.897 -3.220 6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.222 -4.728 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.524 -4.971 6.970 1.00 0.00 H new ATOM 684 N SER A 79 0.578 3.257 7.918 1.00 0.00 N ATOM 685 CA SER A 79 -0.062 4.563 8.022 1.00 0.00 C ATOM 686 C SER A 79 0.656 5.591 7.152 1.00 0.00 C ATOM 687 O SER A 79 0.020 6.377 6.449 1.00 0.00 O ATOM 688 CB SER A 79 -0.078 5.033 9.478 1.00 0.00 C ATOM 689 OG SER A 79 -1.203 4.516 10.168 1.00 0.00 O ATOM 0 H SER A 79 1.063 2.957 8.763 1.00 0.00 H new ATOM 0 HA SER A 79 -1.088 4.466 7.668 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.837 4.713 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.096 6.122 9.512 1.00 0.00 H new ATOM 0 HG SER A 79 -1.190 4.829 11.097 1.00 0.00 H new ATOM 695 N ILE A 80 1.983 5.578 7.205 1.00 0.00 N ATOM 696 CA ILE A 80 2.788 6.507 6.422 1.00 0.00 C ATOM 697 C ILE A 80 2.526 6.338 4.929 1.00 0.00 C ATOM 698 O ILE A 80 2.073 7.267 4.258 1.00 0.00 O ATOM 699 CB ILE A 80 4.292 6.316 6.693 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.600 6.552 8.173 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.111 7.255 5.820 1.00 0.00 C ATOM 702 CD1 ILE A 80 5.879 5.890 8.637 1.00 0.00 C ATOM 0 H ILE A 80 2.524 4.934 7.782 1.00 0.00 H new ATOM 0 HA ILE A 80 2.497 7.512 6.728 1.00 0.00 H new ATOM 0 HB ILE A 80 4.563 5.290 6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.669 7.625 8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.769 6.180 8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.172 7.108 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.910 7.044 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.839 8.287 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.034 6.099 9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.806 4.813 8.487 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.720 6.280 8.063 1.00 0.00 H new ATOM 714 N LEU A 81 2.813 5.147 4.415 1.00 0.00 N ATOM 715 CA LEU A 81 2.607 4.855 3.001 1.00 0.00 C ATOM 716 C LEU A 81 1.188 5.215 2.572 1.00 0.00 C ATOM 717 O LEU A 81 0.981 5.812 1.514 1.00 0.00 O ATOM 718 CB LEU A 81 2.876 3.375 2.722 1.00 0.00 C ATOM 719 CG LEU A 81 2.381 2.846 1.375 1.00 0.00 C ATOM 720 CD1 LEU A 81 2.944 3.680 0.234 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.761 1.382 1.206 1.00 0.00 C ATOM 0 H LEU A 81 3.189 4.368 4.956 1.00 0.00 H new ATOM 0 HA LEU A 81 3.306 5.461 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.951 3.203 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.412 2.786 3.514 1.00 0.00 H new ATOM 0 HG LEU A 81 1.294 2.924 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.581 3.289 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.622 4.715 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.033 3.634 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.401 1.022 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.845 1.280 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.309 0.794 2.005 1.00 0.00 H new ATOM 733 N HIS A 82 0.214 4.851 3.399 1.00 0.00 N ATOM 734 CA HIS A 82 -1.186 5.139 3.107 1.00 0.00 C ATOM 735 C HIS A 82 -1.382 6.619 2.792 1.00 0.00 C ATOM 736 O HIS A 82 -2.012 6.973 1.796 1.00 0.00 O ATOM 737 CB HIS A 82 -2.069 4.735 4.287 1.00 0.00 C ATOM 738 CG HIS A 82 -2.583 3.331 4.198 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.087 2.786 3.036 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.667 2.357 5.135 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.461 1.540 3.262 1.00 0.00 C ATOM 742 NE2 HIS A 82 -3.216 1.254 4.528 1.00 0.00 N ATOM 0 H HIS A 82 0.368 4.356 4.277 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.476 4.558 2.231 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.501 4.847 5.210 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.915 5.420 4.348 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -3.160 3.270 2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.360 2.433 6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.894 0.869 2.535 1.00 0.00 H new ATOM 750 N ASP A 83 -0.839 7.477 3.648 1.00 0.00 N ATOM 751 CA ASP A 83 -0.955 8.919 3.462 1.00 0.00 C ATOM 752 C ASP A 83 -0.370 9.342 2.118 1.00 0.00 C ATOM 753 O ASP A 83 -0.972 10.128 1.386 1.00 0.00 O ATOM 754 CB ASP A 83 -0.245 9.660 4.597 1.00 0.00 C ATOM 755 CG ASP A 83 -0.590 11.136 4.629 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.267 11.842 3.652 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.183 11.584 5.633 1.00 0.00 O ATOM 0 H ASP A 83 -0.314 7.200 4.477 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.014 9.178 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.517 9.206 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.833 9.544 4.484 1.00 0.00 H new ATOM 762 N VAL A 84 0.809 8.815 1.799 1.00 0.00 N ATOM 763 CA VAL A 84 1.475 9.137 0.543 1.00 0.00 C ATOM 764 C VAL A 84 0.604 8.769 -0.652 1.00 0.00 C ATOM 765 O VAL A 84 0.530 9.510 -1.632 1.00 0.00 O ATOM 766 CB VAL A 84 2.827 8.409 0.423 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.484 8.720 -0.914 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.742 8.791 1.577 1.00 0.00 C ATOM 0 H VAL A 84 1.322 8.164 2.393 1.00 0.00 H new ATOM 0 HA VAL A 84 1.648 10.213 0.544 1.00 0.00 H new ATOM 0 HB VAL A 84 2.647 7.335 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.438 8.197 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.833 8.392 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.652 9.794 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.693 8.267 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.917 9.867 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.273 8.513 2.521 1.00 0.00 H new ATOM 778 N VAL A 85 -0.056 7.619 -0.564 1.00 0.00 N ATOM 779 CA VAL A 85 -0.925 7.152 -1.638 1.00 0.00 C ATOM 780 C VAL A 85 -2.156 8.040 -1.774 1.00 0.00 C ATOM 781 O VAL A 85 -2.357 8.686 -2.802 1.00 0.00 O ATOM 782 CB VAL A 85 -1.377 5.698 -1.402 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.338 5.254 -2.494 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.174 4.771 -1.329 1.00 0.00 C ATOM 0 H VAL A 85 -0.006 6.993 0.240 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.344 7.199 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.902 5.649 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.646 4.225 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.215 5.901 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.842 5.317 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.512 3.748 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.381 4.821 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.473 5.078 -0.507 1.00 0.00 H new ATOM 794 N GLU A 86 -2.978 8.068 -0.729 1.00 0.00 N ATOM 795 CA GLU A 86 -4.190 8.878 -0.733 1.00 0.00 C ATOM 796 C GLU A 86 -3.919 10.260 -1.319 1.00 0.00 C ATOM 797 O GLU A 86 -4.766 10.834 -2.004 1.00 0.00 O ATOM 798 CB GLU A 86 -4.745 9.013 0.687 1.00 0.00 C ATOM 799 CG GLU A 86 -4.009 10.038 1.533 1.00 0.00 C ATOM 800 CD GLU A 86 -4.794 10.452 2.762 1.00 0.00 C ATOM 801 OE1 GLU A 86 -6.029 10.601 2.653 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.174 10.628 3.831 1.00 0.00 O ATOM 0 H GLU A 86 -2.826 7.539 0.130 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.929 8.377 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.798 9.289 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.695 8.043 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.048 9.626 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.798 10.919 0.927 1.00 0.00 H new ATOM 809 N VAL A 87 -2.732 10.791 -1.042 1.00 0.00 N ATOM 810 CA VAL A 87 -2.348 12.106 -1.541 1.00 0.00 C ATOM 811 C VAL A 87 -2.075 12.067 -3.041 1.00 0.00 C ATOM 812 O VAL A 87 -2.465 12.972 -3.777 1.00 0.00 O ATOM 813 CB VAL A 87 -1.098 12.638 -0.817 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.664 13.971 -1.408 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.362 12.769 0.676 1.00 0.00 C ATOM 0 H VAL A 87 -2.020 10.331 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.185 12.776 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.287 11.924 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.221 14.331 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.431 13.842 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.470 14.697 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.468 13.146 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.188 13.462 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.620 11.793 1.087 1.00 0.00 H new ATOM 825 N ALA A 88 -1.402 11.011 -3.486 1.00 0.00 N ATOM 826 CA ALA A 88 -1.079 10.852 -4.899 1.00 0.00 C ATOM 827 C ALA A 88 -2.339 10.643 -5.731 1.00 0.00 C ATOM 828 O ALA A 88 -2.397 11.031 -6.896 1.00 0.00 O ATOM 829 CB ALA A 88 -0.117 9.688 -5.092 1.00 0.00 C ATOM 0 H ALA A 88 -1.070 10.253 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.598 11.768 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.116 9.580 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.801 9.879 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.578 8.770 -4.727 1.00 0.00 H new ATOM 835 N GLY A 89 -3.348 10.025 -5.123 1.00 0.00 N ATOM 836 CA GLY A 89 -4.594 9.774 -5.824 1.00 0.00 C ATOM 837 C GLY A 89 -4.760 8.318 -6.209 1.00 0.00 C ATOM 838 O GLY A 89 -5.276 8.007 -7.283 1.00 0.00 O ATOM 0 H GLY A 89 -3.325 9.694 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.430 10.077 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.633 10.391 -6.722 1.00 0.00 H new ATOM 842 N LEU A 90 -4.319 7.422 -5.333 1.00 0.00 N ATOM 843 CA LEU A 90 -4.419 5.989 -5.588 1.00 0.00 C ATOM 844 C LEU A 90 -5.111 5.277 -4.430 1.00 0.00 C ATOM 845 O LEU A 90 -5.285 5.846 -3.351 1.00 0.00 O ATOM 846 CB LEU A 90 -3.028 5.392 -5.811 1.00 0.00 C ATOM 847 CG LEU A 90 -2.264 5.908 -7.031 1.00 0.00 C ATOM 848 CD1 LEU A 90 -0.824 5.421 -7.003 1.00 0.00 C ATOM 849 CD2 LEU A 90 -2.953 5.470 -8.316 1.00 0.00 C ATOM 0 H LEU A 90 -3.889 7.662 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.017 5.846 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.426 5.583 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.129 4.310 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.258 6.998 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.295 5.798 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.335 5.784 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.808 4.331 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.396 5.846 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.990 4.381 -8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.967 5.869 -8.339 1.00 0.00 H new ATOM 861 N THR A 91 -5.503 4.027 -4.659 1.00 0.00 N ATOM 862 CA THR A 91 -6.174 3.237 -3.636 1.00 0.00 C ATOM 863 C THR A 91 -5.185 2.346 -2.892 1.00 0.00 C ATOM 864 O THR A 91 -4.199 1.884 -3.465 1.00 0.00 O ATOM 865 CB THR A 91 -7.283 2.357 -4.243 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.253 3.178 -4.903 1.00 0.00 O ATOM 867 CG2 THR A 91 -7.964 1.525 -3.166 1.00 0.00 C ATOM 0 H THR A 91 -5.367 3.541 -5.545 1.00 0.00 H new ATOM 0 HA THR A 91 -6.622 3.942 -2.936 1.00 0.00 H new ATOM 0 HB THR A 91 -6.826 1.682 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.954 2.611 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.743 0.912 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.229 0.880 -2.685 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.409 2.186 -2.422 1.00 0.00 H new ATOM 875 N SER A 92 -5.456 2.109 -1.612 1.00 0.00 N ATOM 876 CA SER A 92 -4.588 1.276 -0.789 1.00 0.00 C ATOM 877 C SER A 92 -5.394 0.539 0.277 1.00 0.00 C ATOM 878 O SER A 92 -6.437 1.016 0.723 1.00 0.00 O ATOM 879 CB SER A 92 -3.505 2.129 -0.126 1.00 0.00 C ATOM 880 OG SER A 92 -2.493 2.479 -1.054 1.00 0.00 O ATOM 0 H SER A 92 -6.270 2.482 -1.123 1.00 0.00 H new ATOM 0 HA SER A 92 -4.114 0.539 -1.436 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.952 3.033 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.065 1.581 0.707 1.00 0.00 H new ATOM 0 HG SER A 92 -2.813 2.314 -1.965 1.00 0.00 H new ATOM 886 N PHE A 93 -4.901 -0.628 0.681 1.00 0.00 N ATOM 887 CA PHE A 93 -5.575 -1.432 1.693 1.00 0.00 C ATOM 888 C PHE A 93 -4.580 -2.329 2.425 1.00 0.00 C ATOM 889 O PHE A 93 -3.438 -2.489 1.994 1.00 0.00 O ATOM 890 CB PHE A 93 -6.671 -2.285 1.052 1.00 0.00 C ATOM 891 CG PHE A 93 -7.936 -1.524 0.773 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.894 -1.361 1.761 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.167 -0.971 -0.476 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.059 -0.661 1.507 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.329 -0.270 -0.736 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.276 -0.115 0.257 1.00 0.00 C ATOM 0 H PHE A 93 -4.038 -1.037 0.323 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.029 -0.754 2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.295 -2.704 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.899 -3.124 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.729 -1.785 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.430 -1.089 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.798 -0.541 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.496 0.156 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.185 0.432 0.056 1.00 0.00 H new ATOM 906 N SER A 94 -5.023 -2.913 3.534 1.00 0.00 N ATOM 907 CA SER A 94 -4.172 -3.791 4.328 1.00 0.00 C ATOM 908 C SER A 94 -4.583 -5.250 4.153 1.00 0.00 C ATOM 909 O SER A 94 -5.672 -5.653 4.561 1.00 0.00 O ATOM 910 CB SER A 94 -4.243 -3.403 5.807 1.00 0.00 C ATOM 911 OG SER A 94 -5.584 -3.380 6.265 1.00 0.00 O ATOM 0 H SER A 94 -5.966 -2.794 3.903 1.00 0.00 H new ATOM 0 HA SER A 94 -3.146 -3.676 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.665 -4.112 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.789 -2.422 5.951 1.00 0.00 H new ATOM 0 HG SER A 94 -6.085 -4.112 5.848 1.00 0.00 H new ATOM 917 N PHE A 95 -3.702 -6.036 3.544 1.00 0.00 N ATOM 918 CA PHE A 95 -3.971 -7.451 3.314 1.00 0.00 C ATOM 919 C PHE A 95 -2.758 -8.302 3.676 1.00 0.00 C ATOM 920 O PHE A 95 -1.657 -8.080 3.173 1.00 0.00 O ATOM 921 CB PHE A 95 -4.355 -7.687 1.851 1.00 0.00 C ATOM 922 CG PHE A 95 -5.419 -6.751 1.353 1.00 0.00 C ATOM 923 CD1 PHE A 95 -6.667 -6.717 1.954 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.171 -5.907 0.283 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.648 -5.857 1.496 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.149 -5.045 -0.179 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.388 -5.020 0.429 1.00 0.00 C ATOM 0 H PHE A 95 -2.796 -5.718 3.201 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.803 -7.746 3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.467 -7.579 1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.702 -8.714 1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.876 -7.369 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.203 -5.922 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.617 -5.840 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.944 -4.392 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.153 -4.347 0.071 1.00 0.00 H new ATOM 937 N GLY A 96 -2.968 -9.278 4.555 1.00 0.00 N ATOM 938 CA GLY A 96 -1.883 -10.147 4.972 1.00 0.00 C ATOM 939 C GLY A 96 -2.307 -11.600 5.062 1.00 0.00 C ATOM 940 O GLY A 96 -3.482 -11.898 5.272 1.00 0.00 O ATOM 0 H GLY A 96 -3.870 -9.482 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.057 -10.056 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.511 -9.819 5.943 1.00 0.00 H new ATOM 944 N GLU A 97 -1.347 -12.505 4.901 1.00 0.00 N ATOM 945 CA GLU A 97 -1.629 -13.935 4.963 1.00 0.00 C ATOM 946 C GLU A 97 -1.676 -14.418 6.409 1.00 0.00 C ATOM 947 O GLU A 97 -2.557 -15.189 6.789 1.00 0.00 O ATOM 948 CB GLU A 97 -0.570 -14.720 4.186 1.00 0.00 C ATOM 949 CG GLU A 97 -0.713 -14.607 2.677 1.00 0.00 C ATOM 950 CD GLU A 97 -2.154 -14.718 2.218 1.00 0.00 C ATOM 951 OE1 GLU A 97 -2.667 -15.854 2.145 1.00 0.00 O ATOM 952 OE2 GLU A 97 -2.769 -13.669 1.932 1.00 0.00 O ATOM 0 H GLU A 97 -0.369 -12.274 4.727 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.605 -14.107 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.419 -14.365 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.628 -15.771 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.303 -13.652 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.122 -15.389 2.200 1.00 0.00 H new ATOM 959 N ASP A 98 -0.722 -13.959 7.211 1.00 0.00 N ATOM 960 CA ASP A 98 -0.653 -14.343 8.617 1.00 0.00 C ATOM 961 C ASP A 98 -0.795 -13.123 9.521 1.00 0.00 C ATOM 962 O ASP A 98 -0.237 -12.062 9.240 1.00 0.00 O ATOM 963 CB ASP A 98 0.666 -15.059 8.908 1.00 0.00 C ATOM 964 CG ASP A 98 0.915 -15.232 10.394 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.061 -15.475 11.134 1.00 0.00 O ATOM 966 OD2 ASP A 98 2.085 -15.124 10.816 1.00 0.00 O ATOM 0 H ASP A 98 0.015 -13.320 6.912 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.479 -15.023 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.659 -16.037 8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.488 -14.494 8.468 1.00 0.00 H new ATOM 971 N ASP A 99 -1.545 -13.281 10.606 1.00 0.00 N ATOM 972 CA ASP A 99 -1.761 -12.192 11.552 1.00 0.00 C ATOM 973 C ASP A 99 -0.454 -11.462 11.846 1.00 0.00 C ATOM 974 O ASP A 99 -0.417 -10.232 11.900 1.00 0.00 O ATOM 975 CB ASP A 99 -2.364 -12.728 12.851 1.00 0.00 C ATOM 976 CG ASP A 99 -3.842 -13.039 12.717 1.00 0.00 C ATOM 977 OD1 ASP A 99 -4.505 -12.417 11.861 1.00 0.00 O ATOM 978 OD2 ASP A 99 -4.336 -13.905 13.469 1.00 0.00 O ATOM 0 H ASP A 99 -2.014 -14.153 10.852 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.458 -11.485 11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.831 -13.631 13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.220 -11.995 13.645 1.00 0.00 H new ATOM 983 N ASP A 100 0.615 -12.227 12.038 1.00 0.00 N ATOM 984 CA ASP A 100 1.924 -11.653 12.328 1.00 0.00 C ATOM 985 C ASP A 100 2.463 -10.893 11.120 1.00 0.00 C ATOM 986 O ASP A 100 3.021 -9.804 11.258 1.00 0.00 O ATOM 987 CB ASP A 100 2.907 -12.751 12.736 1.00 0.00 C ATOM 988 CG ASP A 100 2.328 -13.688 13.778 1.00 0.00 C ATOM 989 OD1 ASP A 100 2.476 -13.398 14.984 1.00 0.00 O ATOM 990 OD2 ASP A 100 1.728 -14.711 13.387 1.00 0.00 O ATOM 0 H ASP A 100 0.601 -13.246 11.998 1.00 0.00 H new ATOM 0 HA ASP A 100 1.811 -10.952 13.155 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.193 -13.325 11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.816 -12.294 13.127 1.00 0.00 H new ATOM 995 N CYS A 101 2.294 -11.475 9.938 1.00 0.00 N ATOM 996 CA CYS A 101 2.766 -10.853 8.705 1.00 0.00 C ATOM 997 C CYS A 101 1.625 -10.144 7.983 1.00 0.00 C ATOM 998 O CYS A 101 0.721 -10.786 7.449 1.00 0.00 O ATOM 999 CB CYS A 101 3.392 -11.904 7.787 1.00 0.00 C ATOM 1000 SG CYS A 101 5.023 -12.472 8.322 1.00 0.00 S ATOM 0 H CYS A 101 1.834 -12.376 9.807 1.00 0.00 H new ATOM 0 HA CYS A 101 3.522 -10.113 8.966 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.722 -12.762 7.725 1.00 0.00 H new ATOM 0 HB3 CYS A 101 3.475 -11.490 6.782 1.00 0.00 H new ATOM 0 HG CYS A 101 5.469 -13.360 7.484 1.00 0.00 H new ATOM 1006 N ARG A 102 1.673 -8.816 7.972 1.00 0.00 N ATOM 1007 CA ARG A 102 0.642 -8.019 7.317 1.00 0.00 C ATOM 1008 C ARG A 102 1.261 -7.040 6.324 1.00 0.00 C ATOM 1009 O ARG A 102 1.899 -6.062 6.715 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.179 -7.256 8.358 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.620 -7.014 7.938 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.518 -8.176 8.331 1.00 0.00 C ATOM 1013 NE ARG A 102 -2.832 -8.167 9.757 1.00 0.00 N ATOM 1014 CZ ARG A 102 -3.918 -8.731 10.274 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -4.788 -9.346 9.486 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -4.134 -8.680 11.583 1.00 0.00 N ATOM 0 H ARG A 102 2.415 -8.269 8.409 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.015 -8.696 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.171 -7.813 9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.300 -6.297 8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.986 -6.097 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.666 -6.866 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.443 -8.130 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.029 -9.115 8.073 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.182 -7.702 10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.625 -9.387 8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.621 -9.778 9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.466 -8.208 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.968 -9.113 11.980 1.00 0.00 H new ATOM 1030 N TYR A 103 1.068 -7.310 5.038 1.00 0.00 N ATOM 1031 CA TYR A 103 1.609 -6.455 3.988 1.00 0.00 C ATOM 1032 C TYR A 103 0.562 -5.456 3.505 1.00 0.00 C ATOM 1033 O TYR A 103 -0.628 -5.600 3.787 1.00 0.00 O ATOM 1034 CB TYR A 103 2.102 -7.302 2.814 1.00 0.00 C ATOM 1035 CG TYR A 103 0.990 -7.996 2.059 1.00 0.00 C ATOM 1036 CD1 TYR A 103 0.125 -7.279 1.243 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.806 -9.369 2.162 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -0.893 -7.908 0.552 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.208 -10.008 1.474 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.055 -9.273 0.671 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.066 -9.904 -0.016 1.00 0.00 O ATOM 0 H TYR A 103 0.541 -8.114 4.697 1.00 0.00 H new ATOM 0 HA TYR A 103 2.450 -5.900 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.656 -6.665 2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.800 -8.052 3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.250 -6.211 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.467 -9.947 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.558 -7.335 -0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.336 -11.077 1.565 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.042 -10.865 0.176 1.00 0.00 H new ATOM 1051 N VAL A 104 1.013 -4.442 2.773 1.00 0.00 N ATOM 1052 CA VAL A 104 0.117 -3.420 2.248 1.00 0.00 C ATOM 1053 C VAL A 104 0.114 -3.422 0.723 1.00 0.00 C ATOM 1054 O VAL A 104 1.167 -3.492 0.091 1.00 0.00 O ATOM 1055 CB VAL A 104 0.511 -2.017 2.748 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.925 -1.671 2.307 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.481 -0.976 2.250 1.00 0.00 C ATOM 0 H VAL A 104 1.994 -4.307 2.530 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.883 -3.659 2.611 1.00 0.00 H new ATOM 0 HB VAL A 104 0.486 -2.018 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.186 -0.677 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.623 -2.401 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.981 -1.687 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.187 0.009 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.490 -0.974 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.478 -1.217 2.620 1.00 0.00 H new ATOM 1067 N MET A 105 -1.077 -3.344 0.139 1.00 0.00 N ATOM 1068 CA MET A 105 -1.217 -3.335 -1.312 1.00 0.00 C ATOM 1069 C MET A 105 -1.839 -2.026 -1.790 1.00 0.00 C ATOM 1070 O MET A 105 -2.436 -1.289 -1.005 1.00 0.00 O ATOM 1071 CB MET A 105 -2.073 -4.517 -1.771 1.00 0.00 C ATOM 1072 CG MET A 105 -1.262 -5.757 -2.112 1.00 0.00 C ATOM 1073 SD MET A 105 -0.730 -5.787 -3.835 1.00 0.00 S ATOM 1074 CE MET A 105 -1.970 -6.861 -4.554 1.00 0.00 C ATOM 0 H MET A 105 -1.959 -3.286 0.648 1.00 0.00 H new ATOM 0 HA MET A 105 -0.222 -3.425 -1.748 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.787 -4.764 -0.986 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.651 -4.219 -2.646 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.386 -5.803 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.859 -6.645 -1.905 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.485 -7.607 -5.183 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.523 -7.361 -3.759 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.658 -6.269 -5.158 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.695 -1.745 -3.081 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.244 -0.526 -3.662 1.00 0.00 C ATOM 1086 C ILE A 106 -2.884 -0.803 -5.018 1.00 0.00 C ATOM 1087 O ILE A 106 -2.388 -1.620 -5.795 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.160 0.555 -3.830 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.047 0.053 -4.753 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.593 0.952 -2.475 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.726 1.165 -5.428 1.00 0.00 C ATOM 0 H ILE A 106 -1.203 -2.344 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.005 -0.162 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.614 1.436 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.644 -0.560 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.482 -0.591 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.172 1.717 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.392 1.346 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.152 0.078 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.498 0.736 -6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.047 1.765 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.191 1.797 -4.671 1.00 0.00 H new ATOM 1103 N PHE A 107 -3.987 -0.117 -5.297 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.696 -0.289 -6.560 1.00 0.00 C ATOM 1105 C PHE A 107 -4.892 1.053 -7.260 1.00 0.00 C ATOM 1106 O PHE A 107 -4.754 2.112 -6.648 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.052 -0.956 -6.322 1.00 0.00 C ATOM 1108 CG PHE A 107 -5.947 -2.400 -5.922 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.222 -2.771 -4.801 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.574 -3.386 -6.667 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.124 -4.099 -4.432 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.480 -4.716 -6.301 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.754 -5.073 -5.182 1.00 0.00 C ATOM 0 H PHE A 107 -4.410 0.563 -4.666 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.092 -0.930 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.585 -0.410 -5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.649 -0.881 -7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.728 -2.014 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.143 -3.112 -7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.555 -4.376 -3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.974 -5.475 -6.890 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.679 -6.111 -4.894 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.215 1.000 -8.548 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.432 2.209 -9.333 1.00 0.00 C ATOM 1125 C LYS A 108 -6.887 2.658 -9.250 1.00 0.00 C ATOM 1126 O LYS A 108 -7.733 1.958 -8.693 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.043 1.970 -10.794 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.591 2.294 -11.098 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.324 2.308 -12.594 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.066 3.095 -12.928 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.075 3.583 -14.335 1.00 0.00 N ATOM 0 H LYS A 108 -5.332 0.132 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.803 2.998 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.234 0.927 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.683 2.575 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.337 3.265 -10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.945 1.558 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.221 1.285 -12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.177 2.746 -13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.978 3.944 -12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.191 2.466 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.209 4.129 -14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.117 2.771 -14.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.906 4.190 -14.487 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.173 3.829 -9.809 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.527 4.371 -9.802 1.00 0.00 C ATOM 1147 C LYS A 109 -9.475 3.478 -10.595 1.00 0.00 C ATOM 1148 O LYS A 109 -10.523 3.072 -10.095 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.535 5.786 -10.384 1.00 0.00 C ATOM 1150 CG LYS A 109 -9.917 6.412 -10.442 1.00 0.00 C ATOM 1151 CD LYS A 109 -9.844 7.900 -10.741 1.00 0.00 C ATOM 1152 CE LYS A 109 -9.485 8.701 -9.499 1.00 0.00 C ATOM 1153 NZ LYS A 109 -9.999 10.097 -9.571 1.00 0.00 N ATOM 0 H LYS A 109 -6.485 4.422 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.871 4.408 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.883 6.420 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.115 5.759 -11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.511 5.915 -11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.428 6.256 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.102 8.080 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.803 8.241 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.895 8.208 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.402 8.719 -9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.734 10.610 -8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.588 10.576 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.035 10.081 -9.660 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.098 3.176 -11.834 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.916 2.330 -12.695 1.00 0.00 C ATOM 1169 C GLU A 110 -9.802 0.864 -12.285 1.00 0.00 C ATOM 1170 O GLU A 110 -10.789 0.128 -12.290 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.496 2.496 -14.157 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.568 2.079 -15.150 1.00 0.00 C ATOM 1173 CD GLU A 110 -10.244 2.499 -16.570 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -9.241 1.999 -17.121 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -10.992 3.327 -17.131 1.00 0.00 O ATOM 0 H GLU A 110 -8.233 3.504 -12.263 1.00 0.00 H new ATOM 0 HA GLU A 110 -10.955 2.640 -12.585 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.234 3.539 -14.335 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.597 1.907 -14.337 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.689 0.996 -15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.522 2.517 -14.854 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.591 0.447 -11.931 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.347 -0.930 -11.520 1.00 0.00 C ATOM 1184 C PHE A 111 -8.587 -1.101 -10.023 1.00 0.00 C ATOM 1185 O PHE A 111 -8.134 -2.073 -9.418 1.00 0.00 O ATOM 1186 CB PHE A 111 -6.915 -1.343 -11.868 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.552 -1.092 -13.304 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.305 -1.642 -14.329 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.458 -0.307 -13.629 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.972 -1.414 -15.651 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.120 -0.074 -14.949 1.00 0.00 C ATOM 1192 CZ PHE A 111 -5.879 -0.628 -15.961 1.00 0.00 C ATOM 0 H PHE A 111 -7.763 1.043 -11.921 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.044 -1.572 -12.058 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.222 -0.799 -11.226 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.787 -2.403 -11.649 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.162 -2.256 -14.092 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.861 0.129 -12.841 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.566 -1.850 -16.441 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.264 0.540 -15.188 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.618 -0.447 -16.993 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.302 -0.150 -9.432 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.605 -0.196 -8.007 1.00 0.00 C ATOM 1204 C ALA A 112 -10.608 -1.301 -7.693 1.00 0.00 C ATOM 1205 O ALA A 112 -11.517 -1.586 -8.472 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.135 1.151 -7.536 1.00 0.00 C ATOM 0 H ALA A 112 -9.682 0.662 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.682 -0.418 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.357 1.102 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.384 1.920 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.044 1.396 -8.085 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.440 -1.939 -6.525 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.322 -3.023 -6.082 1.00 0.00 C ATOM 1214 C PRO A 113 -12.717 -2.525 -5.722 1.00 0.00 C ATOM 1215 O PRO A 113 -12.915 -1.339 -5.459 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.613 -3.572 -4.842 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.801 -2.431 -4.333 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.378 -1.651 -5.547 1.00 0.00 C ATOM 0 HA PRO A 113 -11.479 -3.766 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.330 -3.912 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.983 -4.426 -5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.384 -1.810 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.934 -2.787 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.306 -0.584 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.401 -1.970 -5.909 1.00 0.00 H new ATOM 1226 N SER A 114 -13.682 -3.439 -5.711 1.00 0.00 N ATOM 1227 CA SER A 114 -15.061 -3.092 -5.386 1.00 0.00 C ATOM 1228 C SER A 114 -15.347 -3.331 -3.907 1.00 0.00 C ATOM 1229 O SER A 114 -14.623 -4.066 -3.234 1.00 0.00 O ATOM 1230 CB SER A 114 -16.030 -3.907 -6.243 1.00 0.00 C ATOM 1231 OG SER A 114 -16.304 -3.250 -7.469 1.00 0.00 O ATOM 0 H SER A 114 -13.534 -4.426 -5.923 1.00 0.00 H new ATOM 0 HA SER A 114 -15.203 -2.032 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.605 -4.891 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.959 -4.065 -5.696 1.00 0.00 H new ATOM 0 HG SER A 114 -16.925 -3.792 -7.999 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.407 -2.706 -3.407 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.791 -2.851 -2.008 1.00 0.00 C ATOM 1239 C ASP A 115 -16.951 -4.323 -1.638 1.00 0.00 C ATOM 1240 O ASP A 115 -16.174 -4.862 -0.850 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.095 -2.100 -1.734 1.00 0.00 C ATOM 1242 CG ASP A 115 -17.955 -0.604 -1.942 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -16.978 -0.022 -1.427 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.823 -0.017 -2.620 1.00 0.00 O ATOM 0 H ASP A 115 -17.016 -2.094 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 115 -15.998 -2.424 -1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.877 -2.484 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.414 -2.293 -0.710 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.963 -4.966 -2.211 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.225 -6.374 -1.939 1.00 0.00 C ATOM 1251 C GLU A 116 -16.971 -7.214 -2.166 1.00 0.00 C ATOM 1252 O GLU A 116 -16.620 -8.058 -1.342 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.362 -6.885 -2.827 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.744 -6.494 -2.332 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.296 -7.469 -1.310 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.489 -8.142 -0.636 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.535 -7.559 -1.186 1.00 0.00 O ATOM 0 H GLU A 116 -18.615 -4.534 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.520 -6.467 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.224 -6.499 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.302 -7.972 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.699 -5.498 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.427 -6.437 -3.180 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.302 -6.976 -3.290 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.088 -7.712 -3.625 1.00 0.00 C ATOM 1266 C GLU A 117 -14.041 -7.564 -2.525 1.00 0.00 C ATOM 1267 O GLU A 117 -13.376 -8.532 -2.151 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.518 -7.219 -4.957 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.506 -7.299 -6.109 1.00 0.00 C ATOM 1270 CD GLU A 117 -14.892 -6.889 -7.433 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -13.917 -6.108 -7.418 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -15.385 -7.349 -8.484 1.00 0.00 O ATOM 0 H GLU A 117 -16.579 -6.281 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.347 -8.767 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.190 -6.186 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.635 -7.808 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.884 -8.318 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.361 -6.657 -5.895 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.899 -6.348 -2.011 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.932 -6.072 -0.954 1.00 0.00 C ATOM 1281 C LEU A 118 -13.178 -6.968 0.256 1.00 0.00 C ATOM 1282 O LEU A 118 -12.262 -7.626 0.749 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.008 -4.602 -0.538 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.281 -3.609 -1.446 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.650 -2.180 -1.079 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.775 -3.811 -1.359 1.00 0.00 C ATOM 0 H LEU A 118 -14.441 -5.537 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.936 -6.282 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.058 -4.314 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.601 -4.509 0.469 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.594 -3.791 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.123 -1.488 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.725 -2.041 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.367 -1.985 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.274 -3.096 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.446 -3.657 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.525 -4.825 -1.672 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.420 -6.989 0.727 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.787 -7.807 1.877 1.00 0.00 C ATOM 1300 C ASP A 119 -14.404 -9.266 1.651 1.00 0.00 C ATOM 1301 O ASP A 119 -13.886 -9.929 2.550 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.288 -7.697 2.150 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.661 -8.181 3.537 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.129 -7.628 4.522 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.487 -9.112 3.638 1.00 0.00 O ATOM 0 H ASP A 119 -15.189 -6.449 0.330 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.240 -7.437 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.600 -6.659 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.833 -8.279 1.407 1.00 0.00 H new ATOM 1310 N SER A 120 -14.663 -9.761 0.445 1.00 0.00 N ATOM 1311 CA SER A 120 -14.350 -11.143 0.102 1.00 0.00 C ATOM 1312 C SER A 120 -12.841 -11.353 0.018 1.00 0.00 C ATOM 1313 O SER A 120 -12.316 -12.359 0.496 1.00 0.00 O ATOM 1314 CB SER A 120 -15.004 -11.521 -1.229 1.00 0.00 C ATOM 1315 OG SER A 120 -16.352 -11.914 -1.041 1.00 0.00 O ATOM 0 H SER A 120 -15.089 -9.225 -0.311 1.00 0.00 H new ATOM 0 HA SER A 120 -14.746 -11.786 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.961 -10.673 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.446 -12.334 -1.694 1.00 0.00 H new ATOM 0 HG SER A 120 -16.748 -12.149 -1.906 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.150 -10.397 -0.593 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.702 -10.478 -0.742 1.00 0.00 C ATOM 1323 C TYR A 121 -10.031 -10.767 0.598 1.00 0.00 C ATOM 1324 O TYR A 121 -9.166 -11.637 0.697 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.156 -9.175 -1.328 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.221 -9.116 -2.838 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.486 -10.000 -3.619 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.016 -8.177 -3.483 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.542 -9.949 -4.999 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.079 -8.120 -4.861 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.340 -9.008 -5.615 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.399 -8.954 -6.989 1.00 0.00 O ATOM 0 H TYR A 121 -12.569 -9.557 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.477 -11.298 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.718 -8.337 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.120 -9.050 -1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.861 -10.739 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.595 -7.479 -2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.964 -10.642 -5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.703 -7.384 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.007 -8.236 -7.262 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.438 -10.030 1.626 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.877 -10.205 2.960 1.00 0.00 C ATOM 1344 C ARG A 122 -10.300 -11.544 3.557 1.00 0.00 C ATOM 1345 O ARG A 122 -9.488 -12.257 4.146 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.320 -9.063 3.877 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.460 -7.816 3.756 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.037 -6.662 4.561 1.00 0.00 C ATOM 1349 NE ARG A 122 -9.869 -6.859 5.998 1.00 0.00 N ATOM 1350 CZ ARG A 122 -10.719 -7.549 6.750 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -11.791 -8.107 6.202 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -10.498 -7.684 8.051 1.00 0.00 N ATOM 0 H ARG A 122 -11.154 -9.306 1.561 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.790 -10.192 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.354 -8.805 3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.299 -9.409 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.450 -8.034 4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.382 -7.527 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -9.550 -5.733 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.097 -6.554 4.331 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.054 -6.444 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.963 -8.006 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.443 -8.637 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.674 -7.258 8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -11.152 -8.214 8.627 1.00 0.00 H new