USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc=-0.00571 (180deg=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= 1.18 (180deg=0.137) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.32 K(o=-1.3,f=-9.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 31 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.7) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -170:sc= -1.89 USER MOD Single : A 46 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-5.2!) USER MOD Single : A 47 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.0049) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0.112 K(o=0.11,f=-1.7!) USER MOD Single : A 61 ASN : amide:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 64 THR OG1 : rot 110:sc= 0.168 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.66 F(o=-2.3,f=-1.7) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.046 8.128 7.080 1.00 0.00 N ATOM 60 CA GLY A 7 6.909 7.586 6.359 1.00 0.00 C ATOM 61 C GLY A 7 6.116 8.659 5.638 1.00 0.00 C ATOM 62 O GLY A 7 6.220 9.842 5.961 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.259 6.849 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.256 7.063 7.057 1.00 0.00 H new ATOM 66 N THR A 8 5.321 8.245 4.656 1.00 0.00 N ATOM 67 CA THR A 8 4.510 9.179 3.885 1.00 0.00 C ATOM 68 C THR A 8 3.070 8.691 3.770 1.00 0.00 C ATOM 69 O THR A 8 2.784 7.733 3.052 1.00 0.00 O ATOM 70 CB THR A 8 5.084 9.387 2.470 1.00 0.00 C ATOM 71 OG1 THR A 8 6.420 9.894 2.554 1.00 0.00 O ATOM 72 CG2 THR A 8 4.219 10.350 1.672 1.00 0.00 C ATOM 0 H THR A 8 5.222 7.269 4.376 1.00 0.00 H new ATOM 0 HA THR A 8 4.528 10.129 4.419 1.00 0.00 H new ATOM 0 HB THR A 8 5.093 8.424 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.779 10.022 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.644 10.481 0.677 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.210 9.947 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.182 11.313 2.181 1.00 0.00 H new ATOM 80 N LEU A 9 2.167 9.357 4.482 1.00 0.00 N ATOM 81 CA LEU A 9 0.755 8.991 4.459 1.00 0.00 C ATOM 82 C LEU A 9 0.104 9.412 3.145 1.00 0.00 C ATOM 83 O LEU A 9 0.077 10.595 2.804 1.00 0.00 O ATOM 84 CB LEU A 9 0.021 9.639 5.635 1.00 0.00 C ATOM 85 CG LEU A 9 -1.333 9.029 5.999 1.00 0.00 C ATOM 86 CD1 LEU A 9 -2.142 8.738 4.745 1.00 0.00 C ATOM 87 CD2 LEU A 9 -1.143 7.761 6.820 1.00 0.00 C ATOM 0 H LEU A 9 2.387 10.152 5.082 1.00 0.00 H new ATOM 0 HA LEU A 9 0.685 7.907 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.667 9.590 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.128 10.695 5.407 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.884 9.750 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.102 8.304 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.308 9.665 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.596 8.036 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.117 7.340 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.572 7.035 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.604 7.999 7.737 1.00 0.00 H new ATOM 99 N VAL A 10 -0.421 8.436 2.412 1.00 0.00 N ATOM 100 CA VAL A 10 -1.075 8.705 1.136 1.00 0.00 C ATOM 101 C VAL A 10 -2.565 8.389 1.205 1.00 0.00 C ATOM 102 O VAL A 10 -2.967 7.363 1.754 1.00 0.00 O ATOM 103 CB VAL A 10 -0.440 7.887 -0.004 1.00 0.00 C ATOM 104 CG1 VAL A 10 -1.146 8.169 -1.321 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.047 8.189 -0.111 1.00 0.00 C ATOM 0 H VAL A 10 -0.407 7.452 2.679 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.941 9.767 0.929 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.557 6.827 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.684 7.582 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.198 7.898 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.063 9.230 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.480 7.603 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.189 9.250 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.539 7.931 0.827 1.00 0.00 H new ATOM 115 N ARG A 11 -3.379 9.276 0.644 1.00 0.00 N ATOM 116 CA ARG A 11 -4.825 9.093 0.642 1.00 0.00 C ATOM 117 C ARG A 11 -5.324 8.719 -0.751 1.00 0.00 C ATOM 118 O ARG A 11 -5.472 9.579 -1.620 1.00 0.00 O ATOM 119 CB ARG A 11 -5.524 10.367 1.121 1.00 0.00 C ATOM 120 CG ARG A 11 -7.037 10.320 0.984 1.00 0.00 C ATOM 121 CD ARG A 11 -7.715 11.254 1.974 1.00 0.00 C ATOM 122 NE ARG A 11 -8.986 11.762 1.465 1.00 0.00 N ATOM 123 CZ ARG A 11 -9.734 12.649 2.111 1.00 0.00 C ATOM 124 NH1 ARG A 11 -9.341 13.124 3.285 1.00 0.00 N ATOM 125 NH2 ARG A 11 -10.879 13.063 1.583 1.00 0.00 N ATOM 0 H ARG A 11 -3.062 10.130 0.184 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.063 8.278 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.268 10.541 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.142 11.216 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.320 10.597 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.387 9.300 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.885 10.726 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.052 12.091 2.195 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.317 11.417 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.462 12.808 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.918 13.805 3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.185 12.700 0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.453 13.744 2.080 1.00 0.00 H new ATOM 139 N VAL A 12 -5.581 7.431 -0.957 1.00 0.00 N ATOM 140 CA VAL A 12 -6.064 6.944 -2.244 1.00 0.00 C ATOM 141 C VAL A 12 -7.582 6.812 -2.247 1.00 0.00 C ATOM 142 O VAL A 12 -8.133 5.837 -1.734 1.00 0.00 O ATOM 143 CB VAL A 12 -5.440 5.581 -2.597 1.00 0.00 C ATOM 144 CG1 VAL A 12 -6.027 5.045 -3.894 1.00 0.00 C ATOM 145 CG2 VAL A 12 -3.926 5.698 -2.697 1.00 0.00 C ATOM 0 H VAL A 12 -5.463 6.706 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.765 7.677 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.676 4.876 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.574 4.081 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.104 4.922 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.824 5.747 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.502 4.726 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.667 6.418 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.523 6.035 -1.742 1.00 0.00 H new ATOM 155 N LYS A 13 -8.256 7.799 -2.828 1.00 0.00 N ATOM 156 CA LYS A 13 -9.712 7.793 -2.901 1.00 0.00 C ATOM 157 C LYS A 13 -10.207 6.671 -3.807 1.00 0.00 C ATOM 158 O LYS A 13 -9.527 6.278 -4.755 1.00 0.00 O ATOM 159 CB LYS A 13 -10.222 9.141 -3.415 1.00 0.00 C ATOM 160 CG LYS A 13 -11.608 9.501 -2.907 1.00 0.00 C ATOM 161 CD LYS A 13 -12.695 8.962 -3.822 1.00 0.00 C ATOM 162 CE LYS A 13 -13.044 9.957 -4.918 1.00 0.00 C ATOM 163 NZ LYS A 13 -13.811 11.119 -4.389 1.00 0.00 N ATOM 0 H LYS A 13 -7.816 8.614 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.101 7.623 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.522 9.922 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.237 9.123 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.744 9.099 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.699 10.585 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.363 8.026 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.586 8.736 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.128 10.311 -5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.629 9.457 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.287 11.607 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.522 10.785 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.160 11.778 -3.915 1.00 0.00 H new ATOM 177 N LYS A 14 -11.397 6.159 -3.510 1.00 0.00 N ATOM 178 CA LYS A 14 -11.986 5.083 -4.299 1.00 0.00 C ATOM 179 C LYS A 14 -12.538 5.615 -5.617 1.00 0.00 C ATOM 180 O LYS A 14 -13.721 5.455 -5.915 1.00 0.00 O ATOM 181 CB LYS A 14 -13.100 4.394 -3.508 1.00 0.00 C ATOM 182 CG LYS A 14 -12.643 3.838 -2.170 1.00 0.00 C ATOM 183 CD LYS A 14 -13.601 2.780 -1.650 1.00 0.00 C ATOM 184 CE LYS A 14 -13.568 2.698 -0.131 1.00 0.00 C ATOM 185 NZ LYS A 14 -14.859 2.205 0.425 1.00 0.00 N ATOM 0 H LYS A 14 -11.973 6.472 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.203 4.357 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.908 5.106 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.511 3.582 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.647 3.408 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.566 4.648 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.614 3.010 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.339 1.810 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.761 2.034 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.347 3.683 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.118 2.772 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.603 2.290 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.759 1.208 0.703 1.00 0.00 H new ATOM 199 N SER A 15 -11.672 6.246 -6.404 1.00 0.00 N ATOM 200 CA SER A 15 -12.074 6.804 -7.690 1.00 0.00 C ATOM 201 C SER A 15 -12.202 5.706 -8.742 1.00 0.00 C ATOM 202 O SER A 15 -13.097 5.741 -9.586 1.00 0.00 O ATOM 203 CB SER A 15 -11.062 7.854 -8.154 1.00 0.00 C ATOM 204 OG SER A 15 -11.655 8.769 -9.058 1.00 0.00 O ATOM 0 H SER A 15 -10.688 6.383 -6.174 1.00 0.00 H new ATOM 0 HA SER A 15 -13.047 7.279 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.671 8.393 -7.291 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.216 7.361 -8.633 1.00 0.00 H new ATOM 0 HG SER A 15 -10.988 9.430 -9.338 1.00 0.00 H new ATOM 210 N ALA A 16 -11.301 4.731 -8.683 1.00 0.00 N ATOM 211 CA ALA A 16 -11.313 3.621 -9.628 1.00 0.00 C ATOM 212 C ALA A 16 -12.353 2.578 -9.236 1.00 0.00 C ATOM 213 O ALA A 16 -12.376 2.106 -8.100 1.00 0.00 O ATOM 214 CB ALA A 16 -9.933 2.987 -9.715 1.00 0.00 C ATOM 0 H ALA A 16 -10.553 4.687 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.582 4.014 -10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.957 2.160 -10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.211 3.732 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.641 2.615 -8.733 1.00 0.00 H new ATOM 220 N ALA A 17 -13.214 2.222 -10.184 1.00 0.00 N ATOM 221 CA ALA A 17 -14.257 1.234 -9.937 1.00 0.00 C ATOM 222 C ALA A 17 -13.704 0.031 -9.180 1.00 0.00 C ATOM 223 O ALA A 17 -14.442 -0.676 -8.492 1.00 0.00 O ATOM 224 CB ALA A 17 -14.885 0.790 -11.250 1.00 0.00 C ATOM 0 H ALA A 17 -13.210 2.603 -11.130 1.00 0.00 H new ATOM 0 HA ALA A 17 -15.025 1.699 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.662 0.052 -11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.323 1.652 -11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.120 0.348 -11.888 1.00 0.00 H new ATOM 230 N THR A 18 -12.401 -0.198 -9.312 1.00 0.00 N ATOM 231 CA THR A 18 -11.750 -1.317 -8.642 1.00 0.00 C ATOM 232 C THR A 18 -10.308 -0.978 -8.282 1.00 0.00 C ATOM 233 O THR A 18 -9.762 0.026 -8.741 1.00 0.00 O ATOM 234 CB THR A 18 -11.765 -2.583 -9.519 1.00 0.00 C ATOM 235 OG1 THR A 18 -11.172 -2.304 -10.792 1.00 0.00 O ATOM 236 CG2 THR A 18 -13.186 -3.088 -9.716 1.00 0.00 C ATOM 0 H THR A 18 -11.776 0.377 -9.877 1.00 0.00 H new ATOM 0 HA THR A 18 -12.314 -1.510 -7.729 1.00 0.00 H new ATOM 0 HB THR A 18 -11.188 -3.356 -9.012 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.184 -3.114 -11.343 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.171 -3.983 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.625 -3.327 -8.747 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.782 -2.317 -10.204 1.00 0.00 H new ATOM 244 N LEU A 19 -9.695 -1.822 -7.459 1.00 0.00 N ATOM 245 CA LEU A 19 -8.314 -1.613 -7.038 1.00 0.00 C ATOM 246 C LEU A 19 -7.359 -2.483 -7.849 1.00 0.00 C ATOM 247 O LEU A 19 -7.593 -3.677 -8.029 1.00 0.00 O ATOM 248 CB LEU A 19 -8.162 -1.922 -5.548 1.00 0.00 C ATOM 249 CG LEU A 19 -6.843 -1.492 -4.904 1.00 0.00 C ATOM 250 CD1 LEU A 19 -6.846 0.003 -4.629 1.00 0.00 C ATOM 251 CD2 LEU A 19 -6.597 -2.272 -3.621 1.00 0.00 C ATOM 0 H LEU A 19 -10.132 -2.657 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.061 -0.567 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.979 -1.439 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.279 -2.996 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.033 -1.711 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.900 0.291 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.975 0.545 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.665 0.247 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.654 -1.953 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.410 -2.085 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.550 -3.337 -3.846 1.00 0.00 H new ATOM 263 N GLY A 20 -6.282 -1.875 -8.336 1.00 0.00 N ATOM 264 CA GLY A 20 -5.307 -2.610 -9.121 1.00 0.00 C ATOM 265 C GLY A 20 -3.880 -2.291 -8.719 1.00 0.00 C ATOM 266 O GLY A 20 -3.237 -1.430 -9.320 1.00 0.00 O ATOM 0 H GLY A 20 -6.067 -0.887 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.483 -3.679 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.445 -2.377 -10.177 1.00 0.00 H new ATOM 270 N ILE A 21 -3.385 -2.985 -7.700 1.00 0.00 N ATOM 271 CA ILE A 21 -2.026 -2.771 -7.218 1.00 0.00 C ATOM 272 C ILE A 21 -1.313 -4.097 -6.976 1.00 0.00 C ATOM 273 O ILE A 21 -1.926 -5.072 -6.540 1.00 0.00 O ATOM 274 CB ILE A 21 -2.013 -1.948 -5.917 1.00 0.00 C ATOM 275 CG1 ILE A 21 -2.862 -2.635 -4.845 1.00 0.00 C ATOM 276 CG2 ILE A 21 -2.519 -0.537 -6.177 1.00 0.00 C ATOM 277 CD1 ILE A 21 -2.396 -2.354 -3.433 1.00 0.00 C ATOM 0 H ILE A 21 -3.905 -3.701 -7.192 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.500 -2.215 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.987 -1.884 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.897 -2.309 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.848 -3.711 -5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.504 0.032 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.877 -0.050 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.539 -0.581 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.044 -2.873 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.371 -2.705 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.437 -1.281 -3.243 1.00 0.00 H new ATOM 289 N ALA A 22 -0.015 -4.125 -7.258 1.00 0.00 N ATOM 290 CA ALA A 22 0.783 -5.330 -7.067 1.00 0.00 C ATOM 291 C ALA A 22 1.953 -5.070 -6.124 1.00 0.00 C ATOM 292 O ALA A 22 2.527 -3.980 -6.119 1.00 0.00 O ATOM 293 CB ALA A 22 1.286 -5.847 -8.406 1.00 0.00 C ATOM 0 H ALA A 22 0.507 -3.327 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 22 0.147 -6.090 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.880 -6.747 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.437 -6.081 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.902 -5.084 -8.882 1.00 0.00 H new ATOM 299 N ILE A 23 2.300 -6.075 -5.329 1.00 0.00 N ATOM 300 CA ILE A 23 3.402 -5.954 -4.382 1.00 0.00 C ATOM 301 C ILE A 23 4.176 -7.263 -4.270 1.00 0.00 C ATOM 302 O ILE A 23 3.811 -8.266 -4.882 1.00 0.00 O ATOM 303 CB ILE A 23 2.901 -5.546 -2.984 1.00 0.00 C ATOM 304 CG1 ILE A 23 1.520 -6.147 -2.717 1.00 0.00 C ATOM 305 CG2 ILE A 23 2.858 -4.030 -2.860 1.00 0.00 C ATOM 306 CD1 ILE A 23 1.203 -6.302 -1.247 1.00 0.00 C ATOM 0 H ILE A 23 1.835 -6.983 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 23 4.062 -5.175 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 23 3.595 -5.934 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.762 -5.515 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.458 -7.123 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.502 -3.756 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.858 -3.624 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.183 -3.622 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.209 -6.734 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.939 -6.959 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.232 -5.326 -0.764 1.00 0.00 H new ATOM 318 N GLU A 24 5.247 -7.246 -3.482 1.00 0.00 N ATOM 319 CA GLU A 24 6.072 -8.432 -3.289 1.00 0.00 C ATOM 320 C GLU A 24 6.880 -8.329 -1.998 1.00 0.00 C ATOM 321 O GLU A 24 7.202 -7.234 -1.541 1.00 0.00 O ATOM 322 CB GLU A 24 7.014 -8.625 -4.479 1.00 0.00 C ATOM 323 CG GLU A 24 8.152 -7.619 -4.523 1.00 0.00 C ATOM 324 CD GLU A 24 9.261 -8.034 -5.470 1.00 0.00 C ATOM 325 OE1 GLU A 24 8.951 -8.651 -6.512 1.00 0.00 O ATOM 326 OE2 GLU A 24 10.438 -7.743 -5.171 1.00 0.00 O ATOM 0 H GLU A 24 5.563 -6.424 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 24 5.410 -9.295 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.431 -9.631 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.439 -8.552 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.762 -6.648 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.562 -7.496 -3.521 1.00 0.00 H new ATOM 333 N GLY A 25 7.202 -9.480 -1.415 1.00 0.00 N ATOM 334 CA GLY A 25 7.968 -9.498 -0.183 1.00 0.00 C ATOM 335 C GLY A 25 7.260 -10.245 0.930 1.00 0.00 C ATOM 336 O GLY A 25 6.638 -11.280 0.694 1.00 0.00 O ATOM 0 H GLY A 25 6.946 -10.400 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.937 -9.962 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.160 -8.474 0.136 1.00 0.00 H new ATOM 340 N GLY A 26 7.356 -9.721 2.148 1.00 0.00 N ATOM 341 CA GLY A 26 6.715 -10.359 3.283 1.00 0.00 C ATOM 342 C GLY A 26 7.648 -10.503 4.469 1.00 0.00 C ATOM 343 O GLY A 26 8.856 -10.666 4.301 1.00 0.00 O ATOM 0 H GLY A 26 7.866 -8.866 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.843 -9.776 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.354 -11.344 2.987 1.00 0.00 H new ATOM 347 N ALA A 27 7.087 -10.441 5.672 1.00 0.00 N ATOM 348 CA ALA A 27 7.876 -10.566 6.891 1.00 0.00 C ATOM 349 C ALA A 27 8.816 -11.765 6.816 1.00 0.00 C ATOM 350 O ALA A 27 9.793 -11.846 7.559 1.00 0.00 O ATOM 351 CB ALA A 27 6.962 -10.684 8.102 1.00 0.00 C ATOM 0 H ALA A 27 6.088 -10.305 5.828 1.00 0.00 H new ATOM 0 HA ALA A 27 8.484 -9.667 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.565 -10.777 9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.336 -9.795 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.330 -11.565 7.996 1.00 0.00 H new ATOM 357 N ASN A 28 8.512 -12.693 5.915 1.00 0.00 N ATOM 358 CA ASN A 28 9.330 -13.889 5.744 1.00 0.00 C ATOM 359 C ASN A 28 10.639 -13.556 5.035 1.00 0.00 C ATOM 360 O ASN A 28 11.724 -13.842 5.543 1.00 0.00 O ATOM 361 CB ASN A 28 8.562 -14.948 4.951 1.00 0.00 C ATOM 362 CG ASN A 28 7.987 -14.399 3.660 1.00 0.00 C ATOM 363 OD1 ASN A 28 7.357 -13.341 3.648 1.00 0.00 O ATOM 364 ND2 ASN A 28 8.201 -15.118 2.564 1.00 0.00 N ATOM 0 H ASN A 28 7.706 -12.640 5.292 1.00 0.00 H new ATOM 0 HA ASN A 28 9.564 -14.284 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.227 -15.781 4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.754 -15.344 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.838 -14.799 1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.729 -15.989 2.620 1.00 0.00 H new ATOM 371 N THR A 29 10.530 -12.950 3.857 1.00 0.00 N ATOM 372 CA THR A 29 11.704 -12.578 3.077 1.00 0.00 C ATOM 373 C THR A 29 12.461 -11.431 3.736 1.00 0.00 C ATOM 374 O THR A 29 12.001 -10.857 4.723 1.00 0.00 O ATOM 375 CB THR A 29 11.319 -12.168 1.643 1.00 0.00 C ATOM 376 OG1 THR A 29 12.499 -11.912 0.874 1.00 0.00 O ATOM 377 CG2 THR A 29 10.435 -10.929 1.654 1.00 0.00 C ATOM 0 H THR A 29 9.640 -12.706 3.422 1.00 0.00 H new ATOM 0 HA THR A 29 12.347 -13.457 3.035 1.00 0.00 H new ATOM 0 HB THR A 29 10.762 -12.988 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.246 -11.654 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.176 -10.658 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.525 -11.137 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.971 -10.104 2.123 1.00 0.00 H new ATOM 385 N ARG A 30 13.624 -11.102 3.184 1.00 0.00 N ATOM 386 CA ARG A 30 14.446 -10.023 3.719 1.00 0.00 C ATOM 387 C ARG A 30 13.624 -8.749 3.892 1.00 0.00 C ATOM 388 O ARG A 30 13.849 -7.976 4.823 1.00 0.00 O ATOM 389 CB ARG A 30 15.636 -9.754 2.797 1.00 0.00 C ATOM 390 CG ARG A 30 16.818 -9.108 3.501 1.00 0.00 C ATOM 391 CD ARG A 30 18.012 -8.967 2.570 1.00 0.00 C ATOM 392 NE ARG A 30 18.520 -10.264 2.132 1.00 0.00 N ATOM 393 CZ ARG A 30 19.574 -10.410 1.336 1.00 0.00 C ATOM 394 NH1 ARG A 30 20.227 -9.345 0.893 1.00 0.00 N ATOM 395 NH2 ARG A 30 19.976 -11.624 0.981 1.00 0.00 N ATOM 0 H ARG A 30 14.019 -11.567 2.366 1.00 0.00 H new ATOM 0 HA ARG A 30 14.816 -10.332 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.959 -10.695 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 30 15.313 -9.108 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.528 -8.126 3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.099 -9.708 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.725 -8.377 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.806 -8.420 3.079 1.00 0.00 H new ATOM 0 HE ARG A 30 18.040 -11.104 2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.921 -8.410 1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.036 -9.460 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.476 -12.446 1.319 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.785 -11.735 0.370 1.00 0.00 H new ATOM 409 N GLN A 31 12.672 -8.537 2.989 1.00 0.00 N ATOM 410 CA GLN A 31 11.818 -7.356 3.042 1.00 0.00 C ATOM 411 C GLN A 31 10.671 -7.557 4.027 1.00 0.00 C ATOM 412 O GLN A 31 9.814 -8.423 3.851 1.00 0.00 O ATOM 413 CB GLN A 31 11.263 -7.040 1.652 1.00 0.00 C ATOM 414 CG GLN A 31 10.871 -5.583 1.470 1.00 0.00 C ATOM 415 CD GLN A 31 12.041 -4.636 1.658 1.00 0.00 C ATOM 416 OE1 GLN A 31 13.201 -5.048 1.610 1.00 0.00 O ATOM 417 NE2 GLN A 31 11.742 -3.360 1.871 1.00 0.00 N ATOM 0 H GLN A 31 12.473 -9.167 2.212 1.00 0.00 H new ATOM 0 HA GLN A 31 12.423 -6.516 3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.010 -7.303 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.392 -7.668 1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.453 -5.445 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.086 -5.330 2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.767 -3.063 1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.488 -2.677 2.003 1.00 0.00 H new ATOM 426 N PRO A 32 10.653 -6.739 5.089 1.00 0.00 N ATOM 427 CA PRO A 32 9.617 -6.807 6.124 1.00 0.00 C ATOM 428 C PRO A 32 8.258 -6.337 5.615 1.00 0.00 C ATOM 429 O PRO A 32 7.241 -6.997 5.829 1.00 0.00 O ATOM 430 CB PRO A 32 10.137 -5.863 7.210 1.00 0.00 C ATOM 431 CG PRO A 32 11.020 -4.905 6.489 1.00 0.00 C ATOM 432 CD PRO A 32 11.643 -5.684 5.363 1.00 0.00 C ATOM 0 HA PRO A 32 9.454 -7.827 6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.318 -5.346 7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.687 -6.408 7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.449 -4.058 6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.784 -4.502 7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.815 -5.057 4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.608 -6.103 5.650 1.00 0.00 H new ATOM 440 N LEU A 33 8.249 -5.193 4.941 1.00 0.00 N ATOM 441 CA LEU A 33 7.014 -4.633 4.400 1.00 0.00 C ATOM 442 C LEU A 33 6.926 -4.863 2.895 1.00 0.00 C ATOM 443 O LEU A 33 7.934 -4.996 2.202 1.00 0.00 O ATOM 444 CB LEU A 33 6.933 -3.137 4.705 1.00 0.00 C ATOM 445 CG LEU A 33 6.650 -2.762 6.160 1.00 0.00 C ATOM 446 CD1 LEU A 33 5.496 -3.587 6.709 1.00 0.00 C ATOM 447 CD2 LEU A 33 7.897 -2.954 7.012 1.00 0.00 C ATOM 0 H LEU A 33 9.082 -4.634 4.756 1.00 0.00 H new ATOM 0 HA LEU A 33 6.175 -5.140 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.875 -2.675 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.153 -2.701 4.080 1.00 0.00 H new ATOM 0 HG LEU A 33 6.367 -1.710 6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.309 -3.306 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.601 -3.401 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.750 -4.646 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.678 -2.682 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.209 -3.997 6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.698 -2.320 6.632 1.00 0.00 H new ATOM 459 N PRO A 34 5.690 -4.909 2.375 1.00 0.00 N ATOM 460 CA PRO A 34 5.440 -5.119 0.946 1.00 0.00 C ATOM 461 C PRO A 34 5.857 -3.920 0.101 1.00 0.00 C ATOM 462 O PRO A 34 5.673 -2.771 0.504 1.00 0.00 O ATOM 463 CB PRO A 34 3.924 -5.320 0.877 1.00 0.00 C ATOM 464 CG PRO A 34 3.393 -4.611 2.074 1.00 0.00 C ATOM 465 CD PRO A 34 4.442 -4.758 3.142 1.00 0.00 C ATOM 0 HA PRO A 34 6.014 -5.957 0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.511 -4.907 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.664 -6.378 0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.205 -3.560 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.446 -5.044 2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.475 -3.886 3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.252 -5.625 3.775 1.00 0.00 H new ATOM 473 N ARG A 35 6.420 -4.194 -1.071 1.00 0.00 N ATOM 474 CA ARG A 35 6.864 -3.137 -1.972 1.00 0.00 C ATOM 475 C ARG A 35 6.122 -3.210 -3.303 1.00 0.00 C ATOM 476 O ARG A 35 6.039 -4.272 -3.921 1.00 0.00 O ATOM 477 CB ARG A 35 8.371 -3.240 -2.209 1.00 0.00 C ATOM 478 CG ARG A 35 8.946 -2.072 -2.993 1.00 0.00 C ATOM 479 CD ARG A 35 10.465 -2.125 -3.040 1.00 0.00 C ATOM 480 NE ARG A 35 11.053 -0.802 -3.233 1.00 0.00 N ATOM 481 CZ ARG A 35 12.315 -0.509 -2.940 1.00 0.00 C ATOM 482 NH1 ARG A 35 13.117 -1.441 -2.442 1.00 0.00 N ATOM 483 NH2 ARG A 35 12.777 0.718 -3.144 1.00 0.00 N ATOM 0 H ARG A 35 6.580 -5.139 -1.419 1.00 0.00 H new ATOM 0 HA ARG A 35 6.642 -2.178 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.878 -3.305 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.584 -4.165 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.549 -2.083 -4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.628 -1.135 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.842 -2.557 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.780 -2.783 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 35 10.462 -0.063 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.765 -2.385 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.086 -1.214 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.163 1.437 -3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.746 0.942 -2.919 1.00 0.00 H new ATOM 497 N ILE A 36 5.584 -2.076 -3.738 1.00 0.00 N ATOM 498 CA ILE A 36 4.850 -2.012 -4.995 1.00 0.00 C ATOM 499 C ILE A 36 5.762 -2.313 -6.180 1.00 0.00 C ATOM 500 O ILE A 36 6.752 -1.618 -6.408 1.00 0.00 O ATOM 501 CB ILE A 36 4.202 -0.629 -5.199 1.00 0.00 C ATOM 502 CG1 ILE A 36 3.266 -0.304 -4.034 1.00 0.00 C ATOM 503 CG2 ILE A 36 3.448 -0.587 -6.520 1.00 0.00 C ATOM 504 CD1 ILE A 36 2.609 1.054 -4.148 1.00 0.00 C ATOM 0 H ILE A 36 5.643 -1.189 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 36 4.066 -2.767 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 36 4.989 0.124 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.492 -1.069 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.830 -0.349 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.996 0.396 -6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.140 -0.779 -7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.667 -1.348 -6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.959 1.217 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.376 1.828 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.018 1.096 -5.063 1.00 0.00 H new ATOM 516 N VAL A 37 5.420 -3.354 -6.933 1.00 0.00 N ATOM 517 CA VAL A 37 6.206 -3.746 -8.097 1.00 0.00 C ATOM 518 C VAL A 37 5.520 -3.324 -9.391 1.00 0.00 C ATOM 519 O VAL A 37 6.178 -3.044 -10.393 1.00 0.00 O ATOM 520 CB VAL A 37 6.443 -5.268 -8.127 1.00 0.00 C ATOM 521 CG1 VAL A 37 7.448 -5.673 -7.059 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.131 -6.015 -7.946 1.00 0.00 C ATOM 0 H VAL A 37 4.604 -3.941 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 37 7.167 -3.237 -8.016 1.00 0.00 H new ATOM 0 HB VAL A 37 6.855 -5.535 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.603 -6.751 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.395 -5.164 -7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.067 -5.394 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.317 -7.089 -7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.688 -5.745 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.446 -5.748 -8.751 1.00 0.00 H new ATOM 532 N THR A 38 4.191 -3.281 -9.363 1.00 0.00 N ATOM 533 CA THR A 38 3.415 -2.894 -10.534 1.00 0.00 C ATOM 534 C THR A 38 2.145 -2.153 -10.131 1.00 0.00 C ATOM 535 O THR A 38 1.451 -2.555 -9.196 1.00 0.00 O ATOM 536 CB THR A 38 3.032 -4.120 -11.384 1.00 0.00 C ATOM 537 OG1 THR A 38 4.204 -4.693 -11.974 1.00 0.00 O ATOM 538 CG2 THR A 38 2.045 -3.734 -12.476 1.00 0.00 C ATOM 0 H THR A 38 3.630 -3.509 -8.542 1.00 0.00 H new ATOM 0 HA THR A 38 4.046 -2.232 -11.127 1.00 0.00 H new ATOM 0 HB THR A 38 2.559 -4.854 -10.731 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.952 -5.473 -12.511 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.789 -4.616 -13.063 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.142 -3.326 -12.022 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.496 -2.984 -13.125 1.00 0.00 H new ATOM 546 N ILE A 39 1.847 -1.070 -10.841 1.00 0.00 N ATOM 547 CA ILE A 39 0.659 -0.275 -10.558 1.00 0.00 C ATOM 548 C ILE A 39 -0.266 -0.217 -11.769 1.00 0.00 C ATOM 549 O ILE A 39 -0.030 0.546 -12.705 1.00 0.00 O ATOM 550 CB ILE A 39 1.030 1.161 -10.140 1.00 0.00 C ATOM 551 CG1 ILE A 39 1.923 1.139 -8.897 1.00 0.00 C ATOM 552 CG2 ILE A 39 -0.227 1.978 -9.880 1.00 0.00 C ATOM 553 CD1 ILE A 39 2.321 2.516 -8.415 1.00 0.00 C ATOM 0 H ILE A 39 2.412 -0.723 -11.616 1.00 0.00 H new ATOM 0 HA ILE A 39 0.142 -0.764 -9.732 1.00 0.00 H new ATOM 0 HB ILE A 39 1.583 1.629 -10.954 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.401 0.618 -8.094 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.823 0.565 -9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.051 2.990 -9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.830 2.017 -10.787 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.804 1.513 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.953 2.424 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.871 3.032 -9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.427 3.086 -8.163 1.00 0.00 H new ATOM 565 N GLN A 40 -1.319 -1.026 -11.741 1.00 0.00 N ATOM 566 CA GLN A 40 -2.280 -1.066 -12.837 1.00 0.00 C ATOM 567 C GLN A 40 -2.921 0.302 -13.049 1.00 0.00 C ATOM 568 O GLN A 40 -3.311 0.970 -12.091 1.00 0.00 O ATOM 569 CB GLN A 40 -3.362 -2.111 -12.558 1.00 0.00 C ATOM 570 CG GLN A 40 -2.898 -3.541 -12.782 1.00 0.00 C ATOM 571 CD GLN A 40 -3.134 -4.016 -14.202 1.00 0.00 C ATOM 572 OE1 GLN A 40 -4.252 -4.377 -14.571 1.00 0.00 O ATOM 573 NE2 GLN A 40 -2.080 -4.016 -15.010 1.00 0.00 N ATOM 0 H GLN A 40 -1.529 -1.662 -10.972 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.745 -1.342 -13.746 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.701 -2.005 -11.527 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.221 -1.912 -13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.835 -3.615 -12.550 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.421 -4.201 -12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.171 -3.709 -14.663 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.179 -4.323 -15.978 1.00 0.00 H new ATOM 582 N ARG A 41 -3.027 0.712 -14.308 1.00 0.00 N ATOM 583 CA ARG A 41 -3.620 2.001 -14.645 1.00 0.00 C ATOM 584 C ARG A 41 -5.078 2.062 -14.199 1.00 0.00 C ATOM 585 O ARG A 41 -5.551 3.096 -13.730 1.00 0.00 O ATOM 586 CB ARG A 41 -3.525 2.251 -16.151 1.00 0.00 C ATOM 587 CG ARG A 41 -2.187 2.823 -16.591 1.00 0.00 C ATOM 588 CD ARG A 41 -1.852 2.422 -18.018 1.00 0.00 C ATOM 589 NE ARG A 41 -0.590 3.004 -18.469 1.00 0.00 N ATOM 590 CZ ARG A 41 0.602 2.555 -18.092 1.00 0.00 C ATOM 591 NH1 ARG A 41 0.695 1.524 -17.264 1.00 0.00 N ATOM 592 NH2 ARG A 41 1.705 3.138 -18.545 1.00 0.00 N ATOM 0 H ARG A 41 -2.710 0.170 -15.112 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.065 2.777 -14.119 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.700 1.313 -16.678 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.319 2.937 -16.448 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.212 3.910 -16.514 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.402 2.473 -15.920 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.794 1.336 -18.085 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.656 2.740 -18.682 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.626 3.798 -19.108 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.150 1.073 -16.914 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.612 1.182 -16.977 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.638 3.931 -19.183 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.620 2.793 -18.255 1.00 0.00 H new ATOM 606 N GLY A 42 -5.785 0.946 -14.349 1.00 0.00 N ATOM 607 CA GLY A 42 -7.181 0.895 -13.958 1.00 0.00 C ATOM 608 C GLY A 42 -7.359 0.709 -12.464 1.00 0.00 C ATOM 609 O GLY A 42 -8.212 -0.060 -12.024 1.00 0.00 O ATOM 0 H GLY A 42 -5.416 0.077 -14.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.676 1.816 -14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.673 0.077 -14.484 1.00 0.00 H new ATOM 613 N GLY A 43 -6.548 1.415 -11.681 1.00 0.00 N ATOM 614 CA GLY A 43 -6.634 1.308 -10.236 1.00 0.00 C ATOM 615 C GLY A 43 -6.549 2.657 -9.550 1.00 0.00 C ATOM 616 O GLY A 43 -5.862 3.561 -10.025 1.00 0.00 O ATOM 0 H GLY A 43 -5.834 2.059 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.573 0.825 -9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.830 0.668 -9.873 1.00 0.00 H new ATOM 620 N SER A 44 -7.250 2.794 -8.429 1.00 0.00 N ATOM 621 CA SER A 44 -7.255 4.044 -7.678 1.00 0.00 C ATOM 622 C SER A 44 -5.833 4.540 -7.439 1.00 0.00 C ATOM 623 O SER A 44 -5.586 5.744 -7.376 1.00 0.00 O ATOM 624 CB SER A 44 -7.974 3.857 -6.340 1.00 0.00 C ATOM 625 OG SER A 44 -7.180 3.110 -5.435 1.00 0.00 O ATOM 0 H SER A 44 -7.822 2.055 -8.021 1.00 0.00 H new ATOM 0 HA SER A 44 -7.787 4.791 -8.267 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.205 4.831 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.924 3.347 -6.502 1.00 0.00 H new ATOM 0 HG SER A 44 -7.717 2.869 -4.651 1.00 0.00 H new ATOM 631 N ALA A 45 -4.900 3.603 -7.307 1.00 0.00 N ATOM 632 CA ALA A 45 -3.502 3.944 -7.077 1.00 0.00 C ATOM 633 C ALA A 45 -2.939 4.764 -8.232 1.00 0.00 C ATOM 634 O ALA A 45 -2.277 5.781 -8.021 1.00 0.00 O ATOM 635 CB ALA A 45 -2.677 2.681 -6.873 1.00 0.00 C ATOM 0 H ALA A 45 -5.087 2.602 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.446 4.552 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.635 2.951 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.056 2.134 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.748 2.052 -7.761 1.00 0.00 H new ATOM 641 N HIS A 46 -3.207 4.316 -9.455 1.00 0.00 N ATOM 642 CA HIS A 46 -2.727 5.010 -10.645 1.00 0.00 C ATOM 643 C HIS A 46 -3.228 6.450 -10.674 1.00 0.00 C ATOM 644 O HIS A 46 -2.438 7.392 -10.700 1.00 0.00 O ATOM 645 CB HIS A 46 -3.179 4.274 -11.907 1.00 0.00 C ATOM 646 CG HIS A 46 -2.795 4.970 -13.176 1.00 0.00 C ATOM 647 ND1 HIS A 46 -3.669 5.161 -14.225 1.00 0.00 N ATOM 648 CD2 HIS A 46 -1.621 5.524 -13.562 1.00 0.00 C ATOM 649 CE1 HIS A 46 -3.050 5.801 -15.201 1.00 0.00 C ATOM 650 NE2 HIS A 46 -1.806 6.033 -14.824 1.00 0.00 N ATOM 0 H HIS A 46 -3.753 3.476 -9.648 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.638 5.025 -10.612 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.749 3.272 -11.907 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.262 4.156 -11.880 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.642 4.856 -14.245 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.709 5.559 -12.985 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.487 6.086 -16.147 1.00 0.00 H new ATOM 659 N ASN A 47 -4.548 6.613 -10.670 1.00 0.00 N ATOM 660 CA ASN A 47 -5.154 7.938 -10.697 1.00 0.00 C ATOM 661 C ASN A 47 -4.361 8.918 -9.838 1.00 0.00 C ATOM 662 O ASN A 47 -3.853 9.924 -10.335 1.00 0.00 O ATOM 663 CB ASN A 47 -6.602 7.870 -10.207 1.00 0.00 C ATOM 664 CG ASN A 47 -7.541 7.300 -11.253 1.00 0.00 C ATOM 665 OD1 ASN A 47 -7.709 7.874 -12.329 1.00 0.00 O ATOM 666 ND2 ASN A 47 -8.158 6.167 -10.940 1.00 0.00 N ATOM 0 H ASN A 47 -5.217 5.843 -10.648 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.142 8.294 -11.727 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.650 7.257 -9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.936 8.870 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.802 5.737 -11.604 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.988 5.727 -10.036 1.00 0.00 H new ATOM 708 N LEU A 51 1.215 8.381 -5.691 1.00 0.00 N ATOM 709 CA LEU A 51 1.915 7.108 -5.558 1.00 0.00 C ATOM 710 C LEU A 51 2.760 6.819 -6.794 1.00 0.00 C ATOM 711 O LEU A 51 2.558 7.417 -7.852 1.00 0.00 O ATOM 712 CB LEU A 51 0.913 5.974 -5.334 1.00 0.00 C ATOM 713 CG LEU A 51 -0.006 6.120 -4.121 1.00 0.00 C ATOM 714 CD1 LEU A 51 -1.002 4.971 -4.064 1.00 0.00 C ATOM 715 CD2 LEU A 51 0.810 6.184 -2.838 1.00 0.00 C ATOM 0 HA LEU A 51 2.578 7.174 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.293 5.883 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.467 5.041 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.562 7.052 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.648 5.092 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.609 4.971 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.464 4.026 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.139 6.288 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.393 5.269 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.483 7.041 -2.877 1.00 0.00 H new ATOM 727 N LYS A 52 3.706 5.897 -6.655 1.00 0.00 N ATOM 728 CA LYS A 52 4.581 5.525 -7.761 1.00 0.00 C ATOM 729 C LYS A 52 5.051 4.080 -7.620 1.00 0.00 C ATOM 730 O LYS A 52 5.123 3.545 -6.514 1.00 0.00 O ATOM 731 CB LYS A 52 5.789 6.462 -7.821 1.00 0.00 C ATOM 732 CG LYS A 52 5.421 7.913 -8.080 1.00 0.00 C ATOM 733 CD LYS A 52 6.582 8.845 -7.775 1.00 0.00 C ATOM 734 CE LYS A 52 6.544 10.087 -8.653 1.00 0.00 C ATOM 735 NZ LYS A 52 7.710 10.979 -8.402 1.00 0.00 N ATOM 0 H LYS A 52 3.887 5.393 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 52 4.013 5.616 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.336 6.397 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.464 6.121 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.120 8.033 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.562 8.187 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.549 9.138 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.524 8.318 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.533 9.790 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.620 10.635 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.648 11.814 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.707 11.283 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.591 10.464 -8.604 1.00 0.00 H new ATOM 749 N VAL A 53 5.372 3.455 -8.748 1.00 0.00 N ATOM 750 CA VAL A 53 5.838 2.073 -8.750 1.00 0.00 C ATOM 751 C VAL A 53 7.196 1.950 -8.068 1.00 0.00 C ATOM 752 O VAL A 53 8.210 2.406 -8.593 1.00 0.00 O ATOM 753 CB VAL A 53 5.944 1.518 -10.183 1.00 0.00 C ATOM 754 CG1 VAL A 53 6.603 0.148 -10.178 1.00 0.00 C ATOM 755 CG2 VAL A 53 4.570 1.456 -10.833 1.00 0.00 C ATOM 0 H VAL A 53 5.318 3.883 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 53 5.102 1.490 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 53 6.568 2.192 -10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.669 -0.228 -11.199 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.604 0.228 -9.755 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.009 -0.539 -9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.664 1.062 -11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.920 0.805 -10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.140 2.457 -10.872 1.00 0.00 H new ATOM 765 N GLY A 54 7.207 1.329 -6.892 1.00 0.00 N ATOM 766 CA GLY A 54 8.446 1.156 -6.156 1.00 0.00 C ATOM 767 C GLY A 54 8.313 1.548 -4.698 1.00 0.00 C ATOM 768 O GLY A 54 9.285 1.498 -3.943 1.00 0.00 O ATOM 0 H GLY A 54 6.380 0.943 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.762 0.115 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.228 1.756 -6.621 1.00 0.00 H new ATOM 772 N HIS A 55 7.107 1.939 -4.299 1.00 0.00 N ATOM 773 CA HIS A 55 6.851 2.342 -2.921 1.00 0.00 C ATOM 774 C HIS A 55 6.756 1.123 -2.007 1.00 0.00 C ATOM 775 O HIS A 55 6.757 -0.016 -2.473 1.00 0.00 O ATOM 776 CB HIS A 55 5.560 3.158 -2.837 1.00 0.00 C ATOM 777 CG HIS A 55 5.751 4.612 -3.139 1.00 0.00 C ATOM 778 ND1 HIS A 55 4.781 5.391 -3.734 1.00 0.00 N ATOM 779 CD2 HIS A 55 6.807 5.430 -2.922 1.00 0.00 C ATOM 780 CE1 HIS A 55 5.233 6.624 -3.873 1.00 0.00 C ATOM 781 NE2 HIS A 55 6.461 6.675 -3.387 1.00 0.00 N ATOM 0 H HIS A 55 6.292 1.985 -4.910 1.00 0.00 H new ATOM 0 HA HIS A 55 7.685 2.960 -2.589 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.832 2.743 -3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.139 3.055 -1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.747 5.155 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.691 7.450 -4.310 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.055 7.504 -3.361 1.00 0.00 H new ATOM 790 N VAL A 56 6.676 1.371 -0.704 1.00 0.00 N ATOM 791 CA VAL A 56 6.580 0.295 0.275 1.00 0.00 C ATOM 792 C VAL A 56 5.473 0.568 1.286 1.00 0.00 C ATOM 793 O VAL A 56 5.585 1.472 2.115 1.00 0.00 O ATOM 794 CB VAL A 56 7.910 0.100 1.027 1.00 0.00 C ATOM 795 CG1 VAL A 56 7.766 -0.966 2.101 1.00 0.00 C ATOM 796 CG2 VAL A 56 9.024 -0.258 0.055 1.00 0.00 C ATOM 0 H VAL A 56 6.676 2.308 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 56 6.346 -0.615 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 56 8.172 1.039 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.716 -1.089 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.999 -0.663 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.480 -1.911 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.956 -0.392 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.771 -1.183 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.144 0.544 -0.673 1.00 0.00 H new ATOM 806 N ILE A 57 4.404 -0.219 1.212 1.00 0.00 N ATOM 807 CA ILE A 57 3.277 -0.062 2.122 1.00 0.00 C ATOM 808 C ILE A 57 3.618 -0.583 3.514 1.00 0.00 C ATOM 809 O ILE A 57 3.774 -1.788 3.717 1.00 0.00 O ATOM 810 CB ILE A 57 2.028 -0.798 1.603 1.00 0.00 C ATOM 811 CG1 ILE A 57 1.727 -0.383 0.161 1.00 0.00 C ATOM 812 CG2 ILE A 57 0.833 -0.514 2.501 1.00 0.00 C ATOM 813 CD1 ILE A 57 0.889 -1.390 -0.595 1.00 0.00 C ATOM 0 H ILE A 57 4.296 -0.971 0.531 1.00 0.00 H new ATOM 0 HA ILE A 57 3.063 1.005 2.178 1.00 0.00 H new ATOM 0 HB ILE A 57 2.224 -1.870 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.209 0.576 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.667 -0.234 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.042 -1.042 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.050 -0.854 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.634 0.558 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.715 -1.030 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.414 -2.344 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.067 -1.522 -0.088 1.00 0.00 H new ATOM 825 N LEU A 58 3.730 0.331 4.471 1.00 0.00 N ATOM 826 CA LEU A 58 4.050 -0.035 5.846 1.00 0.00 C ATOM 827 C LEU A 58 2.787 -0.113 6.698 1.00 0.00 C ATOM 828 O LEU A 58 2.744 -0.831 7.696 1.00 0.00 O ATOM 829 CB LEU A 58 5.025 0.977 6.451 1.00 0.00 C ATOM 830 CG LEU A 58 5.977 1.661 5.469 1.00 0.00 C ATOM 831 CD1 LEU A 58 6.573 2.915 6.090 1.00 0.00 C ATOM 832 CD2 LEU A 58 7.076 0.702 5.036 1.00 0.00 C ATOM 0 H LEU A 58 3.604 1.332 4.320 1.00 0.00 H new ATOM 0 HA LEU A 58 4.519 -1.019 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.447 1.747 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.621 0.469 7.209 1.00 0.00 H new ATOM 0 HG LEU A 58 5.410 1.953 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.248 3.389 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.773 3.609 6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.126 2.648 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.744 1.206 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.642 0.378 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.631 -0.166 4.550 1.00 0.00 H new ATOM 844 N GLU A 59 1.761 0.629 6.294 1.00 0.00 N ATOM 845 CA GLU A 59 0.496 0.642 7.020 1.00 0.00 C ATOM 846 C GLU A 59 -0.677 0.844 6.065 1.00 0.00 C ATOM 847 O GLU A 59 -0.562 1.550 5.063 1.00 0.00 O ATOM 848 CB GLU A 59 0.502 1.747 8.079 1.00 0.00 C ATOM 849 CG GLU A 59 -0.714 1.723 8.990 1.00 0.00 C ATOM 850 CD GLU A 59 -0.454 2.389 10.327 1.00 0.00 C ATOM 851 OE1 GLU A 59 0.242 1.782 11.167 1.00 0.00 O ATOM 852 OE2 GLU A 59 -0.947 3.518 10.533 1.00 0.00 O ATOM 0 H GLU A 59 1.781 1.228 5.469 1.00 0.00 H new ATOM 0 HA GLU A 59 0.379 -0.323 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.402 1.652 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.554 2.715 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.545 2.225 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.019 0.690 9.156 1.00 0.00 H new ATOM 859 N VAL A 60 -1.806 0.219 6.384 1.00 0.00 N ATOM 860 CA VAL A 60 -3.001 0.329 5.556 1.00 0.00 C ATOM 861 C VAL A 60 -4.263 0.335 6.411 1.00 0.00 C ATOM 862 O VAL A 60 -4.558 -0.635 7.107 1.00 0.00 O ATOM 863 CB VAL A 60 -3.088 -0.825 4.539 1.00 0.00 C ATOM 864 CG1 VAL A 60 -4.373 -0.728 3.730 1.00 0.00 C ATOM 865 CG2 VAL A 60 -1.872 -0.823 3.626 1.00 0.00 C ATOM 0 H VAL A 60 -1.918 -0.369 7.210 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.927 1.273 5.017 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.101 -1.768 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.417 -1.551 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.230 -0.783 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.393 0.220 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.950 -1.645 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.825 0.122 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.968 -0.945 4.223 1.00 0.00 H new ATOM 875 N ASN A 61 -5.006 1.436 6.352 1.00 0.00 N ATOM 876 CA ASN A 61 -6.238 1.569 7.121 1.00 0.00 C ATOM 877 C ASN A 61 -5.958 1.469 8.617 1.00 0.00 C ATOM 878 O ASN A 61 -6.800 1.008 9.387 1.00 0.00 O ATOM 879 CB ASN A 61 -7.242 0.493 6.705 1.00 0.00 C ATOM 880 CG ASN A 61 -8.679 0.950 6.864 1.00 0.00 C ATOM 881 OD1 ASN A 61 -9.338 0.631 7.854 1.00 0.00 O ATOM 882 ND2 ASN A 61 -9.172 1.702 5.887 1.00 0.00 N ATOM 0 H ASN A 61 -4.776 2.249 5.780 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.663 2.551 6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.064 0.217 5.666 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.080 -0.403 7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.133 2.040 5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.590 1.942 5.085 1.00 0.00 H new ATOM 889 N GLY A 62 -4.769 1.905 9.022 1.00 0.00 N ATOM 890 CA GLY A 62 -4.399 1.856 10.425 1.00 0.00 C ATOM 891 C GLY A 62 -3.631 0.598 10.778 1.00 0.00 C ATOM 892 O GLY A 62 -2.812 0.600 11.699 1.00 0.00 O ATOM 0 H GLY A 62 -4.055 2.291 8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.793 2.729 10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.299 1.912 11.037 1.00 0.00 H new ATOM 896 N LEU A 63 -3.895 -0.480 10.048 1.00 0.00 N ATOM 897 CA LEU A 63 -3.223 -1.752 10.291 1.00 0.00 C ATOM 898 C LEU A 63 -1.825 -1.754 9.682 1.00 0.00 C ATOM 899 O LEU A 63 -1.661 -1.581 8.473 1.00 0.00 O ATOM 900 CB LEU A 63 -4.046 -2.904 9.711 1.00 0.00 C ATOM 901 CG LEU A 63 -5.256 -3.345 10.535 1.00 0.00 C ATOM 902 CD1 LEU A 63 -6.445 -2.435 10.267 1.00 0.00 C ATOM 903 CD2 LEU A 63 -5.611 -4.793 10.228 1.00 0.00 C ATOM 0 H LEU A 63 -4.569 -0.499 9.283 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.130 -1.886 11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.393 -2.613 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.389 -3.763 9.579 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.998 -3.271 11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.297 -2.764 10.862 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.188 -1.411 10.537 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.704 -2.477 9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.474 -5.090 10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.849 -4.893 9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.764 -5.435 10.472 1.00 0.00 H new ATOM 915 N THR A 64 -0.817 -1.952 10.526 1.00 0.00 N ATOM 916 CA THR A 64 0.567 -1.977 10.072 1.00 0.00 C ATOM 917 C THR A 64 0.921 -3.330 9.464 1.00 0.00 C ATOM 918 O THR A 64 0.473 -4.373 9.942 1.00 0.00 O ATOM 919 CB THR A 64 1.543 -1.674 11.224 1.00 0.00 C ATOM 920 OG1 THR A 64 2.827 -2.239 10.941 1.00 0.00 O ATOM 921 CG2 THR A 64 1.017 -2.231 12.539 1.00 0.00 C ATOM 0 H THR A 64 -0.934 -2.097 11.529 1.00 0.00 H new ATOM 0 HA THR A 64 0.664 -1.202 9.311 1.00 0.00 H new ATOM 0 HB THR A 64 1.636 -0.592 11.316 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.467 -1.520 10.755 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.723 -2.005 13.338 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.053 -1.776 12.767 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.898 -3.311 12.455 1.00 0.00 H new ATOM 929 N LEU A 65 1.728 -3.306 8.409 1.00 0.00 N ATOM 930 CA LEU A 65 2.144 -4.532 7.736 1.00 0.00 C ATOM 931 C LEU A 65 3.531 -4.965 8.201 1.00 0.00 C ATOM 932 O LEU A 65 4.168 -5.815 7.578 1.00 0.00 O ATOM 933 CB LEU A 65 2.141 -4.331 6.220 1.00 0.00 C ATOM 934 CG LEU A 65 0.794 -3.970 5.593 1.00 0.00 C ATOM 935 CD1 LEU A 65 0.984 -3.469 4.170 1.00 0.00 C ATOM 936 CD2 LEU A 65 -0.144 -5.168 5.618 1.00 0.00 C ATOM 0 H LEU A 65 2.107 -2.452 8.001 1.00 0.00 H new ATOM 0 HA LEU A 65 1.434 -5.318 7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.855 -3.544 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.503 -5.246 5.752 1.00 0.00 H new ATOM 0 HG LEU A 65 0.345 -3.169 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.014 -3.217 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.619 -2.583 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.455 -4.247 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.098 -4.893 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.300 -5.989 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.307 -5.481 6.649 1.00 0.00 H new ATOM 948 N ARG A 66 3.992 -4.377 9.300 1.00 0.00 N ATOM 949 CA ARG A 66 5.302 -4.702 9.848 1.00 0.00 C ATOM 950 C ARG A 66 5.428 -6.201 10.103 1.00 0.00 C ATOM 951 O ARG A 66 6.522 -6.761 10.046 1.00 0.00 O ATOM 952 CB ARG A 66 5.541 -3.931 11.148 1.00 0.00 C ATOM 953 CG ARG A 66 5.048 -4.660 12.388 1.00 0.00 C ATOM 954 CD ARG A 66 4.764 -3.694 13.527 1.00 0.00 C ATOM 955 NE ARG A 66 4.872 -4.339 14.832 1.00 0.00 N ATOM 956 CZ ARG A 66 6.013 -4.803 15.330 1.00 0.00 C ATOM 957 NH1 ARG A 66 7.137 -4.693 14.636 1.00 0.00 N ATOM 958 NH2 ARG A 66 6.030 -5.378 16.526 1.00 0.00 N ATOM 0 H ARG A 66 3.477 -3.673 9.828 1.00 0.00 H new ATOM 0 HA ARG A 66 6.056 -4.410 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.608 -3.734 11.253 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.043 -2.964 11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.142 -5.217 12.148 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.795 -5.388 12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.463 -2.859 13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.763 -3.279 13.409 1.00 0.00 H new ATOM 0 HE ARG A 66 4.025 -4.439 15.392 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.128 -4.251 13.717 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.011 -5.050 15.021 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.167 -5.464 17.063 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.906 -5.734 16.908 1.00 0.00 H new ATOM 972 N GLY A 67 4.300 -6.845 10.385 1.00 0.00 N ATOM 973 CA GLY A 67 4.305 -8.273 10.645 1.00 0.00 C ATOM 974 C GLY A 67 3.328 -9.027 9.764 1.00 0.00 C ATOM 975 O GLY A 67 2.716 -10.004 10.197 1.00 0.00 O ATOM 0 H GLY A 67 3.382 -6.403 10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.310 -8.665 10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.056 -8.449 11.692 1.00 0.00 H new ATOM 979 N LYS A 68 3.180 -8.572 8.525 1.00 0.00 N ATOM 980 CA LYS A 68 2.270 -9.209 7.580 1.00 0.00 C ATOM 981 C LYS A 68 3.010 -9.638 6.317 1.00 0.00 C ATOM 982 O LYS A 68 3.981 -9.002 5.910 1.00 0.00 O ATOM 983 CB LYS A 68 1.130 -8.255 7.216 1.00 0.00 C ATOM 984 CG LYS A 68 0.378 -7.718 8.421 1.00 0.00 C ATOM 985 CD LYS A 68 -0.624 -8.731 8.949 1.00 0.00 C ATOM 986 CE LYS A 68 -1.497 -8.133 10.043 1.00 0.00 C ATOM 987 NZ LYS A 68 -1.970 -9.169 11.003 1.00 0.00 N ATOM 0 H LYS A 68 3.678 -7.764 8.151 1.00 0.00 H new ATOM 0 HA LYS A 68 1.855 -10.097 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.536 -7.417 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.429 -8.773 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.087 -7.461 9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.141 -6.800 8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.253 -9.082 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.094 -9.600 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.934 -7.370 10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.356 -7.637 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.561 -8.722 11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.529 -9.884 10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.151 -9.625 11.453 1.00 0.00 H new ATOM 1001 N GLU A 69 2.544 -10.721 5.702 1.00 0.00 N ATOM 1002 CA GLU A 69 3.162 -11.234 4.486 1.00 0.00 C ATOM 1003 C GLU A 69 2.497 -10.643 3.246 1.00 0.00 C ATOM 1004 O GLU A 69 1.322 -10.277 3.273 1.00 0.00 O ATOM 1005 CB GLU A 69 3.073 -12.761 4.446 1.00 0.00 C ATOM 1006 CG GLU A 69 3.706 -13.439 5.650 1.00 0.00 C ATOM 1007 CD GLU A 69 3.924 -14.924 5.435 1.00 0.00 C ATOM 1008 OE1 GLU A 69 2.966 -15.612 5.027 1.00 0.00 O ATOM 1009 OE2 GLU A 69 5.055 -15.397 5.675 1.00 0.00 O ATOM 0 H GLU A 69 1.741 -11.259 6.026 1.00 0.00 H new ATOM 0 HA GLU A 69 4.211 -10.938 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.025 -13.054 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.559 -13.121 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.662 -12.963 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.069 -13.292 6.522 1.00 0.00 H new ATOM 1016 N HIS A 70 3.258 -10.551 2.160 1.00 0.00 N ATOM 1017 CA HIS A 70 2.743 -10.004 0.910 1.00 0.00 C ATOM 1018 C HIS A 70 1.291 -10.417 0.693 1.00 0.00 C ATOM 1019 O HIS A 70 0.437 -9.583 0.391 1.00 0.00 O ATOM 1020 CB HIS A 70 3.599 -10.473 -0.267 1.00 0.00 C ATOM 1021 CG HIS A 70 2.863 -10.497 -1.571 1.00 0.00 C ATOM 1022 ND1 HIS A 70 2.211 -11.502 -2.202 1.00 0.00 N flip ATOM 1023 CD2 HIS A 70 2.740 -9.391 -2.386 1.00 0.00 C flip ATOM 1024 CE1 HIS A 70 1.710 -10.990 -3.373 1.00 0.00 C flip ATOM 1025 NE2 HIS A 70 2.042 -9.715 -3.460 1.00 0.00 N flip ATOM 0 H HIS A 70 4.233 -10.848 2.120 1.00 0.00 H new ATOM 0 HA HIS A 70 2.788 -8.917 0.973 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.465 -9.817 -0.360 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.978 -11.473 -0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.150 -8.414 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.137 -11.541 -4.104 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.801 -9.087 -4.226 1.00 0.00 H new ATOM 1034 N ARG A 71 1.018 -11.708 0.850 1.00 0.00 N ATOM 1035 CA ARG A 71 -0.331 -12.231 0.670 1.00 0.00 C ATOM 1036 C ARG A 71 -1.274 -11.683 1.738 1.00 0.00 C ATOM 1037 O ARG A 71 -2.425 -11.356 1.453 1.00 0.00 O ATOM 1038 CB ARG A 71 -0.319 -13.760 0.721 1.00 0.00 C ATOM 1039 CG ARG A 71 0.172 -14.321 2.045 1.00 0.00 C ATOM 1040 CD ARG A 71 -0.970 -14.497 3.034 1.00 0.00 C ATOM 1041 NE ARG A 71 -1.703 -15.739 2.809 1.00 0.00 N ATOM 1042 CZ ARG A 71 -2.810 -15.818 2.077 1.00 0.00 C ATOM 1043 NH1 ARG A 71 -3.307 -14.731 1.503 1.00 0.00 N ATOM 1044 NH2 ARG A 71 -3.420 -16.985 1.919 1.00 0.00 N ATOM 0 H ARG A 71 1.713 -12.411 1.101 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.691 -11.910 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.327 -14.129 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.315 -14.137 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.660 -15.281 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.922 -13.653 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.574 -14.489 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.654 -13.652 2.952 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.346 -16.593 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.840 -13.832 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.156 -14.794 0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.040 -17.823 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.269 -17.045 1.357 1.00 0.00 H new ATOM 1058 N GLU A 72 -0.776 -11.588 2.967 1.00 0.00 N ATOM 1059 CA GLU A 72 -1.575 -11.082 4.076 1.00 0.00 C ATOM 1060 C GLU A 72 -1.966 -9.625 3.845 1.00 0.00 C ATOM 1061 O GLU A 72 -3.091 -9.219 4.136 1.00 0.00 O ATOM 1062 CB GLU A 72 -0.802 -11.211 5.391 1.00 0.00 C ATOM 1063 CG GLU A 72 -1.692 -11.209 6.622 1.00 0.00 C ATOM 1064 CD GLU A 72 -2.421 -12.525 6.817 1.00 0.00 C ATOM 1065 OE1 GLU A 72 -3.450 -12.739 6.144 1.00 0.00 O ATOM 1066 OE2 GLU A 72 -1.960 -13.340 7.644 1.00 0.00 O ATOM 0 H GLU A 72 0.176 -11.855 3.219 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.485 -11.679 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.223 -12.134 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.090 -10.389 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.086 -10.999 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.421 -10.403 6.537 1.00 0.00 H new ATOM 1073 N ALA A 73 -1.029 -8.843 3.319 1.00 0.00 N ATOM 1074 CA ALA A 73 -1.275 -7.433 3.046 1.00 0.00 C ATOM 1075 C ALA A 73 -2.320 -7.259 1.949 1.00 0.00 C ATOM 1076 O ALA A 73 -3.285 -6.512 2.110 1.00 0.00 O ATOM 1077 CB ALA A 73 0.021 -6.736 2.658 1.00 0.00 C ATOM 0 H ALA A 73 -0.092 -9.163 3.073 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.663 -6.975 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.178 -5.683 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.738 -6.820 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.433 -7.205 1.764 1.00 0.00 H new ATOM 1083 N ALA A 74 -2.121 -7.954 0.834 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.047 -7.878 -0.289 1.00 0.00 C ATOM 1085 C ALA A 74 -4.493 -7.968 0.185 1.00 0.00 C ATOM 1086 O ALA A 74 -5.374 -7.290 -0.345 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.750 -8.981 -1.294 1.00 0.00 C ATOM 0 H ALA A 74 -1.327 -8.576 0.684 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.911 -6.912 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.449 -8.912 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.731 -8.870 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.856 -9.952 -0.811 1.00 0.00 H new ATOM 1093 N ARG A 75 -4.732 -8.808 1.187 1.00 0.00 N ATOM 1094 CA ARG A 75 -6.073 -8.988 1.731 1.00 0.00 C ATOM 1095 C ARG A 75 -6.483 -7.785 2.575 1.00 0.00 C ATOM 1096 O ARG A 75 -7.603 -7.287 2.460 1.00 0.00 O ATOM 1097 CB ARG A 75 -6.137 -10.262 2.575 1.00 0.00 C ATOM 1098 CG ARG A 75 -7.452 -10.435 3.318 1.00 0.00 C ATOM 1099 CD ARG A 75 -7.327 -11.452 4.441 1.00 0.00 C ATOM 1100 NE ARG A 75 -8.612 -12.064 4.770 1.00 0.00 N ATOM 1101 CZ ARG A 75 -8.796 -12.873 5.808 1.00 0.00 C ATOM 1102 NH1 ARG A 75 -7.785 -13.164 6.614 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -9.995 -13.391 6.042 1.00 0.00 N ATOM 0 H ARG A 75 -4.014 -9.375 1.639 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.768 -9.078 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.979 -11.125 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.320 -10.251 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.769 -9.476 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.226 -10.755 2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.619 -12.228 4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.920 -10.965 5.327 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.411 -11.859 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.862 -12.767 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.930 -13.785 7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.776 -13.168 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.136 -14.012 6.839 1.00 0.00 H new ATOM 1117 N ILE A 76 -5.568 -7.323 3.421 1.00 0.00 N ATOM 1118 CA ILE A 76 -5.835 -6.179 4.283 1.00 0.00 C ATOM 1119 C ILE A 76 -6.286 -4.971 3.469 1.00 0.00 C ATOM 1120 O ILE A 76 -7.306 -4.351 3.773 1.00 0.00 O ATOM 1121 CB ILE A 76 -4.592 -5.793 5.107 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -4.248 -6.903 6.102 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -4.826 -4.477 5.833 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -2.838 -6.813 6.644 1.00 0.00 C ATOM 0 H ILE A 76 -4.636 -7.723 3.527 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.634 -6.475 4.963 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.749 -5.666 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.951 -6.865 6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.381 -7.870 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.939 -4.218 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.028 -3.691 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.679 -4.578 6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.664 -7.631 7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.127 -6.881 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.706 -5.861 7.159 1.00 0.00 H new ATOM 1136 N ILE A 77 -5.521 -4.643 2.433 1.00 0.00 N ATOM 1137 CA ILE A 77 -5.845 -3.511 1.574 1.00 0.00 C ATOM 1138 C ILE A 77 -7.238 -3.658 0.972 1.00 0.00 C ATOM 1139 O ILE A 77 -8.080 -2.770 1.106 1.00 0.00 O ATOM 1140 CB ILE A 77 -4.820 -3.358 0.435 1.00 0.00 C ATOM 1141 CG1 ILE A 77 -3.409 -3.200 1.006 1.00 0.00 C ATOM 1142 CG2 ILE A 77 -5.177 -2.169 -0.444 1.00 0.00 C ATOM 1143 CD1 ILE A 77 -2.320 -3.666 0.065 1.00 0.00 C ATOM 0 H ILE A 77 -4.673 -5.145 2.168 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.815 -2.620 2.202 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.845 -4.259 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.241 -2.152 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.338 -3.762 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.443 -2.075 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.167 -2.320 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.178 -1.260 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.347 -3.524 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.463 -4.722 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.364 -3.087 -0.858 1.00 0.00 H new ATOM 1155 N ALA A 78 -7.475 -4.785 0.310 1.00 0.00 N ATOM 1156 CA ALA A 78 -8.768 -5.051 -0.309 1.00 0.00 C ATOM 1157 C ALA A 78 -9.908 -4.794 0.670 1.00 0.00 C ATOM 1158 O ALA A 78 -10.898 -4.149 0.328 1.00 0.00 O ATOM 1159 CB ALA A 78 -8.823 -6.482 -0.823 1.00 0.00 C ATOM 0 H ALA A 78 -6.788 -5.529 0.188 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.887 -4.370 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.794 -6.666 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.037 -6.633 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.678 -7.173 0.008 1.00 0.00 H new ATOM 1165 N GLU A 79 -9.762 -5.305 1.889 1.00 0.00 N ATOM 1166 CA GLU A 79 -10.782 -5.132 2.916 1.00 0.00 C ATOM 1167 C GLU A 79 -11.090 -3.653 3.133 1.00 0.00 C ATOM 1168 O GLU A 79 -12.229 -3.279 3.410 1.00 0.00 O ATOM 1169 CB GLU A 79 -10.326 -5.768 4.231 1.00 0.00 C ATOM 1170 CG GLU A 79 -10.275 -7.286 4.188 1.00 0.00 C ATOM 1171 CD GLU A 79 -10.502 -7.916 5.548 1.00 0.00 C ATOM 1172 OE1 GLU A 79 -9.964 -7.387 6.543 1.00 0.00 O ATOM 1173 OE2 GLU A 79 -11.216 -8.938 5.617 1.00 0.00 O ATOM 0 H GLU A 79 -8.948 -5.842 2.189 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.691 -5.629 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.337 -5.387 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.002 -5.458 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.030 -7.652 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.306 -7.602 3.802 1.00 0.00 H new ATOM 1180 N ALA A 80 -10.065 -2.817 3.007 1.00 0.00 N ATOM 1181 CA ALA A 80 -10.225 -1.379 3.187 1.00 0.00 C ATOM 1182 C ALA A 80 -11.041 -0.771 2.052 1.00 0.00 C ATOM 1183 O ALA A 80 -11.714 0.244 2.233 1.00 0.00 O ATOM 1184 CB ALA A 80 -8.864 -0.705 3.282 1.00 0.00 C ATOM 0 H ALA A 80 -9.115 -3.111 2.781 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.767 -1.212 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.998 0.368 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.315 -1.111 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.302 -0.889 2.366 1.00 0.00 H new ATOM 1190 N PHE A 81 -10.977 -1.397 0.882 1.00 0.00 N ATOM 1191 CA PHE A 81 -11.710 -0.916 -0.283 1.00 0.00 C ATOM 1192 C PHE A 81 -13.192 -1.263 -0.176 1.00 0.00 C ATOM 1193 O PHE A 81 -14.058 -0.410 -0.373 1.00 0.00 O ATOM 1194 CB PHE A 81 -11.126 -1.517 -1.563 1.00 0.00 C ATOM 1195 CG PHE A 81 -11.374 -0.681 -2.786 1.00 0.00 C ATOM 1196 CD1 PHE A 81 -10.931 0.631 -2.846 1.00 0.00 C ATOM 1197 CD2 PHE A 81 -12.049 -1.206 -3.876 1.00 0.00 C ATOM 1198 CE1 PHE A 81 -11.159 1.403 -3.969 1.00 0.00 C ATOM 1199 CE2 PHE A 81 -12.279 -0.439 -5.003 1.00 0.00 C ATOM 1200 CZ PHE A 81 -11.833 0.867 -5.049 1.00 0.00 C ATOM 0 H PHE A 81 -10.425 -2.238 0.715 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.611 0.169 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -10.052 -1.650 -1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -11.553 -2.508 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.402 1.055 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -12.400 -2.227 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.811 2.425 -4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -12.807 -0.861 -5.846 1.00 0.00 H new ATOM 0 HZ PHE A 81 -12.011 1.469 -5.928 1.00 0.00 H new ATOM 1210 N LYS A 82 -13.477 -2.522 0.139 1.00 0.00 N ATOM 1211 CA LYS A 82 -14.853 -2.985 0.274 1.00 0.00 C ATOM 1212 C LYS A 82 -15.593 -2.186 1.343 1.00 0.00 C ATOM 1213 O LYS A 82 -16.595 -1.529 1.060 1.00 0.00 O ATOM 1214 CB LYS A 82 -14.880 -4.474 0.624 1.00 0.00 C ATOM 1215 CG LYS A 82 -14.723 -5.385 -0.580 1.00 0.00 C ATOM 1216 CD LYS A 82 -14.486 -6.827 -0.162 1.00 0.00 C ATOM 1217 CE LYS A 82 -13.027 -7.072 0.190 1.00 0.00 C ATOM 1218 NZ LYS A 82 -12.719 -8.525 0.299 1.00 0.00 N ATOM 0 H LYS A 82 -12.773 -3.241 0.306 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.356 -2.834 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.082 -4.686 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.821 -4.704 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.618 -5.327 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.889 -5.041 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.114 -7.066 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.784 -7.495 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.389 -6.622 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.794 -6.579 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.715 -8.650 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.309 -8.950 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.917 -8.991 -0.609 1.00 0.00 H new ATOM 1232 N THR A 83 -15.092 -2.246 2.573 1.00 0.00 N ATOM 1233 CA THR A 83 -15.704 -1.529 3.684 1.00 0.00 C ATOM 1234 C THR A 83 -16.290 -0.199 3.223 1.00 0.00 C ATOM 1235 O THR A 83 -15.758 0.446 2.319 1.00 0.00 O ATOM 1236 CB THR A 83 -14.689 -1.267 4.812 1.00 0.00 C ATOM 1237 OG1 THR A 83 -15.314 -0.540 5.875 1.00 0.00 O ATOM 1238 CG2 THR A 83 -13.492 -0.486 4.291 1.00 0.00 C ATOM 0 H THR A 83 -14.263 -2.785 2.825 1.00 0.00 H new ATOM 0 HA THR A 83 -16.504 -2.163 4.067 1.00 0.00 H new ATOM 0 HB THR A 83 -14.340 -2.229 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.662 -0.379 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.788 -0.313 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 83 -13.001 -1.056 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.828 0.471 3.892 1.00 0.00 H new ATOM 1246 N LYS A 84 -17.388 0.208 3.851 1.00 0.00 N ATOM 1247 CA LYS A 84 -18.045 1.463 3.508 1.00 0.00 C ATOM 1248 C LYS A 84 -17.825 2.509 4.597 1.00 0.00 C ATOM 1249 O LYS A 84 -18.609 3.447 4.738 1.00 0.00 O ATOM 1250 CB LYS A 84 -19.545 1.237 3.300 1.00 0.00 C ATOM 1251 CG LYS A 84 -19.908 0.834 1.881 1.00 0.00 C ATOM 1252 CD LYS A 84 -21.354 0.381 1.783 1.00 0.00 C ATOM 1253 CE LYS A 84 -21.528 -1.043 2.289 1.00 0.00 C ATOM 1254 NZ LYS A 84 -22.822 -1.634 1.851 1.00 0.00 N ATOM 0 H LYS A 84 -17.842 -0.314 4.601 1.00 0.00 H new ATOM 0 HA LYS A 84 -17.606 1.832 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -19.886 0.463 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.081 2.151 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -19.743 1.676 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.251 0.030 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.987 1.054 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.686 0.443 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -20.706 -1.660 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -21.476 -1.050 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -22.902 -2.604 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -23.608 -1.060 2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -22.862 -1.651 0.812 1.00 0.00 H new ATOM 1268 N ASP A 85 -16.752 2.341 5.362 1.00 0.00 N ATOM 1269 CA ASP A 85 -16.426 3.272 6.436 1.00 0.00 C ATOM 1270 C ASP A 85 -15.844 4.566 5.876 1.00 0.00 C ATOM 1271 O ASP A 85 -16.094 5.650 6.404 1.00 0.00 O ATOM 1272 CB ASP A 85 -15.437 2.633 7.411 1.00 0.00 C ATOM 1273 CG ASP A 85 -15.537 3.220 8.806 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -15.536 4.462 8.928 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -15.615 2.436 9.775 1.00 0.00 O ATOM 0 H ASP A 85 -16.093 1.569 5.258 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.347 3.510 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.620 1.559 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.423 2.768 7.035 1.00 0.00 H new ATOM 1280 N ARG A 86 -15.066 4.445 4.806 1.00 0.00 N ATOM 1281 CA ARG A 86 -14.447 5.604 4.176 1.00 0.00 C ATOM 1282 C ARG A 86 -14.360 5.420 2.664 1.00 0.00 C ATOM 1283 O ARG A 86 -14.333 4.294 2.166 1.00 0.00 O ATOM 1284 CB ARG A 86 -13.049 5.839 4.753 1.00 0.00 C ATOM 1285 CG ARG A 86 -12.277 4.557 5.019 1.00 0.00 C ATOM 1286 CD ARG A 86 -11.265 4.739 6.139 1.00 0.00 C ATOM 1287 NE ARG A 86 -11.836 4.433 7.448 1.00 0.00 N ATOM 1288 CZ ARG A 86 -11.332 4.881 8.593 1.00 0.00 C ATOM 1289 NH1 ARG A 86 -10.252 5.651 8.590 1.00 0.00 N ATOM 1290 NH2 ARG A 86 -11.908 4.559 9.744 1.00 0.00 N ATOM 0 H ARG A 86 -14.849 3.555 4.357 1.00 0.00 H new ATOM 0 HA ARG A 86 -15.070 6.474 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.479 6.459 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.139 6.399 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.973 3.760 5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.763 4.245 4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.405 4.094 5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.900 5.766 6.134 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.667 3.843 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.806 5.901 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.867 5.993 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.739 3.967 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.520 4.903 10.622 1.00 0.00 H new ATOM 1304 N ASP A 87 -14.316 6.532 1.939 1.00 0.00 N ATOM 1305 CA ASP A 87 -14.232 6.494 0.483 1.00 0.00 C ATOM 1306 C ASP A 87 -12.781 6.580 0.021 1.00 0.00 C ATOM 1307 O ASP A 87 -12.493 7.088 -1.063 1.00 0.00 O ATOM 1308 CB ASP A 87 -15.043 7.638 -0.126 1.00 0.00 C ATOM 1309 CG ASP A 87 -14.673 8.986 0.460 1.00 0.00 C ATOM 1310 OD1 ASP A 87 -13.501 9.394 0.318 1.00 0.00 O ATOM 1311 OD2 ASP A 87 -15.556 9.634 1.059 1.00 0.00 O ATOM 0 H ASP A 87 -14.337 7.472 2.336 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.647 5.545 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.884 7.658 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.105 7.453 0.037 1.00 0.00 H new ATOM 1316 N TYR A 88 -11.871 6.080 0.849 1.00 0.00 N ATOM 1317 CA TYR A 88 -10.449 6.104 0.527 1.00 0.00 C ATOM 1318 C TYR A 88 -9.682 5.090 1.371 1.00 0.00 C ATOM 1319 O TYR A 88 -10.219 4.529 2.326 1.00 0.00 O ATOM 1320 CB TYR A 88 -9.877 7.505 0.749 1.00 0.00 C ATOM 1321 CG TYR A 88 -9.752 7.884 2.207 1.00 0.00 C ATOM 1322 CD1 TYR A 88 -8.801 7.284 3.023 1.00 0.00 C ATOM 1323 CD2 TYR A 88 -10.585 8.844 2.770 1.00 0.00 C ATOM 1324 CE1 TYR A 88 -8.684 7.627 4.356 1.00 0.00 C ATOM 1325 CE2 TYR A 88 -10.475 9.194 4.102 1.00 0.00 C ATOM 1326 CZ TYR A 88 -9.523 8.582 4.891 1.00 0.00 C ATOM 1327 OH TYR A 88 -9.409 8.928 6.218 1.00 0.00 O ATOM 0 H TYR A 88 -12.093 5.653 1.748 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.336 5.835 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.894 7.565 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.515 8.232 0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.142 6.536 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.331 9.325 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.939 7.150 4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.130 9.942 4.523 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.073 9.615 6.435 1.00 0.00 H new ATOM 1337 N ILE A 89 -8.424 4.862 1.011 1.00 0.00 N ATOM 1338 CA ILE A 89 -7.582 3.918 1.735 1.00 0.00 C ATOM 1339 C ILE A 89 -6.223 4.530 2.061 1.00 0.00 C ATOM 1340 O ILE A 89 -5.476 4.922 1.164 1.00 0.00 O ATOM 1341 CB ILE A 89 -7.368 2.622 0.931 1.00 0.00 C ATOM 1342 CG1 ILE A 89 -8.708 1.930 0.672 1.00 0.00 C ATOM 1343 CG2 ILE A 89 -6.418 1.691 1.669 1.00 0.00 C ATOM 1344 CD1 ILE A 89 -8.632 0.837 -0.371 1.00 0.00 C ATOM 0 H ILE A 89 -7.965 5.318 0.222 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.103 3.679 2.662 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.921 2.877 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.075 1.505 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.437 2.675 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.277 0.780 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.457 2.186 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.839 1.439 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.618 0.391 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.296 1.260 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.928 0.071 -0.045 1.00 0.00 H new ATOM 1356 N ASP A 90 -5.910 4.608 3.349 1.00 0.00 N ATOM 1357 CA ASP A 90 -4.640 5.170 3.794 1.00 0.00 C ATOM 1358 C ASP A 90 -3.478 4.259 3.410 1.00 0.00 C ATOM 1359 O ASP A 90 -3.474 3.071 3.733 1.00 0.00 O ATOM 1360 CB ASP A 90 -4.656 5.386 5.309 1.00 0.00 C ATOM 1361 CG ASP A 90 -3.277 5.259 5.926 1.00 0.00 C ATOM 1362 OD1 ASP A 90 -2.287 5.591 5.241 1.00 0.00 O ATOM 1363 OD2 ASP A 90 -3.189 4.828 7.095 1.00 0.00 O ATOM 0 H ASP A 90 -6.518 4.289 4.104 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.503 6.131 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.059 6.375 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.325 4.660 5.770 1.00 0.00 H new ATOM 1368 N PHE A 91 -2.494 4.824 2.718 1.00 0.00 N ATOM 1369 CA PHE A 91 -1.327 4.062 2.288 1.00 0.00 C ATOM 1370 C PHE A 91 -0.039 4.721 2.772 1.00 0.00 C ATOM 1371 O PHE A 91 0.400 5.732 2.221 1.00 0.00 O ATOM 1372 CB PHE A 91 -1.308 3.936 0.763 1.00 0.00 C ATOM 1373 CG PHE A 91 -2.307 2.949 0.231 1.00 0.00 C ATOM 1374 CD1 PHE A 91 -2.067 1.587 0.311 1.00 0.00 C ATOM 1375 CD2 PHE A 91 -3.487 3.384 -0.351 1.00 0.00 C ATOM 1376 CE1 PHE A 91 -2.984 0.676 -0.178 1.00 0.00 C ATOM 1377 CE2 PHE A 91 -4.409 2.478 -0.841 1.00 0.00 C ATOM 1378 CZ PHE A 91 -4.157 1.123 -0.756 1.00 0.00 C ATOM 0 H PHE A 91 -2.481 5.806 2.443 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.392 3.066 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -1.505 4.914 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -0.309 3.638 0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.152 1.233 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.689 4.443 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.784 -0.383 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.326 2.830 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.875 0.414 -1.140 1.00 0.00 H new ATOM 1388 N LEU A 92 0.563 4.142 3.805 1.00 0.00 N ATOM 1389 CA LEU A 92 1.802 4.672 4.364 1.00 0.00 C ATOM 1390 C LEU A 92 3.013 4.150 3.598 1.00 0.00 C ATOM 1391 O LEU A 92 3.408 2.994 3.753 1.00 0.00 O ATOM 1392 CB LEU A 92 1.918 4.297 5.843 1.00 0.00 C ATOM 1393 CG LEU A 92 3.323 4.362 6.443 1.00 0.00 C ATOM 1394 CD1 LEU A 92 3.795 5.804 6.541 1.00 0.00 C ATOM 1395 CD2 LEU A 92 3.350 3.695 7.810 1.00 0.00 C ATOM 0 H LEU A 92 0.213 3.306 4.273 1.00 0.00 H new ATOM 0 HA LEU A 92 1.778 5.758 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.268 4.958 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.536 3.284 5.972 1.00 0.00 H new ATOM 0 HG LEU A 92 4.004 3.823 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.797 5.831 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.815 6.249 5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.113 6.368 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.358 3.751 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.656 4.206 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.056 2.650 7.711 1.00 0.00 H new ATOM 1407 N VAL A 93 3.600 5.010 2.772 1.00 0.00 N ATOM 1408 CA VAL A 93 4.768 4.637 1.984 1.00 0.00 C ATOM 1409 C VAL A 93 5.984 5.470 2.374 1.00 0.00 C ATOM 1410 O VAL A 93 5.850 6.580 2.892 1.00 0.00 O ATOM 1411 CB VAL A 93 4.506 4.807 0.475 1.00 0.00 C ATOM 1412 CG1 VAL A 93 3.400 3.869 0.016 1.00 0.00 C ATOM 1413 CG2 VAL A 93 4.157 6.253 0.156 1.00 0.00 C ATOM 0 H VAL A 93 3.285 5.970 2.631 1.00 0.00 H new ATOM 0 HA VAL A 93 4.968 3.586 2.194 1.00 0.00 H new ATOM 0 HB VAL A 93 5.416 4.548 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.229 4.003 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.694 2.837 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.483 4.093 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.975 6.356 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.261 6.541 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.985 6.900 0.447 1.00 0.00 H new ATOM 1423 N THR A 94 7.172 4.928 2.123 1.00 0.00 N ATOM 1424 CA THR A 94 8.412 5.621 2.449 1.00 0.00 C ATOM 1425 C THR A 94 9.455 5.424 1.355 1.00 0.00 C ATOM 1426 O THR A 94 10.015 4.338 1.208 1.00 0.00 O ATOM 1427 CB THR A 94 8.992 5.134 3.790 1.00 0.00 C ATOM 1428 OG1 THR A 94 10.176 5.873 4.109 1.00 0.00 O ATOM 1429 CG2 THR A 94 9.315 3.648 3.732 1.00 0.00 C ATOM 0 H THR A 94 7.301 4.011 1.695 1.00 0.00 H new ATOM 0 HA THR A 94 8.170 6.681 2.530 1.00 0.00 H new ATOM 0 HB THR A 94 8.243 5.297 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.538 5.558 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.723 3.327 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.406 3.086 3.518 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.048 3.465 2.946 1.00 0.00 H new