USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 130:sc= -0.563 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.0676 X(o=0.068,f=-0.18) USER MOD Single : A 25 CYS SG : rot 46:sc= -0.555 USER MOD Single : A 28 SER OG : rot -170:sc= -0.933 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 140:sc= -0.4 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0865 X(o=-0.086,f=-0.56) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= -0.0164 (180deg=-0.125) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 133:sc= 0.0199 USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0189) USER MOD Single : A 70 CYS SG : rot 170:sc=-0.00285 USER MOD Single : A 71 SER OG : rot -50:sc= 1.24 USER MOD Single : A 75 HIS : no HD1:sc= -0.794 X(o=-0.79,f=-0.6) USER MOD Single : A 76 MET CE :methyl 147:sc= -1.72 (180deg=-2.2) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 1.090 -3.103 -12.959 1.00 0.00 N ATOM 42 CA VAL A 3 2.245 -2.732 -12.124 1.00 0.00 C ATOM 43 C VAL A 3 2.442 -1.208 -12.019 1.00 0.00 C ATOM 44 O VAL A 3 2.994 -0.567 -12.918 1.00 0.00 O ATOM 45 CB VAL A 3 3.546 -3.415 -12.630 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.907 -2.969 -14.042 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.699 -3.161 -11.667 1.00 0.00 C ATOM 0 HA VAL A 3 2.025 -3.095 -11.120 1.00 0.00 H new ATOM 0 HB VAL A 3 3.359 -4.488 -12.667 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.822 -3.469 -14.359 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.097 -3.229 -14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.060 -1.890 -14.055 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.599 -3.648 -12.041 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.874 -2.088 -11.584 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.449 -3.564 -10.686 1.00 0.00 H new ATOM 57 N ARG A 4 1.992 -0.640 -10.897 1.00 0.00 N ATOM 58 CA ARG A 4 2.104 0.795 -10.652 1.00 0.00 C ATOM 59 C ARG A 4 2.789 1.071 -9.310 1.00 0.00 C ATOM 60 O ARG A 4 2.453 0.457 -8.298 1.00 0.00 O ATOM 61 CB ARG A 4 0.710 1.430 -10.673 1.00 0.00 C ATOM 62 CG ARG A 4 0.702 2.913 -10.336 1.00 0.00 C ATOM 63 CD ARG A 4 -0.718 3.440 -10.171 1.00 0.00 C ATOM 64 NE ARG A 4 -0.739 4.806 -9.646 1.00 0.00 N ATOM 65 CZ ARG A 4 -1.813 5.383 -9.100 1.00 0.00 C ATOM 66 NH1 ARG A 4 -2.966 4.720 -9.004 1.00 0.00 N ATOM 67 NH2 ARG A 4 -1.734 6.628 -8.646 1.00 0.00 N ATOM 0 H ARG A 4 1.544 -1.158 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 4 2.716 1.235 -11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.273 1.290 -11.662 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.071 0.903 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.263 3.081 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.208 3.469 -11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.228 3.414 -11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.272 2.785 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 4 0.121 5.352 -9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.034 3.763 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.780 5.170 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.855 7.141 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.552 7.072 -8.229 1.00 0.00 H new ATOM 81 N SER A 5 3.741 2.005 -9.313 1.00 0.00 N ATOM 82 CA SER A 5 4.470 2.370 -8.098 1.00 0.00 C ATOM 83 C SER A 5 3.851 3.602 -7.439 1.00 0.00 C ATOM 84 O SER A 5 3.607 4.612 -8.101 1.00 0.00 O ATOM 85 CB SER A 5 5.943 2.637 -8.421 1.00 0.00 C ATOM 86 OG SER A 5 6.675 1.424 -8.498 1.00 0.00 O ATOM 0 H SER A 5 4.025 2.523 -10.144 1.00 0.00 H new ATOM 0 HA SER A 5 4.403 1.535 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.020 3.173 -9.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.376 3.279 -7.654 1.00 0.00 H new ATOM 0 HG SER A 5 7.612 1.620 -8.707 1.00 0.00 H new ATOM 92 N VAL A 6 3.602 3.510 -6.130 1.00 0.00 N ATOM 93 CA VAL A 6 3.012 4.617 -5.377 1.00 0.00 C ATOM 94 C VAL A 6 3.902 5.030 -4.204 1.00 0.00 C ATOM 95 O VAL A 6 4.483 4.181 -3.524 1.00 0.00 O ATOM 96 CB VAL A 6 1.608 4.251 -4.838 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.942 5.465 -4.204 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.733 3.676 -5.944 1.00 0.00 C ATOM 0 H VAL A 6 3.800 2.680 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 6 2.922 5.453 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 6 1.730 3.486 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.044 5.186 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.554 5.825 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.839 6.254 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.248 3.427 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.621 4.413 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.199 2.776 -6.346 1.00 0.00 H new ATOM 108 N GLU A 7 3.998 6.342 -3.976 1.00 0.00 N ATOM 109 CA GLU A 7 4.812 6.882 -2.887 1.00 0.00 C ATOM 110 C GLU A 7 3.947 7.623 -1.867 1.00 0.00 C ATOM 111 O GLU A 7 3.182 8.519 -2.225 1.00 0.00 O ATOM 112 CB GLU A 7 5.881 7.826 -3.442 1.00 0.00 C ATOM 113 CG GLU A 7 7.231 7.159 -3.650 1.00 0.00 C ATOM 114 CD GLU A 7 8.388 8.134 -3.563 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.435 9.079 -4.379 1.00 0.00 O ATOM 116 OE2 GLU A 7 9.251 7.950 -2.680 1.00 0.00 O ATOM 0 H GLU A 7 3.521 7.051 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 7 5.296 6.045 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.536 8.234 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.002 8.667 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.364 6.377 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.244 6.673 -4.625 1.00 0.00 H new ATOM 123 N VAL A 8 4.082 7.247 -0.596 1.00 0.00 N ATOM 124 CA VAL A 8 3.322 7.878 0.484 1.00 0.00 C ATOM 125 C VAL A 8 4.261 8.391 1.575 1.00 0.00 C ATOM 126 O VAL A 8 5.210 7.710 1.952 1.00 0.00 O ATOM 127 CB VAL A 8 2.306 6.897 1.113 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.385 7.623 2.083 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.496 6.189 0.035 1.00 0.00 C ATOM 0 H VAL A 8 4.712 6.507 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 8 2.776 8.714 0.046 1.00 0.00 H new ATOM 0 HB VAL A 8 2.865 6.144 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.678 6.914 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.978 8.074 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.839 8.402 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.788 5.504 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.952 6.927 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.167 5.629 -0.615 1.00 0.00 H new ATOM 139 N ALA A 9 3.987 9.591 2.084 1.00 0.00 N ATOM 140 CA ALA A 9 4.808 10.181 3.133 1.00 0.00 C ATOM 141 C ALA A 9 4.148 10.003 4.494 1.00 0.00 C ATOM 142 O ALA A 9 3.263 10.772 4.876 1.00 0.00 O ATOM 143 CB ALA A 9 5.064 11.654 2.849 1.00 0.00 C ATOM 0 H ALA A 9 3.203 10.171 1.786 1.00 0.00 H new ATOM 0 HA ALA A 9 5.768 9.664 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.679 12.076 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.583 11.756 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.114 12.186 2.804 1.00 0.00 H new ATOM 149 N ARG A 10 4.588 8.973 5.214 1.00 0.00 N ATOM 150 CA ARG A 10 4.054 8.661 6.540 1.00 0.00 C ATOM 151 C ARG A 10 3.972 9.911 7.415 1.00 0.00 C ATOM 152 O ARG A 10 4.980 10.576 7.663 1.00 0.00 O ATOM 153 CB ARG A 10 4.925 7.606 7.232 1.00 0.00 C ATOM 154 CG ARG A 10 4.229 6.911 8.393 1.00 0.00 C ATOM 155 CD ARG A 10 5.105 6.887 9.635 1.00 0.00 C ATOM 156 NE ARG A 10 4.486 6.133 10.723 1.00 0.00 N ATOM 157 CZ ARG A 10 3.589 6.642 11.571 1.00 0.00 C ATOM 158 NH1 ARG A 10 3.193 7.908 11.457 1.00 0.00 N ATOM 159 NH2 ARG A 10 3.079 5.880 12.533 1.00 0.00 N ATOM 0 H ARG A 10 5.319 8.335 4.899 1.00 0.00 H new ATOM 0 HA ARG A 10 3.046 8.268 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.227 6.858 6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.836 8.081 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.293 7.423 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.974 5.891 8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.071 6.445 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.297 7.908 9.964 1.00 0.00 H new ATOM 0 HE ARG A 10 4.756 5.157 10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.575 8.497 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.507 8.289 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.373 4.907 12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.394 6.268 13.181 1.00 0.00 H new ATOM 173 N GLY A 11 2.760 10.220 7.879 1.00 0.00 N ATOM 174 CA GLY A 11 2.556 11.384 8.720 1.00 0.00 C ATOM 175 C GLY A 11 2.913 11.122 10.171 1.00 0.00 C ATOM 176 O GLY A 11 3.992 10.607 10.467 1.00 0.00 O ATOM 0 H GLY A 11 1.916 9.681 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.160 12.210 8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.514 11.696 8.656 1.00 0.00 H new ATOM 180 N ARG A 12 2.007 11.475 11.077 1.00 0.00 N ATOM 181 CA ARG A 12 2.233 11.278 12.509 1.00 0.00 C ATOM 182 C ARG A 12 1.296 10.215 13.076 1.00 0.00 C ATOM 183 O ARG A 12 1.707 9.397 13.900 1.00 0.00 O ATOM 184 CB ARG A 12 2.069 12.605 13.261 1.00 0.00 C ATOM 185 CG ARG A 12 2.774 13.774 12.585 1.00 0.00 C ATOM 186 CD ARG A 12 3.534 14.633 13.585 1.00 0.00 C ATOM 187 NE ARG A 12 3.603 16.029 13.158 1.00 0.00 N ATOM 188 CZ ARG A 12 4.478 16.918 13.636 1.00 0.00 C ATOM 189 NH1 ARG A 12 5.367 16.563 14.561 1.00 0.00 N ATOM 190 NH2 ARG A 12 4.461 18.166 13.186 1.00 0.00 N ATOM 0 H ARG A 12 1.108 11.899 10.847 1.00 0.00 H new ATOM 0 HA ARG A 12 3.255 10.924 12.646 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.007 12.834 13.352 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.458 12.491 14.273 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.466 13.395 11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.040 14.388 12.063 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.047 14.574 14.559 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.543 14.240 13.709 1.00 0.00 H new ATOM 0 HE ARG A 12 2.941 16.345 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.384 15.605 14.911 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.031 17.249 14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.782 18.444 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.127 18.848 13.548 1.00 0.00 H new ATOM 204 N ALA A 13 0.042 10.216 12.623 1.00 0.00 N ATOM 205 CA ALA A 13 -0.935 9.237 13.085 1.00 0.00 C ATOM 206 C ALA A 13 -1.246 8.194 12.005 1.00 0.00 C ATOM 207 O ALA A 13 -2.333 7.609 11.992 1.00 0.00 O ATOM 208 CB ALA A 13 -2.212 9.933 13.539 1.00 0.00 C ATOM 0 H ALA A 13 -0.318 10.882 11.939 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.499 8.711 13.934 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.931 9.188 13.881 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.983 10.617 14.356 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.638 10.492 12.706 1.00 0.00 H new ATOM 214 N GLY A 14 -0.288 7.955 11.106 1.00 0.00 N ATOM 215 CA GLY A 14 -0.482 6.978 10.045 1.00 0.00 C ATOM 216 C GLY A 14 -0.310 7.570 8.657 1.00 0.00 C ATOM 217 O GLY A 14 -0.035 8.763 8.513 1.00 0.00 O ATOM 0 H GLY A 14 0.619 8.422 11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.227 6.161 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.481 6.550 10.131 1.00 0.00 H new ATOM 221 N TYR A 15 -0.476 6.731 7.635 1.00 0.00 N ATOM 222 CA TYR A 15 -0.343 7.172 6.243 1.00 0.00 C ATOM 223 C TYR A 15 -1.644 7.790 5.733 1.00 0.00 C ATOM 224 O TYR A 15 -1.622 8.713 4.919 1.00 0.00 O ATOM 225 CB TYR A 15 0.050 5.997 5.342 1.00 0.00 C ATOM 226 CG TYR A 15 1.373 5.349 5.702 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.562 5.798 5.140 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.428 4.286 6.595 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.768 5.206 5.460 1.00 0.00 C ATOM 230 CE2 TYR A 15 2.632 3.691 6.921 1.00 0.00 C ATOM 231 CZ TYR A 15 3.798 4.154 6.349 1.00 0.00 C ATOM 232 OH TYR A 15 4.999 3.563 6.668 1.00 0.00 O ATOM 0 H TYR A 15 -0.703 5.742 7.743 1.00 0.00 H new ATOM 0 HA TYR A 15 0.440 7.930 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.735 5.242 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.099 6.346 4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.543 6.622 4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.516 3.919 7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.684 5.566 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.659 2.868 7.620 1.00 0.00 H new ATOM 0 HH TYR A 15 5.085 3.502 7.642 1.00 0.00 H new ATOM 242 N GLY A 16 -2.773 7.264 6.206 1.00 0.00 N ATOM 243 CA GLY A 16 -4.068 7.765 5.781 1.00 0.00 C ATOM 244 C GLY A 16 -4.786 6.796 4.862 1.00 0.00 C ATOM 245 O GLY A 16 -5.292 7.189 3.809 1.00 0.00 O ATOM 0 H GLY A 16 -2.812 6.498 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.686 7.957 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.936 8.718 5.269 1.00 0.00 H new ATOM 249 N PHE A 17 -4.828 5.530 5.263 1.00 0.00 N ATOM 250 CA PHE A 17 -5.489 4.491 4.475 1.00 0.00 C ATOM 251 C PHE A 17 -5.636 3.200 5.281 1.00 0.00 C ATOM 252 O PHE A 17 -4.858 2.937 6.201 1.00 0.00 O ATOM 253 CB PHE A 17 -4.719 4.232 3.169 1.00 0.00 C ATOM 254 CG PHE A 17 -3.405 3.514 3.349 1.00 0.00 C ATOM 255 CD1 PHE A 17 -3.370 2.138 3.516 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.210 4.214 3.346 1.00 0.00 C ATOM 257 CE1 PHE A 17 -2.167 1.476 3.677 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.004 3.556 3.506 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.984 2.186 3.672 1.00 0.00 C ATOM 0 H PHE A 17 -4.411 5.196 6.132 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.489 4.844 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.350 3.646 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.532 5.186 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.293 1.577 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.220 5.286 3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.153 0.404 3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.079 4.114 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.043 1.670 3.798 1.00 0.00 H new ATOM 269 N THR A 18 -6.642 2.400 4.928 1.00 0.00 N ATOM 270 CA THR A 18 -6.903 1.136 5.613 1.00 0.00 C ATOM 271 C THR A 18 -6.323 -0.040 4.828 1.00 0.00 C ATOM 272 O THR A 18 -6.581 -0.191 3.631 1.00 0.00 O ATOM 273 CB THR A 18 -8.410 0.941 5.817 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.999 2.110 6.364 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.748 -0.214 6.737 1.00 0.00 C ATOM 0 H THR A 18 -7.291 2.607 4.169 1.00 0.00 H new ATOM 0 HA THR A 18 -6.416 1.172 6.587 1.00 0.00 H new ATOM 0 HB THR A 18 -8.807 0.723 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.961 1.966 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.830 -0.295 6.837 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.352 -1.140 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.305 -0.040 7.718 1.00 0.00 H new ATOM 283 N LEU A 19 -5.539 -0.871 5.514 1.00 0.00 N ATOM 284 CA LEU A 19 -4.915 -2.036 4.892 1.00 0.00 C ATOM 285 C LEU A 19 -5.598 -3.325 5.329 1.00 0.00 C ATOM 286 O LEU A 19 -5.729 -3.597 6.525 1.00 0.00 O ATOM 287 CB LEU A 19 -3.433 -2.108 5.258 1.00 0.00 C ATOM 288 CG LEU A 19 -2.480 -2.454 4.109 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.052 -2.580 4.623 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.917 -3.741 3.421 1.00 0.00 C ATOM 0 H LEU A 19 -5.321 -0.757 6.504 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.022 -1.927 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.134 -1.147 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.308 -2.851 6.045 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.513 -1.647 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.388 -2.826 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.741 -1.635 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.004 -3.369 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.228 -3.971 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.913 -4.559 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.923 -3.616 3.020 1.00 0.00 H new ATOM 302 N SER A 20 -6.008 -4.124 4.352 1.00 0.00 N ATOM 303 CA SER A 20 -6.657 -5.404 4.617 1.00 0.00 C ATOM 304 C SER A 20 -6.321 -6.409 3.524 1.00 0.00 C ATOM 305 O SER A 20 -6.446 -6.108 2.337 1.00 0.00 O ATOM 306 CB SER A 20 -8.174 -5.248 4.714 1.00 0.00 C ATOM 307 OG SER A 20 -8.541 -4.410 5.798 1.00 0.00 O ATOM 0 H SER A 20 -5.902 -3.907 3.361 1.00 0.00 H new ATOM 0 HA SER A 20 -6.283 -5.769 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.558 -4.830 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.635 -6.228 4.838 1.00 0.00 H new ATOM 0 HG SER A 20 -9.517 -4.329 5.833 1.00 0.00 H new ATOM 313 N GLY A 21 -5.898 -7.596 3.930 1.00 0.00 N ATOM 314 CA GLY A 21 -5.554 -8.624 2.969 1.00 0.00 C ATOM 315 C GLY A 21 -4.780 -9.757 3.596 1.00 0.00 C ATOM 316 O GLY A 21 -3.574 -9.886 3.378 1.00 0.00 O ATOM 0 H GLY A 21 -5.787 -7.866 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.465 -9.016 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.963 -8.184 2.165 1.00 0.00 H new ATOM 320 N GLN A 22 -5.479 -10.581 4.372 1.00 0.00 N ATOM 321 CA GLN A 22 -4.865 -11.726 5.039 1.00 0.00 C ATOM 322 C GLN A 22 -3.951 -12.485 4.073 1.00 0.00 C ATOM 323 O GLN A 22 -2.828 -12.855 4.425 1.00 0.00 O ATOM 324 CB GLN A 22 -5.955 -12.651 5.588 1.00 0.00 C ATOM 325 CG GLN A 22 -5.425 -13.786 6.440 1.00 0.00 C ATOM 326 CD GLN A 22 -4.522 -13.313 7.565 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.987 -13.001 8.661 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.220 -13.250 7.298 1.00 0.00 N ATOM 0 H GLN A 22 -6.477 -10.476 4.555 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.256 -11.367 5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.654 -12.061 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.518 -13.069 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.264 -14.338 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.873 -14.481 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.875 -13.518 6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.567 -12.934 8.015 1.00 0.00 H new ATOM 337 N ALA A 23 -4.436 -12.680 2.847 1.00 0.00 N ATOM 338 CA ALA A 23 -3.668 -13.355 1.805 1.00 0.00 C ATOM 339 C ALA A 23 -3.275 -12.356 0.713 1.00 0.00 C ATOM 340 O ALA A 23 -2.091 -12.074 0.526 1.00 0.00 O ATOM 341 CB ALA A 23 -4.448 -14.529 1.222 1.00 0.00 C ATOM 0 H ALA A 23 -5.364 -12.377 2.551 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.758 -13.757 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.852 -15.013 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.670 -15.247 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.380 -14.167 0.789 1.00 0.00 H new ATOM 347 N PRO A 24 -4.266 -11.784 -0.018 1.00 0.00 N ATOM 348 CA PRO A 24 -4.012 -10.807 -1.072 1.00 0.00 C ATOM 349 C PRO A 24 -4.050 -9.370 -0.541 1.00 0.00 C ATOM 350 O PRO A 24 -5.115 -8.752 -0.471 1.00 0.00 O ATOM 351 CB PRO A 24 -5.172 -11.061 -2.031 1.00 0.00 C ATOM 352 CG PRO A 24 -6.310 -11.480 -1.154 1.00 0.00 C ATOM 353 CD PRO A 24 -5.713 -12.033 0.125 1.00 0.00 C ATOM 0 HA PRO A 24 -3.026 -10.912 -1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.420 -10.164 -2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.924 -11.837 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.962 -10.633 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.921 -12.234 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.119 -11.532 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.926 -13.096 0.237 1.00 0.00 H new ATOM 361 N CYS A 25 -2.883 -8.850 -0.156 1.00 0.00 N ATOM 362 CA CYS A 25 -2.785 -7.489 0.377 1.00 0.00 C ATOM 363 C CYS A 25 -3.420 -6.479 -0.582 1.00 0.00 C ATOM 364 O CYS A 25 -2.987 -6.344 -1.730 1.00 0.00 O ATOM 365 CB CYS A 25 -1.320 -7.123 0.641 1.00 0.00 C ATOM 366 SG CYS A 25 -0.210 -7.448 -0.748 1.00 0.00 S ATOM 0 H CYS A 25 -1.995 -9.349 -0.203 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.331 -7.454 1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.262 -6.065 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.969 -7.681 1.509 1.00 0.00 H new ATOM 0 HG CYS A 25 -0.752 -7.015 -1.847 1.00 0.00 H new ATOM 372 N VAL A 26 -4.455 -5.784 -0.110 1.00 0.00 N ATOM 373 CA VAL A 26 -5.160 -4.799 -0.930 1.00 0.00 C ATOM 374 C VAL A 26 -5.671 -3.633 -0.080 1.00 0.00 C ATOM 375 O VAL A 26 -6.067 -3.819 1.071 1.00 0.00 O ATOM 376 CB VAL A 26 -6.345 -5.451 -1.680 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.328 -6.081 -0.702 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.052 -4.443 -2.579 1.00 0.00 C ATOM 0 H VAL A 26 -4.824 -5.885 0.836 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.446 -4.414 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.941 -6.240 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.152 -6.533 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.819 -6.848 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.717 -5.314 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.880 -4.932 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.435 -3.621 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.348 -4.055 -3.314 1.00 0.00 H new ATOM 388 N LEU A 27 -5.666 -2.430 -0.655 1.00 0.00 N ATOM 389 CA LEU A 27 -6.139 -1.245 0.057 1.00 0.00 C ATOM 390 C LEU A 27 -7.666 -1.243 0.138 1.00 0.00 C ATOM 391 O LEU A 27 -8.345 -0.723 -0.749 1.00 0.00 O ATOM 392 CB LEU A 27 -5.644 0.034 -0.624 1.00 0.00 C ATOM 393 CG LEU A 27 -4.376 0.642 -0.021 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.171 0.339 -0.897 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.544 2.143 0.165 1.00 0.00 C ATOM 0 H LEU A 27 -5.342 -2.252 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.734 -1.274 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.460 -0.181 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.439 0.779 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.207 0.192 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.278 0.779 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.042 -0.740 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.328 0.761 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.633 2.561 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.737 2.610 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.382 2.335 0.834 1.00 0.00 H new ATOM 407 N SER A 28 -8.195 -1.836 1.209 1.00 0.00 N ATOM 408 CA SER A 28 -9.642 -1.918 1.421 1.00 0.00 C ATOM 409 C SER A 28 -10.301 -0.539 1.352 1.00 0.00 C ATOM 410 O SER A 28 -11.425 -0.406 0.863 1.00 0.00 O ATOM 411 CB SER A 28 -9.944 -2.571 2.773 1.00 0.00 C ATOM 412 OG SER A 28 -10.259 -3.945 2.617 1.00 0.00 O ATOM 0 H SER A 28 -7.640 -2.269 1.947 1.00 0.00 H new ATOM 0 HA SER A 28 -10.058 -2.531 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.082 -2.465 3.432 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.777 -2.056 3.251 1.00 0.00 H new ATOM 0 HG SER A 28 -10.599 -4.301 3.464 1.00 0.00 H new ATOM 418 N CYS A 29 -9.599 0.482 1.842 1.00 0.00 N ATOM 419 CA CYS A 29 -10.117 1.849 1.830 1.00 0.00 C ATOM 420 C CYS A 29 -9.004 2.858 2.103 1.00 0.00 C ATOM 421 O CYS A 29 -7.943 2.501 2.619 1.00 0.00 O ATOM 422 CB CYS A 29 -11.237 2.013 2.864 1.00 0.00 C ATOM 423 SG CYS A 29 -12.456 3.277 2.437 1.00 0.00 S ATOM 0 H CYS A 29 -8.670 0.388 2.252 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.524 2.042 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.747 1.058 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.793 2.262 3.828 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.361 3.339 3.368 1.00 0.00 H new ATOM 429 N VAL A 30 -9.252 4.120 1.754 1.00 0.00 N ATOM 430 CA VAL A 30 -8.272 5.183 1.962 1.00 0.00 C ATOM 431 C VAL A 30 -8.915 6.391 2.641 1.00 0.00 C ATOM 432 O VAL A 30 -10.115 6.630 2.495 1.00 0.00 O ATOM 433 CB VAL A 30 -7.624 5.623 0.629 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.510 6.633 0.872 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.092 4.416 -0.130 1.00 0.00 C ATOM 0 H VAL A 30 -10.124 4.430 1.326 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.493 4.781 2.610 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.392 6.104 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.071 6.926 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.919 7.513 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.743 6.184 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.640 4.745 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.343 3.906 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.912 3.731 -0.345 1.00 0.00 H new ATOM 445 N MET A 31 -8.105 7.149 3.378 1.00 0.00 N ATOM 446 CA MET A 31 -8.582 8.330 4.078 1.00 0.00 C ATOM 447 C MET A 31 -8.455 9.557 3.191 1.00 0.00 C ATOM 448 O MET A 31 -7.377 10.138 3.051 1.00 0.00 O ATOM 449 CB MET A 31 -7.818 8.545 5.385 1.00 0.00 C ATOM 450 CG MET A 31 -7.749 7.310 6.274 1.00 0.00 C ATOM 451 SD MET A 31 -8.958 7.347 7.615 1.00 0.00 S ATOM 452 CE MET A 31 -9.374 5.608 7.745 1.00 0.00 C ATOM 0 H MET A 31 -7.110 6.961 3.503 1.00 0.00 H new ATOM 0 HA MET A 31 -9.633 8.174 4.321 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.804 8.869 5.152 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.291 9.354 5.941 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.914 6.420 5.666 1.00 0.00 H new ATOM 0 HG3 MET A 31 -6.747 7.227 6.696 1.00 0.00 H new ATOM 0 HE1 MET A 31 -10.113 5.469 8.534 1.00 0.00 H new ATOM 0 HE2 MET A 31 -9.785 5.260 6.797 1.00 0.00 H new ATOM 0 HE3 MET A 31 -8.477 5.036 7.983 1.00 0.00 H new ATOM 462 N ARG A 32 -9.574 9.930 2.593 1.00 0.00 N ATOM 463 CA ARG A 32 -9.644 11.083 1.699 1.00 0.00 C ATOM 464 C ARG A 32 -9.082 12.333 2.375 1.00 0.00 C ATOM 465 O ARG A 32 -9.556 12.744 3.437 1.00 0.00 O ATOM 466 CB ARG A 32 -11.090 11.325 1.254 1.00 0.00 C ATOM 467 CG ARG A 32 -11.829 10.057 0.851 1.00 0.00 C ATOM 468 CD ARG A 32 -12.842 10.316 -0.258 1.00 0.00 C ATOM 469 NE ARG A 32 -12.606 9.466 -1.427 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.532 9.178 -2.347 1.00 0.00 C ATOM 471 NH1 ARG A 32 -14.763 9.677 -2.252 1.00 0.00 N ATOM 472 NH2 ARG A 32 -13.224 8.388 -3.370 1.00 0.00 N ATOM 0 H ARG A 32 -10.463 9.444 2.711 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.036 10.868 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.634 11.809 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.090 12.018 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.110 9.308 0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.340 9.643 1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.848 10.139 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.794 11.363 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.675 9.068 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.008 10.286 -1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.461 9.450 -2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.283 8.003 -3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.929 8.167 -4.073 1.00 0.00 H new ATOM 486 N GLY A 33 -8.063 12.925 1.755 1.00 0.00 N ATOM 487 CA GLY A 33 -7.436 14.116 2.305 1.00 0.00 C ATOM 488 C GLY A 33 -6.126 13.810 3.019 1.00 0.00 C ATOM 489 O GLY A 33 -5.714 14.550 3.914 1.00 0.00 O ATOM 0 H GLY A 33 -7.659 12.599 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.250 14.829 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.123 14.595 3.003 1.00 0.00 H new ATOM 493 N SER A 34 -5.471 12.718 2.618 1.00 0.00 N ATOM 494 CA SER A 34 -4.202 12.312 3.213 1.00 0.00 C ATOM 495 C SER A 34 -3.159 12.058 2.120 1.00 0.00 C ATOM 496 O SER A 34 -3.491 12.059 0.934 1.00 0.00 O ATOM 497 CB SER A 34 -4.403 11.046 4.059 1.00 0.00 C ATOM 498 OG SER A 34 -3.938 11.235 5.386 1.00 0.00 O ATOM 0 H SER A 34 -5.803 12.098 1.879 1.00 0.00 H new ATOM 0 HA SER A 34 -3.841 13.115 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.460 10.781 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.873 10.211 3.601 1.00 0.00 H new ATOM 0 HG SER A 34 -4.559 10.811 6.014 1.00 0.00 H new ATOM 504 N PRO A 35 -1.881 11.839 2.503 1.00 0.00 N ATOM 505 CA PRO A 35 -0.793 11.584 1.545 1.00 0.00 C ATOM 506 C PRO A 35 -1.143 10.514 0.509 1.00 0.00 C ATOM 507 O PRO A 35 -0.658 10.558 -0.624 1.00 0.00 O ATOM 508 CB PRO A 35 0.353 11.106 2.436 1.00 0.00 C ATOM 509 CG PRO A 35 0.102 11.757 3.749 1.00 0.00 C ATOM 510 CD PRO A 35 -1.395 11.823 3.898 1.00 0.00 C ATOM 0 HA PRO A 35 -0.562 12.472 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.359 10.020 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.321 11.397 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.550 11.184 4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.542 12.754 3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.782 10.965 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.705 12.716 4.441 1.00 0.00 H new ATOM 518 N ALA A 36 -1.984 9.555 0.902 1.00 0.00 N ATOM 519 CA ALA A 36 -2.399 8.478 0.006 1.00 0.00 C ATOM 520 C ALA A 36 -3.298 9.006 -1.111 1.00 0.00 C ATOM 521 O ALA A 36 -3.063 8.732 -2.289 1.00 0.00 O ATOM 522 CB ALA A 36 -3.106 7.379 0.789 1.00 0.00 C ATOM 0 H ALA A 36 -2.390 9.504 1.836 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.505 8.058 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.409 6.584 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.428 6.974 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.987 7.791 1.280 1.00 0.00 H new ATOM 528 N ASP A 37 -4.325 9.765 -0.731 1.00 0.00 N ATOM 529 CA ASP A 37 -5.262 10.335 -1.700 1.00 0.00 C ATOM 530 C ASP A 37 -4.572 11.345 -2.616 1.00 0.00 C ATOM 531 O ASP A 37 -4.949 11.486 -3.780 1.00 0.00 O ATOM 532 CB ASP A 37 -6.439 11.003 -0.984 1.00 0.00 C ATOM 533 CG ASP A 37 -7.781 10.555 -1.535 1.00 0.00 C ATOM 534 OD1 ASP A 37 -8.317 9.540 -1.042 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.294 11.219 -2.459 1.00 0.00 O ATOM 0 H ASP A 37 -4.530 10.000 0.240 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.636 9.516 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.391 10.773 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.353 12.085 -1.080 1.00 0.00 H new ATOM 540 N PHE A 38 -3.565 12.041 -2.090 1.00 0.00 N ATOM 541 CA PHE A 38 -2.824 13.037 -2.871 1.00 0.00 C ATOM 542 C PHE A 38 -2.159 12.399 -4.093 1.00 0.00 C ATOM 543 O PHE A 38 -1.995 13.050 -5.126 1.00 0.00 O ATOM 544 CB PHE A 38 -1.763 13.723 -2.003 1.00 0.00 C ATOM 545 CG PHE A 38 -2.312 14.416 -0.780 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.640 14.818 -0.719 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.493 14.666 0.310 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.135 15.453 0.405 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.984 15.299 1.434 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.306 15.694 1.482 1.00 0.00 C ATOM 0 H PHE A 38 -3.242 11.936 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.539 13.783 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.033 12.978 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.230 14.454 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.293 14.633 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.457 14.362 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.170 15.760 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.334 15.485 2.276 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.691 16.191 2.360 1.00 0.00 H new ATOM 560 N VAL A 39 -1.783 11.125 -3.972 1.00 0.00 N ATOM 561 CA VAL A 39 -1.141 10.402 -5.070 1.00 0.00 C ATOM 562 C VAL A 39 -2.181 9.712 -5.959 1.00 0.00 C ATOM 563 O VAL A 39 -1.922 9.444 -7.133 1.00 0.00 O ATOM 564 CB VAL A 39 -0.152 9.341 -4.542 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.640 8.727 -5.690 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.781 9.944 -3.501 1.00 0.00 C ATOM 0 H VAL A 39 -1.912 10.573 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.594 11.140 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.725 8.548 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.332 7.982 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.045 8.252 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.201 9.508 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.469 9.179 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.347 10.760 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.195 10.325 -2.665 1.00 0.00 H new ATOM 576 N GLY A 40 -3.352 9.429 -5.390 1.00 0.00 N ATOM 577 CA GLY A 40 -4.412 8.776 -6.140 1.00 0.00 C ATOM 578 C GLY A 40 -4.753 7.389 -5.611 1.00 0.00 C ATOM 579 O GLY A 40 -5.386 6.598 -6.313 1.00 0.00 O ATOM 0 H GLY A 40 -3.585 9.641 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.306 9.399 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.113 8.696 -7.185 1.00 0.00 H new ATOM 583 N LEU A 41 -4.342 7.093 -4.375 1.00 0.00 N ATOM 584 CA LEU A 41 -4.620 5.796 -3.765 1.00 0.00 C ATOM 585 C LEU A 41 -6.055 5.749 -3.253 1.00 0.00 C ATOM 586 O LEU A 41 -6.461 6.584 -2.444 1.00 0.00 O ATOM 587 CB LEU A 41 -3.648 5.526 -2.612 1.00 0.00 C ATOM 588 CG LEU A 41 -2.534 4.524 -2.918 1.00 0.00 C ATOM 589 CD1 LEU A 41 -1.480 4.547 -1.817 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.107 3.123 -3.081 1.00 0.00 C ATOM 0 H LEU A 41 -3.817 7.734 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.488 5.025 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.193 6.470 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.217 5.162 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.059 4.811 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.694 3.828 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.049 5.546 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.942 4.284 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.300 2.423 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.608 2.825 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.824 3.116 -3.902 1.00 0.00 H new ATOM 602 N ARG A 42 -6.820 4.768 -3.729 1.00 0.00 N ATOM 603 CA ARG A 42 -8.205 4.610 -3.325 1.00 0.00 C ATOM 604 C ARG A 42 -8.465 3.158 -2.909 1.00 0.00 C ATOM 605 O ARG A 42 -7.563 2.474 -2.423 1.00 0.00 O ATOM 606 CB ARG A 42 -9.139 5.030 -4.471 1.00 0.00 C ATOM 607 CG ARG A 42 -8.755 6.346 -5.135 1.00 0.00 C ATOM 608 CD ARG A 42 -9.107 6.351 -6.616 1.00 0.00 C ATOM 609 NE ARG A 42 -10.533 6.119 -6.846 1.00 0.00 N ATOM 610 CZ ARG A 42 -11.476 7.055 -6.703 1.00 0.00 C ATOM 611 NH1 ARG A 42 -11.150 8.288 -6.323 1.00 0.00 N ATOM 612 NH2 ARG A 42 -12.749 6.756 -6.940 1.00 0.00 N ATOM 0 H ARG A 42 -6.496 4.070 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.406 5.253 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.147 4.243 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.155 5.113 -4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.267 7.169 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.685 6.516 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.821 7.308 -7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.528 5.582 -7.128 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.826 5.185 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.175 8.524 -6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.875 8.997 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.006 5.813 -7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.469 7.470 -6.831 1.00 0.00 H new ATOM 626 N ALA A 43 -9.697 2.693 -3.106 1.00 0.00 N ATOM 627 CA ALA A 43 -10.070 1.325 -2.755 1.00 0.00 C ATOM 628 C ALA A 43 -10.257 0.478 -4.007 1.00 0.00 C ATOM 629 O ALA A 43 -11.000 0.855 -4.914 1.00 0.00 O ATOM 630 CB ALA A 43 -11.341 1.320 -1.919 1.00 0.00 C ATOM 0 H ALA A 43 -10.455 3.245 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.262 0.892 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.606 0.293 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.177 1.889 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.152 1.774 -2.488 1.00 0.00 H new ATOM 636 N GLY A 44 -9.579 -0.668 -4.051 1.00 0.00 N ATOM 637 CA GLY A 44 -9.686 -1.552 -5.200 1.00 0.00 C ATOM 638 C GLY A 44 -8.334 -1.920 -5.796 1.00 0.00 C ATOM 639 O GLY A 44 -8.213 -2.942 -6.476 1.00 0.00 O ATOM 0 H GLY A 44 -8.959 -0.999 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.206 -2.463 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.296 -1.072 -5.965 1.00 0.00 H new ATOM 643 N ASP A 45 -7.317 -1.091 -5.546 1.00 0.00 N ATOM 644 CA ASP A 45 -5.977 -1.344 -6.066 1.00 0.00 C ATOM 645 C ASP A 45 -5.308 -2.492 -5.315 1.00 0.00 C ATOM 646 O ASP A 45 -5.145 -2.434 -4.094 1.00 0.00 O ATOM 647 CB ASP A 45 -5.118 -0.080 -5.961 1.00 0.00 C ATOM 648 CG ASP A 45 -5.292 0.848 -7.148 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.000 0.419 -8.287 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.717 2.005 -6.943 1.00 0.00 O ATOM 0 H ASP A 45 -7.399 -0.241 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.070 -1.626 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.376 0.454 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.069 -0.365 -5.879 1.00 0.00 H new ATOM 655 N GLN A 46 -4.922 -3.535 -6.051 1.00 0.00 N ATOM 656 CA GLN A 46 -4.269 -4.696 -5.453 1.00 0.00 C ATOM 657 C GLN A 46 -2.779 -4.433 -5.264 1.00 0.00 C ATOM 658 O GLN A 46 -2.089 -4.038 -6.205 1.00 0.00 O ATOM 659 CB GLN A 46 -4.470 -5.937 -6.328 1.00 0.00 C ATOM 660 CG GLN A 46 -5.642 -6.807 -5.898 1.00 0.00 C ATOM 661 CD GLN A 46 -6.405 -7.379 -7.079 1.00 0.00 C ATOM 662 OE1 GLN A 46 -5.813 -7.944 -8.000 1.00 0.00 O ATOM 663 NE2 GLN A 46 -7.726 -7.232 -7.062 1.00 0.00 N ATOM 0 H GLN A 46 -5.051 -3.598 -7.061 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.723 -4.875 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.623 -5.622 -7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.559 -6.535 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.275 -7.624 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.321 -6.218 -5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.176 -6.757 -6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.289 -7.594 -7.832 1.00 0.00 H new ATOM 672 N ILE A 47 -2.289 -4.656 -4.049 1.00 0.00 N ATOM 673 CA ILE A 47 -0.878 -4.441 -3.746 1.00 0.00 C ATOM 674 C ILE A 47 -0.049 -5.674 -4.104 1.00 0.00 C ATOM 675 O ILE A 47 -0.339 -6.782 -3.651 1.00 0.00 O ATOM 676 CB ILE A 47 -0.658 -4.096 -2.256 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.592 -2.960 -1.820 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.793 -3.713 -2.008 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.098 -3.105 -0.402 1.00 0.00 C ATOM 0 H ILE A 47 -2.846 -4.985 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.551 -3.595 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.891 -4.980 -1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.065 -2.011 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.444 -2.920 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.931 -3.473 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.441 -4.547 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.049 -2.844 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.752 -2.267 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.654 -4.038 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.253 -3.115 0.287 1.00 0.00 H new ATOM 691 N LEU A 48 0.979 -5.470 -4.924 1.00 0.00 N ATOM 692 CA LEU A 48 1.852 -6.561 -5.349 1.00 0.00 C ATOM 693 C LEU A 48 3.179 -6.527 -4.589 1.00 0.00 C ATOM 694 O LEU A 48 3.710 -7.572 -4.214 1.00 0.00 O ATOM 695 CB LEU A 48 2.106 -6.487 -6.859 1.00 0.00 C ATOM 696 CG LEU A 48 0.913 -6.868 -7.745 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.424 -8.271 -7.417 1.00 0.00 C ATOM 698 CD2 LEU A 48 -0.219 -5.859 -7.592 1.00 0.00 C ATOM 0 H LEU A 48 1.228 -4.558 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 48 1.351 -7.502 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.414 -5.472 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.942 -7.143 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 48 1.246 -6.854 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.422 -8.520 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.229 -8.986 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.114 -8.313 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.054 -6.150 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.547 -5.835 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.133 -4.870 -7.884 1.00 0.00 H new ATOM 710 N ALA A 49 3.706 -5.321 -4.368 1.00 0.00 N ATOM 711 CA ALA A 49 4.969 -5.148 -3.652 1.00 0.00 C ATOM 712 C ALA A 49 4.823 -4.149 -2.506 1.00 0.00 C ATOM 713 O ALA A 49 4.074 -3.175 -2.611 1.00 0.00 O ATOM 714 CB ALA A 49 6.064 -4.698 -4.608 1.00 0.00 C ATOM 0 H ALA A 49 3.276 -4.449 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 49 5.247 -6.112 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.998 -4.574 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.198 -5.449 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.782 -3.749 -5.064 1.00 0.00 H new ATOM 720 N VAL A 50 5.553 -4.391 -1.418 1.00 0.00 N ATOM 721 CA VAL A 50 5.526 -3.511 -0.251 1.00 0.00 C ATOM 722 C VAL A 50 6.945 -3.218 0.210 1.00 0.00 C ATOM 723 O VAL A 50 7.651 -4.113 0.675 1.00 0.00 O ATOM 724 CB VAL A 50 4.721 -4.115 0.922 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.629 -3.126 2.079 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.332 -4.535 0.456 1.00 0.00 C ATOM 0 H VAL A 50 6.174 -5.194 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 50 5.030 -2.589 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 50 5.245 -5.002 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.058 -3.571 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.632 -2.882 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.131 -2.217 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.779 -4.958 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.799 -3.665 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.423 -5.282 -0.332 1.00 0.00 H new ATOM 736 N ASN A 51 7.360 -1.966 0.044 1.00 0.00 N ATOM 737 CA ASN A 51 8.705 -1.535 0.405 1.00 0.00 C ATOM 738 C ASN A 51 9.700 -2.014 -0.653 1.00 0.00 C ATOM 739 O ASN A 51 10.855 -2.306 -0.352 1.00 0.00 O ATOM 740 CB ASN A 51 9.095 -2.046 1.800 1.00 0.00 C ATOM 741 CG ASN A 51 9.724 -0.958 2.648 1.00 0.00 C ATOM 742 OD1 ASN A 51 9.195 -0.589 3.695 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.859 -0.436 2.198 1.00 0.00 N ATOM 0 H ASN A 51 6.776 -1.225 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 51 8.726 -0.446 0.441 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.210 -2.433 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.793 -2.877 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.326 0.301 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.264 -0.772 1.324 1.00 0.00 H new ATOM 750 N GLU A 52 9.214 -2.082 -1.903 1.00 0.00 N ATOM 751 CA GLU A 52 10.005 -2.508 -3.060 1.00 0.00 C ATOM 752 C GLU A 52 10.103 -4.037 -3.182 1.00 0.00 C ATOM 753 O GLU A 52 10.699 -4.546 -4.134 1.00 0.00 O ATOM 754 CB GLU A 52 11.403 -1.858 -3.047 1.00 0.00 C ATOM 755 CG GLU A 52 12.536 -2.753 -2.547 1.00 0.00 C ATOM 756 CD GLU A 52 13.852 -2.456 -3.237 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.586 -1.566 -2.760 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.147 -3.109 -4.262 1.00 0.00 O ATOM 0 H GLU A 52 8.251 -1.840 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 52 9.474 -2.160 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.642 -1.529 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.365 -0.966 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.654 -2.619 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.270 -3.797 -2.711 1.00 0.00 H new ATOM 765 N ILE A 53 9.515 -4.770 -2.232 1.00 0.00 N ATOM 766 CA ILE A 53 9.550 -6.231 -2.268 1.00 0.00 C ATOM 767 C ILE A 53 8.157 -6.817 -2.487 1.00 0.00 C ATOM 768 O ILE A 53 7.220 -6.514 -1.745 1.00 0.00 O ATOM 769 CB ILE A 53 10.160 -6.822 -0.976 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.501 -6.217 0.267 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.663 -6.583 -0.951 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.941 -6.865 1.563 1.00 0.00 C ATOM 0 H ILE A 53 9.013 -4.378 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 53 10.186 -6.505 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 53 9.973 -7.896 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.730 -5.152 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.419 -6.307 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.083 -7.003 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.122 -7.063 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.862 -5.512 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.434 -6.385 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.688 -7.925 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.019 -6.752 1.679 1.00 0.00 H new ATOM 784 N ASN A 54 8.028 -7.658 -3.513 1.00 0.00 N ATOM 785 CA ASN A 54 6.756 -8.293 -3.844 1.00 0.00 C ATOM 786 C ASN A 54 6.254 -9.147 -2.683 1.00 0.00 C ATOM 787 O ASN A 54 6.962 -10.027 -2.194 1.00 0.00 O ATOM 788 CB ASN A 54 6.897 -9.153 -5.102 1.00 0.00 C ATOM 789 CG ASN A 54 6.118 -8.593 -6.278 1.00 0.00 C ATOM 790 OD1 ASN A 54 6.480 -7.559 -6.839 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.042 -9.274 -6.659 1.00 0.00 N ATOM 0 H ASN A 54 8.796 -7.916 -4.132 1.00 0.00 H new ATOM 0 HA ASN A 54 6.027 -7.505 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.951 -9.228 -5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.550 -10.164 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.481 -8.944 -7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.777 -10.127 -6.166 1.00 0.00 H new ATOM 798 N VAL A 55 5.025 -8.879 -2.252 1.00 0.00 N ATOM 799 CA VAL A 55 4.416 -9.615 -1.147 1.00 0.00 C ATOM 800 C VAL A 55 2.901 -9.751 -1.341 1.00 0.00 C ATOM 801 O VAL A 55 2.128 -9.621 -0.389 1.00 0.00 O ATOM 802 CB VAL A 55 4.703 -8.935 0.211 1.00 0.00 C ATOM 803 CG1 VAL A 55 6.129 -9.218 0.666 1.00 0.00 C ATOM 804 CG2 VAL A 55 4.448 -7.436 0.132 1.00 0.00 C ATOM 0 H VAL A 55 4.429 -8.155 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 55 4.864 -10.609 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 55 4.021 -9.355 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.309 -8.730 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.270 -10.293 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.830 -8.834 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.657 -6.980 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.098 -6.996 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.407 -7.258 -0.136 1.00 0.00 H new ATOM 814 N LYS A 56 2.487 -10.013 -2.583 1.00 0.00 N ATOM 815 CA LYS A 56 1.067 -10.164 -2.907 1.00 0.00 C ATOM 816 C LYS A 56 0.433 -11.336 -2.152 1.00 0.00 C ATOM 817 O LYS A 56 -0.759 -11.303 -1.846 1.00 0.00 O ATOM 818 CB LYS A 56 0.864 -10.339 -4.415 1.00 0.00 C ATOM 819 CG LYS A 56 1.811 -11.340 -5.060 1.00 0.00 C ATOM 820 CD LYS A 56 1.067 -12.305 -5.968 1.00 0.00 C ATOM 821 CE LYS A 56 0.996 -11.793 -7.400 1.00 0.00 C ATOM 822 NZ LYS A 56 -0.381 -11.359 -7.773 1.00 0.00 N ATOM 0 H LYS A 56 3.114 -10.125 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 56 0.568 -9.249 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.162 -10.657 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.989 -9.372 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.568 -10.807 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.335 -11.899 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.564 -13.275 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.058 -12.458 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.684 -10.956 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.326 -12.577 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.361 -10.909 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.011 -12.186 -7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.733 -10.678 -7.070 1.00 0.00 H new ATOM 836 N LYS A 57 1.229 -12.364 -1.852 1.00 0.00 N ATOM 837 CA LYS A 57 0.729 -13.532 -1.126 1.00 0.00 C ATOM 838 C LYS A 57 1.480 -13.730 0.197 1.00 0.00 C ATOM 839 O LYS A 57 1.626 -14.858 0.675 1.00 0.00 O ATOM 840 CB LYS A 57 0.850 -14.795 -1.991 1.00 0.00 C ATOM 841 CG LYS A 57 0.412 -14.604 -3.434 1.00 0.00 C ATOM 842 CD LYS A 57 -0.243 -15.860 -3.990 1.00 0.00 C ATOM 843 CE LYS A 57 -0.009 -16.007 -5.489 1.00 0.00 C ATOM 844 NZ LYS A 57 1.258 -16.732 -5.794 1.00 0.00 N ATOM 0 H LYS A 57 2.217 -12.411 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.322 -13.355 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.886 -15.133 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.251 -15.588 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.287 -13.770 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.275 -14.342 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.152 -16.735 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.314 -15.829 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.848 -16.542 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.020 -15.019 -5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.375 -16.808 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.062 -16.210 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.221 -17.685 -5.379 1.00 0.00 H new ATOM 858 N ALA A 58 1.958 -12.629 0.785 1.00 0.00 N ATOM 859 CA ALA A 58 2.692 -12.683 2.042 1.00 0.00 C ATOM 860 C ALA A 58 1.753 -12.601 3.245 1.00 0.00 C ATOM 861 O ALA A 58 0.528 -12.604 3.092 1.00 0.00 O ATOM 862 CB ALA A 58 3.719 -11.562 2.097 1.00 0.00 C ATOM 0 H ALA A 58 1.846 -11.689 0.405 1.00 0.00 H new ATOM 0 HA ALA A 58 3.206 -13.643 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.262 -11.612 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.420 -11.670 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.212 -10.600 2.020 1.00 0.00 H new ATOM 868 N SER A 59 2.335 -12.520 4.443 1.00 0.00 N ATOM 869 CA SER A 59 1.558 -12.429 5.676 1.00 0.00 C ATOM 870 C SER A 59 1.308 -10.979 6.048 1.00 0.00 C ATOM 871 O SER A 59 2.175 -10.119 5.895 1.00 0.00 O ATOM 872 CB SER A 59 2.272 -13.151 6.826 1.00 0.00 C ATOM 873 OG SER A 59 3.655 -13.311 6.560 1.00 0.00 O ATOM 0 H SER A 59 3.345 -12.516 4.583 1.00 0.00 H new ATOM 0 HA SER A 59 0.598 -12.916 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.141 -12.586 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.815 -14.128 6.983 1.00 0.00 H new ATOM 0 HG SER A 59 4.173 -13.035 7.345 1.00 0.00 H new ATOM 879 N HIS A 60 0.102 -10.732 6.531 1.00 0.00 N ATOM 880 CA HIS A 60 -0.324 -9.399 6.932 1.00 0.00 C ATOM 881 C HIS A 60 0.658 -8.762 7.916 1.00 0.00 C ATOM 882 O HIS A 60 1.016 -7.594 7.769 1.00 0.00 O ATOM 883 CB HIS A 60 -1.715 -9.494 7.551 1.00 0.00 C ATOM 884 CG HIS A 60 -2.565 -8.280 7.329 1.00 0.00 C ATOM 885 ND1 HIS A 60 -2.228 -6.973 7.204 1.00 0.00 N flip ATOM 886 CD2 HIS A 60 -3.938 -8.331 7.227 1.00 0.00 C flip ATOM 887 CE1 HIS A 60 -3.394 -6.267 7.032 1.00 0.00 C flip ATOM 888 NE2 HIS A 60 -4.409 -7.107 7.050 1.00 0.00 N flip ATOM 0 H HIS A 60 -0.611 -11.450 6.657 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.350 -8.759 6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.227 -10.364 7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.614 -9.663 8.623 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.285 -6.586 7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.536 -9.229 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.467 -5.197 6.903 1.00 0.00 H new ATOM 897 N GLU A 61 1.097 -9.537 8.902 1.00 0.00 N ATOM 898 CA GLU A 61 2.046 -9.040 9.897 1.00 0.00 C ATOM 899 C GLU A 61 3.390 -8.723 9.248 1.00 0.00 C ATOM 900 O GLU A 61 4.026 -7.720 9.577 1.00 0.00 O ATOM 901 CB GLU A 61 2.232 -10.057 11.024 1.00 0.00 C ATOM 902 CG GLU A 61 0.985 -10.248 11.874 1.00 0.00 C ATOM 903 CD GLU A 61 1.288 -10.819 13.248 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.891 -11.910 13.318 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.920 -10.175 14.252 1.00 0.00 O ATOM 0 H GLU A 61 0.814 -10.508 9.035 1.00 0.00 H new ATOM 0 HA GLU A 61 1.639 -8.122 10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.521 -11.016 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.053 -9.734 11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.479 -9.289 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.295 -10.913 11.354 1.00 0.00 H new ATOM 912 N ASP A 62 3.809 -9.574 8.313 1.00 0.00 N ATOM 913 CA ASP A 62 5.070 -9.375 7.605 1.00 0.00 C ATOM 914 C ASP A 62 5.015 -8.109 6.758 1.00 0.00 C ATOM 915 O ASP A 62 5.972 -7.335 6.720 1.00 0.00 O ATOM 916 CB ASP A 62 5.386 -10.581 6.717 1.00 0.00 C ATOM 917 CG ASP A 62 6.262 -11.599 7.417 1.00 0.00 C ATOM 918 OD1 ASP A 62 5.768 -12.263 8.354 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.441 -11.738 7.028 1.00 0.00 O ATOM 0 H ASP A 62 3.293 -10.407 8.029 1.00 0.00 H new ATOM 0 HA ASP A 62 5.861 -9.268 8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.455 -11.057 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.884 -10.240 5.809 1.00 0.00 H new ATOM 924 N VAL A 63 3.886 -7.904 6.082 1.00 0.00 N ATOM 925 CA VAL A 63 3.706 -6.730 5.236 1.00 0.00 C ATOM 926 C VAL A 63 3.712 -5.447 6.066 1.00 0.00 C ATOM 927 O VAL A 63 4.337 -4.456 5.686 1.00 0.00 O ATOM 928 CB VAL A 63 2.399 -6.812 4.418 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.281 -5.624 3.475 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.329 -8.122 3.643 1.00 0.00 C ATOM 0 H VAL A 63 3.085 -8.535 6.105 1.00 0.00 H new ATOM 0 HA VAL A 63 4.546 -6.708 4.542 1.00 0.00 H new ATOM 0 HB VAL A 63 1.560 -6.782 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.353 -5.700 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.278 -4.700 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.127 -5.619 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.400 -8.159 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.176 -8.186 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.361 -8.959 4.340 1.00 0.00 H new ATOM 940 N VAL A 64 3.033 -5.480 7.214 1.00 0.00 N ATOM 941 CA VAL A 64 2.989 -4.328 8.104 1.00 0.00 C ATOM 942 C VAL A 64 4.374 -4.055 8.665 1.00 0.00 C ATOM 943 O VAL A 64 4.786 -2.903 8.800 1.00 0.00 O ATOM 944 CB VAL A 64 1.998 -4.529 9.272 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.899 -3.264 10.116 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.627 -4.940 8.754 1.00 0.00 C ATOM 0 H VAL A 64 2.509 -6.290 7.545 1.00 0.00 H new ATOM 0 HA VAL A 64 2.645 -3.478 7.515 1.00 0.00 H new ATOM 0 HB VAL A 64 2.376 -5.333 9.904 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.196 -3.426 10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.880 -3.021 10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.550 -2.439 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.054 -5.076 9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.239 -4.163 8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.712 -5.876 8.201 1.00 0.00 H new ATOM 956 N LYS A 65 5.090 -5.133 8.984 1.00 0.00 N ATOM 957 CA LYS A 65 6.431 -5.023 9.535 1.00 0.00 C ATOM 958 C LYS A 65 7.350 -4.246 8.594 1.00 0.00 C ATOM 959 O LYS A 65 8.151 -3.422 9.038 1.00 0.00 O ATOM 960 CB LYS A 65 7.014 -6.415 9.813 1.00 0.00 C ATOM 961 CG LYS A 65 7.778 -6.511 11.123 1.00 0.00 C ATOM 962 CD LYS A 65 8.069 -7.958 11.497 1.00 0.00 C ATOM 963 CE LYS A 65 7.044 -8.500 12.488 1.00 0.00 C ATOM 964 NZ LYS A 65 7.685 -9.273 13.587 1.00 0.00 N ATOM 0 H LYS A 65 4.759 -6.091 8.868 1.00 0.00 H new ATOM 0 HA LYS A 65 6.363 -4.475 10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.203 -7.143 9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.679 -6.690 8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.715 -5.961 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.200 -6.038 11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.067 -8.574 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.067 -8.029 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.476 -7.672 12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.334 -9.138 11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.953 -9.623 14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.206 -10.079 13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.344 -8.658 14.106 1.00 0.00 H new ATOM 978 N LEU A 66 7.220 -4.507 7.293 1.00 0.00 N ATOM 979 CA LEU A 66 8.033 -3.822 6.293 1.00 0.00 C ATOM 980 C LEU A 66 7.679 -2.342 6.231 1.00 0.00 C ATOM 981 O LEU A 66 8.561 -1.485 6.155 1.00 0.00 O ATOM 982 CB LEU A 66 7.840 -4.456 4.914 1.00 0.00 C ATOM 983 CG LEU A 66 8.158 -5.950 4.832 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.479 -6.570 3.622 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.665 -6.170 4.785 1.00 0.00 C ATOM 0 H LEU A 66 6.562 -5.185 6.910 1.00 0.00 H new ATOM 0 HA LEU A 66 9.078 -3.922 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.806 -4.304 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.469 -3.927 4.198 1.00 0.00 H new ATOM 0 HG LEU A 66 7.772 -6.440 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.715 -7.633 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.400 -6.441 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.835 -6.081 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.875 -7.238 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.078 -5.671 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.121 -5.759 5.686 1.00 0.00 H new ATOM 997 N ILE A 67 6.382 -2.048 6.271 1.00 0.00 N ATOM 998 CA ILE A 67 5.906 -0.669 6.225 1.00 0.00 C ATOM 999 C ILE A 67 6.313 0.092 7.485 1.00 0.00 C ATOM 1000 O ILE A 67 6.717 1.256 7.413 1.00 0.00 O ATOM 1001 CB ILE A 67 4.371 -0.610 6.064 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.928 -1.436 4.852 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.907 0.833 5.927 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.482 -1.878 4.912 1.00 0.00 C ATOM 0 H ILE A 67 5.642 -2.747 6.335 1.00 0.00 H new ATOM 0 HA ILE A 67 6.369 -0.198 5.358 1.00 0.00 H new ATOM 0 HB ILE A 67 3.912 -1.036 6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.082 -0.848 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.565 -2.317 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.823 0.858 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.192 1.393 6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.373 1.283 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.241 -2.457 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.326 -2.494 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.835 -1.002 4.961 1.00 0.00 H new ATOM 1016 N GLY A 68 6.217 -0.577 8.634 1.00 0.00 N ATOM 1017 CA GLY A 68 6.589 0.043 9.895 1.00 0.00 C ATOM 1018 C GLY A 68 8.088 0.262 10.034 1.00 0.00 C ATOM 1019 O GLY A 68 8.530 1.038 10.882 1.00 0.00 O ATOM 0 H GLY A 68 5.887 -1.539 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.078 1.001 9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.242 -0.583 10.717 1.00 0.00 H new ATOM 1023 N LYS A 69 8.875 -0.430 9.201 1.00 0.00 N ATOM 1024 CA LYS A 69 10.331 -0.312 9.235 1.00 0.00 C ATOM 1025 C LYS A 69 10.799 1.079 8.801 1.00 0.00 C ATOM 1026 O LYS A 69 11.706 1.651 9.408 1.00 0.00 O ATOM 1027 CB LYS A 69 10.969 -1.381 8.340 1.00 0.00 C ATOM 1028 CG LYS A 69 12.434 -1.645 8.652 1.00 0.00 C ATOM 1029 CD LYS A 69 12.588 -2.536 9.875 1.00 0.00 C ATOM 1030 CE LYS A 69 14.045 -2.649 10.299 1.00 0.00 C ATOM 1031 NZ LYS A 69 14.526 -1.410 10.975 1.00 0.00 N ATOM 0 H LYS A 69 8.524 -1.077 8.496 1.00 0.00 H new ATOM 0 HA LYS A 69 10.649 -0.464 10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.411 -2.311 8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.878 -1.072 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.911 -2.117 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.948 -0.699 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.998 -2.132 10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.193 -3.528 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.162 -3.498 10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.663 -2.848 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.488 -1.564 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.534 -0.624 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.891 -1.177 11.765 1.00 0.00 H new ATOM 1045 N CYS A 70 10.178 1.615 7.752 1.00 0.00 N ATOM 1046 CA CYS A 70 10.534 2.939 7.242 1.00 0.00 C ATOM 1047 C CYS A 70 10.157 4.026 8.246 1.00 0.00 C ATOM 1048 O CYS A 70 11.011 4.798 8.686 1.00 0.00 O ATOM 1049 CB CYS A 70 9.850 3.201 5.896 1.00 0.00 C ATOM 1050 SG CYS A 70 10.873 4.104 4.709 1.00 0.00 S ATOM 0 H CYS A 70 9.427 1.154 7.239 1.00 0.00 H new ATOM 0 HA CYS A 70 11.614 2.965 7.095 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.560 2.247 5.457 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.933 3.764 6.070 1.00 0.00 H new ATOM 0 HG CYS A 70 10.299 4.091 3.543 1.00 0.00 H new ATOM 1056 N SER A 71 8.872 4.075 8.594 1.00 0.00 N ATOM 1057 CA SER A 71 8.350 5.059 9.549 1.00 0.00 C ATOM 1058 C SER A 71 8.528 6.492 9.032 1.00 0.00 C ATOM 1059 O SER A 71 8.638 7.440 9.814 1.00 0.00 O ATOM 1060 CB SER A 71 9.030 4.889 10.919 1.00 0.00 C ATOM 1061 OG SER A 71 10.243 5.625 11.002 1.00 0.00 O ATOM 0 H SER A 71 8.165 3.439 8.226 1.00 0.00 H new ATOM 0 HA SER A 71 7.281 4.880 9.663 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.351 5.218 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.233 3.833 11.095 1.00 0.00 H new ATOM 0 HG SER A 71 10.798 5.430 10.218 1.00 0.00 H new ATOM 1067 N GLY A 72 8.544 6.638 7.710 1.00 0.00 N ATOM 1068 CA GLY A 72 8.707 7.948 7.099 1.00 0.00 C ATOM 1069 C GLY A 72 8.066 8.037 5.726 1.00 0.00 C ATOM 1070 O GLY A 72 7.455 9.053 5.384 1.00 0.00 O ATOM 0 H GLY A 72 8.447 5.869 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.269 8.705 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.770 8.176 7.015 1.00 0.00 H new ATOM 1074 N VAL A 73 8.209 6.972 4.934 1.00 0.00 N ATOM 1075 CA VAL A 73 7.642 6.938 3.592 1.00 0.00 C ATOM 1076 C VAL A 73 7.285 5.511 3.175 1.00 0.00 C ATOM 1077 O VAL A 73 8.034 4.566 3.433 1.00 0.00 O ATOM 1078 CB VAL A 73 8.602 7.568 2.557 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.970 6.899 2.585 1.00 0.00 C ATOM 1080 CG2 VAL A 73 8.003 7.516 1.158 1.00 0.00 C ATOM 0 H VAL A 73 8.712 6.126 5.201 1.00 0.00 H new ATOM 0 HA VAL A 73 6.727 7.530 3.617 1.00 0.00 H new ATOM 0 HB VAL A 73 8.740 8.614 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.619 7.367 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.410 7.011 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.862 5.839 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.697 7.965 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.820 6.478 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.063 8.067 1.144 1.00 0.00 H new ATOM 1090 N LEU A 74 6.129 5.367 2.528 1.00 0.00 N ATOM 1091 CA LEU A 74 5.653 4.067 2.070 1.00 0.00 C ATOM 1092 C LEU A 74 5.871 3.904 0.566 1.00 0.00 C ATOM 1093 O LEU A 74 5.629 4.831 -0.209 1.00 0.00 O ATOM 1094 CB LEU A 74 4.163 3.906 2.393 1.00 0.00 C ATOM 1095 CG LEU A 74 3.776 2.596 3.084 1.00 0.00 C ATOM 1096 CD1 LEU A 74 2.281 2.562 3.365 1.00 0.00 C ATOM 1097 CD2 LEU A 74 4.184 1.397 2.239 1.00 0.00 C ATOM 0 H LEU A 74 5.503 6.142 2.309 1.00 0.00 H new ATOM 0 HA LEU A 74 6.223 3.297 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.855 4.736 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.597 3.988 1.465 1.00 0.00 H new ATOM 0 HG LEU A 74 4.309 2.543 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.024 1.623 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.014 3.396 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.732 2.642 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.899 0.478 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.682 1.445 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.263 1.408 2.088 1.00 0.00 H new ATOM 1109 N HIS A 75 6.318 2.714 0.169 1.00 0.00 N ATOM 1110 CA HIS A 75 6.560 2.409 -1.238 1.00 0.00 C ATOM 1111 C HIS A 75 5.896 1.085 -1.613 1.00 0.00 C ATOM 1112 O HIS A 75 6.470 0.015 -1.410 1.00 0.00 O ATOM 1113 CB HIS A 75 8.068 2.343 -1.513 1.00 0.00 C ATOM 1114 CG HIS A 75 8.494 3.106 -2.727 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.050 4.366 -2.668 1.00 0.00 N ATOM 1116 CD2 HIS A 75 8.449 2.779 -4.041 1.00 0.00 C ATOM 1117 CE1 HIS A 75 9.330 4.779 -3.891 1.00 0.00 C ATOM 1118 NE2 HIS A 75 8.977 3.834 -4.744 1.00 0.00 N ATOM 0 H HIS A 75 6.520 1.943 0.806 1.00 0.00 H new ATOM 0 HA HIS A 75 6.127 3.202 -1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.603 2.730 -0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.361 1.300 -1.629 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.068 1.859 -4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.773 5.729 -4.150 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.080 3.880 -5.758 1.00 0.00 H new ATOM 1127 N MET A 76 4.679 1.162 -2.155 1.00 0.00 N ATOM 1128 CA MET A 76 3.937 -0.035 -2.545 1.00 0.00 C ATOM 1129 C MET A 76 3.674 -0.066 -4.048 1.00 0.00 C ATOM 1130 O MET A 76 3.368 0.962 -4.656 1.00 0.00 O ATOM 1131 CB MET A 76 2.607 -0.110 -1.791 1.00 0.00 C ATOM 1132 CG MET A 76 2.719 -0.735 -0.408 1.00 0.00 C ATOM 1133 SD MET A 76 1.433 -0.155 0.715 1.00 0.00 S ATOM 1134 CE MET A 76 1.088 -1.650 1.636 1.00 0.00 C ATOM 0 H MET A 76 4.189 2.039 -2.333 1.00 0.00 H new ATOM 0 HA MET A 76 4.551 -0.898 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.199 0.896 -1.693 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.896 -0.686 -2.383 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.658 -1.820 -0.497 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.697 -0.504 0.014 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.815 -1.392 2.659 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.264 -2.186 1.165 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.975 -2.284 1.646 1.00 0.00 H new ATOM 1144 N VAL A 77 3.780 -1.256 -4.630 1.00 0.00 N ATOM 1145 CA VAL A 77 3.544 -1.442 -6.057 1.00 0.00 C ATOM 1146 C VAL A 77 2.189 -2.112 -6.286 1.00 0.00 C ATOM 1147 O VAL A 77 2.072 -3.337 -6.232 1.00 0.00 O ATOM 1148 CB VAL A 77 4.656 -2.289 -6.711 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.494 -2.314 -8.223 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.032 -1.760 -6.326 1.00 0.00 C ATOM 0 H VAL A 77 4.029 -2.110 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 77 3.548 -0.456 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 77 4.568 -3.311 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.288 -2.916 -8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.526 -2.746 -8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.551 -1.297 -8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.802 -2.371 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.132 -0.728 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.148 -1.802 -5.243 1.00 0.00 H new ATOM 1160 N ILE A 78 1.168 -1.293 -6.534 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.185 -1.789 -6.765 1.00 0.00 C ATOM 1162 C ILE A 78 -0.504 -1.849 -8.255 1.00 0.00 C ATOM 1163 O ILE A 78 0.143 -1.188 -9.067 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.242 -0.913 -6.052 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -0.999 0.575 -6.340 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.228 -1.176 -4.551 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.085 1.484 -5.807 1.00 0.00 C ATOM 0 H ILE A 78 1.255 -0.278 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.225 -2.796 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.225 -1.179 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.045 0.869 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.914 0.718 -7.417 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.978 -0.551 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.453 -2.226 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.243 -0.939 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.844 2.519 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.039 1.218 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.156 1.371 -4.725 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.507 -2.646 -8.607 1.00 0.00 N ATOM 1180 CA ALA A 79 -1.920 -2.801 -10.000 1.00 0.00 C ATOM 1181 C ALA A 79 -3.386 -2.423 -10.194 1.00 0.00 C ATOM 1182 O ALA A 79 -4.213 -2.614 -9.299 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.675 -4.228 -10.467 1.00 0.00 C ATOM 0 H ALA A 79 -2.052 -3.198 -7.945 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.319 -2.121 -10.604 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.987 -4.329 -11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.614 -4.461 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.248 -4.917 -9.847 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.698 -1.890 -11.375 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.060 -1.481 -11.706 1.00 0.00 C ATOM 1191 C GLU A 80 -5.779 -2.573 -12.498 1.00 0.00 C ATOM 1192 O GLU A 80 -5.435 -2.842 -13.651 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.040 -0.181 -12.517 1.00 0.00 C ATOM 1194 CG GLU A 80 -5.988 0.885 -11.987 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.354 2.265 -11.929 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -4.486 2.564 -12.778 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -5.732 3.051 -11.033 1.00 0.00 O ATOM 0 H GLU A 80 -3.021 -1.731 -12.121 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.600 -1.315 -10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.026 0.218 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.300 -0.404 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.874 0.924 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.323 0.602 -10.989 1.00 0.00 H new