USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0.19 USER MOD Set 1.2: A 100 THR OG1 : rot -62:sc= 0.209 USER MOD Set 2.1: A 39 SER OG : rot 70:sc= -1.36 USER MOD Set 2.2: A 87 LYS NZ :NH3+ -163:sc= 0.0618 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.351 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 111:sc= -4.03! USER MOD Single : A 44 TYR OH : rot 180:sc= -0.914 USER MOD Single : A 45 SER OG : rot 140:sc= 0.137 USER MOD Single : A 48 MET CE :methyl -134:sc= -0.463 (180deg=-2.84!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.0367 USER MOD Single : A 61 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.065) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -80:sc= 0.576 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -55:sc= 0.161 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -9:sc= 0.813! USER MOD Single : A 86 ASN : amide:sc= -1.79 K(o=-1.8,f=-13!) USER MOD Single : A 88 MET CE :methyl 133:sc= -4.56! (180deg=-10.2!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.0826 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -164:sc= 0.597 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.559 16.610 4.696 1.00 0.00 N ATOM 67 CA PRO A 8 9.810 15.456 4.189 1.00 0.00 C ATOM 68 C PRO A 8 8.863 15.833 3.054 1.00 0.00 C ATOM 69 O PRO A 8 8.479 16.992 2.893 1.00 0.00 O ATOM 70 CB PRO A 8 9.018 14.982 5.410 1.00 0.00 C ATOM 71 CG PRO A 8 8.879 16.194 6.265 1.00 0.00 C ATOM 72 CD PRO A 8 10.131 16.998 6.051 1.00 0.00 C ATOM 0 HA PRO A 8 10.469 14.695 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.044 14.587 5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.542 14.184 5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.995 16.768 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.765 15.921 7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.938 18.068 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.892 16.763 6.795 1.00 0.00 H new ATOM 80 N PRO A 9 8.478 14.833 2.247 1.00 0.00 N ATOM 81 CA PRO A 9 7.571 15.036 1.113 1.00 0.00 C ATOM 82 C PRO A 9 6.148 15.356 1.559 1.00 0.00 C ATOM 83 O PRO A 9 5.686 14.869 2.590 1.00 0.00 O ATOM 84 CB PRO A 9 7.613 13.692 0.381 1.00 0.00 C ATOM 85 CG PRO A 9 7.986 12.702 1.429 1.00 0.00 C ATOM 86 CD PRO A 9 8.897 13.428 2.380 1.00 0.00 C ATOM 0 HA PRO A 9 7.872 15.883 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.647 13.453 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.342 13.705 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.102 12.328 1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.488 11.840 0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.780 13.069 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.945 13.294 2.113 1.00 0.00 H new ATOM 94 N GLY A 10 5.458 16.178 0.775 1.00 0.00 N ATOM 95 CA GLY A 10 4.094 16.549 1.106 1.00 0.00 C ATOM 96 C GLY A 10 3.146 15.367 1.062 1.00 0.00 C ATOM 97 O GLY A 10 3.560 14.216 0.920 1.00 0.00 O ATOM 0 H GLY A 10 5.819 16.594 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.072 16.992 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.749 17.314 0.410 1.00 0.00 H new ATOM 101 N PRO A 11 1.840 15.647 1.187 1.00 0.00 N ATOM 102 CA PRO A 11 0.803 14.611 1.165 1.00 0.00 C ATOM 103 C PRO A 11 0.637 13.986 -0.216 1.00 0.00 C ATOM 104 O PRO A 11 0.184 14.643 -1.155 1.00 0.00 O ATOM 105 CB PRO A 11 -0.465 15.370 1.564 1.00 0.00 C ATOM 106 CG PRO A 11 -0.201 16.782 1.170 1.00 0.00 C ATOM 107 CD PRO A 11 1.275 16.996 1.359 1.00 0.00 C ATOM 0 HA PRO A 11 1.044 13.779 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.342 14.973 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.656 15.287 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.491 16.959 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.777 17.473 1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.677 17.696 0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.499 17.403 2.345 1.00 0.00 H new ATOM 115 N CYS A 12 1.005 12.715 -0.333 1.00 0.00 N ATOM 116 CA CYS A 12 0.897 12.002 -1.601 1.00 0.00 C ATOM 117 C CYS A 12 -0.556 11.655 -1.908 1.00 0.00 C ATOM 118 O CYS A 12 -1.441 11.849 -1.074 1.00 0.00 O ATOM 119 CB CYS A 12 1.742 10.727 -1.566 1.00 0.00 C ATOM 120 SG CYS A 12 3.440 10.982 -1.002 1.00 0.00 S ATOM 0 H CYS A 12 1.380 12.157 0.434 1.00 0.00 H new ATOM 0 HA CYS A 12 1.270 12.655 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.258 10.001 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.764 10.291 -2.565 1.00 0.00 H new ATOM 0 HG CYS A 12 4.073 9.847 -1.005 1.00 0.00 H new ATOM 126 N LEU A 13 -0.796 11.143 -3.110 1.00 0.00 N ATOM 127 CA LEU A 13 -2.143 10.771 -3.529 1.00 0.00 C ATOM 128 C LEU A 13 -2.439 9.316 -3.178 1.00 0.00 C ATOM 129 O LEU A 13 -1.536 8.510 -2.952 1.00 0.00 O ATOM 130 CB LEU A 13 -2.309 10.989 -5.034 1.00 0.00 C ATOM 131 CG LEU A 13 -2.753 12.387 -5.464 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.598 12.557 -6.967 1.00 0.00 C ATOM 133 CD2 LEU A 13 -4.193 12.642 -5.043 1.00 0.00 C ATOM 0 H LEU A 13 -0.075 10.976 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.851 11.406 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.359 10.765 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.036 10.268 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.115 13.119 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.919 13.558 -7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.553 12.417 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.211 11.817 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.492 13.642 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.845 11.904 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.275 12.563 -3.959 1.00 0.00 H new ATOM 145 N PRO A 14 -3.734 8.970 -3.134 1.00 0.00 N ATOM 146 CA PRO A 14 -4.180 7.611 -2.814 1.00 0.00 C ATOM 147 C PRO A 14 -3.851 6.617 -3.924 1.00 0.00 C ATOM 148 O PRO A 14 -3.898 6.938 -5.111 1.00 0.00 O ATOM 149 CB PRO A 14 -5.695 7.761 -2.663 1.00 0.00 C ATOM 150 CG PRO A 14 -6.043 8.951 -3.488 1.00 0.00 C ATOM 151 CD PRO A 14 -4.863 9.879 -3.393 1.00 0.00 C ATOM 0 HA PRO A 14 -3.686 7.219 -1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.218 6.871 -3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.976 7.907 -1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.234 8.666 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.949 9.432 -3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.721 10.444 -4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.987 10.605 -2.590 1.00 0.00 H new ATOM 159 N PRO A 15 -3.511 5.381 -3.530 1.00 0.00 N ATOM 160 CA PRO A 15 -3.169 4.315 -4.477 1.00 0.00 C ATOM 161 C PRO A 15 -4.379 3.835 -5.272 1.00 0.00 C ATOM 162 O PRO A 15 -5.386 3.421 -4.698 1.00 0.00 O ATOM 163 CB PRO A 15 -2.644 3.195 -3.576 1.00 0.00 C ATOM 164 CG PRO A 15 -3.291 3.436 -2.255 1.00 0.00 C ATOM 165 CD PRO A 15 -3.435 4.928 -2.131 1.00 0.00 C ATOM 0 HA PRO A 15 -2.452 4.650 -5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.905 2.214 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.557 3.228 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.262 2.944 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.684 3.034 -1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.330 5.200 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.586 5.372 -1.611 1.00 0.00 H new ATOM 173 N ARG A 16 -4.273 3.894 -6.595 1.00 0.00 N ATOM 174 CA ARG A 16 -5.359 3.466 -7.469 1.00 0.00 C ATOM 175 C ARG A 16 -5.343 1.952 -7.654 1.00 0.00 C ATOM 176 O ARG A 16 -4.382 1.391 -8.183 1.00 0.00 O ATOM 177 CB ARG A 16 -5.252 4.159 -8.828 1.00 0.00 C ATOM 178 CG ARG A 16 -5.869 5.547 -8.855 1.00 0.00 C ATOM 179 CD ARG A 16 -7.387 5.483 -8.799 1.00 0.00 C ATOM 180 NE ARG A 16 -7.961 5.002 -10.053 1.00 0.00 N ATOM 181 CZ ARG A 16 -8.089 5.755 -11.140 1.00 0.00 C ATOM 182 NH1 ARG A 16 -7.685 7.017 -11.127 1.00 0.00 N ATOM 183 NH2 ARG A 16 -8.621 5.245 -12.243 1.00 0.00 N ATOM 0 H ARG A 16 -3.446 4.234 -7.086 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.302 3.747 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.201 4.233 -9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.739 3.540 -9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.497 6.128 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.559 6.067 -9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.692 4.826 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.784 6.473 -8.575 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.281 4.035 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.275 7.412 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.784 7.593 -11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.932 4.274 -12.257 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.719 5.824 -13.077 1.00 0.00 H new ATOM 197 N LEU A 17 -6.412 1.296 -7.216 1.00 0.00 N ATOM 198 CA LEU A 17 -6.521 -0.154 -7.333 1.00 0.00 C ATOM 199 C LEU A 17 -6.014 -0.630 -8.690 1.00 0.00 C ATOM 200 O LEU A 17 -6.361 -0.064 -9.727 1.00 0.00 O ATOM 201 CB LEU A 17 -7.973 -0.593 -7.136 1.00 0.00 C ATOM 202 CG LEU A 17 -8.180 -2.028 -6.648 1.00 0.00 C ATOM 203 CD1 LEU A 17 -9.531 -2.170 -5.965 1.00 0.00 C ATOM 204 CD2 LEU A 17 -8.060 -3.007 -7.806 1.00 0.00 C ATOM 0 H LEU A 17 -7.216 1.745 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.903 -0.604 -6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.443 0.084 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.500 -0.473 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.402 -2.260 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.660 -3.197 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.579 -1.496 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.323 -1.919 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.210 -4.023 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.815 -2.776 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.068 -2.924 -8.251 1.00 0.00 H new ATOM 216 N GLN A 18 -5.192 -1.675 -8.676 1.00 0.00 N ATOM 217 CA GLN A 18 -4.639 -2.228 -9.906 1.00 0.00 C ATOM 218 C GLN A 18 -5.561 -3.295 -10.487 1.00 0.00 C ATOM 219 O GLN A 18 -5.957 -4.232 -9.794 1.00 0.00 O ATOM 220 CB GLN A 18 -3.253 -2.822 -9.646 1.00 0.00 C ATOM 221 CG GLN A 18 -2.319 -2.735 -10.842 1.00 0.00 C ATOM 222 CD GLN A 18 -1.129 -3.666 -10.722 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.204 -4.838 -11.091 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.022 -3.149 -10.204 1.00 0.00 N ATOM 0 H GLN A 18 -4.895 -2.155 -7.827 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.550 -1.418 -10.630 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.798 -2.304 -8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.363 -3.867 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.873 -2.975 -11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.964 -1.710 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.004 -2.172 -9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.811 -3.729 -10.099 1.00 0.00 H new ATOM 233 N GLY A 19 -5.901 -3.146 -11.764 1.00 0.00 N ATOM 234 CA GLY A 19 -6.774 -4.104 -12.416 1.00 0.00 C ATOM 235 C GLY A 19 -8.040 -4.366 -11.624 1.00 0.00 C ATOM 236 O GLY A 19 -8.986 -3.580 -11.675 1.00 0.00 O ATOM 0 H GLY A 19 -5.587 -2.379 -12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.039 -3.734 -13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.237 -5.042 -12.558 1.00 0.00 H new ATOM 240 N ARG A 20 -8.059 -5.475 -10.892 1.00 0.00 N ATOM 241 CA ARG A 20 -9.220 -5.840 -10.089 1.00 0.00 C ATOM 242 C ARG A 20 -8.790 -6.423 -8.745 1.00 0.00 C ATOM 243 O ARG A 20 -7.820 -7.174 -8.649 1.00 0.00 O ATOM 244 CB ARG A 20 -10.089 -6.850 -10.840 1.00 0.00 C ATOM 245 CG ARG A 20 -10.741 -6.282 -12.090 1.00 0.00 C ATOM 246 CD ARG A 20 -12.080 -5.636 -11.776 1.00 0.00 C ATOM 247 NE ARG A 20 -12.756 -5.162 -12.981 1.00 0.00 N ATOM 248 CZ ARG A 20 -13.854 -4.415 -12.963 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.399 -4.059 -11.807 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.411 -4.023 -14.102 1.00 0.00 N ATOM 0 H ARG A 20 -7.284 -6.136 -10.838 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.801 -4.937 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.477 -7.708 -11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.866 -7.217 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.078 -5.545 -12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.882 -7.078 -12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.718 -6.355 -11.262 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.928 -4.800 -11.093 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.363 -5.419 -13.886 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.975 -4.359 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.242 -3.485 -11.796 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.996 -4.295 -14.993 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.254 -3.449 -14.086 1.00 0.00 H new ATOM 264 N PRO A 21 -9.528 -6.069 -7.683 1.00 0.00 N ATOM 265 CA PRO A 21 -9.243 -6.545 -6.326 1.00 0.00 C ATOM 266 C PRO A 21 -9.538 -8.031 -6.159 1.00 0.00 C ATOM 267 O PRO A 21 -10.159 -8.653 -7.022 1.00 0.00 O ATOM 268 CB PRO A 21 -10.183 -5.711 -5.452 1.00 0.00 C ATOM 269 CG PRO A 21 -11.305 -5.333 -6.357 1.00 0.00 C ATOM 270 CD PRO A 21 -10.699 -5.177 -7.724 1.00 0.00 C ATOM 0 HA PRO A 21 -8.190 -6.434 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.540 -6.284 -4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.678 -4.829 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.080 -6.099 -6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.775 -4.405 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.398 -5.467 -8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.411 -4.144 -7.920 1.00 0.00 H new ATOM 278 N LYS A 22 -9.091 -8.597 -5.043 1.00 0.00 N ATOM 279 CA LYS A 22 -9.308 -10.011 -4.761 1.00 0.00 C ATOM 280 C LYS A 22 -10.163 -10.191 -3.511 1.00 0.00 C ATOM 281 O LYS A 22 -10.527 -9.218 -2.851 1.00 0.00 O ATOM 282 CB LYS A 22 -7.968 -10.729 -4.584 1.00 0.00 C ATOM 283 CG LYS A 22 -7.022 -10.549 -5.758 1.00 0.00 C ATOM 284 CD LYS A 22 -7.239 -11.615 -6.818 1.00 0.00 C ATOM 285 CE LYS A 22 -6.647 -11.200 -8.156 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.206 -11.563 -8.262 1.00 0.00 N ATOM 0 H LYS A 22 -8.576 -8.097 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.837 -10.448 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.485 -10.361 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.152 -11.793 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.170 -9.562 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.991 -10.590 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.785 -12.551 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.307 -11.802 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.202 -11.678 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.761 -10.124 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.840 -11.263 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.672 -11.087 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.099 -12.593 -8.164 1.00 0.00 H new ATOM 300 N ALA A 23 -10.478 -11.442 -3.190 1.00 0.00 N ATOM 301 CA ALA A 23 -11.287 -11.749 -2.017 1.00 0.00 C ATOM 302 C ALA A 23 -10.577 -11.327 -0.735 1.00 0.00 C ATOM 303 O ALA A 23 -11.123 -10.571 0.069 1.00 0.00 O ATOM 304 CB ALA A 23 -11.615 -13.234 -1.976 1.00 0.00 C ATOM 0 H ALA A 23 -10.185 -12.259 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.217 -11.185 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.220 -13.449 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.170 -13.509 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.691 -13.810 -1.931 1.00 0.00 H new ATOM 310 N LYS A 24 -9.357 -11.820 -0.550 1.00 0.00 N ATOM 311 CA LYS A 24 -8.571 -11.494 0.634 1.00 0.00 C ATOM 312 C LYS A 24 -7.293 -10.753 0.252 1.00 0.00 C ATOM 313 O LYS A 24 -6.366 -10.644 1.053 1.00 0.00 O ATOM 314 CB LYS A 24 -8.223 -12.768 1.407 1.00 0.00 C ATOM 315 CG LYS A 24 -9.440 -13.546 1.876 1.00 0.00 C ATOM 316 CD LYS A 24 -9.084 -14.524 2.983 1.00 0.00 C ATOM 317 CE LYS A 24 -10.264 -14.772 3.910 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.901 -15.667 5.043 1.00 0.00 N ATOM 0 H LYS A 24 -8.891 -12.447 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.171 -10.843 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.612 -13.412 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.616 -12.503 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.201 -12.852 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.872 -14.088 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.760 -15.468 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.244 -14.134 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.625 -13.821 4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.083 -15.216 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.732 -15.811 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.580 -16.584 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.137 -15.232 5.598 1.00 0.00 H new ATOM 332 N GLU A 25 -7.253 -10.246 -0.976 1.00 0.00 N ATOM 333 CA GLU A 25 -6.089 -9.515 -1.463 1.00 0.00 C ATOM 334 C GLU A 25 -6.512 -8.319 -2.310 1.00 0.00 C ATOM 335 O GLU A 25 -7.599 -8.308 -2.888 1.00 0.00 O ATOM 336 CB GLU A 25 -5.185 -10.440 -2.281 1.00 0.00 C ATOM 337 CG GLU A 25 -4.288 -11.324 -1.431 1.00 0.00 C ATOM 338 CD GLU A 25 -3.719 -12.495 -2.207 1.00 0.00 C ATOM 339 OE1 GLU A 25 -3.004 -12.255 -3.203 1.00 0.00 O ATOM 340 OE2 GLU A 25 -3.987 -13.652 -1.819 1.00 0.00 O ATOM 0 H GLU A 25 -8.013 -10.328 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.535 -9.147 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.806 -11.071 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.564 -9.835 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.469 -10.726 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.855 -11.699 -0.579 1.00 0.00 H new ATOM 347 N ILE A 26 -5.646 -7.313 -2.377 1.00 0.00 N ATOM 348 CA ILE A 26 -5.929 -6.113 -3.154 1.00 0.00 C ATOM 349 C ILE A 26 -4.645 -5.493 -3.695 1.00 0.00 C ATOM 350 O ILE A 26 -3.711 -5.220 -2.942 1.00 0.00 O ATOM 351 CB ILE A 26 -6.678 -5.062 -2.313 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.912 -5.687 -1.657 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.075 -3.876 -3.178 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.630 -4.753 -0.709 1.00 0.00 C ATOM 0 H ILE A 26 -4.743 -7.305 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.562 -6.418 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.012 -4.706 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.605 -6.005 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.610 -6.582 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.603 -3.142 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.181 -3.419 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.726 -4.215 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.494 -5.262 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.952 -4.454 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.963 -3.868 -1.252 1.00 0.00 H new ATOM 366 N GLN A 27 -4.609 -5.271 -5.005 1.00 0.00 N ATOM 367 CA GLN A 27 -3.440 -4.681 -5.647 1.00 0.00 C ATOM 368 C GLN A 27 -3.576 -3.165 -5.739 1.00 0.00 C ATOM 369 O GLN A 27 -4.617 -2.648 -6.146 1.00 0.00 O ATOM 370 CB GLN A 27 -3.246 -5.274 -7.044 1.00 0.00 C ATOM 371 CG GLN A 27 -2.644 -6.669 -7.035 1.00 0.00 C ATOM 372 CD GLN A 27 -2.868 -7.411 -8.338 1.00 0.00 C ATOM 373 OE1 GLN A 27 -1.992 -7.450 -9.202 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.047 -8.004 -8.487 1.00 0.00 N ATOM 0 H GLN A 27 -5.375 -5.490 -5.642 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.566 -4.912 -5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.209 -5.307 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.602 -4.613 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.574 -6.597 -6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.078 -7.242 -6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.744 -7.946 -7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.255 -8.517 -9.344 1.00 0.00 H new ATOM 383 N LEU A 28 -2.518 -2.457 -5.358 1.00 0.00 N ATOM 384 CA LEU A 28 -2.519 -0.999 -5.397 1.00 0.00 C ATOM 385 C LEU A 28 -1.573 -0.482 -6.476 1.00 0.00 C ATOM 386 O LEU A 28 -0.667 -1.193 -6.913 1.00 0.00 O ATOM 387 CB LEU A 28 -2.116 -0.432 -4.035 1.00 0.00 C ATOM 388 CG LEU A 28 -3.198 -0.450 -2.954 1.00 0.00 C ATOM 389 CD1 LEU A 28 -4.560 -0.144 -3.557 1.00 0.00 C ATOM 390 CD2 LEU A 28 -3.218 -1.794 -2.241 1.00 0.00 C ATOM 0 H LEU A 28 -1.649 -2.869 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.529 -0.668 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.256 -0.994 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.788 0.598 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.966 0.323 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.317 -0.161 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.540 0.843 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.801 -0.894 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.994 -1.788 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.425 -2.585 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.249 -1.973 -1.774 1.00 0.00 H new ATOM 402 N ARG A 29 -1.787 0.759 -6.899 1.00 0.00 N ATOM 403 CA ARG A 29 -0.952 1.371 -7.925 1.00 0.00 C ATOM 404 C ARG A 29 -0.930 2.890 -7.774 1.00 0.00 C ATOM 405 O ARG A 29 -1.899 3.570 -8.111 1.00 0.00 O ATOM 406 CB ARG A 29 -1.460 0.994 -9.318 1.00 0.00 C ATOM 407 CG ARG A 29 -0.662 1.623 -10.449 1.00 0.00 C ATOM 408 CD ARG A 29 0.493 0.732 -10.879 1.00 0.00 C ATOM 409 NE ARG A 29 1.113 1.199 -12.116 1.00 0.00 N ATOM 410 CZ ARG A 29 1.970 0.475 -12.827 1.00 0.00 C ATOM 411 NH1 ARG A 29 2.307 -0.743 -12.426 1.00 0.00 N ATOM 412 NH2 ARG A 29 2.493 0.969 -13.942 1.00 0.00 N ATOM 0 H ARG A 29 -2.532 1.361 -6.547 1.00 0.00 H new ATOM 0 HA ARG A 29 0.064 0.996 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.432 -0.090 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.503 1.296 -9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.318 1.806 -11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.277 2.591 -10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.242 0.702 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.133 -0.288 -11.016 1.00 0.00 H new ATOM 0 HE ARG A 29 0.875 2.132 -12.452 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.908 -1.127 -11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.965 -1.296 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.237 1.906 -14.254 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.151 0.412 -14.487 1.00 0.00 H new ATOM 426 N TRP A 30 0.180 3.412 -7.266 1.00 0.00 N ATOM 427 CA TRP A 30 0.327 4.850 -7.070 1.00 0.00 C ATOM 428 C TRP A 30 1.532 5.383 -7.837 1.00 0.00 C ATOM 429 O TRP A 30 2.182 4.648 -8.579 1.00 0.00 O ATOM 430 CB TRP A 30 0.472 5.170 -5.582 1.00 0.00 C ATOM 431 CG TRP A 30 1.654 4.506 -4.943 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.872 5.068 -4.689 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.731 3.153 -4.481 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.702 4.147 -4.096 1.00 0.00 N ATOM 435 CE2 TRP A 30 3.025 2.964 -3.957 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.832 2.083 -4.457 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.439 1.749 -3.418 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.245 0.878 -3.922 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.538 0.719 -3.407 1.00 0.00 C ATOM 0 H TRP A 30 0.991 2.862 -6.982 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.569 5.338 -7.454 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.559 6.249 -5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.434 4.861 -5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.144 6.087 -4.920 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.665 4.317 -3.806 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.168 2.196 -4.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.436 1.624 -3.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.559 0.044 -3.900 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.829 -0.235 -2.993 1.00 0.00 H new ATOM 450 N GLY A 31 1.825 6.667 -7.653 1.00 0.00 N ATOM 451 CA GLY A 31 2.952 7.276 -8.335 1.00 0.00 C ATOM 452 C GLY A 31 3.683 8.280 -7.465 1.00 0.00 C ATOM 453 O GLY A 31 3.298 8.541 -6.325 1.00 0.00 O ATOM 0 H GLY A 31 1.302 7.296 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.647 6.497 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.600 7.772 -9.240 1.00 0.00 H new ATOM 457 N PRO A 32 4.765 8.860 -8.006 1.00 0.00 N ATOM 458 CA PRO A 32 5.574 9.849 -7.287 1.00 0.00 C ATOM 459 C PRO A 32 4.840 11.171 -7.096 1.00 0.00 C ATOM 460 O PRO A 32 4.240 11.715 -8.023 1.00 0.00 O ATOM 461 CB PRO A 32 6.791 10.039 -8.197 1.00 0.00 C ATOM 462 CG PRO A 32 6.305 9.678 -9.559 1.00 0.00 C ATOM 463 CD PRO A 32 5.280 8.596 -9.359 1.00 0.00 C ATOM 0 HA PRO A 32 5.825 9.516 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.153 11.067 -8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.619 9.400 -7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.868 10.542 -10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.125 9.328 -10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.489 8.648 -10.107 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.724 7.603 -9.433 1.00 0.00 H new ATOM 471 N PRO A 33 4.887 11.702 -5.866 1.00 0.00 N ATOM 472 CA PRO A 33 4.231 12.969 -5.524 1.00 0.00 C ATOM 473 C PRO A 33 4.913 14.168 -6.174 1.00 0.00 C ATOM 474 O PRO A 33 6.043 14.067 -6.655 1.00 0.00 O ATOM 475 CB PRO A 33 4.365 13.038 -4.001 1.00 0.00 C ATOM 476 CG PRO A 33 5.563 12.209 -3.688 1.00 0.00 C ATOM 477 CD PRO A 33 5.584 11.108 -4.712 1.00 0.00 C ATOM 0 HA PRO A 33 3.200 13.003 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.495 14.066 -3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.474 12.649 -3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.474 12.805 -3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.503 11.802 -2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.603 10.814 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.075 10.214 -4.352 1.00 0.00 H new ATOM 485 N LEU A 34 4.221 15.301 -6.186 1.00 0.00 N ATOM 486 CA LEU A 34 4.760 16.521 -6.777 1.00 0.00 C ATOM 487 C LEU A 34 5.717 17.217 -5.813 1.00 0.00 C ATOM 488 O LEU A 34 6.732 17.777 -6.226 1.00 0.00 O ATOM 489 CB LEU A 34 3.624 17.471 -7.160 1.00 0.00 C ATOM 490 CG LEU A 34 3.060 17.308 -8.572 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.630 17.820 -8.638 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.936 18.033 -9.583 1.00 0.00 C ATOM 0 H LEU A 34 3.285 15.401 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 34 5.314 16.246 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.810 17.338 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.980 18.495 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 34 3.055 16.247 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.245 17.696 -9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.009 17.256 -7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.609 18.876 -8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.520 17.906 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.973 19.094 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.944 17.619 -9.555 1.00 0.00 H new ATOM 504 N VAL A 35 5.386 17.175 -4.526 1.00 0.00 N ATOM 505 CA VAL A 35 6.216 17.798 -3.503 1.00 0.00 C ATOM 506 C VAL A 35 7.031 16.755 -2.746 1.00 0.00 C ATOM 507 O VAL A 35 6.541 16.136 -1.801 1.00 0.00 O ATOM 508 CB VAL A 35 5.365 18.597 -2.498 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.244 19.520 -1.668 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.285 19.385 -3.224 1.00 0.00 C ATOM 0 H VAL A 35 4.549 16.716 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 35 6.892 18.480 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 35 4.878 17.895 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.625 20.076 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.976 18.928 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.762 20.218 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.693 19.944 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.750 20.079 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.638 18.698 -3.769 1.00 0.00 H new ATOM 520 N ASP A 36 8.276 16.566 -3.167 1.00 0.00 N ATOM 521 CA ASP A 36 9.161 15.598 -2.528 1.00 0.00 C ATOM 522 C ASP A 36 10.027 16.271 -1.468 1.00 0.00 C ATOM 523 O ASP A 36 11.122 15.803 -1.158 1.00 0.00 O ATOM 524 CB ASP A 36 10.047 14.917 -3.572 1.00 0.00 C ATOM 525 CG ASP A 36 10.962 15.896 -4.281 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.359 16.900 -3.652 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.283 15.658 -5.464 1.00 0.00 O ATOM 0 H ASP A 36 8.696 17.070 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 36 8.543 14.844 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.648 14.147 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.418 14.415 -4.307 1.00 0.00 H new ATOM 532 N GLY A 37 9.529 17.374 -0.916 1.00 0.00 N ATOM 533 CA GLY A 37 10.272 18.094 0.102 1.00 0.00 C ATOM 534 C GLY A 37 11.585 18.643 -0.418 1.00 0.00 C ATOM 535 O GLY A 37 12.516 18.879 0.352 1.00 0.00 O ATOM 0 H GLY A 37 8.625 17.781 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.663 18.915 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.468 17.429 0.943 1.00 0.00 H new ATOM 539 N GLY A 38 11.663 18.846 -1.730 1.00 0.00 N ATOM 540 CA GLY A 38 12.877 19.367 -2.329 1.00 0.00 C ATOM 541 C GLY A 38 13.838 18.270 -2.740 1.00 0.00 C ATOM 542 O GLY A 38 14.578 18.415 -3.714 1.00 0.00 O ATOM 0 H GLY A 38 10.907 18.659 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.619 19.966 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.371 20.032 -1.621 1.00 0.00 H new ATOM 546 N SER A 39 13.830 17.168 -1.996 1.00 0.00 N ATOM 547 CA SER A 39 14.711 16.043 -2.285 1.00 0.00 C ATOM 548 C SER A 39 13.965 14.949 -3.043 1.00 0.00 C ATOM 549 O SER A 39 12.760 14.759 -2.883 1.00 0.00 O ATOM 550 CB SER A 39 15.292 15.477 -0.988 1.00 0.00 C ATOM 551 OG SER A 39 16.541 16.074 -0.685 1.00 0.00 O ATOM 0 H SER A 39 13.223 17.031 -1.188 1.00 0.00 H new ATOM 0 HA SER A 39 15.526 16.403 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.595 15.649 -0.168 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.414 14.398 -1.081 1.00 0.00 H new ATOM 0 HG SER A 39 16.402 17.009 -0.425 1.00 0.00 H new ATOM 557 N PRO A 40 14.699 14.210 -3.888 1.00 0.00 N ATOM 558 CA PRO A 40 14.129 13.122 -4.688 1.00 0.00 C ATOM 559 C PRO A 40 13.730 11.923 -3.833 1.00 0.00 C ATOM 560 O PRO A 40 14.571 11.310 -3.176 1.00 0.00 O ATOM 561 CB PRO A 40 15.269 12.745 -5.638 1.00 0.00 C ATOM 562 CG PRO A 40 16.509 13.159 -4.924 1.00 0.00 C ATOM 563 CD PRO A 40 16.142 14.381 -4.129 1.00 0.00 C ATOM 0 HA PRO A 40 13.215 13.426 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.272 11.676 -5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.173 13.258 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.868 12.363 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.310 13.379 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.702 14.436 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.352 15.297 -4.681 1.00 0.00 H new ATOM 571 N ILE A 41 12.442 11.595 -3.848 1.00 0.00 N ATOM 572 CA ILE A 41 11.932 10.469 -3.076 1.00 0.00 C ATOM 573 C ILE A 41 12.959 9.344 -3.001 1.00 0.00 C ATOM 574 O ILE A 41 13.735 9.135 -3.933 1.00 0.00 O ATOM 575 CB ILE A 41 10.627 9.918 -3.679 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.560 11.014 -3.730 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.132 8.727 -2.872 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.134 11.506 -2.365 1.00 0.00 C ATOM 0 H ILE A 41 11.733 12.093 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 41 11.730 10.841 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 41 10.827 9.584 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.942 11.856 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.686 10.635 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.209 8.349 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.887 7.941 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.945 9.037 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.376 12.281 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.721 10.676 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.997 11.916 -1.840 1.00 0.00 H new ATOM 590 N SER A 42 12.957 8.622 -1.885 1.00 0.00 N ATOM 591 CA SER A 42 13.890 7.519 -1.687 1.00 0.00 C ATOM 592 C SER A 42 13.141 6.211 -1.446 1.00 0.00 C ATOM 593 O SER A 42 13.688 5.125 -1.644 1.00 0.00 O ATOM 594 CB SER A 42 14.817 7.813 -0.507 1.00 0.00 C ATOM 595 OG SER A 42 15.705 6.733 -0.274 1.00 0.00 O ATOM 0 H SER A 42 12.320 8.781 -1.104 1.00 0.00 H new ATOM 0 HA SER A 42 14.488 7.414 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.387 8.720 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.223 7.999 0.388 1.00 0.00 H new ATOM 0 HG SER A 42 16.288 6.947 0.484 1.00 0.00 H new ATOM 601 N CYS A 43 11.889 6.324 -1.019 1.00 0.00 N ATOM 602 CA CYS A 43 11.064 5.151 -0.750 1.00 0.00 C ATOM 603 C CYS A 43 9.623 5.556 -0.455 1.00 0.00 C ATOM 604 O CYS A 43 9.307 6.742 -0.364 1.00 0.00 O ATOM 605 CB CYS A 43 11.635 4.359 0.427 1.00 0.00 C ATOM 606 SG CYS A 43 12.106 5.380 1.844 1.00 0.00 S ATOM 0 H CYS A 43 11.422 7.215 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 43 11.071 4.521 -1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.896 3.626 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.509 3.803 0.087 1.00 0.00 H new ATOM 0 HG CYS A 43 11.293 5.151 2.833 1.00 0.00 H new ATOM 612 N TYR A 44 8.754 4.562 -0.309 1.00 0.00 N ATOM 613 CA TYR A 44 7.345 4.814 -0.028 1.00 0.00 C ATOM 614 C TYR A 44 6.824 3.863 1.044 1.00 0.00 C ATOM 615 O TYR A 44 7.529 2.950 1.476 1.00 0.00 O ATOM 616 CB TYR A 44 6.515 4.666 -1.305 1.00 0.00 C ATOM 617 CG TYR A 44 6.816 5.718 -2.348 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.201 6.963 -2.305 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.715 5.466 -3.377 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.472 7.927 -3.257 1.00 0.00 C ATOM 621 CE2 TYR A 44 7.994 6.425 -4.333 1.00 0.00 C ATOM 622 CZ TYR A 44 7.369 7.653 -4.269 1.00 0.00 C ATOM 623 OH TYR A 44 7.643 8.610 -5.218 1.00 0.00 O ATOM 0 H TYR A 44 9.000 3.575 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 44 7.251 5.835 0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.695 3.680 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.457 4.713 -1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.499 7.181 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.204 4.505 -3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.984 8.890 -3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.697 6.214 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 44 8.296 8.258 -5.859 1.00 0.00 H new ATOM 633 N SER A 45 5.585 4.083 1.470 1.00 0.00 N ATOM 634 CA SER A 45 4.969 3.248 2.494 1.00 0.00 C ATOM 635 C SER A 45 3.447 3.305 2.399 1.00 0.00 C ATOM 636 O SER A 45 2.854 4.384 2.389 1.00 0.00 O ATOM 637 CB SER A 45 5.420 3.695 3.886 1.00 0.00 C ATOM 638 OG SER A 45 4.817 2.905 4.896 1.00 0.00 O ATOM 0 H SER A 45 4.988 4.833 1.122 1.00 0.00 H new ATOM 0 HA SER A 45 5.288 2.219 2.328 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.505 3.621 3.961 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.161 4.743 4.037 1.00 0.00 H new ATOM 0 HG SER A 45 5.474 2.715 5.598 1.00 0.00 H new ATOM 644 N VAL A 46 2.821 2.135 2.328 1.00 0.00 N ATOM 645 CA VAL A 46 1.368 2.049 2.234 1.00 0.00 C ATOM 646 C VAL A 46 0.765 1.510 3.526 1.00 0.00 C ATOM 647 O VAL A 46 1.080 0.400 3.953 1.00 0.00 O ATOM 648 CB VAL A 46 0.933 1.149 1.062 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.583 1.046 1.002 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.493 1.677 -0.250 1.00 0.00 C ATOM 0 H VAL A 46 3.297 1.233 2.334 1.00 0.00 H new ATOM 0 HA VAL A 46 1.002 3.061 2.060 1.00 0.00 H new ATOM 0 HB VAL A 46 1.334 0.149 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.871 0.406 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.956 0.619 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.010 2.039 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.176 1.030 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.123 2.688 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.582 1.693 -0.201 1.00 0.00 H new ATOM 660 N GLU A 47 -0.106 2.303 4.143 1.00 0.00 N ATOM 661 CA GLU A 47 -0.753 1.905 5.387 1.00 0.00 C ATOM 662 C GLU A 47 -2.248 1.683 5.175 1.00 0.00 C ATOM 663 O GLU A 47 -3.021 2.637 5.083 1.00 0.00 O ATOM 664 CB GLU A 47 -0.531 2.966 6.466 1.00 0.00 C ATOM 665 CG GLU A 47 -1.020 2.546 7.842 1.00 0.00 C ATOM 666 CD GLU A 47 -0.460 3.416 8.951 1.00 0.00 C ATOM 667 OE1 GLU A 47 0.680 3.159 9.390 1.00 0.00 O ATOM 668 OE2 GLU A 47 -1.163 4.356 9.379 1.00 0.00 O ATOM 0 H GLU A 47 -0.379 3.224 3.801 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.307 0.966 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.533 3.198 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.042 3.883 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.109 2.590 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.739 1.508 8.022 1.00 0.00 H new ATOM 675 N MET A 48 -2.648 0.418 5.099 1.00 0.00 N ATOM 676 CA MET A 48 -4.051 0.072 4.899 1.00 0.00 C ATOM 677 C MET A 48 -4.773 -0.063 6.235 1.00 0.00 C ATOM 678 O MET A 48 -4.176 -0.456 7.238 1.00 0.00 O ATOM 679 CB MET A 48 -4.168 -1.233 4.109 1.00 0.00 C ATOM 680 CG MET A 48 -5.585 -1.777 4.041 1.00 0.00 C ATOM 681 SD MET A 48 -5.634 -3.547 3.699 1.00 0.00 S ATOM 682 CE MET A 48 -5.297 -4.216 5.326 1.00 0.00 C ATOM 0 H MET A 48 -2.022 -0.384 5.173 1.00 0.00 H new ATOM 0 HA MET A 48 -4.521 0.876 4.332 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.802 -1.069 3.096 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.521 -1.983 4.564 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.092 -1.579 4.986 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.137 -1.246 3.266 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.550 -5.006 5.247 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.921 -3.424 5.974 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.215 -4.626 5.748 1.00 0.00 H new ATOM 692 N SER A 49 -6.061 0.266 6.243 1.00 0.00 N ATOM 693 CA SER A 49 -6.864 0.185 7.457 1.00 0.00 C ATOM 694 C SER A 49 -8.327 -0.093 7.125 1.00 0.00 C ATOM 695 O SER A 49 -8.909 0.506 6.220 1.00 0.00 O ATOM 696 CB SER A 49 -6.749 1.484 8.257 1.00 0.00 C ATOM 697 OG SER A 49 -7.933 1.736 8.994 1.00 0.00 O ATOM 0 H SER A 49 -6.571 0.591 5.422 1.00 0.00 H new ATOM 0 HA SER A 49 -6.484 -0.640 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.900 1.422 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.555 2.316 7.580 1.00 0.00 H new ATOM 0 HG SER A 49 -7.833 2.571 9.498 1.00 0.00 H new ATOM 703 N PRO A 50 -8.936 -1.025 7.873 1.00 0.00 N ATOM 704 CA PRO A 50 -10.338 -1.405 7.677 1.00 0.00 C ATOM 705 C PRO A 50 -11.302 -0.299 8.094 1.00 0.00 C ATOM 706 O PRO A 50 -11.523 -0.072 9.284 1.00 0.00 O ATOM 707 CB PRO A 50 -10.504 -2.628 8.582 1.00 0.00 C ATOM 708 CG PRO A 50 -9.463 -2.463 9.636 1.00 0.00 C ATOM 709 CD PRO A 50 -8.303 -1.779 8.968 1.00 0.00 C ATOM 0 HA PRO A 50 -10.565 -1.600 6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.503 -2.667 9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.361 -3.554 8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.841 -1.868 10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.164 -3.429 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.774 -1.120 9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.575 -2.498 8.592 1.00 0.00 H new ATOM 717 N ILE A 51 -11.872 0.385 7.108 1.00 0.00 N ATOM 718 CA ILE A 51 -12.813 1.466 7.374 1.00 0.00 C ATOM 719 C ILE A 51 -13.669 1.161 8.599 1.00 0.00 C ATOM 720 O ILE A 51 -13.997 2.056 9.377 1.00 0.00 O ATOM 721 CB ILE A 51 -13.736 1.719 6.167 1.00 0.00 C ATOM 722 CG1 ILE A 51 -15.033 2.392 6.621 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.034 0.413 5.446 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.717 3.184 5.529 1.00 0.00 C ATOM 0 H ILE A 51 -11.699 0.210 6.118 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.220 2.361 7.562 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.227 2.387 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.719 1.629 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.815 3.056 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.687 0.608 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.102 -0.029 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.527 -0.277 6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.629 3.633 5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.049 3.969 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.967 2.521 4.701 1.00 0.00 H new ATOM 736 N GLU A 52 -14.026 -0.109 8.763 1.00 0.00 N ATOM 737 CA GLU A 52 -14.843 -0.532 9.894 1.00 0.00 C ATOM 738 C GLU A 52 -14.181 -0.152 11.216 1.00 0.00 C ATOM 739 O GLU A 52 -14.825 0.392 12.113 1.00 0.00 O ATOM 740 CB GLU A 52 -15.079 -2.043 9.845 1.00 0.00 C ATOM 741 CG GLU A 52 -13.822 -2.846 9.560 1.00 0.00 C ATOM 742 CD GLU A 52 -14.071 -4.342 9.569 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.974 -4.789 10.306 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.362 -5.065 8.837 1.00 0.00 O ATOM 0 H GLU A 52 -13.762 -0.862 8.128 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.803 -0.020 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.499 -2.368 10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.821 -2.262 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.421 -2.554 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.064 -2.603 10.304 1.00 0.00 H new ATOM 751 N LYS A 53 -12.890 -0.444 11.329 1.00 0.00 N ATOM 752 CA LYS A 53 -12.138 -0.134 12.539 1.00 0.00 C ATOM 753 C LYS A 53 -10.804 0.523 12.198 1.00 0.00 C ATOM 754 O LYS A 53 -10.163 0.170 11.208 1.00 0.00 O ATOM 755 CB LYS A 53 -11.898 -1.406 13.355 1.00 0.00 C ATOM 756 CG LYS A 53 -11.147 -2.485 12.594 1.00 0.00 C ATOM 757 CD LYS A 53 -11.364 -3.856 13.211 1.00 0.00 C ATOM 758 CE LYS A 53 -10.905 -4.966 12.278 1.00 0.00 C ATOM 759 NZ LYS A 53 -10.552 -6.206 13.023 1.00 0.00 N ATOM 0 H LYS A 53 -12.342 -0.895 10.597 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.726 0.566 13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.337 -1.150 14.254 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.859 -1.805 13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.478 -2.496 11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.082 -2.252 12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.820 -3.923 14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.421 -3.988 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.695 -5.186 11.560 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.041 -4.627 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.244 -6.938 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.781 -6.002 13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.384 -6.545 13.547 1.00 0.00 H new ATOM 773 N ASP A 54 -10.391 1.478 13.024 1.00 0.00 N ATOM 774 CA ASP A 54 -9.132 2.182 12.811 1.00 0.00 C ATOM 775 C ASP A 54 -7.948 1.317 13.233 1.00 0.00 C ATOM 776 O ASP A 54 -7.455 1.429 14.355 1.00 0.00 O ATOM 777 CB ASP A 54 -9.121 3.499 13.589 1.00 0.00 C ATOM 778 CG ASP A 54 -7.874 4.318 13.323 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.487 4.442 12.142 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.284 4.834 14.295 1.00 0.00 O ATOM 0 H ASP A 54 -10.910 1.782 13.848 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.040 2.398 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.001 4.084 13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.193 3.288 14.656 1.00 0.00 H new ATOM 785 N GLU A 55 -7.498 0.456 12.326 1.00 0.00 N ATOM 786 CA GLU A 55 -6.373 -0.429 12.606 1.00 0.00 C ATOM 787 C GLU A 55 -5.352 -0.386 11.473 1.00 0.00 C ATOM 788 O GLU A 55 -5.136 -1.368 10.762 1.00 0.00 O ATOM 789 CB GLU A 55 -6.863 -1.864 12.813 1.00 0.00 C ATOM 790 CG GLU A 55 -5.903 -2.725 13.615 1.00 0.00 C ATOM 791 CD GLU A 55 -6.597 -3.880 14.310 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.462 -4.520 13.676 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.275 -4.145 15.488 1.00 0.00 O ATOM 0 H GLU A 55 -7.895 0.352 11.392 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.890 -0.083 13.520 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.827 -1.840 13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.027 -2.327 11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.131 -3.116 12.952 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.401 -2.107 14.359 1.00 0.00 H new ATOM 800 N PRO A 56 -4.710 0.778 11.299 1.00 0.00 N ATOM 801 CA PRO A 56 -3.702 0.978 10.254 1.00 0.00 C ATOM 802 C PRO A 56 -2.420 0.199 10.529 1.00 0.00 C ATOM 803 O PRO A 56 -1.992 0.076 11.677 1.00 0.00 O ATOM 804 CB PRO A 56 -3.434 2.484 10.303 1.00 0.00 C ATOM 805 CG PRO A 56 -3.786 2.887 11.693 1.00 0.00 C ATOM 806 CD PRO A 56 -4.918 1.990 12.110 1.00 0.00 C ATOM 0 HA PRO A 56 -4.046 0.624 9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.391 2.708 10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.040 3.018 9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.932 2.773 12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.084 3.935 11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.884 1.770 13.177 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.887 2.446 11.909 1.00 0.00 H new ATOM 814 N ARG A 57 -1.811 -0.324 9.470 1.00 0.00 N ATOM 815 CA ARG A 57 -0.578 -1.091 9.598 1.00 0.00 C ATOM 816 C ARG A 57 0.209 -1.077 8.291 1.00 0.00 C ATOM 817 O ARG A 57 -0.371 -1.109 7.206 1.00 0.00 O ATOM 818 CB ARG A 57 -0.889 -2.533 10.003 1.00 0.00 C ATOM 819 CG ARG A 57 -1.475 -3.369 8.877 1.00 0.00 C ATOM 820 CD ARG A 57 -2.962 -3.102 8.701 1.00 0.00 C ATOM 821 NE ARG A 57 -3.770 -3.852 9.659 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.924 -5.171 9.617 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.327 -5.882 8.669 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.675 -5.782 10.524 1.00 0.00 N ATOM 0 H ARG A 57 -2.152 -0.230 8.513 1.00 0.00 H new ATOM 0 HA ARG A 57 0.031 -0.626 10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.026 -3.007 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.588 -2.524 10.839 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.952 -3.147 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.316 -4.427 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.155 -2.036 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.261 -3.369 7.687 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.242 -3.335 10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.748 -5.416 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.447 -6.894 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.135 -5.239 11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.792 -6.795 10.491 1.00 0.00 H new ATOM 838 N GLU A 58 1.533 -1.030 8.404 1.00 0.00 N ATOM 839 CA GLU A 58 2.399 -1.010 7.231 1.00 0.00 C ATOM 840 C GLU A 58 2.292 -2.319 6.454 1.00 0.00 C ATOM 841 O GLU A 58 2.951 -3.305 6.784 1.00 0.00 O ATOM 842 CB GLU A 58 3.852 -0.768 7.646 1.00 0.00 C ATOM 843 CG GLU A 58 4.857 -1.069 6.547 1.00 0.00 C ATOM 844 CD GLU A 58 6.286 -1.090 7.053 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.732 -0.065 7.611 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.959 -2.129 6.892 1.00 0.00 O ATOM 0 H GLU A 58 2.029 -1.005 9.295 1.00 0.00 H new ATOM 0 HA GLU A 58 2.073 -0.195 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.965 0.271 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.081 -1.385 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.620 -2.034 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.765 -0.320 5.761 1.00 0.00 H new ATOM 853 N VAL A 59 1.456 -2.321 5.421 1.00 0.00 N ATOM 854 CA VAL A 59 1.262 -3.507 4.596 1.00 0.00 C ATOM 855 C VAL A 59 2.279 -3.560 3.462 1.00 0.00 C ATOM 856 O VAL A 59 2.404 -4.573 2.773 1.00 0.00 O ATOM 857 CB VAL A 59 -0.158 -3.551 4.000 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.202 -3.530 5.106 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.367 -2.392 3.037 1.00 0.00 C ATOM 0 H VAL A 59 0.902 -1.514 5.135 1.00 0.00 H new ATOM 0 HA VAL A 59 1.402 -4.371 5.246 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.271 -4.481 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.199 -3.562 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.064 -4.396 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.093 -2.617 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.375 -2.438 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.235 -1.449 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.359 -2.457 2.227 1.00 0.00 H new ATOM 869 N TYR A 60 3.004 -2.464 3.273 1.00 0.00 N ATOM 870 CA TYR A 60 4.010 -2.384 2.221 1.00 0.00 C ATOM 871 C TYR A 60 5.024 -1.283 2.518 1.00 0.00 C ATOM 872 O TYR A 60 4.718 -0.315 3.213 1.00 0.00 O ATOM 873 CB TYR A 60 3.344 -2.127 0.868 1.00 0.00 C ATOM 874 CG TYR A 60 4.299 -2.205 -0.302 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.677 -3.431 -0.834 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.823 -1.053 -0.874 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.550 -3.508 -1.902 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.695 -1.119 -1.944 1.00 0.00 C ATOM 879 CZ TYR A 60 6.055 -2.349 -2.454 1.00 0.00 C ATOM 880 OH TYR A 60 6.925 -2.420 -3.518 1.00 0.00 O ATOM 0 H TYR A 60 2.914 -1.618 3.835 1.00 0.00 H new ATOM 0 HA TYR A 60 4.537 -3.338 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.544 -2.853 0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.880 -1.141 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.282 -4.340 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.544 -0.089 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.835 -4.470 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.092 -0.213 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 60 6.728 -3.220 -4.049 1.00 0.00 H new ATOM 890 N GLN A 61 6.232 -1.441 1.986 1.00 0.00 N ATOM 891 CA GLN A 61 7.291 -0.461 2.194 1.00 0.00 C ATOM 892 C GLN A 61 8.505 -0.780 1.328 1.00 0.00 C ATOM 893 O GLN A 61 9.200 -1.770 1.555 1.00 0.00 O ATOM 894 CB GLN A 61 7.698 -0.423 3.668 1.00 0.00 C ATOM 895 CG GLN A 61 8.594 0.752 4.022 1.00 0.00 C ATOM 896 CD GLN A 61 8.875 0.844 5.509 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.710 0.113 6.042 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.178 1.747 6.189 1.00 0.00 N ATOM 0 H GLN A 61 6.501 -2.237 1.408 1.00 0.00 H new ATOM 0 HA GLN A 61 6.908 0.517 1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.799 -0.382 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.213 -1.350 3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.537 0.660 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.124 1.677 3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.496 2.333 5.708 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.325 1.855 7.193 1.00 0.00 H new ATOM 907 N GLY A 62 8.755 0.066 0.333 1.00 0.00 N ATOM 908 CA GLY A 62 9.885 -0.143 -0.553 1.00 0.00 C ATOM 909 C GLY A 62 10.212 1.087 -1.376 1.00 0.00 C ATOM 910 O GLY A 62 10.180 2.208 -0.869 1.00 0.00 O ATOM 0 H GLY A 62 8.195 0.893 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.758 -0.424 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.669 -0.977 -1.221 1.00 0.00 H new ATOM 914 N SER A 63 10.530 0.877 -2.650 1.00 0.00 N ATOM 915 CA SER A 63 10.870 1.978 -3.544 1.00 0.00 C ATOM 916 C SER A 63 9.882 2.062 -4.703 1.00 0.00 C ATOM 917 O SER A 63 9.679 3.127 -5.283 1.00 0.00 O ATOM 918 CB SER A 63 12.292 1.805 -4.082 1.00 0.00 C ATOM 919 OG SER A 63 13.221 1.643 -3.024 1.00 0.00 O ATOM 0 H SER A 63 10.559 -0.045 -3.086 1.00 0.00 H new ATOM 0 HA SER A 63 10.815 2.906 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.332 0.938 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.566 2.674 -4.681 1.00 0.00 H new ATOM 0 HG SER A 63 14.122 1.533 -3.394 1.00 0.00 H new ATOM 925 N GLU A 64 9.270 0.929 -5.034 1.00 0.00 N ATOM 926 CA GLU A 64 8.304 0.873 -6.124 1.00 0.00 C ATOM 927 C GLU A 64 7.064 1.699 -5.795 1.00 0.00 C ATOM 928 O GLU A 64 6.997 2.351 -4.753 1.00 0.00 O ATOM 929 CB GLU A 64 7.904 -0.576 -6.408 1.00 0.00 C ATOM 930 CG GLU A 64 9.074 -1.465 -6.796 1.00 0.00 C ATOM 931 CD GLU A 64 10.011 -0.799 -7.785 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.887 -0.026 -7.345 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.866 -1.052 -9.000 1.00 0.00 O ATOM 0 H GLU A 64 9.426 0.038 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 64 8.774 1.293 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.421 -0.991 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.166 -0.590 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.632 -1.737 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.694 -2.391 -7.228 1.00 0.00 H new ATOM 940 N VAL A 65 6.083 1.666 -6.691 1.00 0.00 N ATOM 941 CA VAL A 65 4.844 2.410 -6.497 1.00 0.00 C ATOM 942 C VAL A 65 3.629 1.500 -6.637 1.00 0.00 C ATOM 943 O VAL A 65 2.497 1.973 -6.740 1.00 0.00 O ATOM 944 CB VAL A 65 4.723 3.570 -7.502 1.00 0.00 C ATOM 945 CG1 VAL A 65 5.946 4.471 -7.429 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.529 3.034 -8.913 1.00 0.00 C ATOM 0 H VAL A 65 6.122 1.132 -7.559 1.00 0.00 H new ATOM 0 HA VAL A 65 4.874 2.817 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 65 3.848 4.165 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.842 5.285 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.035 4.883 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.839 3.892 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.445 3.867 -9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.383 2.415 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.619 2.435 -8.953 1.00 0.00 H new ATOM 956 N GLU A 66 3.872 0.193 -6.641 1.00 0.00 N ATOM 957 CA GLU A 66 2.796 -0.782 -6.770 1.00 0.00 C ATOM 958 C GLU A 66 3.048 -1.992 -5.875 1.00 0.00 C ATOM 959 O GLU A 66 4.119 -2.600 -5.922 1.00 0.00 O ATOM 960 CB GLU A 66 2.656 -1.232 -8.226 1.00 0.00 C ATOM 961 CG GLU A 66 3.971 -1.648 -8.863 1.00 0.00 C ATOM 962 CD GLU A 66 4.800 -0.463 -9.319 1.00 0.00 C ATOM 963 OE1 GLU A 66 4.208 0.523 -9.806 1.00 0.00 O ATOM 964 OE2 GLU A 66 6.041 -0.522 -9.188 1.00 0.00 O ATOM 0 H GLU A 66 4.803 -0.214 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 66 1.869 -0.304 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.958 -2.068 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.221 -0.420 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.547 -2.236 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.768 -2.295 -9.717 1.00 0.00 H new ATOM 971 N CYS A 67 2.057 -2.335 -5.060 1.00 0.00 N ATOM 972 CA CYS A 67 2.171 -3.471 -4.153 1.00 0.00 C ATOM 973 C CYS A 67 0.900 -4.314 -4.174 1.00 0.00 C ATOM 974 O CYS A 67 -0.068 -3.981 -4.858 1.00 0.00 O ATOM 975 CB CYS A 67 2.453 -2.987 -2.730 1.00 0.00 C ATOM 976 SG CYS A 67 1.053 -2.160 -1.940 1.00 0.00 S ATOM 0 H CYS A 67 1.165 -1.842 -5.009 1.00 0.00 H new ATOM 0 HA CYS A 67 3.002 -4.091 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.749 -3.840 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.300 -2.302 -2.752 1.00 0.00 H new ATOM 0 HG CYS A 67 0.984 -0.930 -2.356 1.00 0.00 H new ATOM 982 N THR A 68 0.910 -5.410 -3.421 1.00 0.00 N ATOM 983 CA THR A 68 -0.240 -6.302 -3.355 1.00 0.00 C ATOM 984 C THR A 68 -0.537 -6.711 -1.917 1.00 0.00 C ATOM 985 O THR A 68 0.263 -7.393 -1.276 1.00 0.00 O ATOM 986 CB THR A 68 -0.017 -7.570 -4.201 1.00 0.00 C ATOM 987 OG1 THR A 68 0.163 -7.216 -5.576 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.194 -8.524 -4.067 1.00 0.00 C ATOM 0 H THR A 68 1.702 -5.701 -2.848 1.00 0.00 H new ATOM 0 HA THR A 68 -1.090 -5.751 -3.756 1.00 0.00 H new ATOM 0 HB THR A 68 0.879 -8.071 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.306 -8.027 -6.107 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.014 -9.412 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.310 -8.815 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.104 -8.030 -4.409 1.00 0.00 H new ATOM 996 N VAL A 69 -1.694 -6.290 -1.414 1.00 0.00 N ATOM 997 CA VAL A 69 -2.098 -6.614 -0.051 1.00 0.00 C ATOM 998 C VAL A 69 -2.736 -7.996 0.019 1.00 0.00 C ATOM 999 O VAL A 69 -3.161 -8.547 -0.996 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.090 -5.574 0.503 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.283 -5.764 2.000 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.610 -4.163 0.194 1.00 0.00 C ATOM 0 H VAL A 69 -2.367 -5.724 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.194 -6.603 0.558 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.054 -5.721 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.987 -5.020 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.674 -6.763 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.326 -5.645 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.323 -3.441 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.635 -4.002 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.528 -4.035 -0.885 1.00 0.00 H new ATOM 1012 N SER A 70 -2.800 -8.552 1.225 1.00 0.00 N ATOM 1013 CA SER A 70 -3.384 -9.873 1.428 1.00 0.00 C ATOM 1014 C SER A 70 -3.844 -10.047 2.873 1.00 0.00 C ATOM 1015 O SER A 70 -3.635 -9.172 3.712 1.00 0.00 O ATOM 1016 CB SER A 70 -2.372 -10.962 1.068 1.00 0.00 C ATOM 1017 OG SER A 70 -1.552 -11.283 2.177 1.00 0.00 O ATOM 0 H SER A 70 -2.455 -8.108 2.076 1.00 0.00 H new ATOM 0 HA SER A 70 -4.252 -9.964 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.899 -11.855 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.751 -10.625 0.238 1.00 0.00 H new ATOM 0 HG SER A 70 -0.915 -11.982 1.921 1.00 0.00 H new ATOM 1023 N SER A 71 -4.470 -11.185 3.154 1.00 0.00 N ATOM 1024 CA SER A 71 -4.963 -11.475 4.495 1.00 0.00 C ATOM 1025 C SER A 71 -6.158 -10.591 4.838 1.00 0.00 C ATOM 1026 O SER A 71 -6.400 -10.278 6.004 1.00 0.00 O ATOM 1027 CB SER A 71 -3.851 -11.270 5.526 1.00 0.00 C ATOM 1028 OG SER A 71 -4.167 -11.908 6.751 1.00 0.00 O ATOM 0 H SER A 71 -4.648 -11.921 2.471 1.00 0.00 H new ATOM 0 HA SER A 71 -5.284 -12.516 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.913 -11.666 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.700 -10.204 5.696 1.00 0.00 H new ATOM 0 HG SER A 71 -5.036 -11.588 7.072 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.903 -10.191 3.813 1.00 0.00 N ATOM 1035 CA LEU A 72 -8.074 -9.342 4.003 1.00 0.00 C ATOM 1036 C LEU A 72 -9.359 -10.157 3.902 1.00 0.00 C ATOM 1037 O LEU A 72 -9.325 -11.360 3.641 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.087 -8.217 2.966 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.724 -7.636 2.589 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.872 -6.595 1.491 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.044 -7.034 3.810 1.00 0.00 C ATOM 0 H LEU A 72 -6.717 -10.441 2.842 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.019 -8.907 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.563 -8.591 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.712 -7.408 3.344 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.098 -8.445 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.891 -6.193 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.315 -7.057 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.516 -5.787 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.075 -6.625 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.667 -6.238 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.902 -7.807 4.565 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.492 -9.494 4.107 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.790 -10.156 4.037 1.00 0.00 C ATOM 1055 C LEU A 73 -12.569 -9.697 2.809 1.00 0.00 C ATOM 1056 O LEU A 73 -12.624 -8.510 2.486 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.599 -9.872 5.304 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.910 -10.202 6.628 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.692 -9.623 7.797 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.750 -11.707 6.786 1.00 0.00 C ATOM 0 H LEU A 73 -10.538 -8.498 4.323 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.619 -11.229 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.867 -8.816 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.530 -10.437 5.251 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.918 -9.749 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.186 -9.868 8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.755 -8.540 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.697 -10.045 7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.258 -11.923 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.731 -12.181 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.146 -12.097 5.967 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.189 -10.658 2.108 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.979 -10.377 0.906 1.00 0.00 C ATOM 1074 C PRO A 74 -15.274 -9.637 1.224 1.00 0.00 C ATOM 1075 O PRO A 74 -15.779 -9.702 2.344 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.282 -11.769 0.346 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.215 -12.675 1.527 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.166 -12.094 2.435 1.00 0.00 C ATOM 0 HA PRO A 74 -13.445 -9.730 0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.265 -11.802 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.556 -12.056 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.180 -12.731 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.953 -13.689 1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.400 -12.271 3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.186 -12.533 2.249 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.808 -8.933 0.230 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.040 -8.192 0.424 1.00 0.00 C ATOM 1088 C GLY A 75 -16.930 -7.165 1.534 1.00 0.00 C ATOM 1089 O GLY A 75 -17.925 -6.820 2.172 1.00 0.00 O ATOM 0 H GLY A 75 -15.409 -8.863 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.309 -7.690 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.846 -8.888 0.656 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.717 -6.677 1.768 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.479 -5.684 2.809 1.00 0.00 C ATOM 1095 C LYS A 76 -14.615 -4.542 2.284 1.00 0.00 C ATOM 1096 O LYS A 76 -13.733 -4.748 1.449 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.804 -6.335 4.018 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.727 -7.238 4.818 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.669 -6.434 5.697 1.00 0.00 C ATOM 1100 CE LYS A 76 -16.027 -6.089 7.032 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.145 -7.206 8.010 1.00 0.00 N ATOM 0 H LYS A 76 -14.883 -6.953 1.250 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.442 -5.276 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.948 -6.916 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.418 -5.553 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.306 -7.862 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.133 -7.909 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.955 -5.517 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.583 -7.002 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.975 -5.851 6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.499 -5.196 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.695 -6.931 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.150 -7.417 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.672 -8.051 7.630 1.00 0.00 H new ATOM 1115 N THR A 77 -14.872 -3.335 2.779 1.00 0.00 N ATOM 1116 CA THR A 77 -14.118 -2.160 2.361 1.00 0.00 C ATOM 1117 C THR A 77 -12.898 -1.945 3.249 1.00 0.00 C ATOM 1118 O THR A 77 -12.858 -2.410 4.388 1.00 0.00 O ATOM 1119 CB THR A 77 -14.991 -0.892 2.391 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.128 -1.059 1.536 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.193 0.326 1.950 1.00 0.00 C ATOM 0 H THR A 77 -15.597 -3.146 3.471 1.00 0.00 H new ATOM 0 HA THR A 77 -13.791 -2.342 1.337 1.00 0.00 H new ATOM 0 HB THR A 77 -15.328 -0.734 3.416 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.679 -0.249 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.831 1.209 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.346 0.468 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.830 0.175 0.933 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.905 -1.237 2.721 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.683 -0.962 3.466 1.00 0.00 C ATOM 1131 C TYR A 78 -10.044 0.343 3.002 1.00 0.00 C ATOM 1132 O TYR A 78 -9.802 0.540 1.811 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.690 -2.115 3.303 1.00 0.00 C ATOM 1134 CG TYR A 78 -10.035 -3.332 4.131 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -11.094 -4.160 3.778 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.301 -3.656 5.265 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.413 -5.272 4.531 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.612 -4.767 6.024 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.669 -5.572 5.653 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.982 -6.681 6.406 1.00 0.00 O ATOM 0 H TYR A 78 -11.923 -0.844 1.780 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.945 -0.863 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.647 -2.401 2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.694 -1.768 3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.678 -3.929 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.473 -3.028 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.240 -5.904 4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.031 -5.004 6.903 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.361 -6.750 7.161 1.00 0.00 H new ATOM 1150 N SER A 79 -9.773 1.233 3.952 1.00 0.00 N ATOM 1151 CA SER A 79 -9.165 2.522 3.641 1.00 0.00 C ATOM 1152 C SER A 79 -7.655 2.384 3.473 1.00 0.00 C ATOM 1153 O SER A 79 -6.951 1.975 4.397 1.00 0.00 O ATOM 1154 CB SER A 79 -9.477 3.535 4.744 1.00 0.00 C ATOM 1155 OG SER A 79 -8.557 3.422 5.816 1.00 0.00 O ATOM 0 H SER A 79 -9.965 1.085 4.943 1.00 0.00 H new ATOM 0 HA SER A 79 -9.586 2.878 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.441 4.545 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.490 3.376 5.112 1.00 0.00 H new ATOM 0 HG SER A 79 -8.004 2.623 5.689 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.164 2.727 2.287 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.738 2.641 1.996 1.00 0.00 C ATOM 1163 C PHE A 80 -5.122 4.032 1.879 1.00 0.00 C ATOM 1164 O PHE A 80 -5.781 4.981 1.453 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.506 1.858 0.702 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.909 0.414 0.795 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.230 0.037 0.619 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.965 -0.566 1.059 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.603 -1.291 0.705 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.332 -1.896 1.145 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.653 -2.259 0.967 1.00 0.00 C ATOM 0 H PHE A 80 -7.733 3.067 1.512 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.255 2.117 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.065 2.332 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.451 1.916 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.977 0.789 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.931 -0.287 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.637 -1.572 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.587 -2.650 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.942 -3.297 1.033 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.854 4.146 2.262 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.149 5.420 2.202 1.00 0.00 C ATOM 1183 C ARG A 81 -1.786 5.257 1.537 1.00 0.00 C ATOM 1184 O ARG A 81 -1.446 4.177 1.051 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.977 5.999 3.608 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.088 5.607 4.568 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.331 6.688 5.609 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.373 6.613 6.710 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.421 7.398 7.780 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.375 8.312 7.894 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.514 7.270 8.739 1.00 0.00 N ATOM 0 H ARG A 81 -3.294 3.371 2.617 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.746 6.108 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.022 5.666 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.933 7.086 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.006 5.425 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.828 4.673 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.264 7.668 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.343 6.592 6.002 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.627 5.920 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.075 8.413 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.409 8.913 8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.779 6.568 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.552 7.873 9.560 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.009 6.334 1.519 1.00 0.00 N ATOM 1206 CA LEU A 82 0.318 6.311 0.913 1.00 0.00 C ATOM 1207 C LEU A 82 1.186 7.439 1.461 1.00 0.00 C ATOM 1208 O LEU A 82 0.700 8.540 1.720 1.00 0.00 O ATOM 1209 CB LEU A 82 0.207 6.430 -0.608 1.00 0.00 C ATOM 1210 CG LEU A 82 1.508 6.729 -1.354 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.439 5.527 -1.308 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.218 7.126 -2.794 1.00 0.00 C ATOM 0 H LEU A 82 -1.275 7.235 1.917 1.00 0.00 H new ATOM 0 HA LEU A 82 0.789 5.361 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.205 5.499 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.510 7.217 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 82 2.003 7.565 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.359 5.759 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.674 5.288 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.952 4.672 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.155 7.335 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.700 6.311 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.590 8.017 -2.806 1.00 0.00 H new ATOM 1224 N ARG A 83 2.474 7.157 1.632 1.00 0.00 N ATOM 1225 CA ARG A 83 3.410 8.148 2.148 1.00 0.00 C ATOM 1226 C ARG A 83 4.815 7.903 1.605 1.00 0.00 C ATOM 1227 O ARG A 83 5.306 6.774 1.612 1.00 0.00 O ATOM 1228 CB ARG A 83 3.430 8.115 3.677 1.00 0.00 C ATOM 1229 CG ARG A 83 4.096 6.875 4.251 1.00 0.00 C ATOM 1230 CD ARG A 83 4.239 6.969 5.762 1.00 0.00 C ATOM 1231 NE ARG A 83 4.705 5.714 6.346 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.316 5.633 7.523 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.534 6.729 8.237 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.710 4.455 7.988 1.00 0.00 N ATOM 0 H ARG A 83 2.892 6.251 1.421 1.00 0.00 H new ATOM 0 HA ARG A 83 3.077 9.132 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.950 9.000 4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.406 8.171 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.509 5.993 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.079 6.746 3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.939 7.767 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.279 7.239 6.201 1.00 0.00 H new ATOM 0 HE ARG A 83 4.553 4.853 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.232 7.637 7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.003 6.664 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.544 3.610 7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.179 4.394 8.892 1.00 0.00 H new ATOM 1248 N ALA A 84 5.457 8.968 1.135 1.00 0.00 N ATOM 1249 CA ALA A 84 6.805 8.868 0.590 1.00 0.00 C ATOM 1250 C ALA A 84 7.849 9.244 1.636 1.00 0.00 C ATOM 1251 O ALA A 84 7.546 9.933 2.609 1.00 0.00 O ATOM 1252 CB ALA A 84 6.944 9.754 -0.640 1.00 0.00 C ATOM 0 H ALA A 84 5.065 9.910 1.121 1.00 0.00 H new ATOM 0 HA ALA A 84 6.977 7.832 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.956 9.670 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.229 9.437 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.747 10.790 -0.366 1.00 0.00 H new ATOM 1258 N ALA A 85 9.079 8.785 1.428 1.00 0.00 N ATOM 1259 CA ALA A 85 10.168 9.075 2.353 1.00 0.00 C ATOM 1260 C ALA A 85 11.431 9.485 1.603 1.00 0.00 C ATOM 1261 O ALA A 85 11.746 8.932 0.551 1.00 0.00 O ATOM 1262 CB ALA A 85 10.446 7.867 3.236 1.00 0.00 C ATOM 0 H ALA A 85 9.346 8.211 0.628 1.00 0.00 H new ATOM 0 HA ALA A 85 9.863 9.910 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.261 8.097 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.551 7.620 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.725 7.017 2.613 1.00 0.00 H new ATOM 1268 N ASN A 86 12.149 10.459 2.152 1.00 0.00 N ATOM 1269 CA ASN A 86 13.377 10.945 1.533 1.00 0.00 C ATOM 1270 C ASN A 86 14.490 11.081 2.568 1.00 0.00 C ATOM 1271 O ASN A 86 14.324 10.706 3.729 1.00 0.00 O ATOM 1272 CB ASN A 86 13.131 12.293 0.852 1.00 0.00 C ATOM 1273 CG ASN A 86 12.470 13.296 1.777 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.413 13.095 2.990 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.966 14.384 1.206 1.00 0.00 N ATOM 0 H ASN A 86 11.902 10.927 3.024 1.00 0.00 H new ATOM 0 HA ASN A 86 13.689 10.218 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.080 12.698 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.503 12.144 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.509 15.095 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.036 14.509 0.196 1.00 0.00 H new ATOM 1282 N LYS A 87 15.626 11.621 2.139 1.00 0.00 N ATOM 1283 CA LYS A 87 16.767 11.809 3.027 1.00 0.00 C ATOM 1284 C LYS A 87 16.341 12.487 4.325 1.00 0.00 C ATOM 1285 O LYS A 87 17.053 12.432 5.327 1.00 0.00 O ATOM 1286 CB LYS A 87 17.846 12.645 2.334 1.00 0.00 C ATOM 1287 CG LYS A 87 17.320 13.931 1.721 1.00 0.00 C ATOM 1288 CD LYS A 87 18.421 14.967 1.569 1.00 0.00 C ATOM 1289 CE LYS A 87 17.891 16.378 1.780 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.634 17.377 0.962 1.00 0.00 N ATOM 0 H LYS A 87 15.781 11.936 1.181 1.00 0.00 H new ATOM 0 HA LYS A 87 17.174 10.827 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.625 12.889 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.313 12.045 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.882 13.718 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.524 14.334 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.215 14.764 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.862 14.888 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.833 16.411 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.969 16.642 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.454 18.332 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.653 17.174 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.314 17.323 -0.026 1.00 0.00 H new ATOM 1304 N MET A 88 15.175 13.123 4.299 1.00 0.00 N ATOM 1305 CA MET A 88 14.653 13.809 5.476 1.00 0.00 C ATOM 1306 C MET A 88 13.848 12.852 6.350 1.00 0.00 C ATOM 1307 O MET A 88 14.082 12.750 7.554 1.00 0.00 O ATOM 1308 CB MET A 88 13.779 14.993 5.057 1.00 0.00 C ATOM 1309 CG MET A 88 14.519 16.032 4.231 1.00 0.00 C ATOM 1310 SD MET A 88 15.776 16.909 5.182 1.00 0.00 S ATOM 1311 CE MET A 88 17.192 15.840 4.937 1.00 0.00 C ATOM 0 H MET A 88 14.574 13.178 3.477 1.00 0.00 H new ATOM 0 HA MET A 88 15.499 14.179 6.056 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.930 14.622 4.483 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.376 15.471 5.950 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.989 15.544 3.377 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.803 16.751 3.833 1.00 0.00 H new ATOM 0 HE1 MET A 88 18.060 16.442 4.669 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.399 15.294 5.857 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.980 15.133 4.135 1.00 0.00 H new ATOM 1321 N GLY A 89 12.898 12.153 5.736 1.00 0.00 N ATOM 1322 CA GLY A 89 12.073 11.215 6.474 1.00 0.00 C ATOM 1323 C GLY A 89 10.737 10.966 5.804 1.00 0.00 C ATOM 1324 O GLY A 89 10.500 11.422 4.686 1.00 0.00 O ATOM 0 H GLY A 89 12.685 12.220 4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.606 10.270 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.905 11.597 7.481 1.00 0.00 H new ATOM 1328 N PHE A 90 9.860 10.239 6.489 1.00 0.00 N ATOM 1329 CA PHE A 90 8.540 9.928 5.952 1.00 0.00 C ATOM 1330 C PHE A 90 7.579 11.094 6.162 1.00 0.00 C ATOM 1331 O PHE A 90 7.570 11.723 7.219 1.00 0.00 O ATOM 1332 CB PHE A 90 7.981 8.666 6.614 1.00 0.00 C ATOM 1333 CG PHE A 90 8.361 7.398 5.904 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.764 7.057 4.701 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.315 6.547 6.439 1.00 0.00 C ATOM 1336 CE1 PHE A 90 8.111 5.891 4.044 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.666 5.381 5.787 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.063 5.051 4.589 1.00 0.00 C ATOM 0 H PHE A 90 10.039 9.854 7.417 1.00 0.00 H new ATOM 0 HA PHE A 90 8.643 9.753 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.337 8.617 7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.894 8.738 6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.019 7.710 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.789 6.798 7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.639 5.637 3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.412 4.727 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.335 4.138 4.079 1.00 0.00 H new ATOM 1348 N GLY A 91 6.770 11.376 5.145 1.00 0.00 N ATOM 1349 CA GLY A 91 5.816 12.466 5.237 1.00 0.00 C ATOM 1350 C GLY A 91 4.422 11.989 5.592 1.00 0.00 C ATOM 1351 O GLY A 91 4.217 10.839 5.981 1.00 0.00 O ATOM 0 H GLY A 91 6.758 10.869 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.155 13.179 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.783 12.997 4.286 1.00 0.00 H new ATOM 1355 N PRO A 92 3.433 12.885 5.459 1.00 0.00 N ATOM 1356 CA PRO A 92 2.034 12.572 5.765 1.00 0.00 C ATOM 1357 C PRO A 92 1.423 11.604 4.757 1.00 0.00 C ATOM 1358 O PRO A 92 1.798 11.595 3.584 1.00 0.00 O ATOM 1359 CB PRO A 92 1.340 13.934 5.685 1.00 0.00 C ATOM 1360 CG PRO A 92 2.195 14.742 4.770 1.00 0.00 C ATOM 1361 CD PRO A 92 3.605 14.274 5.000 1.00 0.00 C ATOM 0 HA PRO A 92 1.929 12.080 6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.325 13.839 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.264 14.398 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.900 14.597 3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.097 15.806 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.199 14.325 4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.114 14.884 5.746 1.00 0.00 H new ATOM 1369 N PHE A 93 0.481 10.791 5.222 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.182 9.818 4.361 1.00 0.00 C ATOM 1371 C PHE A 93 -1.148 10.508 3.404 1.00 0.00 C ATOM 1372 O PHE A 93 -1.584 11.633 3.648 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.932 8.786 5.205 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.103 7.585 5.561 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.319 6.703 4.580 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.254 7.338 6.877 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.082 5.597 4.904 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.017 6.235 7.207 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.431 5.362 6.220 1.00 0.00 C ATOM 0 H PHE A 93 0.159 10.786 6.190 1.00 0.00 H new ATOM 0 HA PHE A 93 0.583 9.310 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.280 9.262 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.817 8.458 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.049 6.882 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.068 8.016 7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.405 4.917 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.290 6.055 8.236 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.026 4.498 6.476 1.00 0.00 H new ATOM 1389 N SER A 94 -1.479 9.826 2.312 1.00 0.00 N ATOM 1390 CA SER A 94 -2.391 10.374 1.314 1.00 0.00 C ATOM 1391 C SER A 94 -3.835 10.302 1.800 1.00 0.00 C ATOM 1392 O SER A 94 -4.099 9.918 2.939 1.00 0.00 O ATOM 1393 CB SER A 94 -2.247 9.619 -0.008 1.00 0.00 C ATOM 1394 OG SER A 94 -2.619 8.259 0.138 1.00 0.00 O ATOM 0 H SER A 94 -1.129 8.893 2.096 1.00 0.00 H new ATOM 0 HA SER A 94 -2.131 11.421 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.869 10.090 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.216 9.682 -0.356 1.00 0.00 H new ATOM 0 HG SER A 94 -3.596 8.183 0.114 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.766 10.673 0.927 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.184 10.651 1.267 1.00 0.00 C ATOM 1402 C GLU A 95 -6.702 9.218 1.347 1.00 0.00 C ATOM 1403 O GLU A 95 -6.452 8.405 0.457 1.00 0.00 O ATOM 1404 CB GLU A 95 -6.991 11.441 0.235 1.00 0.00 C ATOM 1405 CG GLU A 95 -7.022 12.937 0.500 1.00 0.00 C ATOM 1406 CD GLU A 95 -8.217 13.357 1.333 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -9.201 12.589 1.388 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.170 14.453 1.930 1.00 0.00 O ATOM 0 H GLU A 95 -4.564 10.992 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.304 11.117 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.570 11.265 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.013 11.062 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.106 13.231 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.041 13.470 -0.450 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.426 8.916 2.419 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.981 7.582 2.617 1.00 0.00 C ATOM 1417 C LYS A 96 -8.806 7.152 1.409 1.00 0.00 C ATOM 1418 O LYS A 96 -9.744 7.842 1.008 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.848 7.550 3.878 1.00 0.00 C ATOM 1420 CG LYS A 96 -8.092 7.910 5.145 1.00 0.00 C ATOM 1421 CD LYS A 96 -9.011 7.929 6.356 1.00 0.00 C ATOM 1422 CE LYS A 96 -9.905 9.159 6.357 1.00 0.00 C ATOM 1423 NZ LYS A 96 -11.070 8.996 7.270 1.00 0.00 N ATOM 0 H LYS A 96 -7.642 9.577 3.165 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.152 6.884 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.681 8.241 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.275 6.553 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.289 7.191 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.625 8.888 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.627 7.030 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.414 7.911 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.324 10.030 6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.261 9.350 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.655 9.855 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.638 8.180 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.731 8.839 8.241 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.452 6.008 0.834 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.161 5.485 -0.329 1.00 0.00 C ATOM 1439 C CYS A 97 -9.854 4.168 0.004 1.00 0.00 C ATOM 1440 O CYS A 97 -9.225 3.110 0.016 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.192 5.285 -1.496 1.00 0.00 C ATOM 1442 SG CYS A 97 -8.977 4.692 -3.013 1.00 0.00 S ATOM 0 H CYS A 97 -7.679 5.425 1.154 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.921 6.211 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.691 6.230 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.421 4.575 -1.197 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.078 4.556 -3.942 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.153 4.240 0.274 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.932 3.054 0.608 1.00 0.00 C ATOM 1450 C ASP A 98 -12.037 2.117 -0.592 1.00 0.00 C ATOM 1451 O ASP A 98 -12.574 2.489 -1.636 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.330 3.452 1.083 1.00 0.00 C ATOM 1453 CG ASP A 98 -13.395 3.654 2.585 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -12.991 2.732 3.325 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -13.848 4.733 3.019 1.00 0.00 O ATOM 0 H ASP A 98 -11.689 5.108 0.268 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.419 2.528 1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.633 4.372 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.043 2.681 0.792 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.520 0.903 -0.436 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.557 -0.085 -1.507 1.00 0.00 C ATOM 1462 C ILE A 99 -12.346 -1.321 -1.088 1.00 0.00 C ATOM 1463 O ILE A 99 -12.077 -1.920 -0.046 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.138 -0.514 -1.925 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.435 0.624 -2.668 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.196 -1.763 -2.792 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -7.942 0.428 -2.801 1.00 0.00 C ATOM 0 H ILE A 99 -11.071 0.580 0.421 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.051 0.388 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.565 -0.745 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.870 0.721 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.625 1.561 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.186 -2.054 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.661 -2.574 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.783 -1.558 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.511 1.273 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.494 0.361 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.743 -0.492 -3.352 1.00 0.00 H new ATOM 1479 N THR A 100 -13.322 -1.699 -1.908 1.00 0.00 N ATOM 1480 CA THR A 100 -14.151 -2.863 -1.623 1.00 0.00 C ATOM 1481 C THR A 100 -13.611 -4.106 -2.321 1.00 0.00 C ATOM 1482 O THR A 100 -13.568 -4.172 -3.550 1.00 0.00 O ATOM 1483 CB THR A 100 -15.610 -2.635 -2.062 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.076 -1.372 -1.575 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.510 -3.747 -1.545 1.00 0.00 C ATOM 0 H THR A 100 -13.557 -1.216 -2.775 1.00 0.00 H new ATOM 0 HA THR A 100 -14.124 -3.014 -0.544 1.00 0.00 H new ATOM 0 HB THR A 100 -15.644 -2.639 -3.151 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.057 -1.372 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.535 -3.565 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.170 -4.704 -1.941 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.471 -3.770 -0.456 1.00 0.00 H new ATOM 1493 N THR A 101 -13.199 -5.092 -1.530 1.00 0.00 N ATOM 1494 CA THR A 101 -12.662 -6.333 -2.072 1.00 0.00 C ATOM 1495 C THR A 101 -13.721 -7.093 -2.863 1.00 0.00 C ATOM 1496 O THR A 101 -14.873 -6.667 -2.943 1.00 0.00 O ATOM 1497 CB THR A 101 -12.119 -7.246 -0.956 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.139 -7.485 0.020 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.906 -6.618 -0.286 1.00 0.00 C ATOM 0 H THR A 101 -13.227 -5.054 -0.511 1.00 0.00 H new ATOM 0 HA THR A 101 -11.844 -6.058 -2.737 1.00 0.00 H new ATOM 0 HB THR A 101 -11.817 -8.192 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.732 -7.841 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.540 -7.280 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.121 -6.463 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.187 -5.659 0.150 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.324 -8.219 -3.446 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.240 -9.039 -4.228 1.00 0.00 C ATOM 1509 C ALA A 102 -15.111 -9.905 -3.324 1.00 0.00 C ATOM 1510 O ALA A 102 -14.711 -10.297 -2.228 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.466 -9.908 -5.208 1.00 0.00 C ATOM 0 H ALA A 102 -12.373 -8.584 -3.391 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.895 -8.373 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.163 -10.515 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.893 -9.273 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.787 -10.560 -4.658 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.331 -10.210 -3.791 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.283 -11.032 -3.040 1.00 0.00 C ATOM 1519 C PRO A 103 -16.845 -12.490 -2.950 1.00 0.00 C ATOM 1520 O PRO A 103 -17.557 -13.329 -2.400 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.575 -10.911 -3.852 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.123 -10.599 -5.237 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.873 -9.776 -5.089 1.00 0.00 C ATOM 0 HA PRO A 103 -17.381 -10.700 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.150 -11.837 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.218 -10.124 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.925 -11.512 -5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.890 -10.050 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.170 -9.963 -5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.092 -8.708 -5.096 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.669 -12.785 -3.494 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.156 -14.142 -3.464 1.00 0.00 C ATOM 1533 C GLY A 104 -15.682 -14.986 -4.609 1.00 0.00 C ATOM 1534 O GLY A 104 -16.054 -16.143 -4.417 1.00 0.00 O ATOM 0 H GLY A 104 -15.062 -12.108 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.067 -14.117 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.428 -14.609 -2.517 1.00 0.00 H new