USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 31 CYS SG : rot 140:sc= 0.697 USER MOD Set 1.2: A 33 HIS : no HE2:sc= 0.688 K(o=1.4,f=-5.2!) USER MOD Set 2.1: A 5 TYR OH : rot 70:sc= 0.485 USER MOD Set 2.2: A 34 CYS SG : rot 100:sc= 0.117 USER MOD Single : A 6 SER OG : rot 46:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.234 USER MOD Single : A 28 THR OG1 : rot 152:sc= 0.534 USER MOD Single : A 35 GLN : amide:sc= 1.02 K(o=1,f=-0.025) USER MOD Single : A 38 GLN : amide:sc= 0.863 K(o=0.86,f=-0.19) USER MOD Single : A 46 SER OG : rot 78:sc= 0.603 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0117 USER MOD Single : A 53 HIS : no HE2:sc= -0.813 K(o=-0.81,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.715 X(o=-0.72,f=-0.28) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 107:sc= 1.26 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.412 -2.812 6.440 1.00 0.00 N ATOM 70 CA TYR A 5 8.704 -3.823 5.647 1.00 0.00 C ATOM 71 C TYR A 5 8.659 -5.218 6.305 1.00 0.00 C ATOM 72 O TYR A 5 9.504 -5.557 7.137 1.00 0.00 O ATOM 73 CB TYR A 5 9.321 -3.893 4.241 1.00 0.00 C ATOM 74 CG TYR A 5 8.655 -2.973 3.238 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.816 -1.574 3.313 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.813 -3.531 2.260 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.180 -0.741 2.375 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.182 -2.705 1.314 1.00 0.00 C ATOM 79 CZ TYR A 5 7.402 -1.312 1.344 1.00 0.00 C ATOM 80 OH TYR A 5 6.872 -0.534 0.365 1.00 0.00 O ATOM 0 HA TYR A 5 7.663 -3.506 5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.379 -3.641 4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.259 -4.919 3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.428 -1.142 4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.650 -4.598 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.286 0.332 2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.531 -3.135 0.567 1.00 0.00 H new ATOM 0 HH TYR A 5 7.590 -0.199 -0.212 1.00 0.00 H new ATOM 89 N SER A 6 7.671 -6.030 5.917 1.00 0.00 N ATOM 90 CA SER A 6 7.463 -7.399 6.411 1.00 0.00 C ATOM 91 C SER A 6 7.399 -8.434 5.275 1.00 0.00 C ATOM 92 O SER A 6 6.623 -8.304 4.326 1.00 0.00 O ATOM 93 CB SER A 6 6.164 -7.442 7.229 1.00 0.00 C ATOM 94 OG SER A 6 5.827 -8.745 7.696 1.00 0.00 O ATOM 0 H SER A 6 6.972 -5.747 5.230 1.00 0.00 H new ATOM 0 HA SER A 6 8.319 -7.663 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.260 -6.772 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.346 -7.062 6.617 1.00 0.00 H new ATOM 0 HG SER A 6 6.623 -9.172 8.076 1.00 0.00 H new ATOM 99 N ALA A 7 8.204 -9.491 5.393 1.00 0.00 N ATOM 100 CA ALA A 7 8.189 -10.650 4.498 1.00 0.00 C ATOM 101 C ALA A 7 7.057 -11.638 4.837 1.00 0.00 C ATOM 102 O ALA A 7 6.616 -12.407 3.980 1.00 0.00 O ATOM 103 CB ALA A 7 9.563 -11.320 4.645 1.00 0.00 C ATOM 0 H ALA A 7 8.902 -9.567 6.132 1.00 0.00 H new ATOM 0 HA ALA A 7 8.001 -10.333 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.612 -12.196 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.344 -10.615 4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.710 -11.626 5.681 1.00 0.00 H new ATOM 109 N GLU A 8 6.578 -11.609 6.082 1.00 0.00 N ATOM 110 CA GLU A 8 5.646 -12.548 6.708 1.00 0.00 C ATOM 111 C GLU A 8 4.175 -12.315 6.299 1.00 0.00 C ATOM 112 O GLU A 8 3.247 -12.698 7.019 1.00 0.00 O ATOM 113 CB GLU A 8 5.818 -12.492 8.241 1.00 0.00 C ATOM 114 CG GLU A 8 7.278 -12.609 8.719 1.00 0.00 C ATOM 115 CD GLU A 8 7.931 -11.253 9.050 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.894 -10.335 8.197 1.00 0.00 O ATOM 117 OE2 GLU A 8 8.500 -11.107 10.158 1.00 0.00 O ATOM 0 H GLU A 8 6.854 -10.870 6.729 1.00 0.00 H new ATOM 0 HA GLU A 8 5.892 -13.546 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.402 -11.554 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.235 -13.296 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.312 -13.244 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.865 -13.106 7.947 1.00 0.00 H new ATOM 122 N ALA A 9 3.955 -11.681 5.148 1.00 0.00 N ATOM 123 CA ALA A 9 2.645 -11.282 4.638 1.00 0.00 C ATOM 124 C ALA A 9 1.713 -12.480 4.340 1.00 0.00 C ATOM 125 O ALA A 9 2.207 -13.580 4.060 1.00 0.00 O ATOM 126 CB ALA A 9 2.852 -10.434 3.374 1.00 0.00 C ATOM 0 H ALA A 9 4.716 -11.421 4.520 1.00 0.00 H new ATOM 0 HA ALA A 9 2.145 -10.704 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.884 -10.127 2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.440 -9.550 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.380 -11.022 2.623 1.00 0.00 H new ATOM 132 N PRO A 10 0.381 -12.262 4.337 1.00 0.00 N ATOM 133 CA PRO A 10 -0.616 -13.270 3.972 1.00 0.00 C ATOM 134 C PRO A 10 -0.566 -13.624 2.485 1.00 0.00 C ATOM 135 O PRO A 10 -0.076 -12.855 1.654 1.00 0.00 O ATOM 136 CB PRO A 10 -1.971 -12.647 4.330 1.00 0.00 C ATOM 137 CG PRO A 10 -1.712 -11.151 4.173 1.00 0.00 C ATOM 138 CD PRO A 10 -0.292 -11.019 4.701 1.00 0.00 C ATOM 0 HA PRO A 10 -0.432 -14.205 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.762 -12.992 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.276 -12.900 5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.793 -10.830 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.418 -10.552 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.211 -10.158 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.288 -10.873 5.781 1.00 0.00 H new ATOM 143 N ALA A 11 -1.158 -14.773 2.149 1.00 0.00 N ATOM 144 CA ALA A 11 -1.509 -15.127 0.776 1.00 0.00 C ATOM 145 C ALA A 11 -2.769 -14.359 0.322 1.00 0.00 C ATOM 146 O ALA A 11 -3.588 -13.943 1.153 1.00 0.00 O ATOM 147 CB ALA A 11 -1.702 -16.649 0.695 1.00 0.00 C ATOM 0 H ALA A 11 -1.409 -15.489 2.831 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.706 -14.840 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.965 -16.929 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.777 -17.149 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.502 -16.951 1.371 1.00 0.00 H new ATOM 153 N ARG A 12 -2.967 -14.207 -0.996 1.00 0.00 N ATOM 154 CA ARG A 12 -4.049 -13.388 -1.564 1.00 0.00 C ATOM 155 C ARG A 12 -5.455 -13.864 -1.160 1.00 0.00 C ATOM 156 O ARG A 12 -6.363 -13.034 -1.061 1.00 0.00 O ATOM 157 CB ARG A 12 -3.885 -13.325 -3.093 1.00 0.00 C ATOM 158 CG ARG A 12 -4.906 -12.433 -3.817 1.00 0.00 C ATOM 159 CD ARG A 12 -4.930 -10.981 -3.311 1.00 0.00 C ATOM 160 NE ARG A 12 -6.014 -10.205 -3.931 1.00 0.00 N ATOM 161 CZ ARG A 12 -7.304 -10.233 -3.599 1.00 0.00 C ATOM 162 NH1 ARG A 12 -7.793 -11.011 -2.657 1.00 0.00 N ATOM 163 NH2 ARG A 12 -8.150 -9.460 -4.246 1.00 0.00 N ATOM 0 H ARG A 12 -2.379 -14.651 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.962 -12.385 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.882 -12.964 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.959 -14.336 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.682 -12.433 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.900 -12.865 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.052 -10.975 -2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.973 -10.505 -3.526 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.751 -9.581 -4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.174 -11.635 -2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.791 -10.990 -2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.815 -8.849 -4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.140 -9.471 -4.002 1.00 0.00 H new ATOM 174 N ASP A 13 -5.637 -15.163 -0.913 1.00 0.00 N ATOM 175 CA ASP A 13 -6.907 -15.734 -0.438 1.00 0.00 C ATOM 176 C ASP A 13 -7.110 -15.561 1.079 1.00 0.00 C ATOM 177 O ASP A 13 -8.243 -15.429 1.535 1.00 0.00 O ATOM 178 CB ASP A 13 -6.961 -17.222 -0.820 1.00 0.00 C ATOM 179 CG ASP A 13 -8.369 -17.803 -0.637 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.284 -17.415 -1.400 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.576 -18.633 0.275 1.00 0.00 O ATOM 0 H ASP A 13 -4.901 -15.858 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.719 -15.189 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.649 -17.343 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.254 -17.781 -0.207 1.00 0.00 H new ATOM 185 N GLU A 14 -6.039 -15.514 1.876 1.00 0.00 N ATOM 186 CA GLU A 14 -6.123 -15.256 3.320 1.00 0.00 C ATOM 187 C GLU A 14 -6.410 -13.767 3.591 1.00 0.00 C ATOM 188 O GLU A 14 -7.224 -13.423 4.452 1.00 0.00 O ATOM 189 CB GLU A 14 -4.816 -15.714 3.988 1.00 0.00 C ATOM 190 CG GLU A 14 -4.923 -15.774 5.516 1.00 0.00 C ATOM 191 CD GLU A 14 -5.894 -16.859 6.009 1.00 0.00 C ATOM 192 OE1 GLU A 14 -5.626 -18.063 5.780 1.00 0.00 O ATOM 193 OE2 GLU A 14 -6.911 -16.529 6.657 1.00 0.00 O ATOM 0 H GLU A 14 -5.086 -15.654 1.539 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.951 -15.822 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.544 -16.699 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.012 -15.032 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.935 -15.960 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.251 -14.804 5.890 1.00 0.00 H new ATOM 198 N LEU A 15 -5.793 -12.885 2.796 1.00 0.00 N ATOM 199 CA LEU A 15 -6.060 -11.447 2.744 1.00 0.00 C ATOM 200 C LEU A 15 -7.525 -11.143 2.413 1.00 0.00 C ATOM 201 O LEU A 15 -8.094 -10.210 2.971 1.00 0.00 O ATOM 202 CB LEU A 15 -5.072 -10.863 1.711 1.00 0.00 C ATOM 203 CG LEU A 15 -5.275 -9.401 1.252 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.953 -8.908 0.647 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.366 -9.263 0.169 1.00 0.00 C ATOM 0 H LEU A 15 -5.062 -13.169 2.144 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.907 -10.982 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.068 -10.945 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.103 -11.497 0.825 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.585 -8.819 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.068 -7.877 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.166 -8.961 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.685 -9.536 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.466 -8.216 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.087 -9.852 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.316 -9.624 0.562 1.00 0.00 H new ATOM 216 N ASP A 16 -8.161 -11.943 1.556 1.00 0.00 N ATOM 217 CA ASP A 16 -9.532 -11.727 1.080 1.00 0.00 C ATOM 218 C ASP A 16 -10.580 -11.885 2.198 1.00 0.00 C ATOM 219 O ASP A 16 -11.717 -11.442 2.053 1.00 0.00 O ATOM 220 CB ASP A 16 -9.787 -12.714 -0.067 1.00 0.00 C ATOM 221 CG ASP A 16 -11.147 -12.524 -0.740 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.297 -11.569 -1.536 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.052 -13.360 -0.499 1.00 0.00 O ATOM 0 H ASP A 16 -7.729 -12.779 1.163 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.633 -10.699 0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.001 -12.602 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.719 -13.732 0.317 1.00 0.00 H new ATOM 227 N ARG A 17 -10.184 -12.480 3.329 1.00 0.00 N ATOM 228 CA ARG A 17 -11.012 -12.656 4.525 1.00 0.00 C ATOM 229 C ARG A 17 -10.989 -11.443 5.476 1.00 0.00 C ATOM 230 O ARG A 17 -11.833 -11.379 6.372 1.00 0.00 O ATOM 231 CB ARG A 17 -10.561 -13.914 5.274 1.00 0.00 C ATOM 232 CG ARG A 17 -10.521 -15.197 4.426 1.00 0.00 C ATOM 233 CD ARG A 17 -11.842 -15.532 3.714 1.00 0.00 C ATOM 234 NE ARG A 17 -11.757 -15.386 2.245 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.212 -16.254 1.397 1.00 0.00 C ATOM 236 NH1 ARG A 17 -10.672 -17.383 1.803 1.00 0.00 N ATOM 237 NH2 ARG A 17 -11.206 -15.993 0.110 1.00 0.00 N ATOM 0 H ARG A 17 -9.246 -12.865 3.439 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.042 -12.757 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.567 -13.737 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.231 -14.075 6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.734 -15.099 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.247 -16.034 5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.130 -16.555 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.629 -14.881 4.094 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.155 -14.537 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.663 -17.616 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.263 -18.026 1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.618 -15.127 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.789 -16.656 -0.543 1.00 0.00 H new ATOM 248 N LEU A 18 -10.045 -10.495 5.317 1.00 0.00 N ATOM 249 CA LEU A 18 -10.036 -9.243 6.103 1.00 0.00 C ATOM 250 C LEU A 18 -11.238 -8.352 5.762 1.00 0.00 C ATOM 251 O LEU A 18 -11.856 -8.511 4.710 1.00 0.00 O ATOM 252 CB LEU A 18 -8.660 -8.534 6.017 1.00 0.00 C ATOM 253 CG LEU A 18 -8.376 -7.613 4.803 1.00 0.00 C ATOM 254 CD1 LEU A 18 -8.905 -6.175 4.953 1.00 0.00 C ATOM 255 CD2 LEU A 18 -6.856 -7.502 4.591 1.00 0.00 C ATOM 0 H LEU A 18 -9.277 -10.572 4.650 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.164 -9.492 7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.538 -7.938 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.889 -9.304 6.036 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.896 -8.078 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.662 -5.603 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.987 -6.197 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.442 -5.706 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.654 -6.855 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.394 -7.080 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.442 -8.492 4.401 1.00 0.00 H new ATOM 266 N ALA A 19 -11.559 -7.383 6.626 1.00 0.00 N ATOM 267 CA ALA A 19 -12.610 -6.384 6.373 1.00 0.00 C ATOM 268 C ALA A 19 -12.284 -5.029 7.033 1.00 0.00 C ATOM 269 O ALA A 19 -12.149 -4.931 8.255 1.00 0.00 O ATOM 270 CB ALA A 19 -13.962 -6.942 6.839 1.00 0.00 C ATOM 0 H ALA A 19 -11.095 -7.267 7.527 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.663 -6.190 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.743 -6.205 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.187 -7.856 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.917 -7.162 7.906 1.00 0.00 H new ATOM 276 N GLY A 20 -12.181 -3.992 6.196 1.00 0.00 N ATOM 277 CA GLY A 20 -11.912 -2.595 6.572 1.00 0.00 C ATOM 278 C GLY A 20 -11.040 -1.862 5.534 1.00 0.00 C ATOM 279 O GLY A 20 -10.451 -2.527 4.673 1.00 0.00 O ATOM 0 H GLY A 20 -12.288 -4.106 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.857 -2.065 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.414 -2.572 7.541 1.00 0.00 H new ATOM 283 N PRO A 21 -10.952 -0.519 5.589 1.00 0.00 N ATOM 284 CA PRO A 21 -10.139 0.264 4.660 1.00 0.00 C ATOM 285 C PRO A 21 -8.655 -0.013 4.926 1.00 0.00 C ATOM 286 O PRO A 21 -8.111 0.397 5.953 1.00 0.00 O ATOM 287 CB PRO A 21 -10.532 1.723 4.901 1.00 0.00 C ATOM 288 CG PRO A 21 -11.020 1.738 6.348 1.00 0.00 C ATOM 289 CD PRO A 21 -11.641 0.357 6.530 1.00 0.00 C ATOM 0 HA PRO A 21 -10.307 0.007 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.685 2.394 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.313 2.045 4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.200 1.904 7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.748 2.531 6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.517 0.005 7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.712 0.381 6.329 1.00 0.00 H new ATOM 294 N THR A 22 -8.013 -0.740 4.007 1.00 0.00 N ATOM 295 CA THR A 22 -6.660 -1.298 4.186 1.00 0.00 C ATOM 296 C THR A 22 -5.851 -1.090 2.922 1.00 0.00 C ATOM 297 O THR A 22 -6.140 -1.668 1.879 1.00 0.00 O ATOM 298 CB THR A 22 -6.727 -2.800 4.522 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.537 -3.000 5.657 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.345 -3.382 4.837 1.00 0.00 C ATOM 0 H THR A 22 -8.422 -0.964 3.100 1.00 0.00 H new ATOM 0 HA THR A 22 -6.179 -0.781 5.016 1.00 0.00 H new ATOM 0 HB THR A 22 -7.137 -3.301 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.477 -2.864 5.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.441 -4.443 5.068 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.692 -3.256 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.918 -2.861 5.694 1.00 0.00 H new ATOM 308 N LEU A 23 -4.790 -0.300 3.002 1.00 0.00 N ATOM 309 CA LEU A 23 -3.825 -0.134 1.930 1.00 0.00 C ATOM 310 C LEU A 23 -2.766 -1.241 2.013 1.00 0.00 C ATOM 311 O LEU A 23 -2.131 -1.416 3.050 1.00 0.00 O ATOM 312 CB LEU A 23 -3.243 1.290 2.033 1.00 0.00 C ATOM 313 CG LEU A 23 -2.320 1.671 0.863 1.00 0.00 C ATOM 314 CD1 LEU A 23 -3.043 1.499 -0.467 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.828 3.101 1.035 1.00 0.00 C ATOM 0 H LEU A 23 -4.574 0.253 3.831 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.286 -0.234 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.064 2.005 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.686 1.378 2.966 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.457 1.006 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.374 1.773 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.349 0.459 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.924 2.141 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.175 3.364 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.681 3.779 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.275 3.186 1.971 1.00 0.00 H new ATOM 326 N VAL A 24 -2.564 -1.983 0.922 1.00 0.00 N ATOM 327 CA VAL A 24 -1.519 -3.019 0.821 1.00 0.00 C ATOM 328 C VAL A 24 -0.434 -2.528 -0.121 1.00 0.00 C ATOM 329 O VAL A 24 -0.704 -2.310 -1.300 1.00 0.00 O ATOM 330 CB VAL A 24 -2.094 -4.375 0.354 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.011 -5.466 0.393 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.278 -4.797 1.241 1.00 0.00 C ATOM 0 H VAL A 24 -3.122 -1.885 0.074 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.095 -3.191 1.810 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.442 -4.255 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.436 -6.413 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.189 -5.186 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.639 -5.573 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.668 -5.754 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.943 -4.893 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.063 -4.043 1.183 1.00 0.00 H new ATOM 342 N GLU A 25 0.770 -2.331 0.418 1.00 0.00 N ATOM 343 CA GLU A 25 1.938 -1.752 -0.242 1.00 0.00 C ATOM 344 C GLU A 25 2.997 -2.810 -0.565 1.00 0.00 C ATOM 345 O GLU A 25 3.455 -3.540 0.321 1.00 0.00 O ATOM 346 CB GLU A 25 2.504 -0.654 0.679 1.00 0.00 C ATOM 347 CG GLU A 25 3.656 0.157 0.071 1.00 0.00 C ATOM 348 CD GLU A 25 4.368 1.094 1.063 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.624 0.710 2.227 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.736 2.221 0.657 1.00 0.00 O ATOM 0 H GLU A 25 0.966 -2.587 1.386 1.00 0.00 H new ATOM 0 HA GLU A 25 1.642 -1.324 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.698 0.029 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.850 -1.116 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.389 -0.533 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.269 0.751 -0.757 1.00 0.00 H new ATOM 355 N PHE A 26 3.421 -2.862 -1.830 1.00 0.00 N ATOM 356 CA PHE A 26 4.472 -3.756 -2.324 1.00 0.00 C ATOM 357 C PHE A 26 5.777 -2.981 -2.528 1.00 0.00 C ATOM 358 O PHE A 26 5.777 -1.873 -3.071 1.00 0.00 O ATOM 359 CB PHE A 26 4.042 -4.420 -3.637 1.00 0.00 C ATOM 360 CG PHE A 26 2.588 -4.845 -3.690 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.086 -5.809 -2.792 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.721 -4.218 -4.601 1.00 0.00 C ATOM 363 CE1 PHE A 26 0.718 -6.118 -2.791 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.358 -4.551 -4.614 1.00 0.00 C ATOM 365 CZ PHE A 26 -0.149 -5.473 -3.691 1.00 0.00 C ATOM 0 H PHE A 26 3.031 -2.266 -2.560 1.00 0.00 H new ATOM 0 HA PHE A 26 4.638 -4.535 -1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.233 -3.728 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.668 -5.296 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.754 -6.309 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.104 -3.480 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.330 -6.851 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.301 -4.095 -5.338 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.207 -5.689 -3.670 1.00 0.00 H new ATOM 374 N GLY A 27 6.885 -3.588 -2.110 1.00 0.00 N ATOM 375 CA GLY A 27 8.217 -2.992 -2.179 1.00 0.00 C ATOM 376 C GLY A 27 9.192 -3.680 -1.231 1.00 0.00 C ATOM 377 O GLY A 27 9.021 -4.860 -0.938 1.00 0.00 O ATOM 0 H GLY A 27 6.882 -4.525 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.593 -3.059 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.155 -1.932 -1.931 1.00 0.00 H new ATOM 381 N THR A 28 10.179 -2.932 -0.724 1.00 0.00 N ATOM 382 CA THR A 28 11.088 -3.311 0.378 1.00 0.00 C ATOM 383 C THR A 28 11.455 -2.072 1.195 1.00 0.00 C ATOM 384 O THR A 28 11.065 -0.963 0.837 1.00 0.00 O ATOM 385 CB THR A 28 12.361 -4.011 -0.135 1.00 0.00 C ATOM 386 OG1 THR A 28 13.097 -3.110 -0.941 1.00 0.00 O ATOM 387 CG2 THR A 28 12.076 -5.278 -0.935 1.00 0.00 C ATOM 0 H THR A 28 10.380 -1.999 -1.085 1.00 0.00 H new ATOM 0 HA THR A 28 10.562 -4.025 1.012 1.00 0.00 H new ATOM 0 HB THR A 28 12.931 -4.312 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.050 -3.336 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.016 -5.719 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.541 -5.991 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.467 -5.030 -1.804 1.00 0.00 H new ATOM 395 N ASP A 29 12.218 -2.224 2.277 1.00 0.00 N ATOM 396 CA ASP A 29 12.708 -1.066 3.043 1.00 0.00 C ATOM 397 C ASP A 29 13.978 -0.440 2.427 1.00 0.00 C ATOM 398 O ASP A 29 14.481 0.566 2.928 1.00 0.00 O ATOM 399 CB ASP A 29 12.924 -1.491 4.503 1.00 0.00 C ATOM 400 CG ASP A 29 13.094 -0.288 5.447 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.169 0.550 5.509 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.127 -0.226 6.156 1.00 0.00 O ATOM 0 H ASP A 29 12.512 -3.129 2.645 1.00 0.00 H new ATOM 0 HA ASP A 29 11.954 -0.279 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.076 -2.091 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.807 -2.126 4.566 1.00 0.00 H new ATOM 406 N TRP A 30 14.510 -1.033 1.350 1.00 0.00 N ATOM 407 CA TRP A 30 15.862 -0.778 0.842 1.00 0.00 C ATOM 408 C TRP A 30 15.962 -0.442 -0.662 1.00 0.00 C ATOM 409 O TRP A 30 17.006 0.060 -1.088 1.00 0.00 O ATOM 410 CB TRP A 30 16.741 -1.983 1.213 1.00 0.00 C ATOM 411 CG TRP A 30 16.256 -3.345 0.816 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.653 -4.240 1.629 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.341 -3.995 -0.494 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.351 -5.387 0.924 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.737 -5.284 -0.398 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.875 -3.621 -1.748 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.636 -6.141 -1.502 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.790 -4.478 -2.858 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.163 -5.735 -2.740 1.00 0.00 C ATOM 0 H TRP A 30 13.999 -1.720 0.795 1.00 0.00 H new ATOM 0 HA TRP A 30 16.214 0.137 1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.723 -1.833 0.765 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.879 -1.978 2.294 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.439 -4.081 2.676 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.900 -6.207 1.328 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.357 -2.660 -1.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.158 -7.104 -1.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.207 -4.172 -3.806 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.088 -6.385 -3.599 1.00 0.00 H new ATOM 429 N CYS A 31 14.911 -0.651 -1.469 1.00 0.00 N ATOM 430 CA CYS A 31 14.905 -0.231 -2.881 1.00 0.00 C ATOM 431 C CYS A 31 14.820 1.302 -3.007 1.00 0.00 C ATOM 432 O CYS A 31 14.123 1.956 -2.224 1.00 0.00 O ATOM 433 CB CYS A 31 13.762 -0.923 -3.640 1.00 0.00 C ATOM 434 SG CYS A 31 13.803 -0.443 -5.402 1.00 0.00 S ATOM 0 H CYS A 31 14.051 -1.110 -1.168 1.00 0.00 H new ATOM 0 HA CYS A 31 15.847 -0.539 -3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.855 -2.005 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.803 -0.647 -3.201 1.00 0.00 H new ATOM 0 HG CYS A 31 13.537 -1.479 -6.140 1.00 0.00 H new ATOM 439 N GLY A 32 15.490 1.871 -4.016 1.00 0.00 N ATOM 440 CA GLY A 32 15.477 3.301 -4.348 1.00 0.00 C ATOM 441 C GLY A 32 14.100 3.815 -4.778 1.00 0.00 C ATOM 442 O GLY A 32 13.817 4.994 -4.576 1.00 0.00 O ATOM 0 H GLY A 32 16.078 1.328 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.814 3.870 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.192 3.486 -5.150 1.00 0.00 H new ATOM 446 N HIS A 33 13.215 2.949 -5.282 1.00 0.00 N ATOM 447 CA HIS A 33 11.800 3.286 -5.462 1.00 0.00 C ATOM 448 C HIS A 33 11.139 3.588 -4.107 1.00 0.00 C ATOM 449 O HIS A 33 10.483 4.616 -3.913 1.00 0.00 O ATOM 450 CB HIS A 33 11.069 2.095 -6.093 1.00 0.00 C ATOM 451 CG HIS A 33 11.487 1.673 -7.474 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.977 0.439 -7.816 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.235 2.347 -8.637 1.00 0.00 C ATOM 454 CE1 HIS A 33 12.004 0.354 -9.157 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.573 1.504 -9.711 1.00 0.00 N ATOM 0 H HIS A 33 13.457 2.002 -5.574 1.00 0.00 H new ATOM 0 HA HIS A 33 11.736 4.164 -6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.188 1.238 -5.430 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.005 2.331 -6.122 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.271 -0.289 -7.165 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.845 3.351 -8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.326 -0.514 -9.713 1.00 0.00 H new ATOM 463 N CYS A 34 11.348 2.694 -3.136 1.00 0.00 N ATOM 464 CA CYS A 34 10.787 2.815 -1.800 1.00 0.00 C ATOM 465 C CYS A 34 11.338 4.004 -1.026 1.00 0.00 C ATOM 466 O CYS A 34 10.574 4.643 -0.311 1.00 0.00 O ATOM 467 CB CYS A 34 11.016 1.508 -1.054 1.00 0.00 C ATOM 468 SG CYS A 34 9.597 0.445 -1.429 1.00 0.00 S ATOM 0 H CYS A 34 11.919 1.859 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 34 9.718 3.006 -1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.947 1.038 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.097 1.683 0.019 1.00 0.00 H new ATOM 0 HG CYS A 34 9.925 -0.406 -2.355 1.00 0.00 H new ATOM 473 N GLN A 35 12.601 4.376 -1.216 1.00 0.00 N ATOM 474 CA GLN A 35 13.169 5.523 -0.493 1.00 0.00 C ATOM 475 C GLN A 35 12.485 6.848 -0.860 1.00 0.00 C ATOM 476 O GLN A 35 12.535 7.813 -0.098 1.00 0.00 O ATOM 477 CB GLN A 35 14.680 5.659 -0.747 1.00 0.00 C ATOM 478 CG GLN A 35 15.502 4.398 -0.497 1.00 0.00 C ATOM 479 CD GLN A 35 15.156 3.655 0.791 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.396 4.122 1.896 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.587 2.476 0.684 1.00 0.00 N ATOM 0 H GLN A 35 13.247 3.911 -1.854 1.00 0.00 H new ATOM 0 HA GLN A 35 12.992 5.321 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.831 5.972 -1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.067 6.456 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.366 3.720 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.558 4.668 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.387 2.088 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.345 1.949 1.523 1.00 0.00 H new ATOM 488 N ALA A 36 11.834 6.882 -2.025 1.00 0.00 N ATOM 489 CA ALA A 36 11.004 7.981 -2.516 1.00 0.00 C ATOM 490 C ALA A 36 9.517 7.832 -2.130 1.00 0.00 C ATOM 491 O ALA A 36 8.884 8.824 -1.775 1.00 0.00 O ATOM 492 CB ALA A 36 11.187 8.052 -4.042 1.00 0.00 C ATOM 0 H ALA A 36 11.874 6.104 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 36 11.325 8.910 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.580 8.864 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.236 8.234 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.874 7.109 -4.490 1.00 0.00 H new ATOM 498 N ALA A 37 8.958 6.615 -2.180 1.00 0.00 N ATOM 499 CA ALA A 37 7.535 6.375 -1.915 1.00 0.00 C ATOM 500 C ALA A 37 7.202 6.258 -0.415 1.00 0.00 C ATOM 501 O ALA A 37 6.121 6.664 0.008 1.00 0.00 O ATOM 502 CB ALA A 37 7.075 5.125 -2.680 1.00 0.00 C ATOM 0 H ALA A 37 9.481 5.769 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 37 6.988 7.249 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.018 4.947 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.225 5.277 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.656 4.263 -2.351 1.00 0.00 H new ATOM 508 N GLN A 38 8.131 5.763 0.406 1.00 0.00 N ATOM 509 CA GLN A 38 7.959 5.648 1.856 1.00 0.00 C ATOM 510 C GLN A 38 7.706 7.002 2.552 1.00 0.00 C ATOM 511 O GLN A 38 6.694 7.101 3.251 1.00 0.00 O ATOM 512 CB GLN A 38 9.163 4.926 2.482 1.00 0.00 C ATOM 513 CG GLN A 38 9.126 3.400 2.288 1.00 0.00 C ATOM 514 CD GLN A 38 10.342 2.712 2.923 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.442 2.706 2.379 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.203 2.126 4.100 1.00 0.00 N ATOM 0 H GLN A 38 9.036 5.426 0.078 1.00 0.00 H new ATOM 0 HA GLN A 38 7.059 5.054 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.081 5.319 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.197 5.149 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.212 3.000 2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.094 3.170 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.295 2.123 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.004 1.677 4.544 1.00 0.00 H new ATOM 523 N PRO A 39 8.544 8.050 2.369 1.00 0.00 N ATOM 524 CA PRO A 39 8.261 9.375 2.910 1.00 0.00 C ATOM 525 C PRO A 39 7.056 10.040 2.231 1.00 0.00 C ATOM 526 O PRO A 39 6.468 10.944 2.815 1.00 0.00 O ATOM 527 CB PRO A 39 9.544 10.194 2.721 1.00 0.00 C ATOM 528 CG PRO A 39 10.175 9.560 1.489 1.00 0.00 C ATOM 529 CD PRO A 39 9.820 8.085 1.664 1.00 0.00 C ATOM 0 HA PRO A 39 7.985 9.309 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.329 11.251 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.198 10.126 3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.766 9.970 0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.253 9.718 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.744 7.587 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.592 7.564 2.231 1.00 0.00 H new ATOM 534 N LEU A 40 6.649 9.575 1.043 1.00 0.00 N ATOM 535 CA LEU A 40 5.430 10.034 0.374 1.00 0.00 C ATOM 536 C LEU A 40 4.219 9.587 1.193 1.00 0.00 C ATOM 537 O LEU A 40 3.441 10.435 1.635 1.00 0.00 O ATOM 538 CB LEU A 40 5.348 9.454 -1.054 1.00 0.00 C ATOM 539 CG LEU A 40 4.964 10.403 -2.195 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.748 11.260 -1.847 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.123 11.285 -2.655 1.00 0.00 C ATOM 0 H LEU A 40 7.161 8.866 0.518 1.00 0.00 H new ATOM 0 HA LEU A 40 5.444 11.121 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.318 9.019 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.626 8.637 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 40 4.698 9.756 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.513 11.916 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.894 10.614 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.967 11.862 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.788 11.934 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.470 11.895 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.940 10.657 -3.009 1.00 0.00 H new ATOM 552 N LEU A 41 4.111 8.269 1.443 1.00 0.00 N ATOM 553 CA LEU A 41 3.061 7.669 2.266 1.00 0.00 C ATOM 554 C LEU A 41 3.078 8.328 3.642 1.00 0.00 C ATOM 555 O LEU A 41 2.050 8.832 4.068 1.00 0.00 O ATOM 556 CB LEU A 41 3.178 6.129 2.363 1.00 0.00 C ATOM 557 CG LEU A 41 2.447 5.303 1.280 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.980 5.689 1.089 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.232 5.322 -0.034 1.00 0.00 C ATOM 0 H LEU A 41 4.767 7.584 1.068 1.00 0.00 H new ATOM 0 HA LEU A 41 2.100 7.852 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.236 5.867 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.800 5.821 3.338 1.00 0.00 H new ATOM 0 HG LEU A 41 2.413 4.276 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.538 5.065 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.440 5.542 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.915 6.736 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.701 4.735 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.333 6.350 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.222 4.895 0.127 1.00 0.00 H new ATOM 570 N ALA A 42 4.242 8.438 4.283 1.00 0.00 N ATOM 571 CA ALA A 42 4.376 9.072 5.601 1.00 0.00 C ATOM 572 C ALA A 42 3.782 10.498 5.675 1.00 0.00 C ATOM 573 O ALA A 42 3.162 10.856 6.680 1.00 0.00 O ATOM 574 CB ALA A 42 5.856 9.060 5.983 1.00 0.00 C ATOM 0 H ALA A 42 5.123 8.090 3.904 1.00 0.00 H new ATOM 0 HA ALA A 42 3.788 8.497 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.983 9.526 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.213 8.031 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.428 9.614 5.239 1.00 0.00 H new ATOM 580 N GLU A 43 3.920 11.292 4.608 1.00 0.00 N ATOM 581 CA GLU A 43 3.334 12.638 4.517 1.00 0.00 C ATOM 582 C GLU A 43 1.804 12.600 4.379 1.00 0.00 C ATOM 583 O GLU A 43 1.111 13.306 5.118 1.00 0.00 O ATOM 584 CB GLU A 43 3.958 13.434 3.355 1.00 0.00 C ATOM 585 CG GLU A 43 5.375 13.916 3.678 1.00 0.00 C ATOM 586 CD GLU A 43 5.373 15.164 4.579 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.212 16.291 4.058 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.547 15.029 5.815 1.00 0.00 O ATOM 0 H GLU A 43 4.444 11.019 3.777 1.00 0.00 H new ATOM 0 HA GLU A 43 3.564 13.145 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.983 12.810 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.327 14.293 3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.926 13.115 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.901 14.141 2.750 1.00 0.00 H new ATOM 593 N VAL A 44 1.259 11.772 3.472 1.00 0.00 N ATOM 594 CA VAL A 44 -0.201 11.651 3.281 1.00 0.00 C ATOM 595 C VAL A 44 -0.890 11.011 4.503 1.00 0.00 C ATOM 596 O VAL A 44 -1.863 11.562 5.012 1.00 0.00 O ATOM 597 CB VAL A 44 -0.572 10.945 1.953 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.126 9.629 1.686 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.069 10.679 1.839 1.00 0.00 C ATOM 0 H VAL A 44 1.808 11.173 2.856 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.589 12.666 3.198 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.228 11.665 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.210 9.226 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.204 9.789 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.112 8.923 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.279 10.183 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.389 10.040 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.611 11.624 1.882 1.00 0.00 H new ATOM 609 N PHE A 45 -0.374 9.885 5.000 1.00 0.00 N ATOM 610 CA PHE A 45 -0.966 9.062 6.066 1.00 0.00 C ATOM 611 C PHE A 45 -1.137 9.805 7.399 1.00 0.00 C ATOM 612 O PHE A 45 -2.009 9.450 8.188 1.00 0.00 O ATOM 613 CB PHE A 45 -0.108 7.799 6.303 1.00 0.00 C ATOM 614 CG PHE A 45 -0.881 6.501 6.269 1.00 0.00 C ATOM 615 CD1 PHE A 45 -1.851 6.239 7.247 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.634 5.548 5.260 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.577 5.042 7.209 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.365 4.351 5.216 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.347 4.098 6.186 1.00 0.00 C ATOM 0 H PHE A 45 0.507 9.502 4.658 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.963 8.796 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.676 7.760 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.387 7.887 7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.038 6.960 8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.124 5.741 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.318 4.840 7.968 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.172 3.627 4.438 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.924 3.186 6.150 1.00 0.00 H new ATOM 628 N SER A 46 -0.349 10.851 7.644 1.00 0.00 N ATOM 629 CA SER A 46 -0.458 11.689 8.851 1.00 0.00 C ATOM 630 C SER A 46 -1.832 12.381 8.995 1.00 0.00 C ATOM 631 O SER A 46 -2.189 12.792 10.099 1.00 0.00 O ATOM 632 CB SER A 46 0.665 12.734 8.868 1.00 0.00 C ATOM 633 OG SER A 46 1.951 12.140 9.023 1.00 0.00 O ATOM 0 H SER A 46 0.391 11.148 7.009 1.00 0.00 H new ATOM 0 HA SER A 46 -0.359 11.019 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.640 13.306 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.491 13.438 9.682 1.00 0.00 H new ATOM 0 HG SER A 46 2.242 11.763 8.167 1.00 0.00 H new ATOM 638 N ASP A 47 -2.618 12.483 7.914 1.00 0.00 N ATOM 639 CA ASP A 47 -3.990 13.013 7.907 1.00 0.00 C ATOM 640 C ASP A 47 -5.081 11.920 7.857 1.00 0.00 C ATOM 641 O ASP A 47 -6.262 12.233 7.996 1.00 0.00 O ATOM 642 CB ASP A 47 -4.128 13.982 6.724 1.00 0.00 C ATOM 643 CG ASP A 47 -5.309 14.951 6.885 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.322 15.734 7.867 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.193 14.977 6.001 1.00 0.00 O ATOM 0 H ASP A 47 -2.306 12.189 6.989 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.152 13.530 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.206 14.554 6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.255 13.410 5.805 1.00 0.00 H new ATOM 649 N TYR A 48 -4.696 10.647 7.679 1.00 0.00 N ATOM 650 CA TYR A 48 -5.610 9.490 7.546 1.00 0.00 C ATOM 651 C TYR A 48 -5.249 8.262 8.436 1.00 0.00 C ATOM 652 O TYR A 48 -5.278 7.120 7.944 1.00 0.00 O ATOM 653 CB TYR A 48 -5.708 9.074 6.068 1.00 0.00 C ATOM 654 CG TYR A 48 -5.989 10.210 5.110 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.292 10.725 4.979 1.00 0.00 C ATOM 656 CD2 TYR A 48 -4.935 10.786 4.381 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.552 11.804 4.115 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.175 11.893 3.555 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.480 12.410 3.417 1.00 0.00 C ATOM 660 OH TYR A 48 -6.702 13.488 2.620 1.00 0.00 O ATOM 0 H TYR A 48 -3.713 10.381 7.621 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.577 9.831 7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.774 8.594 5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.496 8.327 5.966 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.100 10.288 5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.939 10.376 4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.561 12.167 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.356 12.352 3.021 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.856 13.778 2.218 1.00 0.00 H new ATOM 669 N PRO A 49 -4.906 8.434 9.736 1.00 0.00 N ATOM 670 CA PRO A 49 -4.421 7.350 10.602 1.00 0.00 C ATOM 671 C PRO A 49 -5.430 6.209 10.836 1.00 0.00 C ATOM 672 O PRO A 49 -5.029 5.139 11.293 1.00 0.00 O ATOM 673 CB PRO A 49 -4.040 8.025 11.925 1.00 0.00 C ATOM 674 CG PRO A 49 -4.941 9.257 11.966 1.00 0.00 C ATOM 675 CD PRO A 49 -4.984 9.671 10.499 1.00 0.00 C ATOM 0 HA PRO A 49 -3.582 6.851 10.117 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.218 7.369 12.777 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.985 8.298 11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.933 9.024 12.353 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.529 10.043 12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.902 10.213 10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.154 10.334 10.255 1.00 0.00 H new ATOM 680 N GLU A 50 -6.716 6.390 10.505 1.00 0.00 N ATOM 681 CA GLU A 50 -7.729 5.331 10.557 1.00 0.00 C ATOM 682 C GLU A 50 -7.611 4.286 9.421 1.00 0.00 C ATOM 683 O GLU A 50 -8.199 3.205 9.527 1.00 0.00 O ATOM 684 CB GLU A 50 -9.145 5.916 10.627 1.00 0.00 C ATOM 685 CG GLU A 50 -9.583 6.703 9.391 1.00 0.00 C ATOM 686 CD GLU A 50 -9.280 8.202 9.525 1.00 0.00 C ATOM 687 OE1 GLU A 50 -8.084 8.569 9.450 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.230 8.999 9.713 1.00 0.00 O ATOM 0 H GLU A 50 -7.085 7.287 10.190 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.530 4.785 11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.851 5.101 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.209 6.570 11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.075 6.308 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.652 6.562 9.232 1.00 0.00 H new ATOM 693 N VAL A 51 -6.853 4.568 8.349 1.00 0.00 N ATOM 694 CA VAL A 51 -6.570 3.594 7.272 1.00 0.00 C ATOM 695 C VAL A 51 -5.522 2.574 7.773 1.00 0.00 C ATOM 696 O VAL A 51 -4.604 2.934 8.511 1.00 0.00 O ATOM 697 CB VAL A 51 -6.108 4.319 5.978 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.813 3.353 4.819 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.172 5.316 5.476 1.00 0.00 C ATOM 0 H VAL A 51 -6.417 5.478 8.201 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.481 3.053 7.017 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.191 4.836 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.495 3.920 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.021 2.664 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.714 2.789 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.814 5.804 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.097 4.782 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.358 6.067 6.244 1.00 0.00 H new ATOM 709 N GLY A 52 -5.640 1.298 7.384 1.00 0.00 N ATOM 710 CA GLY A 52 -4.636 0.258 7.664 1.00 0.00 C ATOM 711 C GLY A 52 -3.513 0.274 6.622 1.00 0.00 C ATOM 712 O GLY A 52 -3.770 0.583 5.466 1.00 0.00 O ATOM 0 H GLY A 52 -6.444 0.953 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.215 0.414 8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.115 -0.721 7.670 1.00 0.00 H new ATOM 716 N HIS A 53 -2.282 -0.086 6.986 1.00 0.00 N ATOM 717 CA HIS A 53 -1.174 -0.216 6.023 1.00 0.00 C ATOM 718 C HIS A 53 -0.397 -1.529 6.218 1.00 0.00 C ATOM 719 O HIS A 53 0.046 -1.830 7.330 1.00 0.00 O ATOM 720 CB HIS A 53 -0.232 1.006 6.123 1.00 0.00 C ATOM 721 CG HIS A 53 0.564 1.317 4.866 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.775 1.977 4.800 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.177 1.091 3.568 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.095 2.137 3.500 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.134 1.635 2.718 1.00 0.00 N ATOM 0 H HIS A 53 -2.020 -0.296 7.949 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.604 -0.246 5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.826 1.882 6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.466 0.840 6.943 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.331 2.289 5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.721 0.577 3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.000 2.605 3.141 1.00 0.00 H new ATOM 733 N LEU A 54 -0.202 -2.289 5.135 1.00 0.00 N ATOM 734 CA LEU A 54 0.518 -3.562 5.115 1.00 0.00 C ATOM 735 C LEU A 54 1.712 -3.467 4.158 1.00 0.00 C ATOM 736 O LEU A 54 1.539 -3.438 2.942 1.00 0.00 O ATOM 737 CB LEU A 54 -0.497 -4.660 4.725 1.00 0.00 C ATOM 738 CG LEU A 54 0.079 -6.085 4.575 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.788 -6.578 5.841 1.00 0.00 C ATOM 740 CD2 LEU A 54 -1.055 -7.051 4.210 1.00 0.00 C ATOM 0 H LEU A 54 -0.555 -2.023 4.216 1.00 0.00 H new ATOM 0 HA LEU A 54 0.936 -3.813 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.285 -4.684 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.966 -4.377 3.783 1.00 0.00 H new ATOM 0 HG LEU A 54 0.829 -6.052 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.172 -7.585 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.615 -5.909 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.082 -6.591 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.654 -8.059 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.808 -7.042 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.510 -6.740 3.270 1.00 0.00 H new ATOM 751 N LYS A 55 2.929 -3.406 4.711 1.00 0.00 N ATOM 752 CA LYS A 55 4.184 -3.302 3.951 1.00 0.00 C ATOM 753 C LYS A 55 4.710 -4.691 3.534 1.00 0.00 C ATOM 754 O LYS A 55 5.402 -5.339 4.324 1.00 0.00 O ATOM 755 CB LYS A 55 5.240 -2.576 4.808 1.00 0.00 C ATOM 756 CG LYS A 55 4.992 -1.077 5.029 1.00 0.00 C ATOM 757 CD LYS A 55 4.433 -0.670 6.395 1.00 0.00 C ATOM 758 CE LYS A 55 5.368 -1.029 7.567 1.00 0.00 C ATOM 759 NZ LYS A 55 4.855 -0.526 8.872 1.00 0.00 N ATOM 0 H LYS A 55 3.074 -3.428 5.720 1.00 0.00 H new ATOM 0 HA LYS A 55 3.988 -2.735 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.293 -3.065 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.214 -2.700 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.933 -0.549 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.302 -0.729 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.251 0.405 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.469 -1.157 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.485 -2.112 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.357 -0.610 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.516 -0.791 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.768 0.510 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.923 -0.945 9.063 1.00 0.00 H new ATOM 769 N VAL A 56 4.411 -5.152 2.320 1.00 0.00 N ATOM 770 CA VAL A 56 4.776 -6.497 1.835 1.00 0.00 C ATOM 771 C VAL A 56 6.129 -6.481 1.133 1.00 0.00 C ATOM 772 O VAL A 56 6.299 -5.839 0.095 1.00 0.00 O ATOM 773 CB VAL A 56 3.686 -7.086 0.905 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.057 -8.506 0.436 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.346 -7.119 1.655 1.00 0.00 C ATOM 0 H VAL A 56 3.901 -4.599 1.631 1.00 0.00 H new ATOM 0 HA VAL A 56 4.852 -7.144 2.709 1.00 0.00 H new ATOM 0 HB VAL A 56 3.605 -6.452 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.272 -8.891 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.999 -8.474 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.163 -9.159 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.575 -7.533 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.442 -7.741 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.068 -6.107 1.948 1.00 0.00 H new ATOM 785 N GLU A 57 7.083 -7.199 1.736 1.00 0.00 N ATOM 786 CA GLU A 57 8.474 -7.273 1.308 1.00 0.00 C ATOM 787 C GLU A 57 8.635 -8.262 0.144 1.00 0.00 C ATOM 788 O GLU A 57 8.797 -9.470 0.332 1.00 0.00 O ATOM 789 CB GLU A 57 9.386 -7.578 2.508 1.00 0.00 C ATOM 790 CG GLU A 57 10.755 -6.942 2.277 1.00 0.00 C ATOM 791 CD GLU A 57 11.785 -7.199 3.393 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.407 -7.590 4.523 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.993 -6.983 3.131 1.00 0.00 O ATOM 0 H GLU A 57 6.895 -7.763 2.565 1.00 0.00 H new ATOM 0 HA GLU A 57 8.788 -6.304 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.942 -7.190 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.490 -8.655 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.159 -7.316 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.625 -5.866 2.163 1.00 0.00 H new ATOM 894 N GLY A 65 2.135 -8.922 -5.153 1.00 0.00 N ATOM 895 CA GLY A 65 1.921 -8.015 -6.293 1.00 0.00 C ATOM 896 C GLY A 65 1.707 -8.719 -7.641 1.00 0.00 C ATOM 897 O GLY A 65 1.071 -8.146 -8.531 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.054 -7.389 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.781 -7.351 -6.378 1.00 0.00 H new ATOM 901 N ARG A 66 2.152 -9.975 -7.780 1.00 0.00 N ATOM 902 CA ARG A 66 1.817 -10.845 -8.913 1.00 0.00 C ATOM 903 C ARG A 66 0.301 -11.082 -8.985 1.00 0.00 C ATOM 904 O ARG A 66 -0.307 -10.893 -10.035 1.00 0.00 O ATOM 905 CB ARG A 66 2.559 -12.185 -8.750 1.00 0.00 C ATOM 906 CG ARG A 66 2.380 -13.139 -9.947 1.00 0.00 C ATOM 907 CD ARG A 66 2.717 -14.588 -9.563 1.00 0.00 C ATOM 908 NE ARG A 66 1.727 -15.126 -8.616 1.00 0.00 N ATOM 909 CZ ARG A 66 1.829 -16.232 -7.897 1.00 0.00 C ATOM 910 NH1 ARG A 66 2.867 -17.038 -7.997 1.00 0.00 N ATOM 911 NH2 ARG A 66 0.870 -16.535 -7.049 1.00 0.00 N ATOM 0 H ARG A 66 2.764 -10.421 -7.097 1.00 0.00 H new ATOM 0 HA ARG A 66 2.126 -10.364 -9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.622 -11.988 -8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.204 -12.680 -7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.352 -13.086 -10.306 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.022 -12.820 -10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.744 -15.209 -10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.711 -14.628 -9.118 1.00 0.00 H new ATOM 0 HE ARG A 66 0.868 -14.587 -8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.624 -16.817 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.913 -17.883 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.062 -15.921 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.935 -17.384 -6.488 1.00 0.00 H new ATOM 922 N SER A 67 -0.325 -11.437 -7.865 1.00 0.00 N ATOM 923 CA SER A 67 -1.750 -11.803 -7.775 1.00 0.00 C ATOM 924 C SER A 67 -2.679 -10.574 -7.699 1.00 0.00 C ATOM 925 O SER A 67 -3.896 -10.708 -7.833 1.00 0.00 O ATOM 926 CB SER A 67 -1.957 -12.708 -6.550 1.00 0.00 C ATOM 927 OG SER A 67 -1.068 -13.826 -6.561 1.00 0.00 O ATOM 0 H SER A 67 0.153 -11.481 -6.965 1.00 0.00 H new ATOM 0 HA SER A 67 -2.017 -12.334 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.802 -12.129 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.987 -13.063 -6.530 1.00 0.00 H new ATOM 0 HG SER A 67 -1.227 -14.378 -5.767 1.00 0.00 H new ATOM 932 N PHE A 68 -2.113 -9.374 -7.523 1.00 0.00 N ATOM 933 CA PHE A 68 -2.767 -8.101 -7.835 1.00 0.00 C ATOM 934 C PHE A 68 -2.537 -7.638 -9.277 1.00 0.00 C ATOM 935 O PHE A 68 -3.179 -6.679 -9.705 1.00 0.00 O ATOM 936 CB PHE A 68 -2.284 -7.033 -6.842 1.00 0.00 C ATOM 937 CG PHE A 68 -2.973 -7.114 -5.503 1.00 0.00 C ATOM 938 CD1 PHE A 68 -4.189 -6.447 -5.309 1.00 0.00 C ATOM 939 CD2 PHE A 68 -2.403 -7.849 -4.456 1.00 0.00 C ATOM 940 CE1 PHE A 68 -4.831 -6.495 -4.059 1.00 0.00 C ATOM 941 CE2 PHE A 68 -3.036 -7.897 -3.204 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.255 -7.226 -3.002 1.00 0.00 C ATOM 0 H PHE A 68 -1.169 -9.260 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.842 -8.253 -7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.209 -7.140 -6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.451 -6.045 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.635 -5.894 -6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.475 -8.380 -4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.764 -5.972 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.585 -8.451 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.747 -7.271 -2.042 1.00 0.00 H new ATOM 951 N GLN A 69 -1.649 -8.293 -10.030 1.00 0.00 N ATOM 952 CA GLN A 69 -1.283 -7.958 -11.407 1.00 0.00 C ATOM 953 C GLN A 69 -0.730 -6.515 -11.490 1.00 0.00 C ATOM 954 O GLN A 69 -1.178 -5.694 -12.287 1.00 0.00 O ATOM 955 CB GLN A 69 -2.452 -8.268 -12.367 1.00 0.00 C ATOM 956 CG GLN A 69 -2.796 -9.770 -12.441 1.00 0.00 C ATOM 957 CD GLN A 69 -3.573 -10.380 -11.267 1.00 0.00 C ATOM 958 OE1 GLN A 69 -3.394 -11.540 -10.922 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.465 -9.669 -10.604 1.00 0.00 N ATOM 0 H GLN A 69 -1.144 -9.107 -9.680 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.463 -8.593 -11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.334 -7.715 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.199 -7.910 -13.365 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.374 -9.938 -13.350 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.863 -10.323 -12.550 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.640 -8.698 -10.865 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.980 -10.090 -9.831 1.00 0.00 H new ATOM 966 N VAL A 70 0.213 -6.204 -10.598 1.00 0.00 N ATOM 967 CA VAL A 70 0.884 -4.898 -10.463 1.00 0.00 C ATOM 968 C VAL A 70 1.633 -4.495 -11.751 1.00 0.00 C ATOM 969 O VAL A 70 2.321 -5.316 -12.359 1.00 0.00 O ATOM 970 CB VAL A 70 1.831 -4.924 -9.231 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.821 -3.756 -9.186 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.998 -4.914 -7.939 1.00 0.00 C ATOM 0 H VAL A 70 0.549 -6.884 -9.916 1.00 0.00 H new ATOM 0 HA VAL A 70 0.123 -4.134 -10.304 1.00 0.00 H new ATOM 0 HB VAL A 70 2.418 -5.838 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.447 -3.844 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.449 -3.777 -10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.272 -2.815 -9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.664 -4.932 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.387 -4.012 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.351 -5.791 -7.916 1.00 0.00 H new ATOM 982 N LYS A 71 1.506 -3.217 -12.144 1.00 0.00 N ATOM 983 CA LYS A 71 2.109 -2.660 -13.366 1.00 0.00 C ATOM 984 C LYS A 71 3.569 -2.208 -13.171 1.00 0.00 C ATOM 985 O LYS A 71 4.471 -2.782 -13.788 1.00 0.00 O ATOM 986 CB LYS A 71 1.207 -1.531 -13.918 1.00 0.00 C ATOM 987 CG LYS A 71 0.213 -2.008 -14.996 1.00 0.00 C ATOM 988 CD LYS A 71 -0.775 -3.107 -14.580 1.00 0.00 C ATOM 989 CE LYS A 71 -1.739 -2.656 -13.479 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.797 -1.739 -13.992 1.00 0.00 N ATOM 0 H LYS A 71 0.972 -2.530 -11.612 1.00 0.00 H new ATOM 0 HA LYS A 71 2.165 -3.457 -14.107 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.650 -1.086 -13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.837 -0.746 -14.338 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.360 -1.146 -15.337 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.785 -2.369 -15.851 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.349 -3.422 -15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.218 -3.978 -14.234 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.207 -3.531 -13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.177 -2.154 -12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.425 -1.461 -13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.354 -0.890 -14.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.352 -2.225 -14.725 1.00 0.00 H new ATOM 1000 N LEU A 72 3.810 -1.213 -12.305 1.00 0.00 N ATOM 1001 CA LEU A 72 5.149 -0.817 -11.849 1.00 0.00 C ATOM 1002 C LEU A 72 5.337 -1.249 -10.391 1.00 0.00 C ATOM 1003 O LEU A 72 4.422 -1.138 -9.579 1.00 0.00 O ATOM 1004 CB LEU A 72 5.352 0.708 -11.995 1.00 0.00 C ATOM 1005 CG LEU A 72 6.840 1.119 -12.036 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.466 0.819 -13.408 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.971 2.612 -11.739 1.00 0.00 C ATOM 0 H LEU A 72 3.065 -0.651 -11.894 1.00 0.00 H new ATOM 0 HA LEU A 72 5.896 -1.312 -12.470 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.862 1.048 -12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.864 1.215 -11.163 1.00 0.00 H new ATOM 0 HG LEU A 72 7.370 0.539 -11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.514 1.120 -13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.396 -0.249 -13.614 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.933 1.373 -14.180 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.022 2.898 -11.769 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.419 3.181 -12.486 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.566 2.823 -10.749 1.00 0.00 H new ATOM 1018 N TRP A 73 6.537 -1.713 -10.049 1.00 0.00 N ATOM 1019 CA TRP A 73 6.825 -2.366 -8.768 1.00 0.00 C ATOM 1020 C TRP A 73 6.436 -1.560 -7.503 1.00 0.00 C ATOM 1021 O TRP A 73 5.823 -2.168 -6.615 1.00 0.00 O ATOM 1022 CB TRP A 73 8.300 -2.752 -8.772 1.00 0.00 C ATOM 1023 CG TRP A 73 8.737 -3.641 -7.666 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.525 -4.971 -7.585 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.480 -3.281 -6.466 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.106 -5.459 -6.434 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.754 -4.468 -5.726 1.00 0.00 C ATOM 1028 CE3 TRP A 73 9.948 -2.060 -5.939 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.533 -4.451 -4.556 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.694 -2.031 -4.752 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.020 -3.221 -4.084 1.00 0.00 C ATOM 0 H TRP A 73 7.350 -1.646 -10.661 1.00 0.00 H new ATOM 0 HA TRP A 73 6.184 -3.244 -8.694 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.525 -3.243 -9.719 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.895 -1.840 -8.737 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.984 -5.562 -8.309 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.062 -6.435 -6.141 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.730 -1.137 -6.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.753 -5.368 -4.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.021 -1.084 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.647 -3.191 -3.205 1.00 0.00 H new ATOM 1041 N PRO A 74 6.727 -0.241 -7.387 1.00 0.00 N ATOM 1042 CA PRO A 74 6.245 0.567 -6.280 1.00 0.00 C ATOM 1043 C PRO A 74 4.765 0.908 -6.486 1.00 0.00 C ATOM 1044 O PRO A 74 4.411 1.919 -7.101 1.00 0.00 O ATOM 1045 CB PRO A 74 7.142 1.803 -6.222 1.00 0.00 C ATOM 1046 CG PRO A 74 7.513 2.002 -7.692 1.00 0.00 C ATOM 1047 CD PRO A 74 7.619 0.571 -8.209 1.00 0.00 C ATOM 0 HA PRO A 74 6.297 0.040 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.618 2.667 -5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.021 1.639 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.753 2.571 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.453 2.543 -7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.333 0.517 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.645 0.210 -8.139 1.00 0.00 H new ATOM 1052 N THR A 75 3.894 0.035 -5.971 1.00 0.00 N ATOM 1053 CA THR A 75 2.437 0.134 -6.059 1.00 0.00 C ATOM 1054 C THR A 75 1.841 -0.225 -4.713 1.00 0.00 C ATOM 1055 O THR A 75 2.354 -1.077 -3.988 1.00 0.00 O ATOM 1056 CB THR A 75 1.907 -0.798 -7.152 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.210 -0.215 -8.388 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.387 -1.016 -7.161 1.00 0.00 C ATOM 0 H THR A 75 4.199 -0.794 -5.461 1.00 0.00 H new ATOM 0 HA THR A 75 2.151 1.153 -6.321 1.00 0.00 H new ATOM 0 HB THR A 75 2.374 -1.764 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.934 -0.717 -8.818 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.121 -1.691 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.076 -1.451 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.117 -0.060 -7.304 1.00 0.00 H new ATOM 1066 N PHE A 76 0.716 0.416 -4.417 1.00 0.00 N ATOM 1067 CA PHE A 76 -0.089 0.145 -3.241 1.00 0.00 C ATOM 1068 C PHE A 76 -1.574 0.145 -3.624 1.00 0.00 C ATOM 1069 O PHE A 76 -2.074 1.086 -4.251 1.00 0.00 O ATOM 1070 CB PHE A 76 0.256 1.121 -2.103 1.00 0.00 C ATOM 1071 CG PHE A 76 0.766 2.467 -2.526 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.111 2.623 -2.920 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.109 3.557 -2.531 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.563 3.862 -3.385 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.361 4.806 -2.947 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.683 4.951 -3.408 1.00 0.00 C ATOM 0 H PHE A 76 0.333 1.156 -5.005 1.00 0.00 H new ATOM 0 HA PHE A 76 0.140 -0.848 -2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.635 1.267 -1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.006 0.654 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.791 1.786 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.135 3.436 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.582 3.978 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.294 5.664 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.020 5.907 -3.781 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.256 -0.948 -3.272 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.656 -1.235 -3.626 1.00 0.00 C ATOM 1087 C VAL A 77 -4.541 -0.938 -2.422 1.00 0.00 C ATOM 1088 O VAL A 77 -4.350 -1.527 -1.358 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.844 -2.685 -4.124 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.299 -2.923 -4.552 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.940 -2.978 -5.326 1.00 0.00 C ATOM 0 H VAL A 77 -1.835 -1.688 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.947 -0.592 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.581 -3.346 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.413 -3.950 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.961 -2.752 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.558 -2.236 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.094 -4.006 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.185 -2.296 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.897 -2.841 -5.039 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.477 0.000 -2.590 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.436 0.388 -1.564 1.00 0.00 C ATOM 1103 C PHE A 78 -7.558 -0.649 -1.572 1.00 0.00 C ATOM 1104 O PHE A 78 -8.284 -0.806 -2.559 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.964 1.816 -1.810 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.944 2.941 -1.711 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.006 3.120 -2.744 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.873 3.775 -0.573 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.983 4.072 -2.637 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.861 4.756 -0.477 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.924 4.900 -1.514 1.00 0.00 C ATOM 0 H PHE A 78 -5.588 0.518 -3.462 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.963 0.410 -0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.413 1.848 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.761 2.014 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.075 2.513 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.593 3.663 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.244 4.165 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.808 5.394 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.155 5.654 -1.442 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.686 -1.382 -0.467 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.772 -2.325 -0.229 1.00 0.00 C ATOM 1122 C LEU A 79 -9.831 -1.699 0.675 1.00 0.00 C ATOM 1123 O LEU A 79 -9.577 -0.766 1.437 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.292 -3.629 0.423 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.084 -4.296 -0.225 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.833 -5.633 0.471 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.185 -4.547 -1.729 1.00 0.00 C ATOM 0 H LEU A 79 -7.020 -1.334 0.304 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.189 -2.563 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.052 -3.423 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.119 -4.339 0.420 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.266 -3.587 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.971 -6.123 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.638 -5.461 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.711 -6.270 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.270 -5.025 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.035 -5.197 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.321 -3.598 -2.248 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.989 -2.332 0.635 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.136 -2.158 1.532 1.00 0.00 C ATOM 1140 C ARG A 80 -12.955 -3.452 1.464 1.00 0.00 C ATOM 1141 O ARG A 80 -13.034 -4.062 0.400 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.916 -0.905 1.106 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.875 -0.391 2.182 1.00 0.00 C ATOM 1144 CD ARG A 80 -14.534 0.920 1.719 1.00 0.00 C ATOM 1145 NE ARG A 80 -13.788 2.116 2.158 1.00 0.00 N ATOM 1146 CZ ARG A 80 -13.966 2.781 3.297 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -14.764 2.352 4.255 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -13.331 3.913 3.487 1.00 0.00 N ATOM 0 H ARG A 80 -11.175 -3.038 -0.078 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.847 -1.994 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.209 -0.115 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.482 -1.129 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.640 -1.140 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.334 -0.226 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.608 0.921 0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.551 0.968 2.107 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.067 2.466 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.275 1.477 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.870 2.895 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.708 4.276 2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.460 4.431 4.356 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.433 -3.964 2.606 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.015 -5.320 2.737 1.00 0.00 C ATOM 1161 C ASP A 81 -13.009 -6.456 2.409 1.00 0.00 C ATOM 1162 O ASP A 81 -13.409 -7.596 2.173 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.290 -5.410 1.865 1.00 0.00 C ATOM 1164 CG ASP A 81 -16.168 -6.632 2.160 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -16.669 -6.756 3.302 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -16.385 -7.440 1.226 1.00 0.00 O ATOM 0 H ASP A 81 -13.429 -3.444 3.484 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.278 -5.472 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -15.882 -4.507 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.998 -5.431 0.815 1.00 0.00 H new ATOM 1170 N GLY A 82 -11.706 -6.136 2.343 1.00 0.00 N ATOM 1171 CA GLY A 82 -10.643 -7.056 1.908 1.00 0.00 C ATOM 1172 C GLY A 82 -10.527 -7.220 0.390 1.00 0.00 C ATOM 1173 O GLY A 82 -9.911 -8.183 -0.063 1.00 0.00 O ATOM 0 H GLY A 82 -11.356 -5.212 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.689 -6.698 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.822 -8.034 2.354 1.00 0.00 H new ATOM 1177 N ARG A 83 -11.116 -6.312 -0.399 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.115 -6.328 -1.864 1.00 0.00 C ATOM 1179 C ARG A 83 -10.775 -4.947 -2.421 1.00 0.00 C ATOM 1180 O ARG A 83 -11.041 -3.931 -1.787 1.00 0.00 O ATOM 1181 CB ARG A 83 -12.478 -6.792 -2.416 1.00 0.00 C ATOM 1182 CG ARG A 83 -12.742 -8.290 -2.240 1.00 0.00 C ATOM 1183 CD ARG A 83 -13.525 -8.585 -0.964 1.00 0.00 C ATOM 1184 NE ARG A 83 -13.585 -10.033 -0.703 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.489 -10.676 0.024 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -15.480 -10.070 0.640 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -14.408 -11.985 0.145 1.00 0.00 N ATOM 0 H ARG A 83 -11.626 -5.515 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.351 -7.037 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.270 -6.233 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.532 -6.546 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.296 -8.664 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.793 -8.825 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.056 -8.079 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.535 -8.186 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.853 -10.603 -1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.580 -9.057 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.149 -10.613 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.655 -12.494 -0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.098 -12.489 0.702 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.155 -4.904 -3.590 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.686 -3.664 -4.216 1.00 0.00 C ATOM 1200 C GLU A 84 -10.823 -2.675 -4.519 1.00 0.00 C ATOM 1201 O GLU A 84 -11.782 -3.014 -5.214 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.851 -3.984 -5.470 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.483 -2.737 -6.298 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.480 -3.022 -7.421 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.238 -4.202 -7.755 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.928 -2.063 -8.002 1.00 0.00 O ATOM 0 H GLU A 84 -9.958 -5.738 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.046 -3.157 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.936 -4.493 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.408 -4.678 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.391 -2.317 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.067 -1.980 -5.634 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.659 -1.439 -4.038 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.464 -0.254 -4.408 1.00 0.00 C ATOM 1213 C VAL A 85 -10.705 0.706 -5.335 1.00 0.00 C ATOM 1214 O VAL A 85 -11.336 1.475 -6.061 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.960 0.518 -3.166 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.049 -0.295 -2.461 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.865 0.858 -2.134 1.00 0.00 C ATOM 0 H VAL A 85 -9.936 -1.220 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.326 -0.644 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.335 1.468 -3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.399 0.250 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.882 -0.457 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.642 -1.257 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.308 1.399 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.410 -0.063 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.102 1.478 -2.604 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.369 0.643 -5.329 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.445 1.468 -6.112 1.00 0.00 C ATOM 1229 C ALA A 86 -7.008 0.971 -5.940 1.00 0.00 C ATOM 1230 O ALA A 86 -6.739 0.111 -5.104 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.549 2.919 -5.626 1.00 0.00 C ATOM 0 H ALA A 86 -8.874 -0.027 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.709 1.404 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.866 3.545 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.570 3.276 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.285 2.969 -4.570 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.070 1.609 -6.635 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.637 1.534 -6.357 1.00 0.00 C ATOM 1239 C ARG A 87 -3.913 2.789 -6.848 1.00 0.00 C ATOM 1240 O ARG A 87 -4.401 3.483 -7.743 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.050 0.244 -6.934 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.020 0.207 -8.464 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.331 -1.079 -8.905 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.224 -2.246 -8.819 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.924 -3.487 -9.181 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.739 -3.816 -9.657 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.819 -4.434 -9.080 1.00 0.00 N ATOM 0 H ARG A 87 -6.291 2.209 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.487 1.499 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.035 0.118 -6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.632 -0.603 -6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.033 0.250 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.487 1.075 -8.853 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.979 -0.967 -9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.452 -1.250 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.160 -2.086 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.015 -3.105 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.547 -4.781 -9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.750 -4.220 -8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.587 -5.387 -9.359 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.744 3.055 -6.274 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.822 4.096 -6.755 1.00 0.00 C ATOM 1260 C VAL A 88 -0.530 3.408 -7.211 1.00 0.00 C ATOM 1261 O VAL A 88 0.071 2.652 -6.448 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.548 5.146 -5.658 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.386 6.094 -6.001 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.775 6.013 -5.328 1.00 0.00 C ATOM 0 H VAL A 88 -2.401 2.554 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.267 4.634 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.283 4.543 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.246 6.807 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.528 5.515 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.615 6.632 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.515 6.730 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.094 6.548 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.587 5.376 -4.978 1.00 0.00 H new ATOM 1274 N VAL A 89 -0.135 3.677 -8.458 1.00 0.00 N ATOM 1275 CA VAL A 89 1.103 3.194 -9.091 1.00 0.00 C ATOM 1276 C VAL A 89 2.000 4.412 -9.344 1.00 0.00 C ATOM 1277 O VAL A 89 1.547 5.369 -9.970 1.00 0.00 O ATOM 1278 CB VAL A 89 0.808 2.477 -10.437 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.082 1.948 -11.113 1.00 0.00 C ATOM 1280 CG2 VAL A 89 -0.229 1.338 -10.308 1.00 0.00 C ATOM 0 H VAL A 89 -0.690 4.261 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 89 1.590 2.473 -8.435 1.00 0.00 H new ATOM 0 HB VAL A 89 0.374 3.249 -11.072 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.819 1.456 -12.049 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.758 2.779 -11.317 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.574 1.233 -10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.389 0.879 -11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.141 0.587 -9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.171 1.744 -9.939 1.00 0.00 H new ATOM 1290 N ARG A 90 3.246 4.385 -8.843 1.00 0.00 N ATOM 1291 CA ARG A 90 4.258 5.453 -9.003 1.00 0.00 C ATOM 1292 C ARG A 90 3.731 6.842 -8.527 1.00 0.00 C ATOM 1293 O ARG A 90 3.286 7.636 -9.369 1.00 0.00 O ATOM 1294 CB ARG A 90 4.770 5.483 -10.457 1.00 0.00 C ATOM 1295 CG ARG A 90 6.106 6.244 -10.525 1.00 0.00 C ATOM 1296 CD ARG A 90 6.614 6.365 -11.960 1.00 0.00 C ATOM 1297 NE ARG A 90 7.992 6.883 -11.964 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.390 8.119 -12.251 1.00 0.00 C ATOM 1299 NH1 ARG A 90 7.539 9.073 -12.570 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.671 8.415 -12.223 1.00 0.00 N ATOM 0 H ARG A 90 3.592 3.596 -8.297 1.00 0.00 H new ATOM 0 HA ARG A 90 5.103 5.222 -8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.901 4.466 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.034 5.964 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.980 7.239 -10.098 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.850 5.728 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.581 5.392 -12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.965 7.030 -12.529 1.00 0.00 H new ATOM 0 HE ARG A 90 8.725 6.218 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.539 8.874 -12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.880 10.010 -12.784 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.355 7.698 -11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.981 9.362 -12.442 1.00 0.00 H new ATOM 1311 N PRO A 91 3.751 7.161 -7.211 1.00 0.00 N ATOM 1312 CA PRO A 91 3.098 8.356 -6.667 1.00 0.00 C ATOM 1313 C PRO A 91 3.701 9.669 -7.185 1.00 0.00 C ATOM 1314 O PRO A 91 2.955 10.528 -7.652 1.00 0.00 O ATOM 1315 CB PRO A 91 3.207 8.235 -5.150 1.00 0.00 C ATOM 1316 CG PRO A 91 4.395 7.295 -4.921 1.00 0.00 C ATOM 1317 CD PRO A 91 4.318 6.363 -6.132 1.00 0.00 C ATOM 0 HA PRO A 91 2.059 8.400 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.375 9.207 -4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.292 7.830 -4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.340 7.837 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.305 6.749 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.306 5.988 -6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.695 5.495 -5.918 1.00 0.00 H new ATOM 1322 N GLY A 92 5.028 9.836 -7.117 1.00 0.00 N ATOM 1323 CA GLY A 92 5.745 11.010 -7.637 1.00 0.00 C ATOM 1324 C GLY A 92 5.645 12.245 -6.737 1.00 0.00 C ATOM 1325 O GLY A 92 6.668 12.816 -6.357 1.00 0.00 O ATOM 0 H GLY A 92 5.646 9.146 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.796 10.753 -7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.351 11.258 -8.623 1.00 0.00 H new ATOM 1329 N SER A 93 4.426 12.659 -6.391 1.00 0.00 N ATOM 1330 CA SER A 93 4.120 13.846 -5.582 1.00 0.00 C ATOM 1331 C SER A 93 2.898 13.611 -4.673 1.00 0.00 C ATOM 1332 O SER A 93 1.928 12.962 -5.085 1.00 0.00 O ATOM 1333 CB SER A 93 3.831 15.046 -6.501 1.00 0.00 C ATOM 1334 OG SER A 93 4.977 15.491 -7.214 1.00 0.00 O ATOM 0 H SER A 93 3.586 12.156 -6.678 1.00 0.00 H new ATOM 0 HA SER A 93 4.988 14.049 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.052 14.772 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.441 15.869 -5.902 1.00 0.00 H new ATOM 0 HG SER A 93 4.734 16.252 -7.782 1.00 0.00 H new ATOM 1339 N ALA A 94 2.908 14.171 -3.456 1.00 0.00 N ATOM 1340 CA ALA A 94 1.832 14.031 -2.468 1.00 0.00 C ATOM 1341 C ALA A 94 0.466 14.484 -3.000 1.00 0.00 C ATOM 1342 O ALA A 94 -0.546 13.918 -2.617 1.00 0.00 O ATOM 1343 CB ALA A 94 2.237 14.800 -1.205 1.00 0.00 C ATOM 0 H ALA A 94 3.682 14.747 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 94 1.705 12.974 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.450 14.709 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.165 14.387 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.384 15.852 -1.451 1.00 0.00 H new ATOM 1349 N SER A 95 0.423 15.404 -3.958 1.00 0.00 N ATOM 1350 CA SER A 95 -0.809 15.786 -4.659 1.00 0.00 C ATOM 1351 C SER A 95 -1.524 14.611 -5.358 1.00 0.00 C ATOM 1352 O SER A 95 -2.752 14.620 -5.432 1.00 0.00 O ATOM 1353 CB SER A 95 -0.476 16.880 -5.675 1.00 0.00 C ATOM 1354 OG SER A 95 0.587 16.469 -6.538 1.00 0.00 O ATOM 0 H SER A 95 1.247 15.913 -4.276 1.00 0.00 H new ATOM 0 HA SER A 95 -1.508 16.147 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.361 17.113 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.193 17.793 -5.152 1.00 0.00 H new ATOM 0 HG SER A 95 0.782 17.183 -7.180 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.795 13.576 -5.805 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.373 12.352 -6.396 1.00 0.00 C ATOM 1361 C VAL A 96 -1.775 11.363 -5.301 1.00 0.00 C ATOM 1362 O VAL A 96 -2.849 10.761 -5.373 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.351 11.688 -7.358 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.904 10.396 -7.989 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.065 12.643 -8.488 1.00 0.00 C ATOM 0 H VAL A 96 0.224 13.563 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.264 12.630 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 96 0.518 11.443 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.155 9.966 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.144 9.681 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.805 10.626 -8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.781 12.144 -9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.814 12.929 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.524 13.534 -8.061 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.935 11.201 -4.276 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.171 10.229 -3.205 1.00 0.00 C ATOM 1377 C LEU A 97 -2.311 10.670 -2.275 1.00 0.00 C ATOM 1378 O LEU A 97 -3.245 9.900 -2.052 1.00 0.00 O ATOM 1379 CB LEU A 97 0.154 9.974 -2.452 1.00 0.00 C ATOM 1380 CG LEU A 97 0.479 8.469 -2.382 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.822 8.218 -1.710 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.648 7.747 -1.654 1.00 0.00 C ATOM 0 H LEU A 97 -0.075 11.738 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.503 9.286 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.966 10.500 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.085 10.380 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 97 0.558 8.077 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.018 7.146 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.610 8.715 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.800 8.613 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.423 6.682 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.745 8.148 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.583 7.894 -2.194 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.286 11.917 -1.796 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.354 12.505 -0.986 1.00 0.00 C ATOM 1395 C GLU A 98 -4.710 12.465 -1.702 1.00 0.00 C ATOM 1396 O GLU A 98 -5.691 12.055 -1.082 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.016 13.958 -0.607 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.822 14.119 0.346 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.642 15.594 0.734 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -0.927 16.338 0.025 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.214 16.018 1.766 1.00 0.00 O ATOM 0 H GLU A 98 -1.509 12.556 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.430 11.902 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.811 14.518 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.894 14.411 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.979 13.517 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.915 13.749 -0.131 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.763 12.803 -3.001 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.983 12.765 -3.825 1.00 0.00 C ATOM 1408 C GLU A 99 -6.645 11.378 -3.837 1.00 0.00 C ATOM 1409 O GLU A 99 -7.873 11.267 -3.818 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.632 13.204 -5.255 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.740 12.940 -6.281 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.501 13.734 -7.579 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.931 14.911 -7.658 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.907 13.178 -8.534 1.00 0.00 O ATOM 0 H GLU A 99 -3.942 13.117 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.709 13.450 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.402 14.270 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.728 12.684 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.783 11.874 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.705 13.215 -5.856 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.845 10.317 -3.852 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.358 8.966 -3.729 1.00 0.00 C ATOM 1421 C ALA A 100 -6.778 8.651 -2.284 1.00 0.00 C ATOM 1422 O ALA A 100 -7.852 8.095 -2.074 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.292 8.011 -4.254 1.00 0.00 C ATOM 0 H ALA A 100 -4.831 10.373 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.265 8.850 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.651 6.985 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.080 8.241 -5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.381 8.124 -3.666 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.010 9.061 -1.270 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.307 8.729 0.124 1.00 0.00 C ATOM 1431 C PHE A 101 -7.672 9.281 0.540 1.00 0.00 C ATOM 1432 O PHE A 101 -8.514 8.520 1.020 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.204 9.231 1.059 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.221 8.149 1.481 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.282 7.618 0.569 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.241 7.661 2.804 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.375 6.636 0.995 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.343 6.661 3.220 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.403 6.162 2.309 1.00 0.00 C ATOM 0 H PHE A 101 -5.171 9.628 -1.392 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.344 7.643 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.657 10.033 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.662 9.661 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.262 7.967 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.956 8.061 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.648 6.243 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.378 6.282 4.231 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.697 5.408 2.624 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.931 10.569 0.284 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.247 11.170 0.553 1.00 0.00 C ATOM 1450 C GLU A 102 -10.373 10.480 -0.231 1.00 0.00 C ATOM 1451 O GLU A 102 -11.459 10.269 0.311 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.259 12.692 0.312 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.649 13.202 -0.991 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.340 14.469 -1.506 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.340 14.368 -2.255 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -8.894 15.586 -1.159 1.00 0.00 O ATOM 0 H GLU A 102 -7.248 11.217 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.438 11.008 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.294 13.032 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.733 13.168 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.590 13.407 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.716 12.422 -1.749 1.00 0.00 H new ATOM 1461 N SER A 103 -10.113 10.035 -1.460 1.00 0.00 N ATOM 1462 CA SER A 103 -11.122 9.358 -2.278 1.00 0.00 C ATOM 1463 C SER A 103 -11.508 7.975 -1.726 1.00 0.00 C ATOM 1464 O SER A 103 -12.672 7.576 -1.826 1.00 0.00 O ATOM 1465 CB SER A 103 -10.634 9.263 -3.732 1.00 0.00 C ATOM 1466 OG SER A 103 -11.655 8.787 -4.605 1.00 0.00 O ATOM 0 H SER A 103 -9.205 10.132 -1.915 1.00 0.00 H new ATOM 0 HA SER A 103 -12.031 9.958 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.298 10.244 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.773 8.597 -3.783 1.00 0.00 H new ATOM 0 HG SER A 103 -11.308 8.742 -5.520 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.565 7.253 -1.095 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.787 5.888 -0.596 1.00 0.00 C ATOM 1473 C LEU A 104 -11.099 5.839 0.903 1.00 0.00 C ATOM 1474 O LEU A 104 -11.759 4.903 1.346 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.585 4.988 -0.962 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.488 4.570 -2.450 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.858 4.294 -3.094 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.720 5.571 -3.320 1.00 0.00 C ATOM 0 H LEU A 104 -9.624 7.603 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.678 5.502 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.668 5.510 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.631 4.086 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.922 3.639 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.719 4.006 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.356 3.486 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.471 5.194 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.692 5.213 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.218 6.540 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.702 5.674 -2.944 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.702 6.852 1.670 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.111 7.027 3.076 1.00 0.00 C ATOM 1491 C VAL A 105 -12.580 7.483 3.186 1.00 0.00 C ATOM 1492 O VAL A 105 -13.216 7.252 4.210 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.147 8.000 3.797 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.591 9.465 3.714 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -9.951 7.616 5.259 1.00 0.00 C ATOM 0 H VAL A 105 -10.079 7.587 1.335 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.048 6.060 3.576 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.199 7.909 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.872 10.093 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.645 9.770 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.573 9.574 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.268 8.322 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.912 7.640 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.533 6.611 5.318 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.111 8.123 2.128 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.485 8.629 2.044 1.00 0.00 C ATOM 1507 C GLY A 106 -14.634 10.138 2.299 1.00 0.00 C ATOM 1508 O GLY A 106 -15.749 10.624 2.487 1.00 0.00 O ATOM 0 H GLY A 106 -12.573 8.306 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.881 8.401 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.100 8.091 2.765 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.529 10.888 2.293 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.461 12.345 2.461 1.00 0.00 C ATOM 1514 C GLU A 107 -13.335 13.081 1.109 1.00 0.00 C ATOM 1515 O GLU A 107 -13.007 14.268 1.077 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.269 12.665 3.387 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.524 12.317 4.861 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.506 13.297 5.527 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.098 14.435 5.850 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.676 12.919 5.759 1.00 0.00 O ATOM 0 H GLU A 107 -12.606 10.474 2.164 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.389 12.699 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.393 12.118 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.034 13.726 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.921 11.304 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.579 12.327 5.404 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.569 12.386 -0.015 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.226 12.831 -1.370 1.00 0.00 C ATOM 1527 C GLY A 108 -13.886 14.146 -1.771 1.00 0.00 C ATOM 1528 O GLY A 108 -15.109 14.290 -1.674 1.00 0.00 O ATOM 0 H GLY A 108 -14.017 11.470 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.144 12.941 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.517 12.058 -2.081 1.00 0.00 H new