USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 3 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 10 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.95) USER MOD Single : A 1 GLU N :NH3+ -109:sc= 0.122 (180deg=-0.101) USER MOD Single : A 7 SER OG : rot 180:sc= -0.51 USER MOD Single : A 9 ASN : amide:sc= -1.44! C(o=-1.4!,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0.667 (180deg=-0.961!) USER MOD Single : A 23 TYR OH : rot -174:sc= 0.429 USER MOD Single : A 25 HIS : no HD1:sc= -11! C(o=-11!,f=-7.8!) USER MOD Single : A 27 THR OG1 : rot 174:sc= 0.141 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.982! C(o=-0.98!,f=-0.11!) USER MOD Single : A 33 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.8!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -7.48! C(o=-7.5!,f=-3.2!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0572 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.198 -14.713 18.163 1.00 0.00 N ATOM 2 CA GLU A 1 1.186 -14.309 16.767 1.00 0.00 C ATOM 3 C GLU A 1 1.956 -12.999 16.588 1.00 0.00 C ATOM 4 O GLU A 1 2.228 -12.296 17.560 1.00 0.00 O ATOM 5 CB GLU A 1 -0.246 -14.179 16.246 1.00 0.00 C ATOM 6 CG GLU A 1 -0.905 -15.553 16.106 1.00 0.00 C ATOM 7 CD GLU A 1 -2.321 -15.426 15.539 1.00 0.00 C ATOM 8 OE1 GLU A 1 -3.141 -14.757 16.204 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.551 -16.002 14.453 1.00 0.00 O ATOM 0 H1 GLU A 1 1.809 -15.547 18.278 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.562 -13.933 18.747 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.231 -14.949 18.465 1.00 0.00 H new ATOM 0 HA GLU A 1 1.682 -15.083 16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -0.830 -13.559 16.927 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.241 -13.674 15.280 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.303 -16.184 15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.941 -16.044 17.079 1.00 0.00 H new ATOM 16 N GLU A 2 2.286 -12.711 15.337 1.00 0.00 N ATOM 17 CA GLU A 2 3.020 -11.498 15.017 1.00 0.00 C ATOM 18 C GLU A 2 2.603 -10.973 13.642 1.00 0.00 C ATOM 19 O GLU A 2 1.987 -11.694 12.859 1.00 0.00 O ATOM 20 CB GLU A 2 4.530 -11.738 15.079 1.00 0.00 C ATOM 21 CG GLU A 2 5.150 -11.024 16.281 1.00 0.00 C ATOM 22 CD GLU A 2 6.365 -11.792 16.808 1.00 0.00 C ATOM 23 OE1 GLU A 2 7.462 -11.564 16.255 1.00 0.00 O ATOM 24 OE2 GLU A 2 6.168 -12.588 17.750 1.00 0.00 O ATOM 0 H GLU A 2 2.059 -13.297 14.533 1.00 0.00 H new ATOM 0 HA GLU A 2 2.776 -10.741 15.762 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.729 -12.808 15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.996 -11.382 14.160 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.449 -10.015 15.995 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.407 -10.924 17.072 1.00 0.00 H new ATOM 31 N TYR A 3 2.956 -9.721 13.390 1.00 0.00 N ATOM 32 CA TYR A 3 2.627 -9.091 12.123 1.00 0.00 C ATOM 33 C TYR A 3 1.131 -9.210 11.824 1.00 0.00 C ATOM 34 O TYR A 3 0.647 -10.288 11.481 1.00 0.00 O ATOM 35 CB TYR A 3 3.411 -9.856 11.055 1.00 0.00 C ATOM 36 CG TYR A 3 2.938 -9.589 9.625 1.00 0.00 C ATOM 37 CD1 TYR A 3 3.315 -8.428 8.979 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.135 -10.507 8.980 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.871 -8.176 7.633 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.690 -10.255 7.634 1.00 0.00 C ATOM 41 CZ TYR A 3 2.080 -9.102 7.027 1.00 0.00 C ATOM 42 OH TYR A 3 1.660 -8.864 5.755 1.00 0.00 O ATOM 0 H TYR A 3 3.467 -9.126 14.042 1.00 0.00 H new ATOM 0 HA TYR A 3 2.877 -8.030 12.145 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.465 -9.591 11.133 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.335 -10.924 11.258 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.943 -7.709 9.484 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.840 -11.415 9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.159 -7.273 7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.061 -10.965 7.118 1.00 0.00 H new ATOM 0 HH TYR A 3 1.104 -9.610 5.449 1.00 0.00 H new ATOM 52 N VAL A 4 0.440 -8.088 11.965 1.00 0.00 N ATOM 53 CA VAL A 4 -0.990 -8.053 11.714 1.00 0.00 C ATOM 54 C VAL A 4 -1.511 -6.634 11.951 1.00 0.00 C ATOM 55 O VAL A 4 -1.897 -6.289 13.067 1.00 0.00 O ATOM 56 CB VAL A 4 -1.698 -9.101 12.575 1.00 0.00 C ATOM 57 CG1 VAL A 4 -1.266 -8.991 14.039 1.00 0.00 C ATOM 58 CG2 VAL A 4 -3.218 -8.985 12.442 1.00 0.00 C ATOM 0 H VAL A 4 0.845 -7.196 12.250 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.202 -8.308 10.675 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.404 -10.086 12.212 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.784 -9.747 14.629 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.190 -9.147 14.113 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.516 -8.000 14.419 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.696 -9.741 13.064 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.537 -7.994 12.766 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.505 -9.137 11.401 1.00 0.00 H new ATOM 68 N GLY A 5 -1.504 -5.850 10.883 1.00 0.00 N ATOM 69 CA GLY A 5 -1.971 -4.476 10.961 1.00 0.00 C ATOM 70 C GLY A 5 -1.017 -3.619 11.795 1.00 0.00 C ATOM 71 O GLY A 5 -1.323 -2.470 12.109 1.00 0.00 O ATOM 0 H GLY A 5 -1.183 -6.140 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.056 -4.060 9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.967 -4.451 11.402 1.00 0.00 H new ATOM 75 N LEU A 6 0.120 -4.212 12.131 1.00 0.00 N ATOM 76 CA LEU A 6 1.120 -3.517 12.923 1.00 0.00 C ATOM 77 C LEU A 6 1.496 -2.208 12.227 1.00 0.00 C ATOM 78 O LEU A 6 0.814 -1.776 11.299 1.00 0.00 O ATOM 79 CB LEU A 6 2.315 -4.432 13.198 1.00 0.00 C ATOM 80 CG LEU A 6 3.233 -4.714 12.007 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.419 -5.048 10.755 1.00 0.00 C ATOM 82 CD2 LEU A 6 4.197 -3.550 11.770 1.00 0.00 C ATOM 0 H LEU A 6 0.370 -5.166 11.869 1.00 0.00 H new ATOM 0 HA LEU A 6 0.717 -3.254 13.901 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.912 -3.987 13.994 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.939 -5.383 13.575 1.00 0.00 H new ATOM 0 HG LEU A 6 3.838 -5.590 12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.095 -5.244 9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.809 -5.931 10.943 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.772 -4.207 10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.838 -3.776 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.629 -2.643 11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.812 -3.401 12.657 1.00 0.00 H new ATOM 94 N SER A 7 2.580 -1.612 12.703 1.00 0.00 N ATOM 95 CA SER A 7 3.055 -0.360 12.138 1.00 0.00 C ATOM 96 C SER A 7 3.078 -0.451 10.611 1.00 0.00 C ATOM 97 O SER A 7 2.591 -1.423 10.035 1.00 0.00 O ATOM 98 CB SER A 7 4.445 -0.008 12.670 1.00 0.00 C ATOM 99 OG SER A 7 5.418 -0.984 12.307 1.00 0.00 O ATOM 0 H SER A 7 3.143 -1.973 13.473 1.00 0.00 H new ATOM 0 HA SER A 7 2.370 0.433 12.438 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.746 0.965 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.406 0.079 13.756 1.00 0.00 H new ATOM 0 HG SER A 7 6.293 -0.723 12.664 1.00 0.00 H new ATOM 105 N ALA A 8 3.649 0.576 9.998 1.00 0.00 N ATOM 106 CA ALA A 8 3.742 0.625 8.548 1.00 0.00 C ATOM 107 C ALA A 8 4.986 -0.143 8.095 1.00 0.00 C ATOM 108 O ALA A 8 5.694 0.295 7.190 1.00 0.00 O ATOM 109 CB ALA A 8 3.756 2.083 8.086 1.00 0.00 C ATOM 0 H ALA A 8 4.052 1.380 10.479 1.00 0.00 H new ATOM 0 HA ALA A 8 2.875 0.147 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.826 2.120 6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.838 2.575 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.614 2.595 8.522 1.00 0.00 H new ATOM 115 N ASN A 9 5.214 -1.274 8.746 1.00 0.00 N ATOM 116 CA ASN A 9 6.360 -2.106 8.422 1.00 0.00 C ATOM 117 C ASN A 9 6.245 -2.582 6.973 1.00 0.00 C ATOM 118 O ASN A 9 7.206 -2.500 6.210 1.00 0.00 O ATOM 119 CB ASN A 9 6.416 -3.341 9.323 1.00 0.00 C ATOM 120 CG ASN A 9 7.484 -4.324 8.839 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.449 -4.820 7.725 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.433 -4.578 9.736 1.00 0.00 N ATOM 0 H ASN A 9 4.624 -1.634 9.497 1.00 0.00 H new ATOM 0 HA ASN A 9 7.261 -1.511 8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.632 -3.039 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.443 -3.832 9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.191 -5.222 9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.403 -4.129 10.651 1.00 0.00 H new ATOM 129 N GLN A 10 5.060 -3.071 6.636 1.00 0.00 N ATOM 130 CA GLN A 10 4.806 -3.560 5.292 1.00 0.00 C ATOM 131 C GLN A 10 4.711 -2.391 4.310 1.00 0.00 C ATOM 132 O GLN A 10 4.976 -2.552 3.120 1.00 0.00 O ATOM 133 CB GLN A 10 3.539 -4.416 5.250 1.00 0.00 C ATOM 134 CG GLN A 10 2.334 -3.637 5.781 1.00 0.00 C ATOM 135 CD GLN A 10 1.670 -4.379 6.943 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.453 -5.579 6.904 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.361 -3.601 7.976 1.00 0.00 N ATOM 0 H GLN A 10 4.265 -3.139 7.271 1.00 0.00 H new ATOM 0 HA GLN A 10 5.642 -4.192 4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.347 -4.737 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.685 -5.318 5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.652 -2.648 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.611 -3.488 4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.570 -2.603 7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.915 -4.002 8.801 1.00 0.00 H new ATOM 146 N CYS A 11 4.332 -1.240 4.845 1.00 0.00 N ATOM 147 CA CYS A 11 4.199 -0.044 4.031 1.00 0.00 C ATOM 148 C CYS A 11 5.226 0.982 4.513 1.00 0.00 C ATOM 149 O CYS A 11 4.902 2.156 4.690 1.00 0.00 O ATOM 150 CB CYS A 11 2.774 0.513 4.072 1.00 0.00 C ATOM 151 SG CYS A 11 1.478 -0.724 4.447 1.00 0.00 S ATOM 0 H CYS A 11 4.113 -1.110 5.833 1.00 0.00 H new ATOM 0 HA CYS A 11 4.394 -0.289 2.987 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.729 1.304 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.550 0.972 3.109 1.00 0.00 H new ATOM 156 N ALA A 12 6.446 0.503 4.711 1.00 0.00 N ATOM 157 CA ALA A 12 7.523 1.364 5.169 1.00 0.00 C ATOM 158 C ALA A 12 8.534 1.554 4.037 1.00 0.00 C ATOM 159 O ALA A 12 9.739 1.419 4.246 1.00 0.00 O ATOM 160 CB ALA A 12 8.159 0.763 6.424 1.00 0.00 C ATOM 0 H ALA A 12 6.712 -0.470 4.562 1.00 0.00 H new ATOM 0 HA ALA A 12 7.140 2.348 5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.967 1.409 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.406 0.676 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.558 -0.225 6.193 1.00 0.00 H new ATOM 166 N VAL A 13 8.007 1.865 2.861 1.00 0.00 N ATOM 167 CA VAL A 13 8.849 2.074 1.696 1.00 0.00 C ATOM 168 C VAL A 13 9.276 3.543 1.638 1.00 0.00 C ATOM 169 O VAL A 13 8.531 4.427 2.058 1.00 0.00 O ATOM 170 CB VAL A 13 8.118 1.615 0.433 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.080 0.924 -0.537 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.942 0.701 0.782 1.00 0.00 C ATOM 0 H VAL A 13 7.008 1.977 2.691 1.00 0.00 H new ATOM 0 HA VAL A 13 9.756 1.473 1.768 1.00 0.00 H new ATOM 0 HB VAL A 13 7.719 2.500 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.535 0.608 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.869 1.619 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.521 0.053 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.439 0.389 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.309 -0.178 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.238 1.240 1.417 1.00 0.00 H new ATOM 182 N PRO A 14 10.506 3.763 1.102 1.00 0.00 N ATOM 183 CA PRO A 14 11.042 5.108 0.984 1.00 0.00 C ATOM 184 C PRO A 14 10.368 5.868 -0.161 1.00 0.00 C ATOM 185 O PRO A 14 10.717 7.014 -0.440 1.00 0.00 O ATOM 186 CB PRO A 14 12.535 4.920 0.775 1.00 0.00 C ATOM 187 CG PRO A 14 12.715 3.481 0.319 1.00 0.00 C ATOM 188 CD PRO A 14 11.417 2.740 0.595 1.00 0.00 C ATOM 0 HA PRO A 14 10.851 5.716 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.915 5.617 0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.085 5.109 1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.957 3.444 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.543 3.012 0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.026 2.275 -0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.563 1.943 1.325 1.00 0.00 H new ATOM 196 N ALA A 15 9.415 5.199 -0.793 1.00 0.00 N ATOM 197 CA ALA A 15 8.690 5.796 -1.901 1.00 0.00 C ATOM 198 C ALA A 15 9.436 5.513 -3.206 1.00 0.00 C ATOM 199 O ALA A 15 8.863 5.617 -4.289 1.00 0.00 O ATOM 200 CB ALA A 15 8.510 7.294 -1.645 1.00 0.00 C ATOM 0 H ALA A 15 9.128 4.249 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 15 7.696 5.358 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.966 7.742 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.948 7.441 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.488 7.768 -1.554 1.00 0.00 H new ATOM 206 N LYS A 16 10.705 5.161 -3.059 1.00 0.00 N ATOM 207 CA LYS A 16 11.537 4.861 -4.213 1.00 0.00 C ATOM 208 C LYS A 16 11.521 3.353 -4.470 1.00 0.00 C ATOM 209 O LYS A 16 12.320 2.846 -5.255 1.00 0.00 O ATOM 210 CB LYS A 16 12.941 5.439 -4.026 1.00 0.00 C ATOM 211 CG LYS A 16 13.615 4.850 -2.785 1.00 0.00 C ATOM 212 CD LYS A 16 13.855 3.348 -2.952 1.00 0.00 C ATOM 213 CE LYS A 16 15.023 2.880 -2.081 1.00 0.00 C ATOM 214 NZ LYS A 16 14.915 1.430 -1.806 1.00 0.00 N ATOM 0 H LYS A 16 11.177 5.077 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 16 11.137 5.341 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.546 5.227 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.882 6.523 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.564 5.356 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.991 5.027 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.953 2.800 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.064 3.123 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.967 3.092 -2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.030 3.435 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.217 1.238 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.928 1.126 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.524 0.905 -2.466 1.00 0.00 H new ATOM 228 N ASP A 17 10.603 2.679 -3.793 1.00 0.00 N ATOM 229 CA ASP A 17 10.473 1.239 -3.938 1.00 0.00 C ATOM 230 C ASP A 17 8.992 0.875 -4.061 1.00 0.00 C ATOM 231 O ASP A 17 8.618 -0.284 -3.888 1.00 0.00 O ATOM 232 CB ASP A 17 11.040 0.509 -2.719 1.00 0.00 C ATOM 233 CG ASP A 17 12.269 -0.357 -2.997 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.276 -1.006 -4.066 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.175 -0.352 -2.136 1.00 0.00 O ATOM 0 H ASP A 17 9.942 3.104 -3.142 1.00 0.00 H new ATOM 0 HA ASP A 17 11.026 0.938 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.299 1.248 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.258 -0.122 -2.296 1.00 0.00 H new ATOM 240 N ARG A 18 8.190 1.886 -4.359 1.00 0.00 N ATOM 241 CA ARG A 18 6.758 1.687 -4.507 1.00 0.00 C ATOM 242 C ARG A 18 6.451 1.020 -5.850 1.00 0.00 C ATOM 243 O ARG A 18 6.363 1.693 -6.876 1.00 0.00 O ATOM 244 CB ARG A 18 6.005 3.016 -4.423 1.00 0.00 C ATOM 245 CG ARG A 18 6.542 3.878 -3.278 1.00 0.00 C ATOM 246 CD ARG A 18 6.268 3.223 -1.923 1.00 0.00 C ATOM 247 NE ARG A 18 6.269 4.248 -0.855 1.00 0.00 N ATOM 248 CZ ARG A 18 5.410 5.274 -0.799 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.476 5.419 -1.748 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.485 6.156 0.207 1.00 0.00 N ATOM 0 H ARG A 18 8.504 2.846 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 18 6.427 1.043 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.104 3.554 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.942 2.827 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.614 4.028 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.076 4.863 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.306 2.711 -1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.026 2.468 -1.715 1.00 0.00 H new ATOM 0 HE ARG A 18 6.967 4.168 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.419 4.748 -2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.822 6.201 -1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.196 6.046 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.831 6.938 0.250 1.00 0.00 H new ATOM 264 N VAL A 19 6.297 -0.295 -5.799 1.00 0.00 N ATOM 265 CA VAL A 19 6.002 -1.061 -6.998 1.00 0.00 C ATOM 266 C VAL A 19 4.653 -0.613 -7.565 1.00 0.00 C ATOM 267 O VAL A 19 4.321 -0.927 -8.707 1.00 0.00 O ATOM 268 CB VAL A 19 6.053 -2.558 -6.689 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.736 -3.387 -7.935 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.409 -2.951 -6.100 1.00 0.00 C ATOM 0 H VAL A 19 6.371 -0.849 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 19 6.755 -0.876 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 19 5.289 -2.771 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.779 -4.448 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.737 -3.138 -8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.466 -3.167 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.418 -4.020 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.198 -2.715 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.578 -2.398 -5.176 1.00 0.00 H new ATOM 280 N ASP A 20 3.913 0.114 -6.741 1.00 0.00 N ATOM 281 CA ASP A 20 2.608 0.609 -7.146 1.00 0.00 C ATOM 282 C ASP A 20 1.734 -0.569 -7.581 1.00 0.00 C ATOM 283 O ASP A 20 1.998 -1.197 -8.606 1.00 0.00 O ATOM 284 CB ASP A 20 2.727 1.572 -8.328 1.00 0.00 C ATOM 285 CG ASP A 20 1.418 1.849 -9.071 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.365 1.806 -8.399 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.500 2.097 -10.293 1.00 0.00 O ATOM 0 H ASP A 20 4.192 0.372 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 20 2.167 1.133 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.130 2.518 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.450 1.167 -9.036 1.00 0.00 H new ATOM 292 N CYS A 21 0.711 -0.833 -6.782 1.00 0.00 N ATOM 293 CA CYS A 21 -0.203 -1.925 -7.072 1.00 0.00 C ATOM 294 C CYS A 21 -1.272 -1.411 -8.038 1.00 0.00 C ATOM 295 O CYS A 21 -2.012 -2.199 -8.626 1.00 0.00 O ATOM 296 CB CYS A 21 -0.817 -2.502 -5.795 1.00 0.00 C ATOM 297 SG CYS A 21 -0.686 -1.423 -4.323 1.00 0.00 S ATOM 0 H CYS A 21 0.495 -0.310 -5.934 1.00 0.00 H new ATOM 0 HA CYS A 21 0.342 -2.746 -7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.870 -2.715 -5.979 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.333 -3.454 -5.574 1.00 0.00 H new ATOM 302 N GLY A 22 -1.320 -0.094 -8.172 1.00 0.00 N ATOM 303 CA GLY A 22 -2.287 0.534 -9.056 1.00 0.00 C ATOM 304 C GLY A 22 -3.705 0.406 -8.497 1.00 0.00 C ATOM 305 O GLY A 22 -4.323 -0.653 -8.596 1.00 0.00 O ATOM 0 H GLY A 22 -0.705 0.556 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.037 1.587 -9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.238 0.072 -10.042 1.00 0.00 H new ATOM 309 N TYR A 23 -4.181 1.501 -7.923 1.00 0.00 N ATOM 310 CA TYR A 23 -5.515 1.525 -7.348 1.00 0.00 C ATOM 311 C TYR A 23 -6.202 2.867 -7.611 1.00 0.00 C ATOM 312 O TYR A 23 -5.551 3.911 -7.618 1.00 0.00 O ATOM 313 CB TYR A 23 -5.328 1.349 -5.840 1.00 0.00 C ATOM 314 CG TYR A 23 -5.259 -0.110 -5.387 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.410 -0.870 -5.329 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.046 -0.668 -5.037 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.345 -2.244 -4.904 1.00 0.00 C ATOM 318 CE2 TYR A 23 -3.981 -2.042 -4.611 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.134 -2.762 -4.565 1.00 0.00 C ATOM 320 OH TYR A 23 -5.072 -4.060 -4.163 1.00 0.00 O ATOM 0 H TYR A 23 -3.667 2.378 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.135 0.743 -7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.412 1.857 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.152 1.841 -5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.359 -0.434 -5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.145 -0.074 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.238 -2.850 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.038 -2.491 -4.334 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.162 -4.266 -3.863 1.00 0.00 H new ATOM 330 N PRO A 24 -7.543 2.794 -7.828 1.00 0.00 N ATOM 331 CA PRO A 24 -8.324 3.990 -8.091 1.00 0.00 C ATOM 332 C PRO A 24 -8.540 4.797 -6.810 1.00 0.00 C ATOM 333 O PRO A 24 -7.792 5.732 -6.527 1.00 0.00 O ATOM 334 CB PRO A 24 -9.622 3.485 -8.701 1.00 0.00 C ATOM 335 CG PRO A 24 -9.712 2.014 -8.331 1.00 0.00 C ATOM 336 CD PRO A 24 -8.347 1.575 -7.828 1.00 0.00 C ATOM 0 HA PRO A 24 -7.822 4.680 -8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.477 4.038 -8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.622 3.616 -9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.470 1.859 -7.563 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.009 1.420 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.413 1.144 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.912 0.814 -8.476 1.00 0.00 H new ATOM 344 N HIS A 25 -9.567 4.407 -6.069 1.00 0.00 N ATOM 345 CA HIS A 25 -9.891 5.083 -4.824 1.00 0.00 C ATOM 346 C HIS A 25 -8.962 4.587 -3.714 1.00 0.00 C ATOM 347 O HIS A 25 -9.341 3.728 -2.919 1.00 0.00 O ATOM 348 CB HIS A 25 -11.372 4.908 -4.480 1.00 0.00 C ATOM 349 CG HIS A 25 -11.716 3.547 -3.922 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.823 3.323 -3.122 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.088 2.344 -4.056 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.850 2.040 -2.795 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.774 1.434 -3.375 1.00 0.00 N ATOM 0 H HIS A 25 -10.186 3.632 -6.307 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.728 6.155 -4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.659 5.670 -3.755 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.966 5.082 -5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.185 2.162 -4.621 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.593 1.558 -2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.536 0.445 -3.298 1.00 0.00 H new ATOM 362 N VAL A 26 -7.763 5.150 -3.695 1.00 0.00 N ATOM 363 CA VAL A 26 -6.776 4.776 -2.696 1.00 0.00 C ATOM 364 C VAL A 26 -6.939 5.670 -1.465 1.00 0.00 C ATOM 365 O VAL A 26 -7.128 6.879 -1.593 1.00 0.00 O ATOM 366 CB VAL A 26 -5.371 4.838 -3.299 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.188 3.763 -4.373 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.076 6.230 -3.860 1.00 0.00 C ATOM 0 H VAL A 26 -7.452 5.863 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.931 3.747 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.655 4.640 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.181 3.829 -4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.335 2.778 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.917 3.916 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.071 6.247 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.801 6.470 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.145 6.967 -3.060 1.00 0.00 H new ATOM 378 N THR A 27 -6.858 5.042 -0.302 1.00 0.00 N ATOM 379 CA THR A 27 -6.994 5.766 0.951 1.00 0.00 C ATOM 380 C THR A 27 -6.181 5.083 2.052 1.00 0.00 C ATOM 381 O THR A 27 -5.647 3.993 1.850 1.00 0.00 O ATOM 382 CB THR A 27 -8.486 5.874 1.275 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.793 4.637 1.913 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.359 5.873 0.019 1.00 0.00 C ATOM 0 H THR A 27 -6.700 4.039 -0.200 1.00 0.00 H new ATOM 0 HA THR A 27 -6.590 6.775 0.871 1.00 0.00 H new ATOM 0 HB THR A 27 -8.669 6.786 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.715 4.660 2.244 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.408 5.951 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.090 6.721 -0.612 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.202 4.946 -0.533 1.00 0.00 H new ATOM 392 N PRO A 28 -6.110 5.770 3.224 1.00 0.00 N ATOM 393 CA PRO A 28 -5.371 5.241 4.358 1.00 0.00 C ATOM 394 C PRO A 28 -6.140 4.103 5.031 1.00 0.00 C ATOM 395 O PRO A 28 -6.155 4.000 6.257 1.00 0.00 O ATOM 396 CB PRO A 28 -5.151 6.434 5.274 1.00 0.00 C ATOM 397 CG PRO A 28 -6.169 7.480 4.849 1.00 0.00 C ATOM 398 CD PRO A 28 -6.729 7.063 3.499 1.00 0.00 C ATOM 0 HA PRO A 28 -4.419 4.796 4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.290 6.155 6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.135 6.817 5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.968 7.557 5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.702 8.462 4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.816 6.983 3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.484 7.792 2.726 1.00 0.00 H new ATOM 406 N LYS A 29 -6.760 3.278 4.201 1.00 0.00 N ATOM 407 CA LYS A 29 -7.530 2.152 4.701 1.00 0.00 C ATOM 408 C LYS A 29 -8.102 1.366 3.520 1.00 0.00 C ATOM 409 O LYS A 29 -7.893 0.159 3.412 1.00 0.00 O ATOM 410 CB LYS A 29 -8.591 2.627 5.696 1.00 0.00 C ATOM 411 CG LYS A 29 -8.909 1.536 6.721 1.00 0.00 C ATOM 412 CD LYS A 29 -9.884 0.508 6.143 1.00 0.00 C ATOM 413 CE LYS A 29 -11.334 0.934 6.382 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.846 0.346 7.640 1.00 0.00 N ATOM 0 H LYS A 29 -6.745 3.367 3.185 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.888 1.469 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.239 3.522 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.499 2.904 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.988 1.038 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.338 1.987 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.706 0.394 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.707 -0.465 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.397 2.021 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.956 0.615 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.831 0.645 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.804 -0.691 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.263 0.671 8.438 1.00 0.00 H new ATOM 428 N GLU A 30 -8.814 2.083 2.663 1.00 0.00 N ATOM 429 CA GLU A 30 -9.419 1.468 1.493 1.00 0.00 C ATOM 430 C GLU A 30 -8.339 0.862 0.595 1.00 0.00 C ATOM 431 O GLU A 30 -8.484 -0.262 0.115 1.00 0.00 O ATOM 432 CB GLU A 30 -10.271 2.478 0.721 1.00 0.00 C ATOM 433 CG GLU A 30 -11.174 1.772 -0.292 1.00 0.00 C ATOM 434 CD GLU A 30 -12.646 2.107 -0.042 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.955 3.318 -0.015 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.428 1.145 0.118 1.00 0.00 O ATOM 0 H GLU A 30 -8.986 3.084 2.755 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.078 0.667 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.880 3.053 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.623 3.186 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.896 2.071 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.027 0.694 -0.227 1.00 0.00 H new ATOM 443 N CYS A 31 -7.280 1.632 0.394 1.00 0.00 N ATOM 444 CA CYS A 31 -6.176 1.185 -0.439 1.00 0.00 C ATOM 445 C CYS A 31 -5.544 -0.042 0.221 1.00 0.00 C ATOM 446 O CYS A 31 -5.088 -0.955 -0.466 1.00 0.00 O ATOM 447 CB CYS A 31 -5.154 2.299 -0.670 1.00 0.00 C ATOM 448 SG CYS A 31 -3.446 1.721 -0.982 1.00 0.00 S ATOM 0 H CYS A 31 -7.163 2.563 0.794 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.548 0.914 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.479 2.901 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.148 2.953 0.202 1.00 0.00 H new ATOM 453 N ASN A 32 -5.536 -0.024 1.546 1.00 0.00 N ATOM 454 CA ASN A 32 -4.967 -1.124 2.306 1.00 0.00 C ATOM 455 C ASN A 32 -6.059 -2.154 2.601 1.00 0.00 C ATOM 456 O ASN A 32 -5.800 -3.173 3.239 1.00 0.00 O ATOM 457 CB ASN A 32 -4.403 -0.636 3.642 1.00 0.00 C ATOM 458 CG ASN A 32 -4.070 -1.815 4.559 1.00 0.00 C ATOM 459 OD1 ASN A 32 -3.437 -2.781 4.167 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.531 -1.682 5.800 1.00 0.00 N ATOM 0 H ASN A 32 -5.915 0.735 2.113 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.164 -1.563 1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.506 -0.042 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.127 0.016 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.361 -2.415 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.054 -0.847 6.063 1.00 0.00 H new ATOM 467 N ASN A 33 -7.257 -1.852 2.122 1.00 0.00 N ATOM 468 CA ASN A 33 -8.390 -2.739 2.326 1.00 0.00 C ATOM 469 C ASN A 33 -8.587 -3.603 1.079 1.00 0.00 C ATOM 470 O ASN A 33 -8.934 -4.778 1.182 1.00 0.00 O ATOM 471 CB ASN A 33 -9.676 -1.944 2.559 1.00 0.00 C ATOM 472 CG ASN A 33 -10.846 -2.876 2.883 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.971 -3.966 2.348 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.692 -2.389 3.785 1.00 0.00 N ATOM 0 H ASN A 33 -7.468 -1.006 1.593 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.183 -3.355 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.529 -1.240 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.910 -1.356 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.505 -2.935 4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.528 -1.469 4.194 1.00 0.00 H new ATOM 481 N ARG A 34 -8.358 -2.986 -0.071 1.00 0.00 N ATOM 482 CA ARG A 34 -8.506 -3.684 -1.337 1.00 0.00 C ATOM 483 C ARG A 34 -7.474 -4.809 -1.447 1.00 0.00 C ATOM 484 O ARG A 34 -7.661 -5.754 -2.211 1.00 0.00 O ATOM 485 CB ARG A 34 -8.334 -2.726 -2.517 1.00 0.00 C ATOM 486 CG ARG A 34 -9.270 -3.101 -3.668 1.00 0.00 C ATOM 487 CD ARG A 34 -8.976 -4.514 -4.176 1.00 0.00 C ATOM 488 NE ARG A 34 -9.553 -4.697 -5.527 1.00 0.00 N ATOM 489 CZ ARG A 34 -9.163 -5.646 -6.388 1.00 0.00 C ATOM 490 NH1 ARG A 34 -8.194 -6.505 -6.045 1.00 0.00 N ATOM 491 NH2 ARG A 34 -9.744 -5.738 -7.593 1.00 0.00 N ATOM 0 H ARG A 34 -8.071 -2.011 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.511 -4.104 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.539 -1.705 -2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.300 -2.750 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.306 -3.039 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.154 -2.386 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.899 -4.682 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.395 -5.250 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.294 -4.060 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.753 -6.437 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.897 -7.228 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.483 -5.085 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.447 -6.461 -8.249 1.00 0.00 H new ATOM 505 N GLY A 35 -6.409 -4.669 -0.672 1.00 0.00 N ATOM 506 CA GLY A 35 -5.347 -5.661 -0.673 1.00 0.00 C ATOM 507 C GLY A 35 -4.028 -5.053 -1.152 1.00 0.00 C ATOM 508 O GLY A 35 -3.590 -5.314 -2.271 1.00 0.00 O ATOM 0 H GLY A 35 -6.258 -3.884 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.221 -6.065 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.623 -6.494 -1.320 1.00 0.00 H new ATOM 512 N CYS A 36 -3.432 -4.252 -0.281 1.00 0.00 N ATOM 513 CA CYS A 36 -2.171 -3.604 -0.601 1.00 0.00 C ATOM 514 C CYS A 36 -1.821 -2.644 0.537 1.00 0.00 C ATOM 515 O CYS A 36 -2.283 -2.818 1.664 1.00 0.00 O ATOM 516 CB CYS A 36 -2.230 -2.889 -1.953 1.00 0.00 C ATOM 517 SG CYS A 36 -0.816 -3.231 -3.064 1.00 0.00 S ATOM 0 H CYS A 36 -3.799 -4.037 0.646 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.387 -4.355 -0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.151 -3.177 -2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.285 -1.815 -1.778 1.00 0.00 H new ATOM 522 N CYS A 37 -1.009 -1.652 0.204 1.00 0.00 N ATOM 523 CA CYS A 37 -0.592 -0.664 1.185 1.00 0.00 C ATOM 524 C CYS A 37 -0.902 0.726 0.627 1.00 0.00 C ATOM 525 O CYS A 37 -0.894 0.929 -0.586 1.00 0.00 O ATOM 526 CB CYS A 37 0.887 -0.817 1.548 1.00 0.00 C ATOM 527 SG CYS A 37 1.223 -1.972 2.927 1.00 0.00 S ATOM 0 H CYS A 37 -0.628 -1.511 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.143 -0.813 2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.430 -1.158 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.286 0.163 1.808 1.00 0.00 H new ATOM 532 N PHE A 38 -1.169 1.649 1.540 1.00 0.00 N ATOM 533 CA PHE A 38 -1.481 3.014 1.155 1.00 0.00 C ATOM 534 C PHE A 38 -0.422 3.987 1.678 1.00 0.00 C ATOM 535 O PHE A 38 0.479 3.592 2.416 1.00 0.00 O ATOM 536 CB PHE A 38 -2.831 3.360 1.788 1.00 0.00 C ATOM 537 CG PHE A 38 -3.234 4.828 1.631 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.903 5.234 0.519 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.923 5.726 2.604 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.277 6.596 0.374 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.297 7.088 2.458 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.966 7.494 1.346 1.00 0.00 C ATOM 0 H PHE A 38 -1.175 1.477 2.545 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.508 3.097 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.602 2.732 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.796 3.115 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.150 4.521 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.392 5.403 3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.809 6.919 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.050 7.802 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.250 8.530 1.235 1.00 0.00 H new ATOM 552 N ASP A 39 -0.566 5.241 1.275 1.00 0.00 N ATOM 553 CA ASP A 39 0.366 6.274 1.694 1.00 0.00 C ATOM 554 C ASP A 39 -0.084 7.622 1.128 1.00 0.00 C ATOM 555 O ASP A 39 -0.599 7.690 0.013 1.00 0.00 O ATOM 556 CB ASP A 39 1.775 5.988 1.170 1.00 0.00 C ATOM 557 CG ASP A 39 2.761 7.151 1.300 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.282 7.331 2.422 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.973 7.833 0.274 1.00 0.00 O ATOM 0 H ASP A 39 -1.314 5.565 0.662 1.00 0.00 H new ATOM 0 HA ASP A 39 0.382 6.292 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.178 5.128 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.706 5.706 0.119 1.00 0.00 H new ATOM 564 N SER A 40 0.126 8.661 1.922 1.00 0.00 N ATOM 565 CA SER A 40 -0.252 10.004 1.514 1.00 0.00 C ATOM 566 C SER A 40 0.884 10.982 1.818 1.00 0.00 C ATOM 567 O SER A 40 0.695 12.196 1.758 1.00 0.00 O ATOM 568 CB SER A 40 -1.538 10.450 2.213 1.00 0.00 C ATOM 569 OG SER A 40 -1.377 10.530 3.627 1.00 0.00 O ATOM 0 H SER A 40 0.553 8.601 2.846 1.00 0.00 H new ATOM 0 HA SER A 40 -0.438 9.996 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.842 11.423 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.340 9.750 1.978 1.00 0.00 H new ATOM 0 HG SER A 40 -2.219 10.819 4.036 1.00 0.00 H new ATOM 575 N ARG A 41 2.039 10.418 2.137 1.00 0.00 N ATOM 576 CA ARG A 41 3.206 11.225 2.450 1.00 0.00 C ATOM 577 C ARG A 41 3.551 12.138 1.272 1.00 0.00 C ATOM 578 O ARG A 41 3.745 13.339 1.448 1.00 0.00 O ATOM 579 CB ARG A 41 4.414 10.345 2.776 1.00 0.00 C ATOM 580 CG ARG A 41 5.272 10.976 3.875 1.00 0.00 C ATOM 581 CD ARG A 41 6.592 11.501 3.306 1.00 0.00 C ATOM 582 NE ARG A 41 7.215 12.445 4.260 1.00 0.00 N ATOM 583 CZ ARG A 41 7.774 12.079 5.422 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.792 10.788 5.780 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.316 13.005 6.225 1.00 0.00 N ATOM 0 H ARG A 41 2.192 9.411 2.186 1.00 0.00 H new ATOM 0 HA ARG A 41 2.966 11.830 3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.075 9.360 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.015 10.200 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.724 11.793 4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.474 10.239 4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.269 10.670 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.414 11.999 2.353 1.00 0.00 H new ATOM 0 HE ARG A 41 7.219 13.436 4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.380 10.083 5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.217 10.510 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.303 13.988 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.742 12.727 7.109 1.00 0.00 H new ATOM 599 N ILE A 42 3.619 11.531 0.095 1.00 0.00 N ATOM 600 CA ILE A 42 3.938 12.274 -1.112 1.00 0.00 C ATOM 601 C ILE A 42 3.133 11.706 -2.283 1.00 0.00 C ATOM 602 O ILE A 42 3.052 10.491 -2.453 1.00 0.00 O ATOM 603 CB ILE A 42 5.449 12.283 -1.352 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.124 11.107 -0.644 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.061 13.625 -0.944 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.599 9.772 -1.177 1.00 0.00 C ATOM 0 H ILE A 42 3.459 10.534 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 42 3.649 13.319 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 42 5.626 12.160 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.203 11.161 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.943 11.171 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.136 13.605 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.609 14.424 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.875 13.803 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.095 8.952 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.524 9.711 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.804 9.701 -2.245 1.00 0.00 H new ATOM 618 N PRO A 43 2.543 12.637 -3.080 1.00 0.00 N ATOM 619 CA PRO A 43 1.747 12.242 -4.229 1.00 0.00 C ATOM 620 C PRO A 43 2.641 11.773 -5.380 1.00 0.00 C ATOM 621 O PRO A 43 2.275 10.864 -6.124 1.00 0.00 O ATOM 622 CB PRO A 43 0.924 13.471 -4.580 1.00 0.00 C ATOM 623 CG PRO A 43 1.623 14.644 -3.913 1.00 0.00 C ATOM 624 CD PRO A 43 2.618 14.085 -2.908 1.00 0.00 C ATOM 0 HA PRO A 43 1.098 11.392 -4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.871 13.610 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.100 13.371 -4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.134 15.256 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.898 15.287 -3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.625 14.455 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.360 14.377 -1.890 1.00 0.00 H new ATOM 632 N GLY A 44 3.795 12.413 -5.489 1.00 0.00 N ATOM 633 CA GLY A 44 4.744 12.073 -6.535 1.00 0.00 C ATOM 634 C GLY A 44 4.801 10.560 -6.753 1.00 0.00 C ATOM 635 O GLY A 44 4.758 10.090 -7.889 1.00 0.00 O ATOM 0 H GLY A 44 4.095 13.166 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.459 12.567 -7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.734 12.443 -6.267 1.00 0.00 H new ATOM 639 N VAL A 45 4.898 9.838 -5.646 1.00 0.00 N ATOM 640 CA VAL A 45 4.962 8.388 -5.701 1.00 0.00 C ATOM 641 C VAL A 45 3.542 7.818 -5.692 1.00 0.00 C ATOM 642 O VAL A 45 2.577 8.550 -5.477 1.00 0.00 O ATOM 643 CB VAL A 45 5.826 7.858 -4.554 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.916 8.864 -4.178 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.966 7.502 -3.339 1.00 0.00 C ATOM 0 H VAL A 45 4.934 10.231 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 45 5.437 8.062 -6.626 1.00 0.00 H new ATOM 0 HB VAL A 45 6.315 6.946 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.515 8.463 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.556 9.047 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.454 9.800 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.604 7.128 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.436 8.390 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.244 6.734 -3.617 1.00 0.00 H new ATOM 655 N PRO A 46 3.457 6.483 -5.935 1.00 0.00 N ATOM 656 CA PRO A 46 2.171 5.807 -5.958 1.00 0.00 C ATOM 657 C PRO A 46 1.625 5.619 -4.540 1.00 0.00 C ATOM 658 O PRO A 46 1.903 4.611 -3.893 1.00 0.00 O ATOM 659 CB PRO A 46 2.430 4.491 -6.673 1.00 0.00 C ATOM 660 CG PRO A 46 3.934 4.273 -6.613 1.00 0.00 C ATOM 661 CD PRO A 46 4.578 5.585 -6.194 1.00 0.00 C ATOM 0 HA PRO A 46 1.403 6.382 -6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.897 3.672 -6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.082 4.532 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.177 3.484 -5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.313 3.955 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.196 5.457 -5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.226 5.976 -6.979 1.00 0.00 H new ATOM 669 N TRP A 47 0.859 6.606 -4.100 1.00 0.00 N ATOM 670 CA TRP A 47 0.272 6.563 -2.771 1.00 0.00 C ATOM 671 C TRP A 47 0.059 5.095 -2.397 1.00 0.00 C ATOM 672 O TRP A 47 0.554 4.634 -1.370 1.00 0.00 O ATOM 673 CB TRP A 47 -1.015 7.388 -2.713 1.00 0.00 C ATOM 674 CG TRP A 47 -0.799 8.851 -2.322 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.302 9.596 -2.490 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.759 9.722 -1.687 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.123 10.878 -2.011 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.170 10.957 -1.507 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.080 9.474 -1.277 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.828 12.041 -0.915 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.725 10.568 -0.686 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.146 11.817 -0.499 1.00 0.00 C ATOM 0 H TRP A 47 0.631 7.441 -4.640 1.00 0.00 H new ATOM 0 HA TRP A 47 0.940 7.016 -2.039 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.502 7.351 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.697 6.928 -1.998 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.215 9.238 -2.943 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.813 11.629 -2.024 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.560 8.515 -1.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.345 12.998 -0.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.743 10.431 -0.353 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.710 12.612 -0.035 1.00 0.00 H new ATOM 693 N CYS A 48 -0.679 4.400 -3.251 1.00 0.00 N ATOM 694 CA CYS A 48 -0.964 2.994 -3.023 1.00 0.00 C ATOM 695 C CYS A 48 0.145 2.167 -3.675 1.00 0.00 C ATOM 696 O CYS A 48 0.452 2.352 -4.852 1.00 0.00 O ATOM 697 CB CYS A 48 -2.348 2.605 -3.546 1.00 0.00 C ATOM 698 SG CYS A 48 -3.081 1.127 -2.753 1.00 0.00 S ATOM 0 H CYS A 48 -1.088 4.785 -4.102 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.983 2.794 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.024 3.448 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.279 2.427 -4.619 1.00 0.00 H new ATOM 703 N PHE A 49 0.717 1.272 -2.882 1.00 0.00 N ATOM 704 CA PHE A 49 1.786 0.416 -3.367 1.00 0.00 C ATOM 705 C PHE A 49 1.810 -0.913 -2.611 1.00 0.00 C ATOM 706 O PHE A 49 1.186 -1.045 -1.559 1.00 0.00 O ATOM 707 CB PHE A 49 3.101 1.157 -3.116 1.00 0.00 C ATOM 708 CG PHE A 49 3.230 1.735 -1.705 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.431 0.905 -0.646 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.143 3.078 -1.510 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.550 1.442 0.663 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.263 3.614 -0.201 1.00 0.00 C ATOM 713 CZ PHE A 49 3.464 2.785 0.858 1.00 0.00 C ATOM 0 H PHE A 49 0.460 1.121 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 49 1.638 0.198 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.931 0.474 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.193 1.967 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.500 -0.162 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.983 3.737 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.709 0.784 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.195 4.681 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.555 3.193 1.854 1.00 0.00 H new ATOM 723 N LYS A 50 2.537 -1.866 -3.176 1.00 0.00 N ATOM 724 CA LYS A 50 2.651 -3.181 -2.568 1.00 0.00 C ATOM 725 C LYS A 50 3.440 -3.067 -1.262 1.00 0.00 C ATOM 726 O LYS A 50 4.107 -2.063 -1.020 1.00 0.00 O ATOM 727 CB LYS A 50 3.247 -4.181 -3.561 1.00 0.00 C ATOM 728 CG LYS A 50 2.467 -4.176 -4.878 1.00 0.00 C ATOM 729 CD LYS A 50 2.535 -5.544 -5.560 1.00 0.00 C ATOM 730 CE LYS A 50 2.838 -5.398 -7.052 1.00 0.00 C ATOM 731 NZ LYS A 50 1.889 -6.202 -7.855 1.00 0.00 N ATOM 0 H LYS A 50 3.053 -1.754 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 50 1.665 -3.570 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.291 -3.932 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.232 -5.182 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.427 -3.912 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.873 -3.414 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.306 -6.152 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.589 -6.068 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.771 -4.349 -7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.859 -5.720 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.109 -6.092 -8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.972 -7.204 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.918 -5.876 -7.674 1.00 0.00 H new ATOM 745 N PRO A 51 3.334 -4.139 -0.431 1.00 0.00 N ATOM 746 CA PRO A 51 4.029 -4.170 0.844 1.00 0.00 C ATOM 747 C PRO A 51 5.524 -4.426 0.648 1.00 0.00 C ATOM 748 O PRO A 51 5.912 -5.414 0.026 1.00 0.00 O ATOM 749 CB PRO A 51 3.339 -5.264 1.642 1.00 0.00 C ATOM 750 CG PRO A 51 2.596 -6.116 0.626 1.00 0.00 C ATOM 751 CD PRO A 51 2.552 -5.346 -0.684 1.00 0.00 C ATOM 0 HA PRO A 51 3.980 -3.218 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.064 -5.860 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.651 -4.839 2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.099 -7.073 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.587 -6.333 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.977 -5.929 -1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.528 -5.102 -0.966 1.00 0.00 H new ATOM 759 N LEU A 52 6.324 -3.519 1.189 1.00 0.00 N ATOM 760 CA LEU A 52 7.768 -3.634 1.081 1.00 0.00 C ATOM 761 C LEU A 52 8.162 -5.112 1.118 1.00 0.00 C ATOM 762 O LEU A 52 7.735 -5.849 2.006 1.00 0.00 O ATOM 763 CB LEU A 52 8.455 -2.787 2.154 1.00 0.00 C ATOM 764 CG LEU A 52 9.952 -3.040 2.352 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.597 -1.908 3.155 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.197 -4.408 2.991 1.00 0.00 C ATOM 0 H LEU A 52 5.999 -2.701 1.704 1.00 0.00 H new ATOM 0 HA LEU A 52 8.111 -3.236 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.314 -1.735 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.949 -2.959 3.104 1.00 0.00 H new ATOM 0 HG LEU A 52 10.429 -3.053 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.660 -2.112 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.469 -0.966 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.122 -1.839 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.268 -4.562 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.704 -4.449 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.793 -5.188 2.346 1.00 0.00 H new ATOM 778 N GLN A 53 8.971 -5.501 0.144 1.00 0.00 N ATOM 779 CA GLN A 53 9.427 -6.878 0.054 1.00 0.00 C ATOM 780 C GLN A 53 10.356 -7.206 1.224 1.00 0.00 C ATOM 781 O GLN A 53 11.529 -7.518 1.021 1.00 0.00 O ATOM 782 CB GLN A 53 10.117 -7.141 -1.285 1.00 0.00 C ATOM 783 CG GLN A 53 11.517 -6.525 -1.311 1.00 0.00 C ATOM 784 CD GLN A 53 11.577 -5.263 -0.448 1.00 0.00 C ATOM 785 OE1 GLN A 53 12.138 -5.246 0.636 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.969 -4.210 -0.986 1.00 0.00 N ATOM 0 H GLN A 53 9.323 -4.887 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 53 8.558 -7.533 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.185 -8.215 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.518 -6.725 -2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.245 -7.252 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.792 -6.281 -2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.518 -4.292 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.953 -3.320 -0.487 1.00 0.00 H new ATOM 795 N GLU A 54 9.798 -7.126 2.423 1.00 0.00 N ATOM 796 CA GLU A 54 10.562 -7.411 3.625 1.00 0.00 C ATOM 797 C GLU A 54 11.544 -8.557 3.371 1.00 0.00 C ATOM 798 O GLU A 54 11.144 -9.638 2.942 1.00 0.00 O ATOM 799 CB GLU A 54 9.637 -7.733 4.800 1.00 0.00 C ATOM 800 CG GLU A 54 9.250 -9.213 4.805 1.00 0.00 C ATOM 801 CD GLU A 54 8.044 -9.462 5.713 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.920 -9.157 5.260 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.274 -9.953 6.839 1.00 0.00 O ATOM 0 H GLU A 54 8.825 -6.868 2.588 1.00 0.00 H new ATOM 0 HA GLU A 54 11.133 -6.520 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.133 -7.480 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.739 -7.119 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.018 -9.535 3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.095 -9.812 5.144 1.00 0.00 H new ATOM 810 N ALA A 55 12.810 -8.281 3.647 1.00 0.00 N ATOM 811 CA ALA A 55 13.852 -9.275 3.454 1.00 0.00 C ATOM 812 C ALA A 55 15.139 -8.796 4.128 1.00 0.00 C ATOM 813 O ALA A 55 16.213 -8.846 3.530 1.00 0.00 O ATOM 814 CB ALA A 55 14.039 -9.535 1.958 1.00 0.00 C ATOM 0 H ALA A 55 13.138 -7.383 4.003 1.00 0.00 H new ATOM 0 HA ALA A 55 13.570 -10.221 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.821 -10.281 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.105 -9.902 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.325 -8.608 1.461 1.00 0.00 H new ATOM 820 N GLU A 56 14.989 -8.342 5.363 1.00 0.00 N ATOM 821 CA GLU A 56 16.127 -7.855 6.125 1.00 0.00 C ATOM 822 C GLU A 56 16.870 -9.023 6.776 1.00 0.00 C ATOM 823 O GLU A 56 16.919 -9.127 8.001 1.00 0.00 O ATOM 824 CB GLU A 56 15.686 -6.832 7.174 1.00 0.00 C ATOM 825 CG GLU A 56 16.734 -5.730 7.340 1.00 0.00 C ATOM 826 CD GLU A 56 16.070 -4.367 7.545 1.00 0.00 C ATOM 827 OE1 GLU A 56 15.106 -4.088 6.800 1.00 0.00 O ATOM 828 OE2 GLU A 56 16.540 -3.636 8.443 1.00 0.00 O ATOM 0 H GLU A 56 14.097 -8.301 5.856 1.00 0.00 H new ATOM 0 HA GLU A 56 16.810 -7.353 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.733 -6.391 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.524 -7.332 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.375 -5.958 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.375 -5.697 6.459 1.00 0.00 H new ATOM 835 N CYS A 57 17.429 -9.873 5.928 1.00 0.00 N ATOM 836 CA CYS A 57 18.168 -11.030 6.405 1.00 0.00 C ATOM 837 C CYS A 57 18.551 -11.887 5.197 1.00 0.00 C ATOM 838 O CYS A 57 18.036 -11.684 4.098 1.00 0.00 O ATOM 839 CB CYS A 57 17.367 -11.825 7.438 1.00 0.00 C ATOM 840 SG CYS A 57 18.276 -12.221 8.976 1.00 0.00 S ATOM 0 H CYS A 57 17.385 -9.784 4.913 1.00 0.00 H new ATOM 0 HA CYS A 57 19.072 -10.702 6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.472 -11.259 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.033 -12.756 6.980 1.00 0.00 H new ATOM 0 HG CYS A 57 17.502 -12.892 9.777 1.00 0.00 H new ATOM 845 N THR A 58 19.452 -12.827 5.441 1.00 0.00 N ATOM 846 CA THR A 58 19.911 -13.716 4.387 1.00 0.00 C ATOM 847 C THR A 58 19.547 -15.165 4.715 1.00 0.00 C ATOM 848 O THR A 58 19.310 -15.502 5.874 1.00 0.00 O ATOM 849 CB THR A 58 21.413 -13.494 4.201 1.00 0.00 C ATOM 850 OG1 THR A 58 21.744 -14.286 3.064 1.00 0.00 O ATOM 851 CG2 THR A 58 22.240 -14.105 5.334 1.00 0.00 C ATOM 0 H THR A 58 19.877 -12.993 6.353 1.00 0.00 H new ATOM 0 HA THR A 58 19.416 -13.496 3.441 1.00 0.00 H new ATOM 0 HB THR A 58 21.616 -12.425 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.701 -14.199 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 58 23.299 -13.919 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.949 -13.652 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 58 22.062 -15.180 5.375 1.00 0.00 H new ATOM 859 N PHE A 59 19.514 -15.984 3.674 1.00 0.00 N ATOM 860 CA PHE A 59 19.183 -17.389 3.837 1.00 0.00 C ATOM 861 C PHE A 59 19.899 -17.984 5.052 1.00 0.00 C ATOM 862 O PHE A 59 20.886 -17.427 5.529 1.00 0.00 O ATOM 863 CB PHE A 59 19.660 -18.111 2.575 1.00 0.00 C ATOM 864 CG PHE A 59 18.526 -18.619 1.683 1.00 0.00 C ATOM 865 CD1 PHE A 59 17.948 -17.786 0.777 1.00 0.00 C ATOM 866 CD2 PHE A 59 18.096 -19.905 1.795 1.00 0.00 C ATOM 867 CE1 PHE A 59 16.896 -18.258 -0.052 1.00 0.00 C ATOM 868 CE2 PHE A 59 17.043 -20.376 0.967 1.00 0.00 C ATOM 869 CZ PHE A 59 16.466 -19.543 0.061 1.00 0.00 C ATOM 0 H PHE A 59 19.711 -15.701 2.714 1.00 0.00 H new ATOM 0 HA PHE A 59 18.110 -17.503 3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.288 -17.433 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.286 -18.955 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.289 -16.765 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 59 18.556 -20.567 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.438 -17.596 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 59 16.700 -21.396 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.666 -19.902 -0.569 1.00 0.00 H new TER 879 PHE A 59