USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 464 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 4 SER OG : rot 180:sc= -0.953 USER MOD Set 1.2: A 8 LYS NZ :NH3+ -147:sc= -0.978 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.22) USER MOD Single : A 10 MET CE :methyl -151:sc= -5.06! (180deg=-9.45!) USER MOD Single : A 12 MET CE :methyl -153:sc= -0.269 (180deg=-1.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.74 K(o=-1.7,f=-5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.035) USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.0382 USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.142) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 20:sc= -5.5! USER MOD Single : A 50 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 54 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.6) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 0.0416 (180deg=-0.021) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.979 -10.578 -2.094 1.00 0.00 N ATOM 2 CA MET A 1 -13.363 -9.375 -2.627 1.00 0.00 C ATOM 3 C MET A 1 -12.471 -8.704 -1.581 1.00 0.00 C ATOM 4 O MET A 1 -12.962 -7.982 -0.714 1.00 0.00 O ATOM 5 CB MET A 1 -14.452 -8.397 -3.073 1.00 0.00 C ATOM 6 CG MET A 1 -14.263 -7.995 -4.537 1.00 0.00 C ATOM 7 SD MET A 1 -13.611 -6.336 -4.635 1.00 0.00 S ATOM 8 CE MET A 1 -12.746 -6.435 -6.194 1.00 0.00 C ATOM 0 H1 MET A 1 -14.579 -11.013 -2.824 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.238 -11.250 -1.808 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.562 -10.333 -1.268 1.00 0.00 H new ATOM 0 HA MET A 1 -12.743 -9.655 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.433 -8.855 -2.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.428 -7.508 -2.442 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.584 -8.691 -5.029 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.215 -8.052 -5.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.276 -5.476 -6.411 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.981 -7.209 -6.137 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.452 -6.681 -6.987 1.00 0.00 H new ATOM 16 N ALA A 2 -11.178 -8.967 -1.694 1.00 0.00 N ATOM 17 CA ALA A 2 -10.214 -8.398 -0.768 1.00 0.00 C ATOM 18 C ALA A 2 -10.322 -9.116 0.578 1.00 0.00 C ATOM 19 O ALA A 2 -11.423 -9.413 1.041 1.00 0.00 O ATOM 20 CB ALA A 2 -10.450 -6.891 -0.647 1.00 0.00 C ATOM 0 H ALA A 2 -10.775 -9.567 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.198 -8.540 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.727 -6.464 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.333 -6.425 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.459 -6.709 -0.277 1.00 0.00 H new ATOM 26 N ASP A 3 -9.166 -9.373 1.171 1.00 0.00 N ATOM 27 CA ASP A 3 -9.116 -10.051 2.455 1.00 0.00 C ATOM 28 C ASP A 3 -7.785 -9.737 3.141 1.00 0.00 C ATOM 29 O ASP A 3 -7.754 -9.427 4.331 1.00 0.00 O ATOM 30 CB ASP A 3 -9.213 -11.567 2.282 1.00 0.00 C ATOM 31 CG ASP A 3 -10.531 -12.068 1.687 1.00 0.00 C ATOM 32 OD1 ASP A 3 -11.560 -11.915 2.381 1.00 0.00 O ATOM 33 OD2 ASP A 3 -10.480 -12.592 0.553 1.00 0.00 O ATOM 0 H ASP A 3 -8.255 -9.124 0.785 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.958 -9.702 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.394 -11.898 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.068 -12.038 3.254 1.00 0.00 H new ATOM 37 N SER A 4 -6.718 -9.829 2.362 1.00 0.00 N ATOM 38 CA SER A 4 -5.388 -9.558 2.880 1.00 0.00 C ATOM 39 C SER A 4 -4.337 -9.873 1.813 1.00 0.00 C ATOM 40 O SER A 4 -3.540 -9.009 1.448 1.00 0.00 O ATOM 41 CB SER A 4 -5.116 -10.370 4.148 1.00 0.00 C ATOM 42 OG SER A 4 -3.721 -10.497 4.411 1.00 0.00 O ATOM 0 H SER A 4 -6.747 -10.087 1.376 1.00 0.00 H new ATOM 0 HA SER A 4 -5.330 -8.501 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.603 -9.890 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.557 -11.361 4.046 1.00 0.00 H new ATOM 0 HG SER A 4 -3.589 -11.020 5.229 1.00 0.00 H new ATOM 47 N ALA A 5 -4.369 -11.112 1.343 1.00 0.00 N ATOM 48 CA ALA A 5 -3.429 -11.551 0.326 1.00 0.00 C ATOM 49 C ALA A 5 -3.581 -10.670 -0.916 1.00 0.00 C ATOM 50 O ALA A 5 -2.607 -10.410 -1.621 1.00 0.00 O ATOM 51 CB ALA A 5 -3.661 -13.032 0.022 1.00 0.00 C ATOM 0 H ALA A 5 -5.031 -11.825 1.648 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.403 -11.448 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.956 -13.362 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.513 -13.617 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.679 -13.174 -0.340 1.00 0.00 H new ATOM 57 N GLU A 6 -4.811 -10.234 -1.147 1.00 0.00 N ATOM 58 CA GLU A 6 -5.103 -9.388 -2.292 1.00 0.00 C ATOM 59 C GLU A 6 -4.464 -8.009 -2.109 1.00 0.00 C ATOM 60 O GLU A 6 -3.830 -7.490 -3.025 1.00 0.00 O ATOM 61 CB GLU A 6 -6.612 -9.268 -2.515 1.00 0.00 C ATOM 62 CG GLU A 6 -6.951 -7.998 -3.295 1.00 0.00 C ATOM 63 CD GLU A 6 -6.362 -8.046 -4.706 1.00 0.00 C ATOM 64 OE1 GLU A 6 -5.166 -8.397 -4.811 1.00 0.00 O ATOM 65 OE2 GLU A 6 -7.120 -7.733 -5.649 1.00 0.00 O ATOM 0 H GLU A 6 -5.617 -10.451 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.674 -9.851 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.973 -10.141 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.126 -9.257 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.033 -7.881 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.564 -7.128 -2.765 1.00 0.00 H new ATOM 70 N LEU A 7 -4.655 -7.457 -0.921 1.00 0.00 N ATOM 71 CA LEU A 7 -4.106 -6.149 -0.606 1.00 0.00 C ATOM 72 C LEU A 7 -2.583 -6.192 -0.750 1.00 0.00 C ATOM 73 O LEU A 7 -1.975 -5.239 -1.231 1.00 0.00 O ATOM 74 CB LEU A 7 -4.581 -5.686 0.772 1.00 0.00 C ATOM 75 CG LEU A 7 -6.068 -5.344 0.889 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.570 -4.645 -0.375 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.892 -6.589 1.223 1.00 0.00 C ATOM 0 H LEU A 7 -5.183 -7.892 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.472 -5.402 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.350 -6.468 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.003 -4.807 1.057 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.194 -4.644 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.629 -4.413 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.010 -3.722 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.429 -5.301 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.945 -6.318 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.765 -7.331 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.554 -7.006 2.172 1.00 0.00 H new ATOM 88 N LYS A 8 -2.011 -7.309 -0.321 1.00 0.00 N ATOM 89 CA LYS A 8 -0.572 -7.488 -0.396 1.00 0.00 C ATOM 90 C LYS A 8 -0.125 -7.384 -1.855 1.00 0.00 C ATOM 91 O LYS A 8 0.796 -6.633 -2.173 1.00 0.00 O ATOM 92 CB LYS A 8 -0.160 -8.797 0.282 1.00 0.00 C ATOM 93 CG LYS A 8 1.016 -8.574 1.235 1.00 0.00 C ATOM 94 CD LYS A 8 0.725 -9.172 2.613 1.00 0.00 C ATOM 95 CE LYS A 8 -0.427 -8.435 3.299 1.00 0.00 C ATOM 96 NZ LYS A 8 -1.445 -9.395 3.778 1.00 0.00 N ATOM 0 H LYS A 8 -2.519 -8.098 0.079 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.060 -6.697 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.006 -9.208 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.115 -9.532 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.916 -9.028 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.213 -7.506 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.475 -10.228 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.619 -9.115 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.045 -7.852 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.882 -7.731 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.388 -8.961 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.419 -10.251 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.245 -9.649 4.766 1.00 0.00 H new ATOM 106 N GLN A 9 -0.796 -8.148 -2.703 1.00 0.00 N ATOM 107 CA GLN A 9 -0.479 -8.151 -4.121 1.00 0.00 C ATOM 108 C GLN A 9 -0.769 -6.779 -4.733 1.00 0.00 C ATOM 109 O GLN A 9 0.032 -6.258 -5.507 1.00 0.00 O ATOM 110 CB GLN A 9 -1.249 -9.252 -4.853 1.00 0.00 C ATOM 111 CG GLN A 9 -0.350 -10.460 -5.127 1.00 0.00 C ATOM 112 CD GLN A 9 0.618 -10.173 -6.277 1.00 0.00 C ATOM 113 OE1 GLN A 9 0.240 -9.712 -7.341 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.884 -10.470 -6.003 1.00 0.00 N ATOM 0 H GLN A 9 -1.559 -8.770 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 9 0.585 -8.360 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.106 -9.560 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.640 -8.864 -5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.212 -10.711 -4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.964 -11.327 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.132 -10.854 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.608 -10.314 -6.705 1.00 0.00 H new ATOM 121 N MET A 10 -1.919 -6.233 -4.363 1.00 0.00 N ATOM 122 CA MET A 10 -2.326 -4.932 -4.865 1.00 0.00 C ATOM 123 C MET A 10 -1.317 -3.852 -4.470 1.00 0.00 C ATOM 124 O MET A 10 -0.924 -3.031 -5.298 1.00 0.00 O ATOM 125 CB MET A 10 -3.703 -4.575 -4.303 1.00 0.00 C ATOM 126 CG MET A 10 -4.788 -5.475 -4.898 1.00 0.00 C ATOM 127 SD MET A 10 -5.844 -4.526 -5.979 1.00 0.00 S ATOM 128 CE MET A 10 -6.300 -3.196 -4.879 1.00 0.00 C ATOM 0 H MET A 10 -2.581 -6.669 -3.721 1.00 0.00 H new ATOM 0 HA MET A 10 -2.370 -4.981 -5.953 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.695 -4.678 -3.218 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.930 -3.532 -4.522 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.329 -6.294 -5.452 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.379 -5.922 -4.099 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.287 -2.821 -5.151 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.322 -3.564 -3.853 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.570 -2.390 -4.960 1.00 0.00 H new ATOM 136 N VAL A 11 -0.927 -3.886 -3.204 1.00 0.00 N ATOM 137 CA VAL A 11 0.028 -2.920 -2.688 1.00 0.00 C ATOM 138 C VAL A 11 1.393 -3.165 -3.335 1.00 0.00 C ATOM 139 O VAL A 11 2.116 -2.217 -3.642 1.00 0.00 O ATOM 140 CB VAL A 11 0.071 -2.990 -1.160 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.405 -2.469 -0.625 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.104 -2.229 -0.544 1.00 0.00 C ATOM 0 H VAL A 11 -1.255 -4.568 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.278 -1.906 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.019 -4.037 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.409 -2.530 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.219 -3.074 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.539 -1.432 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.050 -2.294 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.059 -1.183 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.041 -2.667 -0.888 1.00 0.00 H new ATOM 152 N MET A 12 1.704 -4.438 -3.524 1.00 0.00 N ATOM 153 CA MET A 12 2.969 -4.818 -4.129 1.00 0.00 C ATOM 154 C MET A 12 3.046 -4.345 -5.583 1.00 0.00 C ATOM 155 O MET A 12 4.113 -4.376 -6.194 1.00 0.00 O ATOM 156 CB MET A 12 3.124 -6.339 -4.078 1.00 0.00 C ATOM 157 CG MET A 12 3.948 -6.766 -2.861 1.00 0.00 C ATOM 158 SD MET A 12 5.347 -7.744 -3.385 1.00 0.00 S ATOM 159 CE MET A 12 4.510 -8.986 -4.357 1.00 0.00 C ATOM 0 H MET A 12 1.101 -5.220 -3.269 1.00 0.00 H new ATOM 0 HA MET A 12 3.775 -4.343 -3.569 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.140 -6.807 -4.038 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.607 -6.690 -4.990 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.292 -5.886 -2.317 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.327 -7.342 -2.175 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.099 -9.903 -4.360 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.529 -9.186 -3.925 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.390 -8.628 -5.380 1.00 0.00 H new ATOM 167 N SER A 13 1.900 -3.920 -6.093 1.00 0.00 N ATOM 168 CA SER A 13 1.823 -3.441 -7.464 1.00 0.00 C ATOM 169 C SER A 13 1.767 -1.912 -7.482 1.00 0.00 C ATOM 170 O SER A 13 1.962 -1.293 -8.526 1.00 0.00 O ATOM 171 CB SER A 13 0.606 -4.025 -8.183 1.00 0.00 C ATOM 172 OG SER A 13 0.970 -4.709 -9.379 1.00 0.00 O ATOM 0 H SER A 13 1.017 -3.897 -5.583 1.00 0.00 H new ATOM 0 HA SER A 13 2.717 -3.771 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.086 -4.713 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.093 -3.224 -8.422 1.00 0.00 H new ATOM 0 HG SER A 13 0.166 -5.069 -9.808 1.00 0.00 H new ATOM 177 N LEU A 14 1.502 -1.347 -6.313 1.00 0.00 N ATOM 178 CA LEU A 14 1.418 0.097 -6.182 1.00 0.00 C ATOM 179 C LEU A 14 2.804 0.706 -6.400 1.00 0.00 C ATOM 180 O LEU A 14 3.816 0.020 -6.264 1.00 0.00 O ATOM 181 CB LEU A 14 0.783 0.478 -4.842 1.00 0.00 C ATOM 182 CG LEU A 14 -0.730 0.279 -4.737 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.234 0.645 -3.340 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.463 1.058 -5.832 1.00 0.00 C ATOM 0 H LEU A 14 1.343 -1.864 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 14 0.763 0.511 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.262 -0.106 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.007 1.526 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.947 -0.778 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.313 0.495 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.746 0.012 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.003 1.690 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.537 0.899 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.243 2.121 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.132 0.709 -6.810 1.00 0.00 H new ATOM 195 N ARG A 15 2.807 1.987 -6.737 1.00 0.00 N ATOM 196 CA ARG A 15 4.053 2.696 -6.976 1.00 0.00 C ATOM 197 C ARG A 15 4.643 3.191 -5.654 1.00 0.00 C ATOM 198 O ARG A 15 4.104 2.910 -4.584 1.00 0.00 O ATOM 199 CB ARG A 15 3.837 3.889 -7.909 1.00 0.00 C ATOM 200 CG ARG A 15 4.340 3.579 -9.321 1.00 0.00 C ATOM 201 CD ARG A 15 5.752 4.128 -9.533 1.00 0.00 C ATOM 202 NE ARG A 15 5.909 4.591 -10.929 1.00 0.00 N ATOM 203 CZ ARG A 15 5.883 3.783 -11.997 1.00 0.00 C ATOM 204 NH1 ARG A 15 5.706 2.464 -11.835 1.00 0.00 N ATOM 205 NH2 ARG A 15 6.034 4.292 -13.228 1.00 0.00 N ATOM 0 H ARG A 15 1.966 2.553 -6.850 1.00 0.00 H new ATOM 0 HA ARG A 15 4.746 2.000 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.777 4.141 -7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.359 4.762 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.337 2.501 -9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.663 4.014 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.938 4.952 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.489 3.356 -9.312 1.00 0.00 H new ATOM 0 HE ARG A 15 6.046 5.589 -11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.591 2.076 -10.899 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.686 1.848 -12.648 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.169 5.295 -13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.014 3.676 -14.041 1.00 0.00 H new ATOM 216 N VAL A 16 5.743 3.921 -5.770 1.00 0.00 N ATOM 217 CA VAL A 16 6.413 4.458 -4.598 1.00 0.00 C ATOM 218 C VAL A 16 5.515 5.506 -3.939 1.00 0.00 C ATOM 219 O VAL A 16 5.330 5.494 -2.722 1.00 0.00 O ATOM 220 CB VAL A 16 7.787 5.008 -4.987 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.494 5.621 -3.776 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.649 3.922 -5.634 1.00 0.00 C ATOM 0 H VAL A 16 6.187 4.153 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 16 6.588 3.671 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 16 7.636 5.798 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.468 6.005 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.891 6.437 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.627 4.859 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.620 4.339 -5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.788 3.101 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.154 3.551 -6.532 1.00 0.00 H new ATOM 232 N SER A 17 4.978 6.388 -4.771 1.00 0.00 N ATOM 233 CA SER A 17 4.104 7.441 -4.283 1.00 0.00 C ATOM 234 C SER A 17 2.854 6.829 -3.647 1.00 0.00 C ATOM 235 O SER A 17 2.411 7.275 -2.589 1.00 0.00 O ATOM 236 CB SER A 17 3.711 8.397 -5.411 1.00 0.00 C ATOM 237 OG SER A 17 4.117 9.736 -5.142 1.00 0.00 O ATOM 0 H SER A 17 5.132 6.394 -5.779 1.00 0.00 H new ATOM 0 HA SER A 17 4.645 8.014 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.163 8.062 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.631 8.367 -5.552 1.00 0.00 H new ATOM 0 HG SER A 17 3.849 10.315 -5.886 1.00 0.00 H new ATOM 242 N GLU A 18 2.321 5.818 -4.316 1.00 0.00 N ATOM 243 CA GLU A 18 1.132 5.142 -3.829 1.00 0.00 C ATOM 244 C GLU A 18 1.396 4.529 -2.452 1.00 0.00 C ATOM 245 O GLU A 18 0.528 4.554 -1.580 1.00 0.00 O ATOM 246 CB GLU A 18 0.661 4.076 -4.821 1.00 0.00 C ATOM 247 CG GLU A 18 -0.192 4.698 -5.930 1.00 0.00 C ATOM 248 CD GLU A 18 0.681 5.171 -7.094 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.713 5.815 -6.804 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.298 4.877 -8.246 1.00 0.00 O ATOM 0 H GLU A 18 2.691 5.450 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 18 0.335 5.879 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.524 3.575 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.083 3.315 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.918 3.968 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.758 5.539 -5.530 1.00 0.00 H new ATOM 255 N LEU A 19 2.597 3.993 -2.299 1.00 0.00 N ATOM 256 CA LEU A 19 2.987 3.375 -1.042 1.00 0.00 C ATOM 257 C LEU A 19 3.092 4.452 0.040 1.00 0.00 C ATOM 258 O LEU A 19 2.796 4.196 1.206 1.00 0.00 O ATOM 259 CB LEU A 19 4.267 2.556 -1.222 1.00 0.00 C ATOM 260 CG LEU A 19 4.092 1.163 -1.828 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.213 0.854 -2.823 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.987 0.098 -0.734 1.00 0.00 C ATOM 0 H LEU A 19 3.314 3.973 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 19 2.227 2.666 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.951 3.122 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.746 2.450 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 19 3.154 1.147 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.065 -0.142 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.199 1.589 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.175 0.894 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.863 -0.883 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.895 0.105 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.128 0.313 -0.098 1.00 0.00 H new ATOM 273 N GLN A 20 3.512 5.634 -0.386 1.00 0.00 N ATOM 274 CA GLN A 20 3.660 6.750 0.532 1.00 0.00 C ATOM 275 C GLN A 20 2.300 7.143 1.113 1.00 0.00 C ATOM 276 O GLN A 20 2.217 7.599 2.252 1.00 0.00 O ATOM 277 CB GLN A 20 4.327 7.942 -0.156 1.00 0.00 C ATOM 278 CG GLN A 20 5.814 7.676 -0.396 1.00 0.00 C ATOM 279 CD GLN A 20 6.609 8.984 -0.416 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.120 10.043 -0.061 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.860 8.850 -0.850 1.00 0.00 N ATOM 0 H GLN A 20 3.754 5.843 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 20 4.307 6.437 1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.832 8.142 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.208 8.834 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.201 7.023 0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.945 7.152 -1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.206 7.933 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.472 9.664 -0.900 1.00 0.00 H new ATOM 288 N VAL A 21 1.269 6.951 0.304 1.00 0.00 N ATOM 289 CA VAL A 21 -0.083 7.280 0.723 1.00 0.00 C ATOM 290 C VAL A 21 -0.500 6.347 1.861 1.00 0.00 C ATOM 291 O VAL A 21 -1.045 6.794 2.869 1.00 0.00 O ATOM 292 CB VAL A 21 -1.032 7.223 -0.476 1.00 0.00 C ATOM 293 CG1 VAL A 21 -2.384 7.853 -0.136 1.00 0.00 C ATOM 294 CG2 VAL A 21 -0.406 7.892 -1.702 1.00 0.00 C ATOM 0 H VAL A 21 1.342 6.572 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.127 8.300 1.106 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.204 6.174 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.039 7.799 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.838 7.313 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.239 8.896 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.101 7.838 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.190 8.936 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.519 7.379 -1.964 1.00 0.00 H new ATOM 304 N LEU A 22 -0.229 5.065 1.662 1.00 0.00 N ATOM 305 CA LEU A 22 -0.569 4.064 2.659 1.00 0.00 C ATOM 306 C LEU A 22 0.136 4.400 3.974 1.00 0.00 C ATOM 307 O LEU A 22 -0.454 4.280 5.047 1.00 0.00 O ATOM 308 CB LEU A 22 -0.259 2.660 2.136 1.00 0.00 C ATOM 309 CG LEU A 22 -1.442 1.886 1.551 1.00 0.00 C ATOM 310 CD1 LEU A 22 -2.154 2.706 0.473 1.00 0.00 C ATOM 311 CD2 LEU A 22 -0.997 0.518 1.029 1.00 0.00 C ATOM 0 H LEU A 22 0.222 4.697 0.825 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.640 4.075 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.511 2.741 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.164 2.075 2.952 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.163 1.708 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.991 2.133 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.524 3.635 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.455 2.935 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.856 -0.012 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.247 0.652 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.570 -0.062 1.847 1.00 0.00 H new ATOM 322 N LEU A 23 1.388 4.814 3.848 1.00 0.00 N ATOM 323 CA LEU A 23 2.179 5.169 5.015 1.00 0.00 C ATOM 324 C LEU A 23 1.712 6.525 5.549 1.00 0.00 C ATOM 325 O LEU A 23 1.611 6.716 6.760 1.00 0.00 O ATOM 326 CB LEU A 23 3.672 5.120 4.683 1.00 0.00 C ATOM 327 CG LEU A 23 4.223 3.753 4.270 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.659 3.569 4.766 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.304 2.626 4.744 1.00 0.00 C ATOM 0 H LEU A 23 1.874 4.912 2.957 1.00 0.00 H new ATOM 0 HA LEU A 23 2.028 4.443 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.868 5.827 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.229 5.466 5.554 1.00 0.00 H new ATOM 0 HG LEU A 23 4.250 3.710 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.027 2.590 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.294 4.345 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.680 3.640 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.718 1.665 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.222 2.656 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.316 2.752 4.302 1.00 0.00 H new ATOM 340 N GLY A 24 1.439 7.430 4.621 1.00 0.00 N ATOM 341 CA GLY A 24 0.986 8.761 4.984 1.00 0.00 C ATOM 342 C GLY A 24 -0.368 8.704 5.693 1.00 0.00 C ATOM 343 O GLY A 24 -0.562 9.351 6.722 1.00 0.00 O ATOM 0 H GLY A 24 1.523 7.267 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.721 9.235 5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.907 9.379 4.089 1.00 0.00 H new ATOM 347 N TYR A 25 -1.271 7.924 5.116 1.00 0.00 N ATOM 348 CA TYR A 25 -2.601 7.775 5.680 1.00 0.00 C ATOM 349 C TYR A 25 -2.563 6.939 6.961 1.00 0.00 C ATOM 350 O TYR A 25 -3.429 7.077 7.823 1.00 0.00 O ATOM 351 CB TYR A 25 -3.425 7.034 4.625 1.00 0.00 C ATOM 352 CG TYR A 25 -4.936 7.087 4.865 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.524 8.258 5.299 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.708 5.965 4.647 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.945 8.307 5.525 1.00 0.00 C ATOM 356 CE2 TYR A 25 -7.130 6.015 4.873 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.678 7.184 5.300 1.00 0.00 C ATOM 358 OH TYR A 25 -9.020 7.232 5.512 1.00 0.00 O ATOM 0 H TYR A 25 -1.107 7.389 4.263 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.023 8.748 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.208 7.459 3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.108 5.991 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.919 9.136 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.247 5.049 4.307 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.418 9.216 5.866 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.747 5.144 4.707 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.415 6.358 5.310 1.00 0.00 H new ATOM 367 N ALA A 26 -1.550 6.089 7.045 1.00 0.00 N ATOM 368 CA ALA A 26 -1.387 5.231 8.205 1.00 0.00 C ATOM 369 C ALA A 26 -0.562 5.964 9.265 1.00 0.00 C ATOM 370 O ALA A 26 -0.477 5.519 10.408 1.00 0.00 O ATOM 371 CB ALA A 26 -0.746 3.910 7.779 1.00 0.00 C ATOM 0 H ALA A 26 -0.834 5.977 6.328 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.356 4.995 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.624 3.267 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.385 3.414 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.229 4.106 7.333 1.00 0.00 H new ATOM 377 N GLY A 27 0.026 7.076 8.847 1.00 0.00 N ATOM 378 CA GLY A 27 0.842 7.875 9.745 1.00 0.00 C ATOM 379 C GLY A 27 2.315 7.476 9.648 1.00 0.00 C ATOM 380 O GLY A 27 3.201 8.312 9.821 1.00 0.00 O ATOM 0 H GLY A 27 -0.047 7.442 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.731 8.931 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.494 7.747 10.770 1.00 0.00 H new ATOM 384 N ARG A 28 2.533 6.198 9.371 1.00 0.00 N ATOM 385 CA ARG A 28 3.884 5.679 9.248 1.00 0.00 C ATOM 386 C ARG A 28 4.748 6.637 8.425 1.00 0.00 C ATOM 387 O ARG A 28 4.290 7.190 7.426 1.00 0.00 O ATOM 388 CB ARG A 28 3.887 4.301 8.583 1.00 0.00 C ATOM 389 CG ARG A 28 3.434 3.218 9.564 1.00 0.00 C ATOM 390 CD ARG A 28 4.583 2.795 10.481 1.00 0.00 C ATOM 391 NE ARG A 28 4.291 1.474 11.081 1.00 0.00 N ATOM 392 CZ ARG A 28 5.028 0.908 12.047 1.00 0.00 C ATOM 393 NH1 ARG A 28 6.107 1.543 12.525 1.00 0.00 N ATOM 394 NH2 ARG A 28 4.688 -0.294 12.532 1.00 0.00 N ATOM 0 H ARG A 28 1.796 5.507 9.228 1.00 0.00 H new ATOM 0 HA ARG A 28 4.296 5.585 10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.227 4.310 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.888 4.071 8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.603 3.590 10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.067 2.353 9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.513 2.749 9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.725 3.537 11.267 1.00 0.00 H new ATOM 0 HE ARG A 28 3.478 0.962 10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.367 2.457 12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.668 1.113 13.260 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.868 -0.778 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.249 -0.725 13.267 1.00 0.00 H new ATOM 405 N ASN A 29 5.983 6.804 8.875 1.00 0.00 N ATOM 406 CA ASN A 29 6.916 7.684 8.193 1.00 0.00 C ATOM 407 C ASN A 29 7.404 7.009 6.910 1.00 0.00 C ATOM 408 O ASN A 29 7.964 5.915 6.955 1.00 0.00 O ATOM 409 CB ASN A 29 8.137 7.978 9.067 1.00 0.00 C ATOM 410 CG ASN A 29 8.960 9.132 8.491 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.010 8.946 7.898 1.00 0.00 O ATOM 412 ND2 ASN A 29 8.426 10.333 8.698 1.00 0.00 N ATOM 0 H ASN A 29 6.359 6.344 9.704 1.00 0.00 H new ATOM 0 HA ASN A 29 6.398 8.617 7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.814 8.227 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.758 7.086 9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.899 11.168 8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.544 10.419 9.202 1.00 0.00 H new ATOM 418 N LYS A 30 7.175 7.689 5.796 1.00 0.00 N ATOM 419 CA LYS A 30 7.584 7.168 4.503 1.00 0.00 C ATOM 420 C LYS A 30 8.948 7.751 4.132 1.00 0.00 C ATOM 421 O LYS A 30 9.774 8.013 5.006 1.00 0.00 O ATOM 422 CB LYS A 30 6.499 7.426 3.455 1.00 0.00 C ATOM 423 CG LYS A 30 6.394 8.917 3.130 1.00 0.00 C ATOM 424 CD LYS A 30 5.164 9.537 3.795 1.00 0.00 C ATOM 425 CE LYS A 30 4.776 10.852 3.114 1.00 0.00 C ATOM 426 NZ LYS A 30 3.305 10.986 3.043 1.00 0.00 N ATOM 0 H LYS A 30 6.711 8.597 5.762 1.00 0.00 H new ATOM 0 HA LYS A 30 7.701 6.085 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.725 6.867 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.540 7.062 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.293 9.431 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.336 9.054 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.329 8.838 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.369 9.717 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.197 11.692 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.199 10.887 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.060 11.884 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.910 10.194 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.909 10.975 4.004 1.00 0.00 H new ATOM 436 N HIS A 31 9.144 7.937 2.835 1.00 0.00 N ATOM 437 CA HIS A 31 10.395 8.484 2.338 1.00 0.00 C ATOM 438 C HIS A 31 11.514 7.457 2.522 1.00 0.00 C ATOM 439 O HIS A 31 11.865 7.112 3.650 1.00 0.00 O ATOM 440 CB HIS A 31 10.705 9.825 3.006 1.00 0.00 C ATOM 441 CG HIS A 31 11.696 10.675 2.247 1.00 0.00 C ATOM 442 ND1 HIS A 31 11.572 12.049 2.133 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.826 10.333 1.566 1.00 0.00 C ATOM 444 CE1 HIS A 31 12.588 12.502 1.413 1.00 0.00 C ATOM 445 NE2 HIS A 31 13.364 11.437 1.062 1.00 0.00 N ATOM 0 H HIS A 31 8.457 7.719 2.113 1.00 0.00 H new ATOM 0 HA HIS A 31 10.308 8.687 1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.777 10.384 3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.093 9.639 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.218 9.333 1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.770 13.534 1.150 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.217 11.481 0.504 1.00 0.00 H new ATOM 452 N GLY A 32 12.042 6.997 1.397 1.00 0.00 N ATOM 453 CA GLY A 32 13.113 6.016 1.420 1.00 0.00 C ATOM 454 C GLY A 32 13.081 5.139 0.167 1.00 0.00 C ATOM 455 O GLY A 32 12.536 5.538 -0.860 1.00 0.00 O ATOM 0 H GLY A 32 11.748 7.286 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.075 6.524 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.019 5.391 2.308 1.00 0.00 H new ATOM 459 N ARG A 33 13.673 3.960 0.293 1.00 0.00 N ATOM 460 CA ARG A 33 13.718 3.024 -0.817 1.00 0.00 C ATOM 461 C ARG A 33 12.366 2.326 -0.978 1.00 0.00 C ATOM 462 O ARG A 33 11.584 2.252 -0.032 1.00 0.00 O ATOM 463 CB ARG A 33 14.807 1.970 -0.604 1.00 0.00 C ATOM 464 CG ARG A 33 16.134 2.420 -1.216 1.00 0.00 C ATOM 465 CD ARG A 33 16.615 1.425 -2.275 1.00 0.00 C ATOM 466 NE ARG A 33 16.775 2.110 -3.577 1.00 0.00 N ATOM 467 CZ ARG A 33 16.795 1.480 -4.759 1.00 0.00 C ATOM 468 NH1 ARG A 33 16.665 0.147 -4.811 1.00 0.00 N ATOM 469 NH2 ARG A 33 16.945 2.182 -5.890 1.00 0.00 N ATOM 0 H ARG A 33 14.125 3.632 1.146 1.00 0.00 H new ATOM 0 HA ARG A 33 13.948 3.590 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.938 1.788 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.497 1.026 -1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.016 3.406 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.886 2.515 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.563 0.984 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.900 0.608 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 33 16.876 3.125 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.551 -0.388 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.680 -0.332 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.044 3.196 -5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.960 1.702 -6.790 1.00 0.00 H new ATOM 480 N LYS A 34 12.133 1.830 -2.185 1.00 0.00 N ATOM 481 CA LYS A 34 10.888 1.141 -2.484 1.00 0.00 C ATOM 482 C LYS A 34 10.805 -0.136 -1.645 1.00 0.00 C ATOM 483 O LYS A 34 9.740 -0.479 -1.134 1.00 0.00 O ATOM 484 CB LYS A 34 10.759 0.898 -3.988 1.00 0.00 C ATOM 485 CG LYS A 34 9.293 0.723 -4.391 1.00 0.00 C ATOM 486 CD LYS A 34 9.143 -0.359 -5.462 1.00 0.00 C ATOM 487 CE LYS A 34 8.404 0.181 -6.687 1.00 0.00 C ATOM 488 NZ LYS A 34 7.955 -0.932 -7.554 1.00 0.00 N ATOM 0 H LYS A 34 12.785 1.891 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 34 10.033 1.760 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.193 1.736 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.325 0.009 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.701 0.457 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.900 1.668 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.127 -0.722 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.600 -1.210 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.545 0.772 -6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.058 0.847 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.455 -0.548 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.780 -1.479 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.314 -1.552 -7.019 1.00 0.00 H new ATOM 498 N HIS A 35 11.943 -0.805 -1.528 1.00 0.00 N ATOM 499 CA HIS A 35 12.011 -2.037 -0.761 1.00 0.00 C ATOM 500 C HIS A 35 11.566 -1.770 0.679 1.00 0.00 C ATOM 501 O HIS A 35 10.805 -2.548 1.252 1.00 0.00 O ATOM 502 CB HIS A 35 13.410 -2.652 -0.843 1.00 0.00 C ATOM 503 CG HIS A 35 13.519 -4.016 -0.206 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.897 -5.145 -0.912 1.00 0.00 N ATOM 505 CD2 HIS A 35 13.298 -4.421 1.077 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.898 -6.177 -0.081 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.527 -5.726 1.151 1.00 0.00 N ATOM 0 H HIS A 35 12.825 -0.517 -1.952 1.00 0.00 H new ATOM 0 HA HIS A 35 11.328 -2.772 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.702 -2.727 -1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.120 -1.980 -0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.989 -3.787 1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.149 -7.196 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.440 -6.298 1.991 1.00 0.00 H new ATOM 514 N GLU A 36 12.058 -0.665 1.222 1.00 0.00 N ATOM 515 CA GLU A 36 11.721 -0.286 2.583 1.00 0.00 C ATOM 516 C GLU A 36 10.227 0.031 2.691 1.00 0.00 C ATOM 517 O GLU A 36 9.549 -0.460 3.592 1.00 0.00 O ATOM 518 CB GLU A 36 12.567 0.901 3.047 1.00 0.00 C ATOM 519 CG GLU A 36 14.035 0.498 3.206 1.00 0.00 C ATOM 520 CD GLU A 36 14.524 0.759 4.632 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.266 -0.115 5.488 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.143 1.825 4.834 1.00 0.00 O ATOM 0 H GLU A 36 12.687 -0.021 0.743 1.00 0.00 H new ATOM 0 HA GLU A 36 11.943 -1.127 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.485 1.714 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.184 1.276 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.154 -0.558 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.648 1.058 2.499 1.00 0.00 H new ATOM 527 N LEU A 37 9.759 0.847 1.758 1.00 0.00 N ATOM 528 CA LEU A 37 8.359 1.235 1.738 1.00 0.00 C ATOM 529 C LEU A 37 7.494 -0.008 1.523 1.00 0.00 C ATOM 530 O LEU A 37 6.418 -0.129 2.107 1.00 0.00 O ATOM 531 CB LEU A 37 8.123 2.334 0.700 1.00 0.00 C ATOM 532 CG LEU A 37 8.801 3.677 0.980 1.00 0.00 C ATOM 533 CD1 LEU A 37 9.086 4.430 -0.322 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.976 4.515 1.958 1.00 0.00 C ATOM 0 H LEU A 37 10.324 1.250 1.011 1.00 0.00 H new ATOM 0 HA LEU A 37 8.069 1.665 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.466 1.971 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.049 2.502 0.615 1.00 0.00 H new ATOM 0 HG LEU A 37 9.762 3.481 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.568 5.381 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.744 3.831 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.149 4.615 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.481 5.464 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.990 4.704 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.869 3.975 2.899 1.00 0.00 H new ATOM 545 N LEU A 38 7.995 -0.902 0.683 1.00 0.00 N ATOM 546 CA LEU A 38 7.281 -2.132 0.384 1.00 0.00 C ATOM 547 C LEU A 38 7.076 -2.924 1.677 1.00 0.00 C ATOM 548 O LEU A 38 5.962 -3.351 1.977 1.00 0.00 O ATOM 549 CB LEU A 38 8.004 -2.918 -0.711 1.00 0.00 C ATOM 550 CG LEU A 38 7.350 -2.897 -2.094 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.838 -3.104 -1.989 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.702 -1.613 -2.848 1.00 0.00 C ATOM 0 H LEU A 38 8.887 -0.799 0.200 1.00 0.00 H new ATOM 0 HA LEU A 38 6.291 -1.911 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.017 -2.526 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.092 -3.955 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 38 7.749 -3.730 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.398 -3.085 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.634 -4.067 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.403 -2.308 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.224 -1.624 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.350 -0.751 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.783 -1.549 -2.972 1.00 0.00 H new ATOM 563 N THR A 39 8.168 -3.096 2.407 1.00 0.00 N ATOM 564 CA THR A 39 8.122 -3.830 3.660 1.00 0.00 C ATOM 565 C THR A 39 7.321 -3.051 4.706 1.00 0.00 C ATOM 566 O THR A 39 6.604 -3.642 5.511 1.00 0.00 O ATOM 567 CB THR A 39 9.560 -4.122 4.091 1.00 0.00 C ATOM 568 OG1 THR A 39 10.042 -5.029 3.102 1.00 0.00 O ATOM 569 CG2 THR A 39 9.632 -4.922 5.394 1.00 0.00 C ATOM 0 H THR A 39 9.090 -2.740 2.155 1.00 0.00 H new ATOM 0 HA THR A 39 7.604 -4.781 3.541 1.00 0.00 H new ATOM 0 HB THR A 39 10.099 -3.182 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.376 -4.525 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.675 -5.101 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.151 -4.359 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.121 -5.876 5.264 1.00 0.00 H new ATOM 577 N LYS A 40 7.472 -1.735 4.659 1.00 0.00 N ATOM 578 CA LYS A 40 6.772 -0.869 5.591 1.00 0.00 C ATOM 579 C LYS A 40 5.263 -1.025 5.392 1.00 0.00 C ATOM 580 O LYS A 40 4.506 -1.068 6.362 1.00 0.00 O ATOM 581 CB LYS A 40 7.263 0.574 5.454 1.00 0.00 C ATOM 582 CG LYS A 40 8.068 0.998 6.685 1.00 0.00 C ATOM 583 CD LYS A 40 8.865 2.274 6.405 1.00 0.00 C ATOM 584 CE LYS A 40 10.137 1.964 5.616 1.00 0.00 C ATOM 585 NZ LYS A 40 11.308 2.621 6.240 1.00 0.00 N ATOM 0 H LYS A 40 8.069 -1.248 3.990 1.00 0.00 H new ATOM 0 HA LYS A 40 6.991 -1.161 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.881 0.669 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.411 1.241 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.394 1.163 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.748 0.196 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.248 2.977 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.126 2.758 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.295 0.886 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.026 2.306 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.025 2.817 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.010 3.514 6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.713 1.994 6.965 1.00 0.00 H new ATOM 595 N ALA A 41 4.870 -1.107 4.130 1.00 0.00 N ATOM 596 CA ALA A 41 3.464 -1.258 3.791 1.00 0.00 C ATOM 597 C ALA A 41 2.992 -2.652 4.210 1.00 0.00 C ATOM 598 O ALA A 41 1.944 -2.792 4.839 1.00 0.00 O ATOM 599 CB ALA A 41 3.268 -0.999 2.297 1.00 0.00 C ATOM 0 H ALA A 41 5.500 -1.072 3.329 1.00 0.00 H new ATOM 0 HA ALA A 41 2.858 -0.529 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.214 -1.112 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.592 0.014 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.858 -1.714 1.723 1.00 0.00 H new ATOM 605 N LEU A 42 3.785 -3.646 3.841 1.00 0.00 N ATOM 606 CA LEU A 42 3.461 -5.024 4.170 1.00 0.00 C ATOM 607 C LEU A 42 3.396 -5.179 5.690 1.00 0.00 C ATOM 608 O LEU A 42 2.459 -5.778 6.217 1.00 0.00 O ATOM 609 CB LEU A 42 4.444 -5.982 3.496 1.00 0.00 C ATOM 610 CG LEU A 42 4.404 -6.018 1.966 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.581 -7.446 1.447 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.123 -5.369 1.436 1.00 0.00 C ATOM 0 H LEU A 42 4.652 -3.525 3.317 1.00 0.00 H new ATOM 0 HA LEU A 42 2.478 -5.287 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.454 -5.713 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.253 -6.988 3.868 1.00 0.00 H new ATOM 0 HG LEU A 42 5.242 -5.432 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.549 -7.444 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.542 -7.838 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.779 -8.075 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.119 -5.408 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.257 -5.907 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.080 -4.330 1.762 1.00 0.00 H new ATOM 623 N HIS A 43 4.403 -4.629 6.353 1.00 0.00 N ATOM 624 CA HIS A 43 4.472 -4.700 7.803 1.00 0.00 C ATOM 625 C HIS A 43 3.238 -4.028 8.409 1.00 0.00 C ATOM 626 O HIS A 43 2.796 -4.396 9.496 1.00 0.00 O ATOM 627 CB HIS A 43 5.784 -4.101 8.313 1.00 0.00 C ATOM 628 CG HIS A 43 6.195 -4.599 9.679 1.00 0.00 C ATOM 629 ND1 HIS A 43 6.139 -3.809 10.814 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.669 -5.814 10.078 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.562 -4.525 11.844 1.00 0.00 C ATOM 632 NE2 HIS A 43 6.891 -5.768 11.386 1.00 0.00 N ATOM 0 H HIS A 43 5.178 -4.132 5.913 1.00 0.00 H new ATOM 0 HA HIS A 43 4.468 -5.743 8.121 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.577 -4.329 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.688 -3.016 8.347 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.835 -6.668 9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.634 -4.185 12.867 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.249 -6.535 11.955 1.00 0.00 H new ATOM 639 N LEU A 44 2.716 -3.054 7.678 1.00 0.00 N ATOM 640 CA LEU A 44 1.542 -2.327 8.130 1.00 0.00 C ATOM 641 C LEU A 44 0.348 -3.282 8.193 1.00 0.00 C ATOM 642 O LEU A 44 -0.450 -3.224 9.127 1.00 0.00 O ATOM 643 CB LEU A 44 1.300 -1.099 7.250 1.00 0.00 C ATOM 644 CG LEU A 44 1.528 0.259 7.916 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.963 1.393 7.058 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.957 0.276 9.336 1.00 0.00 C ATOM 0 H LEU A 44 3.084 -2.751 6.776 1.00 0.00 H new ATOM 0 HA LEU A 44 1.698 -1.943 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.951 -1.168 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.273 -1.135 6.885 1.00 0.00 H new ATOM 0 HG LEU A 44 2.603 0.422 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.139 2.347 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.456 1.394 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.108 1.247 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.132 1.253 9.787 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.115 0.080 9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.446 -0.493 9.934 1.00 0.00 H new ATOM 657 N LEU A 45 0.264 -4.140 7.186 1.00 0.00 N ATOM 658 CA LEU A 45 -0.818 -5.107 7.115 1.00 0.00 C ATOM 659 C LEU A 45 -0.677 -6.109 8.262 1.00 0.00 C ATOM 660 O LEU A 45 -1.651 -6.410 8.951 1.00 0.00 O ATOM 661 CB LEU A 45 -0.864 -5.759 5.731 1.00 0.00 C ATOM 662 CG LEU A 45 -1.304 -4.855 4.578 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.303 -4.912 3.423 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.724 -5.199 4.124 1.00 0.00 C ATOM 0 H LEU A 45 0.928 -4.185 6.413 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.781 -4.611 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.128 -6.150 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.540 -6.613 5.776 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.321 -3.826 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.640 -4.260 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.675 -4.581 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.229 -5.936 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.013 -4.542 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.758 -6.235 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.415 -5.065 4.957 1.00 0.00 H new ATOM 675 N LYS A 46 0.543 -6.597 8.433 1.00 0.00 N ATOM 676 CA LYS A 46 0.823 -7.559 9.485 1.00 0.00 C ATOM 677 C LYS A 46 0.736 -6.861 10.845 1.00 0.00 C ATOM 678 O LYS A 46 0.403 -7.490 11.848 1.00 0.00 O ATOM 679 CB LYS A 46 2.165 -8.250 9.235 1.00 0.00 C ATOM 680 CG LYS A 46 1.960 -9.701 8.793 1.00 0.00 C ATOM 681 CD LYS A 46 3.004 -10.109 7.750 1.00 0.00 C ATOM 682 CE LYS A 46 2.396 -10.132 6.346 1.00 0.00 C ATOM 683 NZ LYS A 46 1.827 -11.467 6.051 1.00 0.00 N ATOM 0 H LYS A 46 1.349 -6.344 7.861 1.00 0.00 H new ATOM 0 HA LYS A 46 0.076 -8.353 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.720 -7.708 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.766 -8.224 10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.027 -10.361 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.959 -9.821 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.841 -9.412 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.402 -11.094 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.618 -9.373 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.159 -9.884 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.418 -11.467 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.578 -12.184 6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.085 -11.689 6.745 1.00 0.00 H new ATOM 693 N ALA A 47 1.040 -5.572 10.833 1.00 0.00 N ATOM 694 CA ALA A 47 0.999 -4.782 12.052 1.00 0.00 C ATOM 695 C ALA A 47 -0.441 -4.340 12.320 1.00 0.00 C ATOM 696 O ALA A 47 -0.711 -3.658 13.307 1.00 0.00 O ATOM 697 CB ALA A 47 1.959 -3.598 11.926 1.00 0.00 C ATOM 0 H ALA A 47 1.316 -5.054 9.998 1.00 0.00 H new ATOM 0 HA ALA A 47 1.325 -5.376 12.906 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.928 -3.006 12.840 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.972 -3.967 11.767 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.662 -2.977 11.081 1.00 0.00 H new ATOM 703 N GLY A 48 -1.328 -4.746 11.424 1.00 0.00 N ATOM 704 CA GLY A 48 -2.734 -4.400 11.552 1.00 0.00 C ATOM 705 C GLY A 48 -3.012 -3.015 10.965 1.00 0.00 C ATOM 706 O GLY A 48 -2.532 -2.009 11.485 1.00 0.00 O ATOM 0 H GLY A 48 -1.101 -5.311 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.344 -5.145 11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.023 -4.418 12.603 1.00 0.00 H new ATOM 710 N CYS A 49 -3.787 -3.008 9.890 1.00 0.00 N ATOM 711 CA CYS A 49 -4.136 -1.762 9.228 1.00 0.00 C ATOM 712 C CYS A 49 -5.638 -1.776 8.937 1.00 0.00 C ATOM 713 O CYS A 49 -6.125 -2.640 8.210 1.00 0.00 O ATOM 714 CB CYS A 49 -3.312 -1.547 7.957 1.00 0.00 C ATOM 715 SG CYS A 49 -2.002 -0.305 8.263 1.00 0.00 S ATOM 0 H CYS A 49 -4.183 -3.845 9.461 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.901 -0.922 9.882 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.865 -2.489 7.640 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.959 -1.213 7.146 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.792 -0.202 9.542 1.00 0.00 H new ATOM 720 N SER A 50 -6.330 -0.809 9.522 1.00 0.00 N ATOM 721 CA SER A 50 -7.767 -0.700 9.335 1.00 0.00 C ATOM 722 C SER A 50 -8.127 -0.980 7.875 1.00 0.00 C ATOM 723 O SER A 50 -7.273 -0.901 6.994 1.00 0.00 O ATOM 724 CB SER A 50 -8.272 0.684 9.750 1.00 0.00 C ATOM 725 OG SER A 50 -7.207 1.618 9.900 1.00 0.00 O ATOM 0 H SER A 50 -5.923 -0.095 10.125 1.00 0.00 H new ATOM 0 HA SER A 50 -8.252 -1.441 9.971 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.975 1.053 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.819 0.604 10.690 1.00 0.00 H new ATOM 0 HG SER A 50 -7.571 2.489 10.164 1.00 0.00 H new ATOM 730 N PRO A 51 -9.429 -1.311 7.658 1.00 0.00 N ATOM 731 CA PRO A 51 -9.913 -1.604 6.319 1.00 0.00 C ATOM 732 C PRO A 51 -10.067 -0.322 5.499 1.00 0.00 C ATOM 733 O PRO A 51 -10.386 -0.375 4.313 1.00 0.00 O ATOM 734 CB PRO A 51 -11.229 -2.335 6.529 1.00 0.00 C ATOM 735 CG PRO A 51 -11.662 -2.017 7.951 1.00 0.00 C ATOM 736 CD PRO A 51 -10.470 -1.414 8.677 1.00 0.00 C ATOM 0 HA PRO A 51 -9.218 -2.217 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.978 -2.004 5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.105 -3.409 6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.500 -1.320 7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.001 -2.920 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.713 -0.437 9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.151 -2.045 9.507 1.00 0.00 H new ATOM 741 N ALA A 52 -9.830 0.800 6.164 1.00 0.00 N ATOM 742 CA ALA A 52 -9.938 2.093 5.511 1.00 0.00 C ATOM 743 C ALA A 52 -8.793 2.250 4.508 1.00 0.00 C ATOM 744 O ALA A 52 -8.997 2.743 3.399 1.00 0.00 O ATOM 745 CB ALA A 52 -9.942 3.200 6.567 1.00 0.00 C ATOM 0 H ALA A 52 -9.564 0.840 7.148 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.874 2.166 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.023 4.170 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.790 3.060 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.016 3.159 7.140 1.00 0.00 H new ATOM 751 N VAL A 53 -7.614 1.820 4.932 1.00 0.00 N ATOM 752 CA VAL A 53 -6.437 1.907 4.085 1.00 0.00 C ATOM 753 C VAL A 53 -6.537 0.861 2.973 1.00 0.00 C ATOM 754 O VAL A 53 -6.016 1.062 1.877 1.00 0.00 O ATOM 755 CB VAL A 53 -5.171 1.761 4.931 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.942 2.266 4.172 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.322 2.482 6.272 1.00 0.00 C ATOM 0 H VAL A 53 -7.449 1.410 5.851 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.381 2.885 3.608 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.025 0.700 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.056 2.151 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.818 1.689 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.076 3.319 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.408 2.363 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.505 3.542 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.161 2.055 6.822 1.00 0.00 H new ATOM 767 N GLN A 54 -7.209 -0.236 3.293 1.00 0.00 N ATOM 768 CA GLN A 54 -7.383 -1.314 2.336 1.00 0.00 C ATOM 769 C GLN A 54 -8.156 -0.817 1.112 1.00 0.00 C ATOM 770 O GLN A 54 -7.851 -1.200 -0.017 1.00 0.00 O ATOM 771 CB GLN A 54 -8.086 -2.511 2.979 1.00 0.00 C ATOM 772 CG GLN A 54 -7.234 -3.109 4.099 1.00 0.00 C ATOM 773 CD GLN A 54 -7.553 -4.593 4.298 1.00 0.00 C ATOM 774 OE1 GLN A 54 -6.746 -5.468 4.034 1.00 0.00 O ATOM 775 NE2 GLN A 54 -8.772 -4.825 4.777 1.00 0.00 N ATOM 0 H GLN A 54 -7.640 -0.401 4.203 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.397 -1.646 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.051 -2.199 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.284 -3.270 2.223 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.177 -2.989 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.415 -2.567 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.398 -4.045 4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.080 -5.783 4.945 1.00 0.00 H new ATOM 782 N MET A 55 -9.141 0.029 1.377 1.00 0.00 N ATOM 783 CA MET A 55 -9.959 0.582 0.311 1.00 0.00 C ATOM 784 C MET A 55 -9.150 1.550 -0.554 1.00 0.00 C ATOM 785 O MET A 55 -9.345 1.614 -1.768 1.00 0.00 O ATOM 786 CB MET A 55 -11.158 1.315 0.916 1.00 0.00 C ATOM 787 CG MET A 55 -12.037 0.357 1.722 1.00 0.00 C ATOM 788 SD MET A 55 -13.156 -0.507 0.633 1.00 0.00 S ATOM 789 CE MET A 55 -14.125 -1.405 1.834 1.00 0.00 C ATOM 0 H MET A 55 -9.391 0.345 2.314 1.00 0.00 H new ATOM 0 HA MET A 55 -10.304 -0.237 -0.320 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.808 2.122 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.747 1.773 0.122 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.413 -0.358 2.258 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.602 0.912 2.471 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.879 -2.002 1.320 1.00 0.00 H new ATOM 0 HE2 MET A 55 -13.473 -2.061 2.410 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.616 -0.701 2.505 1.00 0.00 H new ATOM 797 N LYS A 56 -8.262 2.280 0.104 1.00 0.00 N ATOM 798 CA LYS A 56 -7.423 3.243 -0.591 1.00 0.00 C ATOM 799 C LYS A 56 -6.492 2.501 -1.552 1.00 0.00 C ATOM 800 O LYS A 56 -6.081 3.052 -2.572 1.00 0.00 O ATOM 801 CB LYS A 56 -6.689 4.135 0.412 1.00 0.00 C ATOM 802 CG LYS A 56 -6.082 5.356 -0.283 1.00 0.00 C ATOM 803 CD LYS A 56 -7.164 6.376 -0.643 1.00 0.00 C ATOM 804 CE LYS A 56 -7.095 7.596 0.276 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.413 8.268 0.347 1.00 0.00 N ATOM 0 H LYS A 56 -8.105 2.225 1.110 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.033 3.916 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.381 4.461 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.902 3.564 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.342 5.820 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.558 5.042 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.042 6.690 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.147 5.912 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.782 7.289 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.344 8.294 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.348 9.094 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.696 8.578 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.121 7.604 0.720 1.00 0.00 H new ATOM 815 N ILE A 57 -6.186 1.264 -1.192 1.00 0.00 N ATOM 816 CA ILE A 57 -5.310 0.441 -2.010 1.00 0.00 C ATOM 817 C ILE A 57 -5.996 0.146 -3.346 1.00 0.00 C ATOM 818 O ILE A 57 -5.339 0.082 -4.383 1.00 0.00 O ATOM 819 CB ILE A 57 -4.886 -0.814 -1.245 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.999 -0.456 -0.051 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.213 -1.823 -2.178 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.855 -1.645 0.901 1.00 0.00 C ATOM 0 H ILE A 57 -6.529 0.811 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.387 0.975 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.782 -1.291 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.015 -0.147 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.427 0.392 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.921 -2.706 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.910 -2.112 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.328 -1.371 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.220 -1.364 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.838 -1.936 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.404 -2.484 0.370 1.00 0.00 H new ATOM 833 N LYS A 58 -7.308 -0.027 -3.275 1.00 0.00 N ATOM 834 CA LYS A 58 -8.089 -0.314 -4.466 1.00 0.00 C ATOM 835 C LYS A 58 -8.088 0.914 -5.380 1.00 0.00 C ATOM 836 O LYS A 58 -7.900 0.791 -6.589 1.00 0.00 O ATOM 837 CB LYS A 58 -9.490 -0.796 -4.085 1.00 0.00 C ATOM 838 CG LYS A 58 -9.418 -2.026 -3.177 1.00 0.00 C ATOM 839 CD LYS A 58 -10.777 -2.313 -2.536 1.00 0.00 C ATOM 840 CE LYS A 58 -10.687 -3.494 -1.566 1.00 0.00 C ATOM 841 NZ LYS A 58 -10.476 -3.014 -0.182 1.00 0.00 N ATOM 0 H LYS A 58 -7.849 0.026 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.638 -1.131 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.028 0.004 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.053 -1.037 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.095 -2.891 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.671 -1.865 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.127 -1.428 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.511 -2.530 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.602 -4.084 -1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.867 -4.150 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.685 -3.782 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.487 -2.713 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.107 -2.209 0.006 1.00 0.00 H new ATOM 851 N GLU A 59 -8.301 2.068 -4.766 1.00 0.00 N ATOM 852 CA GLU A 59 -8.328 3.317 -5.508 1.00 0.00 C ATOM 853 C GLU A 59 -6.950 3.607 -6.109 1.00 0.00 C ATOM 854 O GLU A 59 -6.846 4.002 -7.268 1.00 0.00 O ATOM 855 CB GLU A 59 -8.794 4.472 -4.621 1.00 0.00 C ATOM 856 CG GLU A 59 -10.027 4.077 -3.807 1.00 0.00 C ATOM 857 CD GLU A 59 -11.166 5.077 -4.017 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.383 5.452 -5.190 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.795 5.443 -3.000 1.00 0.00 O ATOM 0 H GLU A 59 -8.457 2.165 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.045 3.218 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.989 4.766 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.025 5.339 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.356 3.080 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.769 4.031 -2.749 1.00 0.00 H new ATOM 864 N LEU A 60 -5.929 3.399 -5.292 1.00 0.00 N ATOM 865 CA LEU A 60 -4.562 3.633 -5.727 1.00 0.00 C ATOM 866 C LEU A 60 -4.224 2.670 -6.867 1.00 0.00 C ATOM 867 O LEU A 60 -3.686 3.083 -7.894 1.00 0.00 O ATOM 868 CB LEU A 60 -3.600 3.545 -4.542 1.00 0.00 C ATOM 869 CG LEU A 60 -3.791 4.592 -3.444 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.222 4.100 -2.111 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.193 5.939 -3.860 1.00 0.00 C ATOM 0 H LEU A 60 -6.020 3.071 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.454 4.644 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.696 2.556 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.581 3.626 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.861 4.745 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.371 4.864 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.733 3.185 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.156 3.901 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.342 6.666 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.126 5.821 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.684 6.291 -4.767 1.00 0.00 H new ATOM 882 N TYR A 61 -4.552 1.405 -6.649 1.00 0.00 N ATOM 883 CA TYR A 61 -4.289 0.382 -7.645 1.00 0.00 C ATOM 884 C TYR A 61 -5.145 0.599 -8.894 1.00 0.00 C ATOM 885 O TYR A 61 -4.666 0.437 -10.015 1.00 0.00 O ATOM 886 CB TYR A 61 -4.681 -0.948 -6.997 1.00 0.00 C ATOM 887 CG TYR A 61 -4.317 -2.178 -7.831 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.164 -2.608 -8.833 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.143 -2.858 -7.582 1.00 0.00 C ATOM 890 CE1 TYR A 61 -4.821 -3.765 -9.618 1.00 0.00 C ATOM 891 CE2 TYR A 61 -2.800 -4.016 -8.367 1.00 0.00 C ATOM 892 CZ TYR A 61 -3.656 -4.412 -9.346 1.00 0.00 C ATOM 893 OH TYR A 61 -3.333 -5.506 -10.088 1.00 0.00 O ATOM 0 H TYR A 61 -4.998 1.066 -5.797 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.243 0.406 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.194 -1.024 -6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.756 -0.949 -6.816 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.084 -2.076 -9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.481 -2.522 -6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.474 -4.111 -10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.884 -4.557 -8.182 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.474 -5.866 -9.784 1.00 0.00 H new ATOM 902 N ARG A 62 -6.398 0.961 -8.658 1.00 0.00 N ATOM 903 CA ARG A 62 -7.326 1.201 -9.750 1.00 0.00 C ATOM 904 C ARG A 62 -6.752 2.241 -10.715 1.00 0.00 C ATOM 905 O ARG A 62 -6.630 1.983 -11.911 1.00 0.00 O ATOM 906 CB ARG A 62 -8.677 1.692 -9.226 1.00 0.00 C ATOM 907 CG ARG A 62 -9.584 0.516 -8.861 1.00 0.00 C ATOM 908 CD ARG A 62 -10.661 0.942 -7.861 1.00 0.00 C ATOM 909 NE ARG A 62 -12.004 0.652 -8.409 1.00 0.00 N ATOM 910 CZ ARG A 62 -13.128 0.646 -7.680 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.077 0.915 -6.368 1.00 0.00 N ATOM 912 NH2 ARG A 62 -14.303 0.372 -8.261 1.00 0.00 N ATOM 0 H ARG A 62 -6.792 1.094 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.474 0.257 -10.274 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.524 2.323 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.162 2.309 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.055 0.122 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.986 -0.290 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.522 0.414 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.569 2.007 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.079 0.443 -9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.183 1.124 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.933 0.910 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.343 0.168 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.158 0.368 -7.705 1.00 0.00 H new ATOM 923 N ARG A 63 -6.415 3.395 -10.158 1.00 0.00 N ATOM 924 CA ARG A 63 -5.857 4.476 -10.954 1.00 0.00 C ATOM 925 C ARG A 63 -4.857 3.923 -11.971 1.00 0.00 C ATOM 926 O ARG A 63 -4.817 4.373 -13.115 1.00 0.00 O ATOM 927 CB ARG A 63 -5.156 5.507 -10.068 1.00 0.00 C ATOM 928 CG ARG A 63 -6.144 6.561 -9.565 1.00 0.00 C ATOM 929 CD ARG A 63 -5.516 7.422 -8.467 1.00 0.00 C ATOM 930 NE ARG A 63 -6.353 7.375 -7.247 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.598 7.867 -7.170 1.00 0.00 C ATOM 932 NH1 ARG A 63 -8.157 8.444 -8.243 1.00 0.00 N ATOM 933 NH2 ARG A 63 -8.282 7.780 -6.022 1.00 0.00 N ATOM 0 H ARG A 63 -6.517 3.605 -9.165 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.680 4.963 -11.476 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.690 5.006 -9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.357 5.991 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.458 7.195 -10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.039 6.072 -9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.511 7.064 -8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.418 8.451 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.958 6.941 -6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.635 8.509 -9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.104 8.819 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.856 7.340 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.229 8.154 -5.963 1.00 0.00 H new ATOM 944 N ARG A 64 -4.075 2.955 -11.519 1.00 0.00 N ATOM 945 CA ARG A 64 -3.077 2.335 -12.375 1.00 0.00 C ATOM 946 C ARG A 64 -3.693 1.167 -13.149 1.00 0.00 C ATOM 947 O ARG A 64 -3.270 0.866 -14.263 1.00 0.00 O ATOM 948 CB ARG A 64 -1.888 1.826 -11.558 1.00 0.00 C ATOM 949 CG ARG A 64 -0.749 2.848 -11.553 1.00 0.00 C ATOM 950 CD ARG A 64 0.589 2.175 -11.237 1.00 0.00 C ATOM 951 NE ARG A 64 1.593 2.541 -12.261 1.00 0.00 N ATOM 952 CZ ARG A 64 1.656 1.991 -13.482 1.00 0.00 C ATOM 953 NH1 ARG A 64 0.774 1.048 -13.838 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.602 2.385 -14.345 1.00 0.00 N ATOM 0 H ARG A 64 -4.112 2.584 -10.570 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.724 3.093 -13.074 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.205 1.624 -10.535 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.533 0.883 -11.974 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.693 3.340 -12.524 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.954 3.623 -10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.936 2.481 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.464 1.093 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 64 2.280 3.256 -12.023 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.054 0.748 -13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.822 0.630 -14.767 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.274 3.103 -14.073 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.651 1.967 -15.274 1.00 0.00 H new ATOM 965 N PHE A 65 -4.682 0.543 -12.527 1.00 0.00 N ATOM 966 CA PHE A 65 -5.359 -0.584 -13.142 1.00 0.00 C ATOM 967 C PHE A 65 -4.373 -1.463 -13.914 1.00 0.00 C ATOM 968 O PHE A 65 -4.109 -1.221 -15.090 1.00 0.00 O ATOM 969 CB PHE A 65 -6.385 -0.009 -14.122 1.00 0.00 C ATOM 970 CG PHE A 65 -7.789 -0.598 -13.970 1.00 0.00 C ATOM 971 CD1 PHE A 65 -8.557 -0.258 -12.900 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.269 -1.461 -14.905 1.00 0.00 C ATOM 973 CE1 PHE A 65 -9.860 -0.804 -12.760 1.00 0.00 C ATOM 974 CE2 PHE A 65 -9.572 -2.008 -14.765 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.340 -1.668 -13.695 1.00 0.00 C ATOM 0 H PHE A 65 -5.031 0.797 -11.603 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.828 -1.199 -12.374 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.438 1.071 -13.984 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.037 -0.184 -15.140 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.176 0.427 -12.157 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.659 -1.730 -15.754 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.470 -0.533 -11.911 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.953 -2.693 -15.508 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.331 -2.084 -13.588 1.00 0.00 H new TER 984 PHE A 65