USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= -0.775 USER MOD Set 2.1: A 17 THR OG1 : rot 81:sc= 0.105 USER MOD Set 2.2: A 33 ASN : amide:sc= -1.32 K(o=-1.2,f=-3.6!) USER MOD Set 3.1: A 11 TYR OH : rot 0:sc= -1.53 USER MOD Set 3.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 30:sc= 0.773 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.12 K(o=-1.1,f=-6.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -73:sc= 1.41 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.913 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -3.09 K(o=-3.1,f=-11!) USER MOD Single : A 44 SER OG : rot -31:sc= -0.143 USER MOD Single : A 45 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.075) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -37:sc= 0.363 USER MOD Single : A 52 HIS : no HE2:sc= -2.19 X(o=-2.2,f=-2.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.099 12.106 10.000 1.00 0.00 N ATOM 2 CA LEU A 1 9.519 12.263 8.654 1.00 0.00 C ATOM 3 C LEU A 1 10.495 11.743 7.609 1.00 0.00 C ATOM 4 O LEU A 1 11.342 12.483 7.106 1.00 0.00 O ATOM 5 CB LEU A 1 9.142 13.740 8.489 1.00 0.00 C ATOM 6 CG LEU A 1 7.670 14.097 8.632 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.493 15.581 8.919 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.950 13.722 7.340 1.00 0.00 C ATOM 0 H1 LEU A 1 9.429 12.463 10.711 1.00 0.00 H new ATOM 0 H2 LEU A 1 10.292 11.100 10.180 1.00 0.00 H new ATOM 0 H3 LEU A 1 10.987 12.645 10.061 1.00 0.00 H new ATOM 0 HA LEU A 1 8.613 11.672 8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.703 14.317 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.476 14.067 7.504 1.00 0.00 H new ATOM 0 HG LEU A 1 7.247 13.545 9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.432 15.809 9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.006 15.836 9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.915 16.163 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.893 13.972 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.386 14.274 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.056 12.652 7.162 1.00 0.00 H new ATOM 22 N ALA A 2 10.265 10.506 7.174 1.00 0.00 N ATOM 23 CA ALA A 2 10.971 9.963 6.019 1.00 0.00 C ATOM 24 C ALA A 2 9.978 9.489 4.966 1.00 0.00 C ATOM 25 O ALA A 2 9.637 8.310 4.894 1.00 0.00 O ATOM 26 CB ALA A 2 11.901 8.835 6.454 1.00 0.00 C ATOM 0 H ALA A 2 9.598 9.864 7.603 1.00 0.00 H new ATOM 0 HA ALA A 2 11.580 10.749 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.423 8.437 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.629 9.219 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.317 8.042 6.921 1.00 0.00 H new ATOM 32 N ALA A 3 9.367 10.457 4.287 1.00 0.00 N ATOM 33 CA ALA A 3 8.330 10.168 3.309 1.00 0.00 C ATOM 34 C ALA A 3 7.141 9.484 3.979 1.00 0.00 C ATOM 35 O ALA A 3 7.190 9.142 5.160 1.00 0.00 O ATOM 36 CB ALA A 3 8.888 9.310 2.178 1.00 0.00 C ATOM 0 H ALA A 3 9.575 11.449 4.399 1.00 0.00 H new ATOM 0 HA ALA A 3 7.983 11.108 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.099 9.103 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.701 9.842 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.263 8.371 2.585 1.00 0.00 H new ATOM 42 N VAL A 4 6.154 9.128 3.162 1.00 0.00 N ATOM 43 CA VAL A 4 5.100 8.217 3.596 1.00 0.00 C ATOM 44 C VAL A 4 5.042 7.002 2.674 1.00 0.00 C ATOM 45 O VAL A 4 5.112 7.136 1.451 1.00 0.00 O ATOM 46 CB VAL A 4 3.756 8.967 3.706 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.194 9.362 2.346 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.734 8.172 4.504 1.00 0.00 C ATOM 0 H VAL A 4 6.062 9.455 2.200 1.00 0.00 H new ATOM 0 HA VAL A 4 5.324 7.839 4.594 1.00 0.00 H new ATOM 0 HB VAL A 4 3.965 9.890 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.248 9.886 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.901 10.016 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.030 8.467 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.801 8.732 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.554 7.215 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.114 7.998 5.511 1.00 0.00 H new ATOM 58 N SER A 5 5.158 5.824 3.280 1.00 0.00 N ATOM 59 CA SER A 5 5.334 4.592 2.525 1.00 0.00 C ATOM 60 C SER A 5 5.298 3.385 3.463 1.00 0.00 C ATOM 61 O SER A 5 6.199 3.210 4.287 1.00 0.00 O ATOM 62 CB SER A 5 6.620 4.611 1.710 1.00 0.00 C ATOM 63 OG SER A 5 7.762 4.504 2.541 1.00 0.00 O ATOM 0 H SER A 5 5.133 5.699 4.292 1.00 0.00 H new ATOM 0 HA SER A 5 4.507 4.510 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.611 3.789 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.673 5.535 1.134 1.00 0.00 H new ATOM 0 HG SER A 5 7.536 3.989 3.343 1.00 0.00 H new ATOM 69 N VAL A 6 4.422 2.436 3.142 1.00 0.00 N ATOM 70 CA VAL A 6 4.550 1.076 3.662 1.00 0.00 C ATOM 71 C VAL A 6 5.417 0.240 2.717 1.00 0.00 C ATOM 72 O VAL A 6 5.664 0.666 1.581 1.00 0.00 O ATOM 73 CB VAL A 6 3.166 0.466 3.936 1.00 0.00 C ATOM 74 CG1 VAL A 6 2.284 0.412 2.694 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.270 -0.905 4.585 1.00 0.00 C ATOM 0 H VAL A 6 3.620 2.581 2.528 1.00 0.00 H new ATOM 0 HA VAL A 6 5.061 1.091 4.625 1.00 0.00 H new ATOM 0 HB VAL A 6 2.680 1.139 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.321 -0.028 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.131 1.421 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.768 -0.196 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.270 -1.301 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.816 -1.579 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.799 -0.819 5.534 1.00 0.00 H new ATOM 85 N ASP A 7 6.180 -0.676 3.311 1.00 0.00 N ATOM 86 CA ASP A 7 7.337 -1.265 2.644 1.00 0.00 C ATOM 87 C ASP A 7 6.891 -2.320 1.639 1.00 0.00 C ATOM 88 O ASP A 7 5.921 -3.043 1.861 1.00 0.00 O ATOM 89 CB ASP A 7 8.374 -1.754 3.652 1.00 0.00 C ATOM 90 CG ASP A 7 9.733 -2.022 3.032 1.00 0.00 C ATOM 91 OD1 ASP A 7 10.402 -1.096 2.549 1.00 0.00 O ATOM 92 OD2 ASP A 7 10.077 -3.221 2.952 1.00 0.00 O ATOM 0 H ASP A 7 6.016 -1.026 4.255 1.00 0.00 H new ATOM 0 HA ASP A 7 7.850 -0.496 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.483 -1.010 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.011 -2.667 4.123 1.00 0.00 H new ATOM 97 N CYS A 8 7.559 -2.337 0.488 1.00 0.00 N ATOM 98 CA CYS A 8 7.048 -3.069 -0.669 1.00 0.00 C ATOM 99 C CYS A 8 8.192 -3.793 -1.373 1.00 0.00 C ATOM 100 O CYS A 8 8.203 -3.944 -2.593 1.00 0.00 O ATOM 101 CB CYS A 8 6.291 -2.149 -1.622 1.00 0.00 C ATOM 102 SG CYS A 8 4.953 -1.201 -0.853 1.00 0.00 S ATOM 0 H CYS A 8 8.446 -1.858 0.332 1.00 0.00 H new ATOM 0 HA CYS A 8 6.333 -3.815 -0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.999 -1.453 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.875 -2.749 -2.431 1.00 0.00 H new ATOM 107 N SER A 9 9.269 -4.002 -0.609 1.00 0.00 N ATOM 108 CA SER A 9 10.493 -4.557 -1.157 1.00 0.00 C ATOM 109 C SER A 9 10.292 -5.987 -1.648 1.00 0.00 C ATOM 110 O SER A 9 11.201 -6.576 -2.245 1.00 0.00 O ATOM 111 CB SER A 9 11.641 -4.481 -0.153 1.00 0.00 C ATOM 112 OG SER A 9 12.888 -4.344 -0.808 1.00 0.00 O ATOM 0 H SER A 9 9.310 -3.793 0.388 1.00 0.00 H new ATOM 0 HA SER A 9 10.763 -3.946 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.485 -3.636 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.648 -5.380 0.463 1.00 0.00 H new ATOM 0 HG SER A 9 13.604 -4.296 -0.141 1.00 0.00 H new ATOM 118 N GLU A 10 9.276 -6.639 -1.086 1.00 0.00 N ATOM 119 CA GLU A 10 9.135 -8.085 -1.184 1.00 0.00 C ATOM 120 C GLU A 10 7.748 -8.449 -1.707 1.00 0.00 C ATOM 121 O GLU A 10 7.151 -9.441 -1.284 1.00 0.00 O ATOM 122 CB GLU A 10 9.388 -8.669 0.210 1.00 0.00 C ATOM 123 CG GLU A 10 8.755 -8.238 1.402 1.00 0.00 C ATOM 124 CD GLU A 10 8.738 -6.758 1.676 1.00 0.00 C ATOM 125 OE1 GLU A 10 9.745 -6.058 1.608 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.592 -6.277 1.470 1.00 0.00 O ATOM 0 H GLU A 10 8.535 -6.182 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 10 9.854 -8.500 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.178 -9.736 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.459 -8.567 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.723 -8.590 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.244 -8.731 2.242 1.00 0.00 H new ATOM 133 N TYR A 11 7.421 -7.863 -2.860 1.00 0.00 N ATOM 134 CA TYR A 11 6.169 -8.165 -3.539 1.00 0.00 C ATOM 135 C TYR A 11 6.460 -8.602 -4.984 1.00 0.00 C ATOM 136 O TYR A 11 7.557 -8.338 -5.482 1.00 0.00 O ATOM 137 CB TYR A 11 5.224 -6.948 -3.520 1.00 0.00 C ATOM 138 CG TYR A 11 4.594 -6.675 -2.170 1.00 0.00 C ATOM 139 CD1 TYR A 11 5.387 -6.278 -1.093 1.00 0.00 C ATOM 140 CD2 TYR A 11 3.254 -6.983 -1.919 1.00 0.00 C ATOM 141 CE1 TYR A 11 4.854 -6.129 0.184 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.710 -6.867 -0.641 1.00 0.00 C ATOM 143 CZ TYR A 11 3.516 -6.426 0.406 1.00 0.00 C ATOM 144 OH TYR A 11 3.038 -6.304 1.681 1.00 0.00 O ATOM 0 H TYR A 11 8.007 -7.179 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 11 5.671 -8.979 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.780 -6.065 -3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.433 -7.104 -4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.437 -6.082 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.627 -7.318 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.477 -5.785 0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.674 -7.116 -0.464 1.00 0.00 H new ATOM 0 HH TYR A 11 3.760 -6.009 2.274 1.00 0.00 H new ATOM 154 N PRO A 12 5.597 -9.445 -5.565 1.00 0.00 N ATOM 155 CA PRO A 12 4.193 -9.535 -5.133 1.00 0.00 C ATOM 156 C PRO A 12 3.989 -10.816 -4.344 1.00 0.00 C ATOM 157 O PRO A 12 4.919 -11.601 -4.148 1.00 0.00 O ATOM 158 CB PRO A 12 3.553 -9.333 -6.502 1.00 0.00 C ATOM 159 CG PRO A 12 4.605 -9.713 -7.533 1.00 0.00 C ATOM 160 CD PRO A 12 5.876 -10.092 -6.793 1.00 0.00 C ATOM 0 HA PRO A 12 3.764 -8.838 -4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.663 -9.953 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.238 -8.298 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.257 -10.547 -8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.793 -8.880 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.999 -11.170 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.777 -9.714 -7.276 1.00 0.00 H new ATOM 168 N LYS A 13 2.831 -10.904 -3.691 1.00 0.00 N ATOM 169 CA LYS A 13 2.551 -11.989 -2.764 1.00 0.00 C ATOM 170 C LYS A 13 1.590 -12.995 -3.405 1.00 0.00 C ATOM 171 O LYS A 13 1.281 -12.859 -4.599 1.00 0.00 O ATOM 172 CB LYS A 13 1.936 -11.482 -1.459 1.00 0.00 C ATOM 173 CG LYS A 13 2.816 -10.481 -0.707 1.00 0.00 C ATOM 174 CD LYS A 13 3.239 -10.972 0.664 1.00 0.00 C ATOM 175 CE LYS A 13 4.683 -10.859 0.942 1.00 0.00 C ATOM 176 NZ LYS A 13 4.946 -10.372 2.303 1.00 0.00 N ATOM 0 H LYS A 13 2.071 -10.231 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 13 3.503 -12.468 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.976 -11.014 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.734 -12.333 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.705 -10.270 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.275 -9.541 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.692 -10.409 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.944 -12.016 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.155 -11.832 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.139 -10.181 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.973 -10.307 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.518 -9.432 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.534 -11.032 2.993 1.00 0.00 H new ATOM 190 N PRO A 14 1.341 -14.158 -2.782 1.00 0.00 N ATOM 191 CA PRO A 14 0.345 -15.113 -3.265 1.00 0.00 C ATOM 192 C PRO A 14 -0.997 -14.865 -2.610 1.00 0.00 C ATOM 193 O PRO A 14 -2.038 -15.326 -3.092 1.00 0.00 O ATOM 194 CB PRO A 14 1.129 -16.396 -3.027 1.00 0.00 C ATOM 195 CG PRO A 14 2.272 -16.054 -2.089 1.00 0.00 C ATOM 196 CD PRO A 14 2.135 -14.595 -1.693 1.00 0.00 C ATOM 0 HA PRO A 14 -0.003 -15.084 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.489 -17.163 -2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.509 -16.795 -3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.244 -16.693 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.231 -16.228 -2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.643 -14.462 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.094 -14.080 -1.635 1.00 0.00 H new ATOM 204 N ALA A 15 -0.958 -14.304 -1.403 1.00 0.00 N ATOM 205 CA ALA A 15 -2.161 -14.127 -0.601 1.00 0.00 C ATOM 206 C ALA A 15 -2.097 -12.811 0.168 1.00 0.00 C ATOM 207 O ALA A 15 -1.083 -12.115 0.149 1.00 0.00 O ATOM 208 CB ALA A 15 -2.343 -15.308 0.347 1.00 0.00 C ATOM 0 H ALA A 15 -0.104 -13.965 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.025 -14.089 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.246 -15.163 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.433 -16.228 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.481 -15.379 1.010 1.00 0.00 H new ATOM 214 N CYS A 16 -3.258 -12.385 0.662 1.00 0.00 N ATOM 215 CA CYS A 16 -3.401 -11.050 1.226 1.00 0.00 C ATOM 216 C CYS A 16 -4.298 -11.087 2.461 1.00 0.00 C ATOM 217 O CYS A 16 -5.330 -11.763 2.464 1.00 0.00 O ATOM 218 CB CYS A 16 -3.928 -10.065 0.184 1.00 0.00 C ATOM 219 SG CYS A 16 -2.858 -9.869 -1.263 1.00 0.00 S ATOM 0 H CYS A 16 -4.110 -12.946 0.682 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.416 -10.700 1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.912 -10.397 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.063 -9.092 0.656 1.00 0.00 H new ATOM 224 N THR A 17 -4.042 -10.161 3.383 1.00 0.00 N ATOM 225 CA THR A 17 -5.014 -9.827 4.417 1.00 0.00 C ATOM 226 C THR A 17 -6.184 -9.055 3.812 1.00 0.00 C ATOM 227 O THR A 17 -6.002 -8.251 2.896 1.00 0.00 O ATOM 228 CB THR A 17 -4.360 -9.010 5.605 1.00 0.00 C ATOM 229 OG1 THR A 17 -3.368 -8.125 4.998 1.00 0.00 O ATOM 230 CG2 THR A 17 -3.757 -9.886 6.702 1.00 0.00 C ATOM 0 H THR A 17 -3.172 -9.631 3.434 1.00 0.00 H new ATOM 0 HA THR A 17 -5.384 -10.763 4.836 1.00 0.00 H new ATOM 0 HB THR A 17 -5.131 -8.445 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.814 -7.329 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.329 -9.253 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.535 -10.515 7.134 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.976 -10.516 6.276 1.00 0.00 H new ATOM 238 N LEU A 18 -7.393 -9.450 4.204 1.00 0.00 N ATOM 239 CA LEU A 18 -8.593 -9.032 3.481 1.00 0.00 C ATOM 240 C LEU A 18 -9.167 -7.757 4.085 1.00 0.00 C ATOM 241 O LEU A 18 -9.998 -7.084 3.470 1.00 0.00 O ATOM 242 CB LEU A 18 -9.569 -10.220 3.486 1.00 0.00 C ATOM 243 CG LEU A 18 -10.330 -10.469 4.778 1.00 0.00 C ATOM 244 CD1 LEU A 18 -11.550 -9.564 4.874 1.00 0.00 C ATOM 245 CD2 LEU A 18 -10.754 -11.934 4.821 1.00 0.00 C ATOM 0 H LEU A 18 -7.568 -10.052 5.009 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.372 -8.775 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.295 -10.068 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.009 -11.122 3.241 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.683 -10.244 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.077 -9.762 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.232 -8.522 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.215 -9.760 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.302 -12.127 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.394 -12.153 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.870 -12.570 4.784 1.00 0.00 H new ATOM 257 N GLU A 19 -8.938 -7.596 5.389 1.00 0.00 N ATOM 258 CA GLU A 19 -9.544 -6.510 6.141 1.00 0.00 C ATOM 259 C GLU A 19 -9.091 -5.159 5.581 1.00 0.00 C ATOM 260 O GLU A 19 -7.988 -5.050 5.039 1.00 0.00 O ATOM 261 CB GLU A 19 -9.123 -6.665 7.607 1.00 0.00 C ATOM 262 CG GLU A 19 -7.853 -6.294 8.123 1.00 0.00 C ATOM 263 CD GLU A 19 -6.824 -7.377 8.246 1.00 0.00 C ATOM 264 OE1 GLU A 19 -6.812 -8.387 7.564 1.00 0.00 O ATOM 265 OE2 GLU A 19 -6.013 -7.156 9.171 1.00 0.00 O ATOM 0 H GLU A 19 -8.336 -8.207 5.941 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.630 -6.547 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.859 -6.114 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.250 -7.721 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.445 -5.510 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.003 -5.856 9.110 1.00 0.00 H new ATOM 272 N TYR A 20 -10.057 -4.257 5.428 1.00 0.00 N ATOM 273 CA TYR A 20 -9.885 -3.090 4.568 1.00 0.00 C ATOM 274 C TYR A 20 -9.292 -1.931 5.357 1.00 0.00 C ATOM 275 O TYR A 20 -9.906 -1.403 6.282 1.00 0.00 O ATOM 276 CB TYR A 20 -11.213 -2.693 3.899 1.00 0.00 C ATOM 277 CG TYR A 20 -11.135 -1.441 3.044 1.00 0.00 C ATOM 278 CD1 TYR A 20 -10.682 -1.525 1.727 1.00 0.00 C ATOM 279 CD2 TYR A 20 -11.762 -0.257 3.446 1.00 0.00 C ATOM 280 CE1 TYR A 20 -10.776 -0.443 0.856 1.00 0.00 C ATOM 281 CE2 TYR A 20 -11.861 0.838 2.588 1.00 0.00 C ATOM 282 CZ TYR A 20 -11.363 0.737 1.290 1.00 0.00 C ATOM 283 OH TYR A 20 -11.501 1.754 0.386 1.00 0.00 O ATOM 0 H TYR A 20 -10.966 -4.312 5.888 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.186 -3.350 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.555 -3.521 3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.965 -2.543 4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.249 -2.450 1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.178 -0.189 4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.394 -0.522 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.319 1.756 2.926 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.423 2.085 0.404 1.00 0.00 H new ATOM 293 N ARG A 21 -8.083 -1.532 4.963 1.00 0.00 N ATOM 294 CA ARG A 21 -7.490 -0.305 5.484 1.00 0.00 C ATOM 295 C ARG A 21 -6.765 0.433 4.347 1.00 0.00 C ATOM 296 O ARG A 21 -5.633 0.026 4.039 1.00 0.00 O ATOM 297 CB ARG A 21 -6.512 -0.581 6.626 1.00 0.00 C ATOM 298 CG ARG A 21 -6.869 -1.776 7.501 1.00 0.00 C ATOM 299 CD ARG A 21 -5.895 -1.958 8.613 1.00 0.00 C ATOM 300 NE ARG A 21 -6.473 -1.631 9.909 1.00 0.00 N ATOM 301 CZ ARG A 21 -6.606 -0.381 10.357 1.00 0.00 C ATOM 302 NH1 ARG A 21 -6.036 0.646 9.732 1.00 0.00 N ATOM 303 NH2 ARG A 21 -7.277 -0.163 11.488 1.00 0.00 N ATOM 0 H ARG A 21 -7.502 -2.035 4.292 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.294 0.313 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.520 -0.741 6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.451 0.307 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.869 -1.639 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.896 -2.678 6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.546 -2.991 8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.023 -1.328 8.437 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.792 -2.396 10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.482 0.487 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.153 1.592 10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.682 -0.947 12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.386 0.788 11.841 1.00 0.00 H new ATOM 317 N PRO A 22 -7.455 1.200 3.469 1.00 0.00 N ATOM 318 CA PRO A 22 -6.968 1.499 2.120 1.00 0.00 C ATOM 319 C PRO A 22 -5.570 2.128 2.199 1.00 0.00 C ATOM 320 O PRO A 22 -5.298 2.931 3.092 1.00 0.00 O ATOM 321 CB PRO A 22 -8.119 2.334 1.583 1.00 0.00 C ATOM 322 CG PRO A 22 -9.084 2.531 2.742 1.00 0.00 C ATOM 323 CD PRO A 22 -8.863 1.350 3.663 1.00 0.00 C ATOM 0 HA PRO A 22 -6.772 0.670 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.761 3.293 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.610 1.829 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -8.890 3.472 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.115 2.567 2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -9.128 1.564 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -9.429 0.467 3.365 1.00 0.00 H new ATOM 331 N LEU A 23 -4.885 2.076 1.053 1.00 0.00 N ATOM 332 CA LEU A 23 -3.741 2.936 0.798 1.00 0.00 C ATOM 333 C LEU A 23 -3.841 3.581 -0.576 1.00 0.00 C ATOM 334 O LEU A 23 -4.035 2.905 -1.587 1.00 0.00 O ATOM 335 CB LEU A 23 -2.464 2.096 1.006 1.00 0.00 C ATOM 336 CG LEU A 23 -2.247 1.554 2.405 1.00 0.00 C ATOM 337 CD1 LEU A 23 -2.473 0.049 2.460 1.00 0.00 C ATOM 338 CD2 LEU A 23 -0.843 1.893 2.882 1.00 0.00 C ATOM 0 H LEU A 23 -5.110 1.441 0.287 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.712 3.773 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.488 1.256 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.603 2.707 0.737 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.975 2.024 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.309 -0.307 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.495 -0.177 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.776 -0.448 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.696 1.500 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.112 1.447 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.714 2.975 2.893 1.00 0.00 H new ATOM 350 N CYS A 24 -3.990 4.910 -0.566 1.00 0.00 N ATOM 351 CA CYS A 24 -3.994 5.666 -1.816 1.00 0.00 C ATOM 352 C CYS A 24 -2.582 5.744 -2.384 1.00 0.00 C ATOM 353 O CYS A 24 -1.600 5.529 -1.672 1.00 0.00 O ATOM 354 CB CYS A 24 -4.594 7.056 -1.611 1.00 0.00 C ATOM 355 SG CYS A 24 -5.128 7.872 -3.134 1.00 0.00 S ATOM 0 H CYS A 24 -4.107 5.472 0.277 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.623 5.146 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.448 6.974 -0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.857 7.687 -1.115 1.00 0.00 H new ATOM 360 N GLY A 25 -2.515 5.755 -3.716 1.00 0.00 N ATOM 361 CA GLY A 25 -1.233 5.770 -4.406 1.00 0.00 C ATOM 362 C GLY A 25 -0.922 7.177 -4.914 1.00 0.00 C ATOM 363 O GLY A 25 -1.741 8.088 -4.781 1.00 0.00 O ATOM 0 H GLY A 25 -3.329 5.754 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.445 5.437 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.254 5.070 -5.242 1.00 0.00 H new ATOM 367 N SER A 26 0.343 7.392 -5.270 1.00 0.00 N ATOM 368 CA SER A 26 0.881 8.748 -5.374 1.00 0.00 C ATOM 369 C SER A 26 0.533 9.358 -6.727 1.00 0.00 C ATOM 370 O SER A 26 0.333 10.571 -6.835 1.00 0.00 O ATOM 371 CB SER A 26 2.379 8.776 -5.116 1.00 0.00 C ATOM 372 OG SER A 26 2.813 10.061 -4.707 1.00 0.00 O ATOM 0 H SER A 26 1.010 6.652 -5.490 1.00 0.00 H new ATOM 0 HA SER A 26 0.415 9.357 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.630 8.045 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.910 8.483 -6.021 1.00 0.00 H new ATOM 0 HG SER A 26 3.780 10.044 -4.548 1.00 0.00 H new ATOM 378 N ASP A 27 0.179 8.488 -7.671 1.00 0.00 N ATOM 379 CA ASP A 27 -0.478 8.913 -8.897 1.00 0.00 C ATOM 380 C ASP A 27 -1.901 9.387 -8.600 1.00 0.00 C ATOM 381 O ASP A 27 -2.361 10.382 -9.165 1.00 0.00 O ATOM 382 CB ASP A 27 -0.391 7.854 -9.990 1.00 0.00 C ATOM 383 CG ASP A 27 -0.668 6.446 -9.489 1.00 0.00 C ATOM 384 OD1 ASP A 27 -1.874 6.128 -9.393 1.00 0.00 O ATOM 385 OD2 ASP A 27 0.241 5.782 -8.963 1.00 0.00 O ATOM 0 H ASP A 27 0.338 7.483 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 27 0.057 9.771 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.102 8.098 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.603 7.884 -10.436 1.00 0.00 H new ATOM 390 N ASN A 28 -2.689 8.450 -8.056 1.00 0.00 N ATOM 391 CA ASN A 28 -4.109 8.677 -7.855 1.00 0.00 C ATOM 392 C ASN A 28 -4.746 7.480 -7.132 1.00 0.00 C ATOM 393 O ASN A 28 -5.680 7.681 -6.343 1.00 0.00 O ATOM 394 CB ASN A 28 -4.830 9.063 -9.141 1.00 0.00 C ATOM 395 CG ASN A 28 -4.236 8.432 -10.387 1.00 0.00 C ATOM 396 OD1 ASN A 28 -4.169 7.198 -10.499 1.00 0.00 O ATOM 397 ND2 ASN A 28 -3.924 9.266 -11.378 1.00 0.00 N ATOM 0 H ASN A 28 -2.360 7.534 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.224 9.544 -7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.877 8.772 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.808 10.148 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.614 8.897 -12.277 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.995 10.274 -11.238 1.00 0.00 H new ATOM 404 N LYS A 29 -4.560 6.299 -7.719 1.00 0.00 N ATOM 405 CA LYS A 29 -5.467 5.175 -7.502 1.00 0.00 C ATOM 406 C LYS A 29 -5.522 4.802 -6.026 1.00 0.00 C ATOM 407 O LYS A 29 -4.950 5.477 -5.173 1.00 0.00 O ATOM 408 CB LYS A 29 -5.052 3.947 -8.313 1.00 0.00 C ATOM 409 CG LYS A 29 -5.227 4.114 -9.824 1.00 0.00 C ATOM 410 CD LYS A 29 -6.666 4.355 -10.235 1.00 0.00 C ATOM 411 CE LYS A 29 -7.026 5.773 -10.423 1.00 0.00 C ATOM 412 NZ LYS A 29 -8.462 6.009 -10.227 1.00 0.00 N ATOM 0 H LYS A 29 -3.786 6.096 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.454 5.496 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.007 3.720 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.638 3.090 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.614 4.949 -10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.857 3.221 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.858 3.820 -11.165 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.322 3.925 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.459 6.386 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.741 6.089 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.670 7.018 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.003 5.444 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.731 5.732 -9.261 1.00 0.00 H new ATOM 426 N THR A 30 -6.416 3.862 -5.714 1.00 0.00 N ATOM 427 CA THR A 30 -6.513 3.341 -4.356 1.00 0.00 C ATOM 428 C THR A 30 -6.175 1.853 -4.340 1.00 0.00 C ATOM 429 O THR A 30 -6.286 1.167 -5.356 1.00 0.00 O ATOM 430 CB THR A 30 -7.951 3.591 -3.735 1.00 0.00 C ATOM 431 OG1 THR A 30 -8.504 4.744 -4.445 1.00 0.00 O ATOM 432 CG2 THR A 30 -7.946 3.797 -2.222 1.00 0.00 C ATOM 0 H THR A 30 -7.074 3.452 -6.377 1.00 0.00 H new ATOM 0 HA THR A 30 -5.792 3.877 -3.739 1.00 0.00 H new ATOM 0 HB THR A 30 -8.568 2.702 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.048 5.560 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.966 3.962 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.535 2.912 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.334 4.664 -1.975 1.00 0.00 H new ATOM 440 N TYR A 31 -6.062 1.318 -3.121 1.00 0.00 N ATOM 441 CA TYR A 31 -5.682 -0.084 -2.960 1.00 0.00 C ATOM 442 C TYR A 31 -6.264 -0.648 -1.674 1.00 0.00 C ATOM 443 O TYR A 31 -6.392 0.046 -0.667 1.00 0.00 O ATOM 444 CB TYR A 31 -4.145 -0.237 -2.991 1.00 0.00 C ATOM 445 CG TYR A 31 -3.529 0.018 -4.350 1.00 0.00 C ATOM 446 CD1 TYR A 31 -3.683 -0.912 -5.378 1.00 0.00 C ATOM 447 CD2 TYR A 31 -2.931 1.243 -4.657 1.00 0.00 C ATOM 448 CE1 TYR A 31 -3.239 -0.647 -6.669 1.00 0.00 C ATOM 449 CE2 TYR A 31 -2.448 1.511 -5.937 1.00 0.00 C ATOM 450 CZ TYR A 31 -2.600 0.555 -6.940 1.00 0.00 C ATOM 451 OH TYR A 31 -2.178 0.783 -8.220 1.00 0.00 O ATOM 0 H TYR A 31 -6.225 1.823 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.092 -0.654 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.707 0.453 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.884 -1.245 -2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.158 -1.859 -5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.841 1.996 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.390 -1.372 -7.455 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.960 2.451 -6.150 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.748 1.662 -8.271 1.00 0.00 H new ATOM 461 N GLY A 32 -6.573 -1.945 -1.704 1.00 0.00 N ATOM 462 CA GLY A 32 -7.313 -2.567 -0.609 1.00 0.00 C ATOM 463 C GLY A 32 -6.544 -2.456 0.699 1.00 0.00 C ATOM 464 O GLY A 32 -7.092 -2.083 1.735 1.00 0.00 O ATOM 0 H GLY A 32 -6.325 -2.577 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.287 -2.088 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.497 -3.616 -0.839 1.00 0.00 H new ATOM 468 N ASN A 33 -5.270 -2.841 0.647 1.00 0.00 N ATOM 469 CA ASN A 33 -4.377 -2.621 1.785 1.00 0.00 C ATOM 470 C ASN A 33 -2.926 -2.703 1.330 1.00 0.00 C ATOM 471 O ASN A 33 -2.602 -2.380 0.187 1.00 0.00 O ATOM 472 CB ASN A 33 -4.739 -3.512 2.963 1.00 0.00 C ATOM 473 CG ASN A 33 -4.239 -4.941 2.831 1.00 0.00 C ATOM 474 OD1 ASN A 33 -3.364 -5.375 3.595 1.00 0.00 O ATOM 475 ND2 ASN A 33 -4.887 -5.713 1.959 1.00 0.00 N ATOM 0 H ASN A 33 -4.838 -3.299 -0.155 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.511 -1.610 2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.329 -3.077 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.823 -3.526 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.670 -6.708 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.599 -5.309 1.351 1.00 0.00 H new ATOM 482 N LYS A 34 -2.044 -3.038 2.271 1.00 0.00 N ATOM 483 CA LYS A 34 -0.613 -2.980 2.016 1.00 0.00 C ATOM 484 C LYS A 34 -0.200 -4.058 1.017 1.00 0.00 C ATOM 485 O LYS A 34 0.740 -3.864 0.243 1.00 0.00 O ATOM 486 CB LYS A 34 0.217 -3.135 3.288 1.00 0.00 C ATOM 487 CG LYS A 34 -0.403 -4.060 4.334 1.00 0.00 C ATOM 488 CD LYS A 34 0.521 -5.166 4.797 1.00 0.00 C ATOM 489 CE LYS A 34 1.149 -5.951 3.718 1.00 0.00 C ATOM 490 NZ LYS A 34 0.906 -7.391 3.869 1.00 0.00 N ATOM 0 H LYS A 34 -2.297 -3.350 3.209 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.415 -1.991 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.202 -3.517 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.366 -2.151 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.705 -3.466 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.308 -4.505 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.308 -4.727 5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.042 -5.844 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.762 -5.618 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.223 -5.764 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.365 -7.904 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.298 -7.716 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.118 -7.574 3.849 1.00 0.00 H new ATOM 504 N CYS A 35 -1.124 -4.998 0.798 1.00 0.00 N ATOM 505 CA CYS A 35 -0.896 -6.057 -0.176 1.00 0.00 C ATOM 506 C CYS A 35 -1.152 -5.544 -1.591 1.00 0.00 C ATOM 507 O CYS A 35 -0.339 -5.764 -2.492 1.00 0.00 O ATOM 508 CB CYS A 35 -1.741 -7.291 0.134 1.00 0.00 C ATOM 509 SG CYS A 35 -1.220 -8.785 -0.746 1.00 0.00 S ATOM 0 H CYS A 35 -2.023 -5.044 1.277 1.00 0.00 H new ATOM 0 HA CYS A 35 0.149 -6.361 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.705 -7.483 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.780 -7.079 -0.117 1.00 0.00 H new ATOM 514 N ASN A 36 -2.416 -5.203 -1.842 1.00 0.00 N ATOM 515 CA ASN A 36 -2.836 -4.773 -3.167 1.00 0.00 C ATOM 516 C ASN A 36 -2.246 -3.404 -3.498 1.00 0.00 C ATOM 517 O ASN A 36 -1.871 -3.147 -4.646 1.00 0.00 O ATOM 518 CB ASN A 36 -4.352 -4.855 -3.333 1.00 0.00 C ATOM 519 CG ASN A 36 -4.872 -6.280 -3.390 1.00 0.00 C ATOM 520 OD1 ASN A 36 -5.121 -6.820 -4.479 1.00 0.00 O ATOM 521 ND2 ASN A 36 -4.956 -6.924 -2.227 1.00 0.00 N ATOM 0 H ASN A 36 -3.161 -5.217 -1.145 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.434 -5.465 -3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.830 -4.334 -2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.640 -4.334 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.235 -7.905 -2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.741 -6.436 -1.357 1.00 0.00 H new ATOM 528 N PHE A 37 -1.875 -2.685 -2.448 1.00 0.00 N ATOM 529 CA PHE A 37 -0.999 -1.512 -2.585 1.00 0.00 C ATOM 530 C PHE A 37 0.346 -1.940 -3.144 1.00 0.00 C ATOM 531 O PHE A 37 0.788 -1.448 -4.186 1.00 0.00 O ATOM 532 CB PHE A 37 -0.865 -0.717 -1.278 1.00 0.00 C ATOM 533 CG PHE A 37 0.189 0.347 -1.251 1.00 0.00 C ATOM 534 CD1 PHE A 37 0.059 1.406 -2.153 1.00 0.00 C ATOM 535 CD2 PHE A 37 1.255 0.346 -0.347 1.00 0.00 C ATOM 536 CE1 PHE A 37 1.007 2.416 -2.209 1.00 0.00 C ATOM 537 CE2 PHE A 37 2.194 1.384 -0.353 1.00 0.00 C ATOM 538 CZ PHE A 37 2.080 2.401 -1.316 1.00 0.00 C ATOM 0 H PHE A 37 -2.162 -2.886 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.462 -0.823 -3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.826 -0.251 -1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.662 -1.420 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.793 1.438 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.355 -0.462 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.916 3.208 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.994 1.403 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.829 3.178 -1.366 1.00 0.00 H new ATOM 548 N CYS A 38 1.033 -2.822 -2.419 1.00 0.00 N ATOM 549 CA CYS A 38 2.456 -3.048 -2.663 1.00 0.00 C ATOM 550 C CYS A 38 2.654 -3.878 -3.926 1.00 0.00 C ATOM 551 O CYS A 38 3.574 -3.614 -4.707 1.00 0.00 O ATOM 552 CB CYS A 38 3.138 -3.679 -1.457 1.00 0.00 C ATOM 553 SG CYS A 38 3.552 -2.498 -0.140 1.00 0.00 S ATOM 0 H CYS A 38 0.634 -3.385 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 38 2.932 -2.080 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.487 -4.451 -1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.051 -4.174 -1.787 1.00 0.00 H new ATOM 558 N ASN A 39 1.623 -4.645 -4.269 1.00 0.00 N ATOM 559 CA ASN A 39 1.593 -5.361 -5.538 1.00 0.00 C ATOM 560 C ASN A 39 1.636 -4.379 -6.703 1.00 0.00 C ATOM 561 O ASN A 39 2.329 -4.594 -7.695 1.00 0.00 O ATOM 562 CB ASN A 39 0.433 -6.352 -5.597 1.00 0.00 C ATOM 563 CG ASN A 39 0.634 -7.564 -4.705 1.00 0.00 C ATOM 564 OD1 ASN A 39 1.702 -8.196 -4.737 1.00 0.00 O ATOM 565 ND2 ASN A 39 -0.441 -7.995 -4.046 1.00 0.00 N ATOM 0 H ASN A 39 0.798 -4.786 -3.685 1.00 0.00 H new ATOM 0 HA ASN A 39 2.490 -5.975 -5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.486 -5.843 -5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.300 -6.685 -6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.408 -8.879 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.297 -7.440 -4.049 1.00 0.00 H new ATOM 572 N ALA A 40 0.993 -3.230 -6.502 1.00 0.00 N ATOM 573 CA ALA A 40 0.853 -2.252 -7.574 1.00 0.00 C ATOM 574 C ALA A 40 2.040 -1.296 -7.589 1.00 0.00 C ATOM 575 O ALA A 40 2.436 -0.795 -8.644 1.00 0.00 O ATOM 576 CB ALA A 40 -0.464 -1.497 -7.428 1.00 0.00 C ATOM 0 H ALA A 40 0.566 -2.957 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 40 0.840 -2.777 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.558 -0.769 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.294 -2.201 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.483 -0.980 -6.469 1.00 0.00 H new ATOM 582 N VAL A 41 2.745 -1.244 -6.464 1.00 0.00 N ATOM 583 CA VAL A 41 4.045 -0.587 -6.400 1.00 0.00 C ATOM 584 C VAL A 41 5.082 -1.387 -7.178 1.00 0.00 C ATOM 585 O VAL A 41 5.766 -0.862 -8.057 1.00 0.00 O ATOM 586 CB VAL A 41 4.436 -0.327 -4.930 1.00 0.00 C ATOM 587 CG1 VAL A 41 5.837 0.252 -4.787 1.00 0.00 C ATOM 588 CG2 VAL A 41 3.413 0.551 -4.226 1.00 0.00 C ATOM 0 H VAL A 41 2.436 -1.651 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 41 3.994 0.390 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 41 4.443 -1.301 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.058 0.414 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.563 -0.444 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.895 1.201 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.722 0.713 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.343 1.511 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.440 0.060 -4.241 1.00 0.00 H new ATOM 598 N VAL A 42 5.294 -2.622 -6.734 1.00 0.00 N ATOM 599 CA VAL A 42 6.296 -3.487 -7.340 1.00 0.00 C ATOM 600 C VAL A 42 5.974 -3.745 -8.804 1.00 0.00 C ATOM 601 O VAL A 42 6.849 -4.066 -9.606 1.00 0.00 O ATOM 602 CB VAL A 42 6.451 -4.780 -6.507 1.00 0.00 C ATOM 603 CG1 VAL A 42 5.141 -5.548 -6.377 1.00 0.00 C ATOM 604 CG2 VAL A 42 7.551 -5.672 -7.056 1.00 0.00 C ATOM 0 H VAL A 42 4.785 -3.044 -5.957 1.00 0.00 H new ATOM 0 HA VAL A 42 7.265 -2.988 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 42 6.741 -4.467 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.304 -6.447 -5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.398 -4.919 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.783 -5.827 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.630 -6.571 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.314 -5.951 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.499 -5.135 -7.036 1.00 0.00 H new ATOM 614 N GLU A 43 4.689 -3.645 -9.133 1.00 0.00 N ATOM 615 CA GLU A 43 4.239 -3.823 -10.505 1.00 0.00 C ATOM 616 C GLU A 43 4.553 -2.580 -11.334 1.00 0.00 C ATOM 617 O GLU A 43 4.608 -2.641 -12.563 1.00 0.00 O ATOM 618 CB GLU A 43 2.730 -4.096 -10.465 1.00 0.00 C ATOM 619 CG GLU A 43 1.844 -3.892 -11.554 1.00 0.00 C ATOM 620 CD GLU A 43 0.501 -4.555 -11.477 1.00 0.00 C ATOM 621 OE1 GLU A 43 0.330 -5.762 -11.515 1.00 0.00 O ATOM 622 OE2 GLU A 43 -0.417 -3.735 -11.256 1.00 0.00 O ATOM 0 H GLU A 43 3.944 -3.442 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 43 4.756 -4.660 -10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.621 -5.142 -10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.338 -3.499 -9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.686 -2.819 -11.664 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.339 -4.236 -12.462 1.00 0.00 H new ATOM 629 N SER A 44 4.483 -1.426 -10.674 1.00 0.00 N ATOM 630 CA SER A 44 4.522 -0.147 -11.365 1.00 0.00 C ATOM 631 C SER A 44 5.933 0.409 -11.427 1.00 0.00 C ATOM 632 O SER A 44 6.145 1.587 -11.725 1.00 0.00 O ATOM 633 CB SER A 44 3.560 0.858 -10.736 1.00 0.00 C ATOM 634 OG SER A 44 4.065 1.361 -9.514 1.00 0.00 O ATOM 0 H SER A 44 4.399 -1.354 -9.660 1.00 0.00 H new ATOM 0 HA SER A 44 4.192 -0.323 -12.389 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.389 1.683 -11.428 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.595 0.382 -10.564 1.00 0.00 H new ATOM 0 HG SER A 44 4.617 0.676 -9.082 1.00 0.00 H new ATOM 640 N ASN A 45 6.910 -0.443 -11.122 1.00 0.00 N ATOM 641 CA ASN A 45 8.311 -0.094 -11.347 1.00 0.00 C ATOM 642 C ASN A 45 8.699 1.126 -10.521 1.00 0.00 C ATOM 643 O ASN A 45 9.436 1.997 -10.979 1.00 0.00 O ATOM 644 CB ASN A 45 8.625 0.028 -12.835 1.00 0.00 C ATOM 645 CG ASN A 45 10.112 0.025 -13.137 1.00 0.00 C ATOM 646 OD1 ASN A 45 10.756 -1.035 -13.136 1.00 0.00 O ATOM 647 ND2 ASN A 45 10.673 1.214 -13.352 1.00 0.00 N ATOM 0 H ASN A 45 6.760 -1.370 -10.723 1.00 0.00 H new ATOM 0 HA ASN A 45 8.943 -0.908 -10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.151 -0.797 -13.368 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.185 0.949 -13.218 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.676 1.281 -13.526 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.100 2.058 -13.343 1.00 0.00 H new ATOM 654 N GLY A 46 8.283 1.117 -9.256 1.00 0.00 N ATOM 655 CA GLY A 46 8.754 2.110 -8.298 1.00 0.00 C ATOM 656 C GLY A 46 8.344 3.509 -8.735 1.00 0.00 C ATOM 657 O GLY A 46 9.061 4.482 -8.506 1.00 0.00 O ATOM 0 H GLY A 46 7.625 0.437 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.343 1.896 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.839 2.053 -8.210 1.00 0.00 H new ATOM 661 N THR A 47 7.075 3.629 -9.134 1.00 0.00 N ATOM 662 CA THR A 47 6.556 4.906 -9.604 1.00 0.00 C ATOM 663 C THR A 47 5.288 5.286 -8.857 1.00 0.00 C ATOM 664 O THR A 47 4.921 6.459 -8.777 1.00 0.00 O ATOM 665 CB THR A 47 6.324 4.906 -11.171 1.00 0.00 C ATOM 666 OG1 THR A 47 6.392 6.283 -11.620 1.00 0.00 O ATOM 667 CG2 THR A 47 5.066 4.169 -11.629 1.00 0.00 C ATOM 0 H THR A 47 6.399 2.865 -9.140 1.00 0.00 H new ATOM 0 HA THR A 47 7.311 5.664 -9.392 1.00 0.00 H new ATOM 0 HB THR A 47 7.112 4.321 -11.646 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.253 6.318 -12.590 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.989 4.221 -12.715 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.122 3.126 -11.319 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.188 4.634 -11.180 1.00 0.00 H new ATOM 675 N LEU A 48 4.523 4.265 -8.479 1.00 0.00 N ATOM 676 CA LEU A 48 3.261 4.477 -7.781 1.00 0.00 C ATOM 677 C LEU A 48 3.507 5.177 -6.447 1.00 0.00 C ATOM 678 O LEU A 48 2.982 6.268 -6.205 1.00 0.00 O ATOM 679 CB LEU A 48 2.569 3.112 -7.655 1.00 0.00 C ATOM 680 CG LEU A 48 1.485 2.971 -6.602 1.00 0.00 C ATOM 681 CD1 LEU A 48 0.318 3.905 -6.888 1.00 0.00 C ATOM 682 CD2 LEU A 48 1.005 1.523 -6.589 1.00 0.00 C ATOM 0 H LEU A 48 4.755 3.286 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 48 2.596 5.142 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.132 2.866 -8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.335 2.364 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 48 1.894 3.241 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.443 3.782 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.670 4.937 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.109 3.666 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.225 1.405 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.606 1.263 -7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.841 0.865 -6.351 1.00 0.00 H new ATOM 694 N THR A 49 3.999 4.404 -5.483 1.00 0.00 N ATOM 695 CA THR A 49 4.315 4.910 -4.168 1.00 0.00 C ATOM 696 C THR A 49 3.120 5.581 -3.502 1.00 0.00 C ATOM 697 O THR A 49 1.981 5.423 -3.961 1.00 0.00 O ATOM 698 CB THR A 49 5.595 5.835 -4.145 1.00 0.00 C ATOM 699 OG1 THR A 49 5.190 7.179 -4.490 1.00 0.00 O ATOM 700 CG2 THR A 49 6.763 5.306 -4.983 1.00 0.00 C ATOM 0 H THR A 49 4.187 3.408 -5.601 1.00 0.00 H new ATOM 0 HA THR A 49 4.565 4.032 -3.572 1.00 0.00 H new ATOM 0 HB THR A 49 6.008 5.837 -3.136 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.495 7.144 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.603 5.998 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.067 4.329 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.452 5.215 -6.024 1.00 0.00 H new ATOM 708 N LEU A 50 3.336 6.061 -2.278 1.00 0.00 N ATOM 709 CA LEU A 50 2.222 6.292 -1.344 1.00 0.00 C ATOM 710 C LEU A 50 1.977 7.784 -1.188 1.00 0.00 C ATOM 711 O LEU A 50 2.871 8.549 -0.834 1.00 0.00 O ATOM 712 CB LEU A 50 2.579 5.567 -0.039 1.00 0.00 C ATOM 713 CG LEU A 50 1.553 5.549 1.071 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.221 4.989 0.590 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.091 4.694 2.218 1.00 0.00 C ATOM 0 H LEU A 50 4.257 6.296 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 50 1.276 5.890 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.819 4.533 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.489 6.020 0.356 1.00 0.00 H new ATOM 0 HG LEU A 50 1.379 6.572 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.493 4.991 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.161 5.607 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.362 3.968 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.362 4.671 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.271 3.679 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.025 5.121 2.583 1.00 0.00 H new ATOM 727 N SER A 51 0.783 8.212 -1.605 1.00 0.00 N ATOM 728 CA SER A 51 0.368 9.595 -1.388 1.00 0.00 C ATOM 729 C SER A 51 -0.036 9.798 0.071 1.00 0.00 C ATOM 730 O SER A 51 0.610 10.551 0.802 1.00 0.00 O ATOM 731 CB SER A 51 -0.757 9.994 -2.332 1.00 0.00 C ATOM 732 OG SER A 51 -0.343 10.997 -3.243 1.00 0.00 O ATOM 0 H SER A 51 0.098 7.630 -2.087 1.00 0.00 H new ATOM 0 HA SER A 51 1.215 10.245 -1.607 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.097 9.118 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.607 10.356 -1.753 1.00 0.00 H new ATOM 0 HG SER A 51 -1.088 11.229 -3.835 1.00 0.00 H new ATOM 738 N HIS A 52 -0.915 8.918 0.541 1.00 0.00 N ATOM 739 CA HIS A 52 -1.185 8.795 1.969 1.00 0.00 C ATOM 740 C HIS A 52 -1.791 7.428 2.274 1.00 0.00 C ATOM 741 O HIS A 52 -2.433 6.818 1.416 1.00 0.00 O ATOM 742 CB HIS A 52 -2.128 9.897 2.516 1.00 0.00 C ATOM 743 CG HIS A 52 -3.387 10.025 1.705 1.00 0.00 C ATOM 744 ND1 HIS A 52 -4.630 9.655 2.155 1.00 0.00 N ATOM 745 CD2 HIS A 52 -3.532 10.294 0.383 1.00 0.00 C ATOM 746 CE1 HIS A 52 -5.491 9.716 1.151 1.00 0.00 C ATOM 747 NE2 HIS A 52 -4.854 10.110 0.072 1.00 0.00 N ATOM 0 H HIS A 52 -1.452 8.280 -0.046 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.223 8.913 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.386 9.670 3.550 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.603 10.852 2.521 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.854 9.377 3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.750 10.597 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.543 9.481 1.210 1.00 0.00 H new ATOM 756 N PHE A 53 -1.785 7.077 3.556 1.00 0.00 N ATOM 757 CA PHE A 53 -2.570 5.945 4.040 1.00 0.00 C ATOM 758 C PHE A 53 -4.054 6.193 3.807 1.00 0.00 C ATOM 759 O PHE A 53 -4.455 7.221 3.266 1.00 0.00 O ATOM 760 CB PHE A 53 -2.338 5.633 5.541 1.00 0.00 C ATOM 761 CG PHE A 53 -0.926 5.207 5.825 1.00 0.00 C ATOM 762 CD1 PHE A 53 0.175 6.047 5.653 1.00 0.00 C ATOM 763 CD2 PHE A 53 -0.741 3.938 6.381 1.00 0.00 C ATOM 764 CE1 PHE A 53 1.451 5.639 6.057 1.00 0.00 C ATOM 765 CE2 PHE A 53 0.525 3.485 6.716 1.00 0.00 C ATOM 766 CZ PHE A 53 1.620 4.342 6.575 1.00 0.00 C ATOM 0 H PHE A 53 -1.247 7.558 4.277 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.232 5.079 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.574 6.517 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.023 4.845 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.041 7.020 5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.597 3.302 6.552 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.293 6.310 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.664 2.479 7.083 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.604 4.006 6.866 1.00 0.00 H new ATOM 776 N GLY A 54 -4.869 5.244 4.260 1.00 0.00 N ATOM 777 CA GLY A 54 -6.312 5.340 4.096 1.00 0.00 C ATOM 778 C GLY A 54 -6.687 5.316 2.620 1.00 0.00 C ATOM 779 O GLY A 54 -5.839 5.149 1.746 1.00 0.00 O ATOM 0 H GLY A 54 -4.553 4.402 4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.798 4.513 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.675 6.260 4.554 1.00 0.00 H new ATOM 783 N LYS A 55 -7.981 5.485 2.357 1.00 0.00 N ATOM 784 CA LYS A 55 -8.458 5.639 0.987 1.00 0.00 C ATOM 785 C LYS A 55 -8.452 7.110 0.587 1.00 0.00 C ATOM 786 O LYS A 55 -8.237 7.993 1.416 1.00 0.00 O ATOM 787 CB LYS A 55 -9.869 5.079 0.810 1.00 0.00 C ATOM 788 CG LYS A 55 -10.881 5.606 1.828 1.00 0.00 C ATOM 789 CD LYS A 55 -12.260 4.997 1.669 1.00 0.00 C ATOM 790 CE LYS A 55 -13.355 5.975 1.525 1.00 0.00 C ATOM 791 NZ LYS A 55 -14.120 6.134 2.768 1.00 0.00 N ATOM 0 H LYS A 55 -8.711 5.518 3.068 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.781 5.075 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.220 5.319 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.829 3.992 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.515 5.402 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.956 6.689 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.256 4.346 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.466 4.367 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.943 6.939 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.024 5.655 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.879 6.830 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.536 5.220 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.488 6.465 3.525 1.00 0.00 H new ATOM 805 N CYS A 56 -8.495 7.346 -0.722 1.00 0.00 N ATOM 806 CA CYS A 56 -8.161 8.653 -1.275 1.00 0.00 C ATOM 807 C CYS A 56 -9.116 9.717 -0.740 1.00 0.00 C ATOM 808 O CYS A 56 -8.691 10.581 0.041 1.00 0.00 O ATOM 809 CB CYS A 56 -8.158 8.623 -2.802 1.00 0.00 C ATOM 810 SG CYS A 56 -7.058 7.386 -3.527 1.00 0.00 S ATOM 811 OXT CYS A 56 -10.336 9.587 -0.919 1.00 0.00 O ATOM 0 H CYS A 56 -8.758 6.648 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.152 8.912 -0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.174 8.436 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.870 9.607 -3.171 1.00 0.00 H new TER 816 CYS A 56