USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 394 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 Single : A 1 ARG N :NH3+ 173:sc= -0.0751 (180deg=-0.18) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 86:sc=-0.000537 USER MOD Single : A 20 SER OG : rot 61:sc= 0.342 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 44:sc= 1.25 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 25 GLN :FLIP amide:sc= 0.471 F(o=-2.7!,f=0.47) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -39:sc= 0.119 USER MOD Single : A 28 ASN : amide:sc= -0.762 X(o=-0.76,f=-0.54) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 31 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.013) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0469 USER MOD Single : A 36 SER OG : rot -67:sc= 1.29 USER MOD Single : A 41 ASN :FLIP amide:sc= 0.699 F(o=0,f=0.7) USER MOD Single : A 43 ASN : amide:sc= -2.03! C(o=-2!,f=-2.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.62 K(o=-0.62,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.196 -5.820 2.852 1.00 0.00 N ATOM 2 CA ARG A 1 10.831 -5.328 2.667 1.00 0.00 C ATOM 3 C ARG A 1 9.898 -6.315 3.363 1.00 0.00 C ATOM 4 O ARG A 1 9.917 -7.500 3.023 1.00 0.00 O ATOM 5 CB ARG A 1 10.516 -5.071 1.187 1.00 0.00 C ATOM 6 CG ARG A 1 10.963 -6.122 0.148 1.00 0.00 C ATOM 7 CD ARG A 1 12.058 -5.612 -0.813 1.00 0.00 C ATOM 8 NE ARG A 1 13.334 -5.234 -0.175 1.00 0.00 N ATOM 9 CZ ARG A 1 14.449 -5.980 -0.066 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.461 -7.277 -0.375 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.570 -5.402 0.352 1.00 0.00 N ATOM 0 H1 ARG A 1 12.853 -5.240 2.292 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.453 -5.761 3.858 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.254 -6.810 2.537 1.00 0.00 H new ATOM 0 HA ARG A 1 10.691 -4.349 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.437 -4.950 1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.969 -4.118 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.332 -7.004 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.097 -6.436 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.257 -6.387 -1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.671 -4.747 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 1 13.376 -4.299 0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.609 -7.731 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.322 -7.816 -0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.576 -4.409 0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.425 -5.952 0.441 1.00 0.00 H new ATOM 25 N PRO A 2 9.132 -5.878 4.379 1.00 0.00 N ATOM 26 CA PRO A 2 8.253 -6.768 5.116 1.00 0.00 C ATOM 27 C PRO A 2 7.208 -7.388 4.199 1.00 0.00 C ATOM 28 O PRO A 2 6.660 -6.738 3.306 1.00 0.00 O ATOM 29 CB PRO A 2 7.646 -5.933 6.238 1.00 0.00 C ATOM 30 CG PRO A 2 7.682 -4.525 5.668 1.00 0.00 C ATOM 31 CD PRO A 2 8.998 -4.518 4.880 1.00 0.00 C ATOM 0 HA PRO A 2 8.793 -7.616 5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.629 -6.249 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.224 -6.011 7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.824 -4.325 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.675 -3.769 6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.968 -3.796 4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.840 -4.245 5.516 1.00 0.00 H new ATOM 39 N ARG A 3 6.898 -8.657 4.441 1.00 0.00 N ATOM 40 CA ARG A 3 5.946 -9.411 3.642 1.00 0.00 C ATOM 41 C ARG A 3 4.551 -8.819 3.624 1.00 0.00 C ATOM 42 O ARG A 3 3.804 -9.079 2.689 1.00 0.00 O ATOM 43 CB ARG A 3 5.957 -10.892 4.046 1.00 0.00 C ATOM 44 CG ARG A 3 5.210 -11.291 5.331 1.00 0.00 C ATOM 45 CD ARG A 3 3.696 -11.484 5.216 1.00 0.00 C ATOM 46 NE ARG A 3 3.311 -12.342 4.086 1.00 0.00 N ATOM 47 CZ ARG A 3 2.237 -13.129 4.022 1.00 0.00 C ATOM 48 NH1 ARG A 3 1.506 -13.386 5.097 1.00 0.00 N ATOM 49 NH2 ARG A 3 1.898 -13.635 2.850 1.00 0.00 N ATOM 0 H ARG A 3 7.306 -9.194 5.206 1.00 0.00 H new ATOM 0 HA ARG A 3 6.280 -9.339 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.536 -11.467 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.996 -11.202 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.644 -12.220 5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.399 -10.527 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.319 -11.920 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.218 -10.510 5.105 1.00 0.00 H new ATOM 0 HE ARG A 3 3.925 -12.334 3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.761 -12.979 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.688 -13.991 5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.454 -13.420 2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.081 -14.240 2.773 1.00 0.00 H new ATOM 63 N PHE A 4 4.168 -8.028 4.629 1.00 0.00 N ATOM 64 CA PHE A 4 2.824 -7.466 4.618 1.00 0.00 C ATOM 65 C PHE A 4 2.688 -6.380 3.543 1.00 0.00 C ATOM 66 O PHE A 4 1.578 -6.077 3.106 1.00 0.00 O ATOM 67 CB PHE A 4 2.461 -6.959 6.013 1.00 0.00 C ATOM 68 CG PHE A 4 3.094 -5.651 6.404 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.576 -4.447 5.899 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.187 -5.636 7.283 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.156 -3.230 6.276 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.786 -4.417 7.629 1.00 0.00 C ATOM 73 CZ PHE A 4 4.278 -3.215 7.116 1.00 0.00 C ATOM 0 H PHE A 4 4.746 -7.772 5.429 1.00 0.00 H new ATOM 0 HA PHE A 4 2.111 -8.248 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.378 -6.852 6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.748 -7.716 6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.734 -4.460 5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.566 -6.561 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.738 -2.300 5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.639 -4.404 8.291 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.751 -2.278 7.368 1.00 0.00 H new ATOM 83 N CYS A 5 3.812 -5.800 3.118 1.00 0.00 N ATOM 84 CA CYS A 5 3.882 -4.754 2.125 1.00 0.00 C ATOM 85 C CYS A 5 3.675 -5.271 0.707 1.00 0.00 C ATOM 86 O CYS A 5 3.386 -4.469 -0.165 1.00 0.00 O ATOM 87 CB CYS A 5 5.285 -4.129 2.243 1.00 0.00 C ATOM 88 SG CYS A 5 5.409 -2.335 2.148 1.00 0.00 S ATOM 0 H CYS A 5 4.729 -6.065 3.478 1.00 0.00 H new ATOM 0 HA CYS A 5 3.086 -4.033 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.715 -4.446 3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.908 -4.551 1.455 1.00 0.00 H new ATOM 93 N GLU A 6 3.765 -6.576 0.453 1.00 0.00 N ATOM 94 CA GLU A 6 3.620 -7.105 -0.917 1.00 0.00 C ATOM 95 C GLU A 6 2.275 -7.767 -1.208 1.00 0.00 C ATOM 96 O GLU A 6 2.090 -8.398 -2.253 1.00 0.00 O ATOM 97 CB GLU A 6 4.799 -8.044 -1.205 1.00 0.00 C ATOM 98 CG GLU A 6 4.656 -9.442 -0.559 1.00 0.00 C ATOM 99 CD GLU A 6 5.921 -10.002 0.101 1.00 0.00 C ATOM 100 OE1 GLU A 6 6.930 -9.279 0.278 1.00 0.00 O ATOM 101 OE2 GLU A 6 5.894 -11.179 0.531 1.00 0.00 O ATOM 0 H GLU A 6 3.936 -7.286 1.165 1.00 0.00 H new ATOM 0 HA GLU A 6 3.638 -6.254 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.903 -8.161 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.717 -7.580 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.867 -9.396 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.327 -10.144 -1.325 1.00 0.00 H new ATOM 108 N LEU A 7 1.328 -7.650 -0.285 1.00 0.00 N ATOM 109 CA LEU A 7 0.010 -8.256 -0.407 1.00 0.00 C ATOM 110 C LEU A 7 -0.888 -7.494 -1.394 1.00 0.00 C ATOM 111 O LEU A 7 -0.520 -6.417 -1.869 1.00 0.00 O ATOM 112 CB LEU A 7 -0.621 -8.367 0.988 1.00 0.00 C ATOM 113 CG LEU A 7 0.272 -8.986 2.091 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.484 -9.051 3.419 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.791 -10.391 1.810 1.00 0.00 C ATOM 0 H LEU A 7 1.457 -7.125 0.580 1.00 0.00 H new ATOM 0 HA LEU A 7 0.117 -9.257 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.922 -7.370 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.530 -8.963 0.907 1.00 0.00 H new ATOM 0 HG LEU A 7 1.134 -8.320 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.159 -9.489 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.774 -8.045 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.376 -9.666 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.404 -10.726 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.051 -11.071 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.392 -10.382 0.901 1.00 0.00 H new ATOM 127 N ALA A 8 -2.061 -8.045 -1.713 1.00 0.00 N ATOM 128 CA ALA A 8 -3.037 -7.451 -2.623 1.00 0.00 C ATOM 129 C ALA A 8 -4.145 -6.742 -1.823 1.00 0.00 C ATOM 130 O ALA A 8 -4.955 -7.409 -1.174 1.00 0.00 O ATOM 131 CB ALA A 8 -3.613 -8.535 -3.521 1.00 0.00 C ATOM 0 H ALA A 8 -2.365 -8.942 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.549 -6.704 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.342 -8.095 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.810 -8.995 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.100 -9.294 -2.909 1.00 0.00 H new ATOM 137 N PRO A 9 -4.211 -5.404 -1.801 1.00 0.00 N ATOM 138 CA PRO A 9 -5.208 -4.644 -1.064 1.00 0.00 C ATOM 139 C PRO A 9 -6.552 -4.566 -1.810 1.00 0.00 C ATOM 140 O PRO A 9 -6.907 -3.513 -2.343 1.00 0.00 O ATOM 141 CB PRO A 9 -4.537 -3.284 -0.850 1.00 0.00 C ATOM 142 CG PRO A 9 -3.751 -3.092 -2.148 1.00 0.00 C ATOM 143 CD PRO A 9 -3.327 -4.510 -2.517 1.00 0.00 C ATOM 0 HA PRO A 9 -5.486 -5.107 -0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.269 -2.490 -0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.884 -3.287 0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.366 -2.641 -2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.890 -2.440 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.402 -4.670 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.288 -4.688 -2.240 1.00 0.00 H new ATOM 151 N SER A 10 -7.308 -5.669 -1.802 1.00 0.00 N ATOM 152 CA SER A 10 -8.616 -5.782 -2.443 1.00 0.00 C ATOM 153 C SER A 10 -9.544 -4.732 -1.848 1.00 0.00 C ATOM 154 O SER A 10 -9.948 -4.839 -0.690 1.00 0.00 O ATOM 155 CB SER A 10 -9.228 -7.184 -2.271 1.00 0.00 C ATOM 156 OG SER A 10 -10.413 -7.353 -3.029 1.00 0.00 O ATOM 0 H SER A 10 -7.017 -6.529 -1.336 1.00 0.00 H new ATOM 0 HA SER A 10 -8.489 -5.619 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.498 -7.935 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.447 -7.355 -1.217 1.00 0.00 H new ATOM 0 HG SER A 10 -10.764 -8.257 -2.890 1.00 0.00 H new ATOM 162 N ALA A 11 -9.846 -3.688 -2.609 1.00 0.00 N ATOM 163 CA ALA A 11 -10.740 -2.644 -2.138 1.00 0.00 C ATOM 164 C ALA A 11 -12.194 -3.122 -2.143 1.00 0.00 C ATOM 165 O ALA A 11 -13.043 -2.535 -1.483 1.00 0.00 O ATOM 166 CB ALA A 11 -10.555 -1.387 -2.982 1.00 0.00 C ATOM 0 H ALA A 11 -9.485 -3.544 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.490 -2.402 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.227 -0.607 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.524 -1.043 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.781 -1.612 -4.024 1.00 0.00 H new ATOM 172 N GLY A 12 -12.492 -4.224 -2.833 1.00 0.00 N ATOM 173 CA GLY A 12 -13.845 -4.746 -2.924 1.00 0.00 C ATOM 174 C GLY A 12 -14.387 -5.340 -1.629 1.00 0.00 C ATOM 175 O GLY A 12 -15.565 -5.698 -1.584 1.00 0.00 O ATOM 0 H GLY A 12 -11.800 -4.774 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.509 -3.943 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.873 -5.512 -3.699 1.00 0.00 H new ATOM 179 N SER A 13 -13.582 -5.442 -0.566 1.00 0.00 N ATOM 180 CA SER A 13 -14.023 -6.010 0.697 1.00 0.00 C ATOM 181 C SER A 13 -15.257 -5.326 1.289 1.00 0.00 C ATOM 182 O SER A 13 -16.036 -6.012 1.952 1.00 0.00 O ATOM 183 CB SER A 13 -12.870 -6.019 1.694 1.00 0.00 C ATOM 184 OG SER A 13 -11.818 -6.834 1.221 1.00 0.00 O ATOM 0 H SER A 13 -12.610 -5.132 -0.564 1.00 0.00 H new ATOM 0 HA SER A 13 -14.334 -7.033 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.509 -5.003 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.218 -6.387 2.659 1.00 0.00 H new ATOM 0 HG SER A 13 -11.236 -6.308 0.633 1.00 0.00 H new ATOM 190 N CYS A 14 -15.429 -4.019 1.084 1.00 0.00 N ATOM 191 CA CYS A 14 -16.534 -3.178 1.541 1.00 0.00 C ATOM 192 C CYS A 14 -16.569 -2.007 0.565 1.00 0.00 C ATOM 193 O CYS A 14 -15.502 -1.574 0.137 1.00 0.00 O ATOM 194 CB CYS A 14 -16.275 -2.690 2.967 1.00 0.00 C ATOM 195 SG CYS A 14 -16.351 -3.972 4.250 1.00 0.00 S ATOM 0 H CYS A 14 -14.745 -3.480 0.553 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.482 -3.716 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.291 -2.223 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.004 -1.915 3.207 1.00 0.00 H new ATOM 200 N PHE A 15 -17.736 -1.446 0.249 1.00 0.00 N ATOM 201 CA PHE A 15 -17.781 -0.355 -0.714 1.00 0.00 C ATOM 202 C PHE A 15 -17.600 0.999 -0.041 1.00 0.00 C ATOM 203 O PHE A 15 -18.485 1.474 0.674 1.00 0.00 O ATOM 204 CB PHE A 15 -19.126 -0.409 -1.450 1.00 0.00 C ATOM 205 CG PHE A 15 -19.324 0.636 -2.542 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.565 1.992 -2.238 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.279 0.244 -3.890 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.712 2.936 -3.264 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.497 1.176 -4.919 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.703 2.528 -4.608 1.00 0.00 C ATOM 0 H PHE A 15 -18.639 -1.722 0.636 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.959 -0.473 -1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.237 -1.398 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -19.925 -0.298 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.637 2.305 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.074 -0.787 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.833 3.981 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.506 0.851 -5.949 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.854 3.250 -5.397 1.00 0.00 H new ATOM 220 N ALA A 16 -16.421 1.586 -0.230 1.00 0.00 N ATOM 221 CA ALA A 16 -16.039 2.902 0.254 1.00 0.00 C ATOM 222 C ALA A 16 -15.009 3.488 -0.716 1.00 0.00 C ATOM 223 O ALA A 16 -14.399 2.734 -1.479 1.00 0.00 O ATOM 224 CB ALA A 16 -15.501 2.818 1.680 1.00 0.00 C ATOM 0 H ALA A 16 -15.672 1.131 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.907 3.560 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.221 3.814 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.271 2.412 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.626 2.168 1.701 1.00 0.00 H new ATOM 230 N PHE A 17 -14.725 4.786 -0.637 1.00 0.00 N ATOM 231 CA PHE A 17 -13.733 5.434 -1.494 1.00 0.00 C ATOM 232 C PHE A 17 -12.791 6.298 -0.657 1.00 0.00 C ATOM 233 O PHE A 17 -13.170 7.378 -0.195 1.00 0.00 O ATOM 234 CB PHE A 17 -14.420 6.240 -2.596 1.00 0.00 C ATOM 235 CG PHE A 17 -13.534 6.798 -3.705 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.167 6.457 -3.827 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.100 7.683 -4.644 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.378 7.042 -4.830 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.311 8.243 -5.665 1.00 0.00 C ATOM 240 CZ PHE A 17 -11.945 7.934 -5.749 1.00 0.00 C ATOM 0 H PHE A 17 -15.176 5.419 0.023 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.130 4.668 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.178 5.606 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.943 7.075 -2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.728 5.743 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.149 7.934 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.327 6.803 -4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.758 8.912 -6.386 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.334 8.382 -6.519 1.00 0.00 H new ATOM 250 N VAL A 18 -11.586 5.792 -0.407 1.00 0.00 N ATOM 251 CA VAL A 18 -10.527 6.444 0.345 1.00 0.00 C ATOM 252 C VAL A 18 -9.201 6.199 -0.402 1.00 0.00 C ATOM 253 O VAL A 18 -8.635 5.105 -0.303 1.00 0.00 O ATOM 254 CB VAL A 18 -10.534 5.981 1.818 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.685 6.677 2.564 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.697 4.463 2.010 1.00 0.00 C ATOM 0 H VAL A 18 -11.312 4.869 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.678 7.522 0.402 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.555 6.251 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.693 6.352 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.545 7.757 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.633 6.415 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.691 4.228 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.642 4.140 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.874 3.944 1.519 1.00 0.00 H new ATOM 266 N PRO A 19 -8.689 7.154 -1.201 1.00 0.00 N ATOM 267 CA PRO A 19 -7.442 6.964 -1.927 1.00 0.00 C ATOM 268 C PRO A 19 -6.317 6.749 -0.920 1.00 0.00 C ATOM 269 O PRO A 19 -6.046 7.624 -0.096 1.00 0.00 O ATOM 270 CB PRO A 19 -7.247 8.208 -2.796 1.00 0.00 C ATOM 271 CG PRO A 19 -8.044 9.279 -2.061 1.00 0.00 C ATOM 272 CD PRO A 19 -9.202 8.494 -1.444 1.00 0.00 C ATOM 0 HA PRO A 19 -7.451 6.086 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.194 8.478 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.620 8.054 -3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.443 9.775 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.400 10.053 -2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.538 8.958 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.059 8.468 -2.117 1.00 0.00 H new ATOM 280 N SER A 20 -5.710 5.566 -0.951 1.00 0.00 N ATOM 281 CA SER A 20 -4.614 5.154 -0.072 1.00 0.00 C ATOM 282 C SER A 20 -3.329 4.875 -0.897 1.00 0.00 C ATOM 283 O SER A 20 -3.309 5.179 -2.091 1.00 0.00 O ATOM 284 CB SER A 20 -5.117 4.056 0.875 1.00 0.00 C ATOM 285 OG SER A 20 -6.363 4.435 1.455 1.00 0.00 O ATOM 0 H SER A 20 -5.977 4.838 -1.614 1.00 0.00 H new ATOM 0 HA SER A 20 -4.291 5.952 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.232 3.120 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.382 3.878 1.660 1.00 0.00 H new ATOM 0 HG SER A 20 -7.028 4.564 0.747 1.00 0.00 H new ATOM 291 N TYR A 21 -2.222 4.390 -0.320 1.00 0.00 N ATOM 292 CA TYR A 21 -0.958 4.129 -1.042 1.00 0.00 C ATOM 293 C TYR A 21 -0.633 2.634 -1.138 1.00 0.00 C ATOM 294 O TYR A 21 -0.876 1.897 -0.182 1.00 0.00 O ATOM 295 CB TYR A 21 0.192 4.883 -0.364 1.00 0.00 C ATOM 296 CG TYR A 21 0.506 6.260 -0.901 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.368 6.437 -2.007 1.00 0.00 C ATOM 298 CD2 TYR A 21 -0.013 7.376 -0.229 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.638 7.736 -2.474 1.00 0.00 C ATOM 300 CE2 TYR A 21 0.307 8.673 -0.651 1.00 0.00 C ATOM 301 CZ TYR A 21 1.136 8.861 -1.782 1.00 0.00 C ATOM 302 OH TYR A 21 1.492 10.109 -2.187 1.00 0.00 O ATOM 0 H TYR A 21 -2.173 4.163 0.673 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.084 4.490 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.040 4.976 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.092 4.273 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.816 5.581 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.665 7.235 0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.232 7.874 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.078 9.527 -0.114 1.00 0.00 H new ATOM 0 HH TYR A 21 1.063 10.775 -1.610 1.00 0.00 H new ATOM 312 N TYR A 22 -0.126 2.223 -2.310 1.00 0.00 N ATOM 313 CA TYR A 22 0.281 0.881 -2.736 1.00 0.00 C ATOM 314 C TYR A 22 1.815 0.837 -2.829 1.00 0.00 C ATOM 315 O TYR A 22 2.425 1.860 -3.142 1.00 0.00 O ATOM 316 CB TYR A 22 -0.306 0.617 -4.147 1.00 0.00 C ATOM 317 CG TYR A 22 -0.427 -0.840 -4.540 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.713 -1.584 -4.889 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.693 -1.446 -4.605 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.617 -2.951 -5.183 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.807 -2.799 -4.967 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.651 -3.573 -5.213 1.00 0.00 C ATOM 323 OH TYR A 22 -0.767 -4.911 -5.418 1.00 0.00 O ATOM 0 H TYR A 22 0.024 2.897 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.075 0.133 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.294 1.073 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.320 1.123 -4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.676 -1.096 -4.931 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.579 -0.872 -4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.508 -3.526 -5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.784 -3.250 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.714 -5.163 -5.406 1.00 0.00 H new ATOM 333 N TYR A 23 2.448 -0.318 -2.622 1.00 0.00 N ATOM 334 CA TYR A 23 3.904 -0.518 -2.687 1.00 0.00 C ATOM 335 C TYR A 23 4.256 -1.463 -3.843 1.00 0.00 C ATOM 336 O TYR A 23 3.657 -2.536 -3.976 1.00 0.00 O ATOM 337 CB TYR A 23 4.411 -1.050 -1.344 1.00 0.00 C ATOM 338 CG TYR A 23 5.837 -1.572 -1.333 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.938 -0.697 -1.367 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.063 -2.954 -1.234 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.248 -1.202 -1.308 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.362 -3.461 -1.107 1.00 0.00 C ATOM 343 CZ TYR A 23 8.465 -2.590 -1.196 1.00 0.00 C ATOM 344 OH TYR A 23 9.719 -3.106 -1.193 1.00 0.00 O ATOM 0 H TYR A 23 1.945 -1.176 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 23 4.398 0.434 -2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.331 -0.252 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.748 -1.852 -1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.776 0.368 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.225 -3.634 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.089 -0.526 -1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.518 -4.517 -0.941 1.00 0.00 H new ATOM 0 HH TYR A 23 10.294 -2.565 -0.613 1.00 0.00 H new ATOM 354 N ASN A 24 5.206 -1.057 -4.692 1.00 0.00 N ATOM 355 CA ASN A 24 5.677 -1.803 -5.855 1.00 0.00 C ATOM 356 C ASN A 24 7.169 -2.069 -5.667 1.00 0.00 C ATOM 357 O ASN A 24 8.016 -1.280 -6.095 1.00 0.00 O ATOM 358 CB ASN A 24 5.433 -1.045 -7.177 1.00 0.00 C ATOM 359 CG ASN A 24 3.969 -0.901 -7.599 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.059 -1.509 -7.049 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.695 -0.081 -8.597 1.00 0.00 N ATOM 0 H ASN A 24 5.685 -0.163 -4.580 1.00 0.00 H new ATOM 0 HA ASN A 24 5.118 -2.736 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.866 -0.049 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.973 -1.558 -7.973 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.731 0.043 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.448 0.429 -9.060 1.00 0.00 H new ATOM 368 N GLN A 25 7.499 -3.192 -5.028 1.00 0.00 N ATOM 369 CA GLN A 25 8.865 -3.632 -4.758 1.00 0.00 C ATOM 370 C GLN A 25 9.654 -3.794 -6.057 1.00 0.00 C ATOM 371 O GLN A 25 10.857 -3.536 -6.056 1.00 0.00 O ATOM 372 CB GLN A 25 8.895 -4.902 -3.882 1.00 0.00 C ATOM 373 CG GLN A 25 8.513 -6.253 -4.500 1.00 0.00 C ATOM 374 CD GLN A 25 7.125 -6.325 -5.139 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.095 -5.676 -4.610 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 6.972 -6.954 -6.176 1.00 0.00 N flip ATOM 0 H GLN A 25 6.797 -3.841 -4.673 1.00 0.00 H new ATOM 0 HA GLN A 25 9.361 -2.853 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.904 -4.999 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.231 -4.731 -3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.254 -6.507 -5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.575 -7.016 -3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.758 -7.455 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.058 -6.977 -6.628 1.00 0.00 H new ATOM 385 N TYR A 26 8.978 -4.136 -7.163 1.00 0.00 N ATOM 386 CA TYR A 26 9.594 -4.301 -8.475 1.00 0.00 C ATOM 387 C TYR A 26 10.348 -3.032 -8.878 1.00 0.00 C ATOM 388 O TYR A 26 11.442 -3.097 -9.438 1.00 0.00 O ATOM 389 CB TYR A 26 8.516 -4.561 -9.541 1.00 0.00 C ATOM 390 CG TYR A 26 7.542 -5.688 -9.265 1.00 0.00 C ATOM 391 CD1 TYR A 26 7.982 -7.024 -9.269 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.182 -5.399 -9.042 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.063 -8.074 -9.076 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.271 -6.440 -8.805 1.00 0.00 C ATOM 395 CZ TYR A 26 5.704 -7.782 -8.822 1.00 0.00 C ATOM 396 OH TYR A 26 4.807 -8.773 -8.568 1.00 0.00 O ATOM 0 H TYR A 26 7.972 -4.307 -7.165 1.00 0.00 H new ATOM 0 HA TYR A 26 10.281 -5.145 -8.413 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.944 -3.643 -9.677 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.016 -4.768 -10.487 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.028 -7.246 -9.421 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.839 -4.375 -9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.396 -9.100 -9.122 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.234 -6.212 -8.609 1.00 0.00 H new ATOM 0 HH TYR A 26 3.921 -8.382 -8.416 1.00 0.00 H new ATOM 406 N SER A 27 9.747 -1.885 -8.561 1.00 0.00 N ATOM 407 CA SER A 27 10.261 -0.558 -8.865 1.00 0.00 C ATOM 408 C SER A 27 10.842 0.122 -7.622 1.00 0.00 C ATOM 409 O SER A 27 11.209 1.295 -7.682 1.00 0.00 O ATOM 410 CB SER A 27 9.107 0.219 -9.515 1.00 0.00 C ATOM 411 OG SER A 27 9.510 1.432 -10.117 1.00 0.00 O ATOM 0 H SER A 27 8.855 -1.858 -8.067 1.00 0.00 H new ATOM 0 HA SER A 27 11.102 -0.602 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.635 -0.411 -10.268 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.352 0.432 -8.758 1.00 0.00 H new ATOM 0 HG SER A 27 10.182 1.869 -9.554 1.00 0.00 H new ATOM 417 N ASN A 28 10.959 -0.590 -6.491 1.00 0.00 N ATOM 418 CA ASN A 28 11.482 -0.070 -5.232 1.00 0.00 C ATOM 419 C ASN A 28 10.806 1.270 -4.905 1.00 0.00 C ATOM 420 O ASN A 28 11.453 2.252 -4.552 1.00 0.00 O ATOM 421 CB ASN A 28 13.024 -0.018 -5.324 1.00 0.00 C ATOM 422 CG ASN A 28 13.711 0.627 -4.126 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.280 1.709 -4.220 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.690 -0.003 -2.968 1.00 0.00 N ATOM 0 H ASN A 28 10.683 -1.570 -6.432 1.00 0.00 H new ATOM 0 HA ASN A 28 11.246 -0.722 -4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.402 -1.034 -5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.303 0.530 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.146 0.410 -2.154 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.218 -0.903 -2.886 1.00 0.00 H new ATOM 431 N THR A 29 9.487 1.360 -5.075 1.00 0.00 N ATOM 432 CA THR A 29 8.756 2.583 -4.790 1.00 0.00 C ATOM 433 C THR A 29 7.325 2.238 -4.388 1.00 0.00 C ATOM 434 O THR A 29 6.987 1.079 -4.129 1.00 0.00 O ATOM 435 CB THR A 29 8.883 3.573 -5.973 1.00 0.00 C ATOM 436 OG1 THR A 29 8.553 4.873 -5.523 1.00 0.00 O ATOM 437 CG2 THR A 29 8.021 3.219 -7.189 1.00 0.00 C ATOM 0 H THR A 29 8.905 0.593 -5.411 1.00 0.00 H new ATOM 0 HA THR A 29 9.188 3.107 -3.937 1.00 0.00 H new ATOM 0 HB THR A 29 9.917 3.516 -6.313 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.633 5.507 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.171 3.964 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.307 2.237 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.971 3.204 -6.898 1.00 0.00 H new ATOM 445 N CYS A 30 6.506 3.269 -4.256 1.00 0.00 N ATOM 446 CA CYS A 30 5.112 3.215 -3.899 1.00 0.00 C ATOM 447 C CYS A 30 4.359 4.154 -4.818 1.00 0.00 C ATOM 448 O CYS A 30 4.960 5.014 -5.463 1.00 0.00 O ATOM 449 CB CYS A 30 4.935 3.718 -2.477 1.00 0.00 C ATOM 450 SG CYS A 30 5.821 2.853 -1.169 1.00 0.00 S ATOM 0 H CYS A 30 6.826 4.226 -4.407 1.00 0.00 H new ATOM 0 HA CYS A 30 4.745 2.192 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.237 4.765 -2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.872 3.687 -2.240 1.00 0.00 H new ATOM 455 N HIS A 31 3.039 4.027 -4.847 1.00 0.00 N ATOM 456 CA HIS A 31 2.197 4.859 -5.669 1.00 0.00 C ATOM 457 C HIS A 31 0.802 4.900 -5.083 1.00 0.00 C ATOM 458 O HIS A 31 0.339 3.912 -4.511 1.00 0.00 O ATOM 459 CB HIS A 31 2.139 4.267 -7.077 1.00 0.00 C ATOM 460 CG HIS A 31 1.774 5.309 -8.091 1.00 0.00 C ATOM 461 ND1 HIS A 31 0.657 5.348 -8.894 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.500 6.440 -8.317 1.00 0.00 C ATOM 463 CE1 HIS A 31 0.710 6.486 -9.605 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.832 7.166 -9.310 1.00 0.00 N ATOM 0 H HIS A 31 2.528 3.338 -4.295 1.00 0.00 H new ATOM 0 HA HIS A 31 2.602 5.870 -5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.106 3.832 -7.331 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.409 3.458 -7.104 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.418 6.723 -7.823 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.040 6.809 -10.312 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.138 8.044 -9.730 1.00 0.00 H new ATOM 472 N SER A 32 0.121 6.029 -5.223 1.00 0.00 N ATOM 473 CA SER A 32 -1.229 6.134 -4.711 1.00 0.00 C ATOM 474 C SER A 32 -2.161 5.198 -5.501 1.00 0.00 C ATOM 475 O SER A 32 -1.985 5.006 -6.709 1.00 0.00 O ATOM 476 CB SER A 32 -1.691 7.587 -4.784 1.00 0.00 C ATOM 477 OG SER A 32 -1.716 8.086 -6.119 1.00 0.00 O ATOM 0 H SER A 32 0.477 6.869 -5.679 1.00 0.00 H new ATOM 0 HA SER A 32 -1.257 5.824 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.687 7.670 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.028 8.206 -4.180 1.00 0.00 H new ATOM 0 HG SER A 32 -2.019 9.018 -6.114 1.00 0.00 H new ATOM 483 N PHE A 33 -3.136 4.588 -4.837 1.00 0.00 N ATOM 484 CA PHE A 33 -4.142 3.699 -5.417 1.00 0.00 C ATOM 485 C PHE A 33 -5.478 4.007 -4.731 1.00 0.00 C ATOM 486 O PHE A 33 -5.553 4.901 -3.883 1.00 0.00 O ATOM 487 CB PHE A 33 -3.732 2.213 -5.380 1.00 0.00 C ATOM 488 CG PHE A 33 -4.016 1.468 -4.087 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.282 1.767 -2.930 1.00 0.00 C ATOM 490 CD2 PHE A 33 -5.028 0.490 -4.025 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.568 1.122 -1.718 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.330 -0.139 -2.804 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.600 0.187 -1.648 1.00 0.00 C ATOM 0 H PHE A 33 -3.254 4.704 -3.831 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.243 3.890 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.244 1.697 -6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.663 2.148 -5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.490 2.500 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.574 0.222 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.987 1.350 -0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.122 -0.872 -2.755 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.838 -0.286 -0.707 1.00 0.00 H new ATOM 503 N THR A 34 -6.552 3.308 -5.080 1.00 0.00 N ATOM 504 CA THR A 34 -7.874 3.544 -4.474 1.00 0.00 C ATOM 505 C THR A 34 -8.219 2.416 -3.495 1.00 0.00 C ATOM 506 O THR A 34 -8.066 1.242 -3.846 1.00 0.00 O ATOM 507 CB THR A 34 -8.925 3.782 -5.569 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.943 2.737 -6.518 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.632 5.085 -6.318 1.00 0.00 C ATOM 0 H THR A 34 -6.541 2.568 -5.782 1.00 0.00 H new ATOM 0 HA THR A 34 -7.859 4.456 -3.877 1.00 0.00 H new ATOM 0 HB THR A 34 -9.891 3.831 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.625 2.923 -7.197 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.386 5.238 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.655 5.920 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.647 5.025 -6.780 1.00 0.00 H new ATOM 517 N TYR A 35 -8.650 2.749 -2.269 1.00 0.00 N ATOM 518 CA TYR A 35 -8.994 1.768 -1.242 1.00 0.00 C ATOM 519 C TYR A 35 -10.364 2.076 -0.616 1.00 0.00 C ATOM 520 O TYR A 35 -10.969 3.108 -0.908 1.00 0.00 O ATOM 521 CB TYR A 35 -7.844 1.691 -0.232 1.00 0.00 C ATOM 522 CG TYR A 35 -7.829 0.603 0.818 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.311 -0.678 0.517 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.188 0.924 2.141 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.089 -1.602 1.554 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.978 -0.001 3.175 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.381 -1.249 2.891 1.00 0.00 C ATOM 528 OH TYR A 35 -7.043 -2.104 3.888 1.00 0.00 O ATOM 0 H TYR A 35 -8.769 3.715 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.108 0.777 -1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.918 1.604 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.808 2.646 0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.087 -0.946 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.627 1.886 2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.695 -2.582 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.272 0.241 4.186 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.307 -1.721 4.751 1.00 0.00 H new ATOM 538 N SER A 36 -10.809 1.213 0.295 1.00 0.00 N ATOM 539 CA SER A 36 -12.068 1.248 1.032 1.00 0.00 C ATOM 540 C SER A 36 -11.825 0.822 2.497 1.00 0.00 C ATOM 541 O SER A 36 -10.980 -0.037 2.740 1.00 0.00 O ATOM 542 CB SER A 36 -13.018 0.272 0.323 1.00 0.00 C ATOM 543 OG SER A 36 -13.038 0.520 -1.072 1.00 0.00 O ATOM 0 H SER A 36 -10.249 0.402 0.558 1.00 0.00 H new ATOM 0 HA SER A 36 -12.498 2.250 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.701 -0.754 0.511 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.024 0.374 0.730 1.00 0.00 H new ATOM 0 HG SER A 36 -13.443 1.396 -1.243 1.00 0.00 H new ATOM 549 N GLY A 37 -12.555 1.360 3.476 1.00 0.00 N ATOM 550 CA GLY A 37 -12.444 1.081 4.913 1.00 0.00 C ATOM 551 C GLY A 37 -11.920 -0.307 5.324 1.00 0.00 C ATOM 552 O GLY A 37 -10.821 -0.388 5.885 1.00 0.00 O ATOM 0 H GLY A 37 -13.285 2.044 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.789 1.833 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.429 1.216 5.360 1.00 0.00 H new ATOM 556 N CYS A 38 -12.662 -1.382 5.034 1.00 0.00 N ATOM 557 CA CYS A 38 -12.323 -2.772 5.372 1.00 0.00 C ATOM 558 C CYS A 38 -11.020 -3.271 4.736 1.00 0.00 C ATOM 559 O CYS A 38 -10.063 -3.580 5.448 1.00 0.00 O ATOM 560 CB CYS A 38 -13.463 -3.709 4.962 1.00 0.00 C ATOM 561 SG CYS A 38 -15.067 -3.307 5.670 1.00 0.00 S ATOM 0 H CYS A 38 -13.550 -1.306 4.538 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.175 -2.782 6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.549 -3.699 3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.199 -4.726 5.251 1.00 0.00 H new ATOM 566 N GLY A 39 -11.000 -3.402 3.408 1.00 0.00 N ATOM 567 CA GLY A 39 -9.876 -3.859 2.603 1.00 0.00 C ATOM 568 C GLY A 39 -9.542 -5.340 2.663 1.00 0.00 C ATOM 569 O GLY A 39 -9.865 -6.053 3.610 1.00 0.00 O ATOM 0 H GLY A 39 -11.816 -3.178 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.076 -3.599 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.991 -3.300 2.908 1.00 0.00 H new ATOM 573 N GLY A 40 -8.801 -5.782 1.651 1.00 0.00 N ATOM 574 CA GLY A 40 -8.370 -7.151 1.452 1.00 0.00 C ATOM 575 C GLY A 40 -7.115 -7.506 2.238 1.00 0.00 C ATOM 576 O GLY A 40 -7.127 -8.498 2.968 1.00 0.00 O ATOM 0 H GLY A 40 -8.471 -5.159 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.176 -7.825 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.185 -7.316 0.391 1.00 0.00 H new ATOM 580 N ASN A 41 -6.030 -6.735 2.081 1.00 0.00 N ATOM 581 CA ASN A 41 -4.771 -7.004 2.777 1.00 0.00 C ATOM 582 C ASN A 41 -4.022 -5.755 3.215 1.00 0.00 C ATOM 583 O ASN A 41 -4.249 -4.655 2.708 1.00 0.00 O ATOM 584 CB ASN A 41 -3.830 -7.858 1.915 1.00 0.00 C ATOM 585 CG ASN A 41 -4.275 -9.302 1.708 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.154 -10.144 2.717 1.00 0.00 O flip ATOM 587 ND2 ASN A 41 -4.680 -9.702 0.620 1.00 0.00 N flip ATOM 0 H ASN A 41 -6.003 -5.916 1.474 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.066 -7.544 3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.725 -7.383 0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.842 -7.861 2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.774 -9.051 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.923 -10.685 0.496 1.00 0.00 H new ATOM 594 N ALA A 42 -3.034 -5.997 4.084 1.00 0.00 N ATOM 595 CA ALA A 42 -2.146 -5.041 4.727 1.00 0.00 C ATOM 596 C ALA A 42 -1.301 -4.149 3.817 1.00 0.00 C ATOM 597 O ALA A 42 -0.664 -3.237 4.343 1.00 0.00 O ATOM 598 CB ALA A 42 -1.216 -5.798 5.673 1.00 0.00 C ATOM 0 H ALA A 42 -2.823 -6.951 4.376 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.817 -4.348 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.544 -5.094 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.808 -6.318 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.632 -6.523 5.106 1.00 0.00 H new ATOM 604 N ASN A 43 -1.267 -4.380 2.499 1.00 0.00 N ATOM 605 CA ASN A 43 -0.486 -3.540 1.582 1.00 0.00 C ATOM 606 C ASN A 43 -1.010 -2.097 1.575 1.00 0.00 C ATOM 607 O ASN A 43 -0.367 -1.202 1.032 1.00 0.00 O ATOM 608 CB ASN A 43 -0.476 -4.145 0.171 1.00 0.00 C ATOM 609 CG ASN A 43 0.284 -3.309 -0.867 1.00 0.00 C ATOM 610 OD1 ASN A 43 1.305 -2.703 -0.601 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.160 -3.226 -2.099 1.00 0.00 N ATOM 0 H ASN A 43 -1.771 -5.141 2.044 1.00 0.00 H new ATOM 0 HA ASN A 43 0.544 -3.509 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.030 -5.139 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.505 -4.272 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.347 -2.670 -2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.012 -3.717 -2.368 1.00 0.00 H new ATOM 618 N ARG A 44 -2.183 -1.816 2.144 1.00 0.00 N ATOM 619 CA ARG A 44 -2.640 -0.427 2.142 1.00 0.00 C ATOM 620 C ARG A 44 -1.837 0.425 3.130 1.00 0.00 C ATOM 621 O ARG A 44 -1.765 0.086 4.310 1.00 0.00 O ATOM 622 CB ARG A 44 -4.128 -0.360 2.471 1.00 0.00 C ATOM 623 CG ARG A 44 -4.643 1.090 2.580 1.00 0.00 C ATOM 624 CD ARG A 44 -4.685 1.682 3.999 1.00 0.00 C ATOM 625 NE ARG A 44 -5.510 0.886 4.925 1.00 0.00 N ATOM 626 CZ ARG A 44 -5.850 1.235 6.174 1.00 0.00 C ATOM 627 NH1 ARG A 44 -5.386 2.351 6.731 1.00 0.00 N ATOM 628 NH2 ARG A 44 -6.682 0.478 6.878 1.00 0.00 N ATOM 0 H ARG A 44 -2.805 -2.491 2.590 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.479 -0.022 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.692 -0.886 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.313 -0.880 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.012 1.727 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.648 1.131 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.670 1.749 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.077 2.698 3.953 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.854 -0.012 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.759 2.960 6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.658 2.597 7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.066 -0.374 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.937 0.748 7.828 1.00 0.00 H new ATOM 642 N PHE A 45 -1.333 1.568 2.663 1.00 0.00 N ATOM 643 CA PHE A 45 -0.584 2.555 3.438 1.00 0.00 C ATOM 644 C PHE A 45 -1.351 3.875 3.415 1.00 0.00 C ATOM 645 O PHE A 45 -2.262 4.057 2.607 1.00 0.00 O ATOM 646 CB PHE A 45 0.851 2.724 2.921 1.00 0.00 C ATOM 647 CG PHE A 45 1.812 1.915 3.754 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.947 0.545 3.498 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.490 2.498 4.841 1.00 0.00 C ATOM 650 CE1 PHE A 45 2.787 -0.242 4.291 1.00 0.00 C ATOM 651 CE2 PHE A 45 3.291 1.698 5.673 1.00 0.00 C ATOM 652 CZ PHE A 45 3.434 0.326 5.399 1.00 0.00 C ATOM 0 H PHE A 45 -1.442 1.843 1.687 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.491 2.206 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.908 2.407 1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.133 3.777 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.399 0.094 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.395 3.556 5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.938 -1.284 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.796 2.136 6.521 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.043 -0.292 6.043 1.00 0.00 H new ATOM 662 N ARG A 46 -0.961 4.813 4.282 1.00 0.00 N ATOM 663 CA ARG A 46 -1.580 6.130 4.424 1.00 0.00 C ATOM 664 C ARG A 46 -0.707 7.242 3.868 1.00 0.00 C ATOM 665 O ARG A 46 -1.154 8.378 3.759 1.00 0.00 O ATOM 666 CB ARG A 46 -2.008 6.376 5.887 1.00 0.00 C ATOM 667 CG ARG A 46 -1.040 5.943 7.007 1.00 0.00 C ATOM 668 CD ARG A 46 0.395 6.470 6.928 1.00 0.00 C ATOM 669 NE ARG A 46 0.444 7.940 6.824 1.00 0.00 N ATOM 670 CZ ARG A 46 0.875 8.795 7.758 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.395 8.369 8.903 1.00 0.00 N ATOM 672 NH2 ARG A 46 0.813 10.094 7.508 1.00 0.00 N ATOM 0 H ARG A 46 -0.181 4.671 4.924 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.485 6.142 3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.199 7.443 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.956 5.863 6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.464 6.257 7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.001 4.854 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.946 6.152 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.895 6.030 6.065 1.00 0.00 H new ATOM 0 HE ARG A 46 0.115 8.347 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.473 7.369 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.716 9.042 9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.442 10.425 6.617 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.136 10.764 8.206 1.00 0.00 H new ATOM 686 N THR A 47 0.563 6.967 3.590 1.00 0.00 N ATOM 687 CA THR A 47 1.471 7.940 3.020 1.00 0.00 C ATOM 688 C THR A 47 2.652 7.204 2.430 1.00 0.00 C ATOM 689 O THR A 47 3.039 6.144 2.941 1.00 0.00 O ATOM 690 CB THR A 47 1.917 9.002 4.046 1.00 0.00 C ATOM 691 OG1 THR A 47 2.547 10.081 3.398 1.00 0.00 O ATOM 692 CG2 THR A 47 2.910 8.454 5.069 1.00 0.00 C ATOM 0 H THR A 47 0.988 6.055 3.757 1.00 0.00 H new ATOM 0 HA THR A 47 0.951 8.492 2.236 1.00 0.00 H new ATOM 0 HB THR A 47 1.008 9.317 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.822 10.746 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.189 9.245 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.450 7.632 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.801 8.093 4.554 1.00 0.00 H new ATOM 700 N ILE A 48 3.225 7.787 1.380 1.00 0.00 N ATOM 701 CA ILE A 48 4.388 7.224 0.737 1.00 0.00 C ATOM 702 C ILE A 48 5.580 7.323 1.704 1.00 0.00 C ATOM 703 O ILE A 48 6.496 6.510 1.651 1.00 0.00 O ATOM 704 CB ILE A 48 4.679 7.877 -0.639 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.026 7.355 -1.196 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.617 9.416 -0.596 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.311 7.761 -2.646 1.00 0.00 C ATOM 0 H ILE A 48 2.893 8.655 0.961 1.00 0.00 H new ATOM 0 HA ILE A 48 4.200 6.174 0.513 1.00 0.00 H new ATOM 0 HB ILE A 48 3.886 7.580 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.834 7.722 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.037 6.267 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.829 9.817 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.622 9.731 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.356 9.790 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.274 7.354 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.526 7.370 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.336 8.848 -2.721 1.00 0.00 H new ATOM 719 N ASP A 49 5.559 8.273 2.638 1.00 0.00 N ATOM 720 CA ASP A 49 6.661 8.472 3.574 1.00 0.00 C ATOM 721 C ASP A 49 6.830 7.280 4.508 1.00 0.00 C ATOM 722 O ASP A 49 7.940 6.993 4.942 1.00 0.00 O ATOM 723 CB ASP A 49 6.483 9.754 4.397 1.00 0.00 C ATOM 724 CG ASP A 49 6.542 11.057 3.604 1.00 0.00 C ATOM 725 OD1 ASP A 49 6.219 11.082 2.397 1.00 0.00 O ATOM 726 OD2 ASP A 49 6.854 12.085 4.244 1.00 0.00 O ATOM 0 H ASP A 49 4.782 8.922 2.766 1.00 0.00 H new ATOM 0 HA ASP A 49 7.563 8.570 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.523 9.705 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.255 9.782 5.166 1.00 0.00 H new ATOM 731 N GLU A 50 5.739 6.599 4.862 1.00 0.00 N ATOM 732 CA GLU A 50 5.775 5.459 5.755 1.00 0.00 C ATOM 733 C GLU A 50 5.974 4.188 4.944 1.00 0.00 C ATOM 734 O GLU A 50 6.703 3.308 5.394 1.00 0.00 O ATOM 735 CB GLU A 50 4.497 5.398 6.600 1.00 0.00 C ATOM 736 CG GLU A 50 4.415 6.535 7.635 1.00 0.00 C ATOM 737 CD GLU A 50 5.569 6.512 8.643 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.737 5.475 9.319 1.00 0.00 O ATOM 739 OE2 GLU A 50 6.324 7.511 8.735 1.00 0.00 O ATOM 0 H GLU A 50 4.803 6.831 4.530 1.00 0.00 H new ATOM 0 HA GLU A 50 6.613 5.561 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.629 5.447 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.453 4.439 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.413 7.493 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.469 6.462 8.172 1.00 0.00 H new ATOM 746 N CYS A 51 5.358 4.092 3.760 1.00 0.00 N ATOM 747 CA CYS A 51 5.502 2.908 2.921 1.00 0.00 C ATOM 748 C CYS A 51 6.963 2.757 2.474 1.00 0.00 C ATOM 749 O CYS A 51 7.521 1.659 2.471 1.00 0.00 O ATOM 750 CB CYS A 51 4.581 3.011 1.692 1.00 0.00 C ATOM 751 SG CYS A 51 5.245 4.029 0.356 1.00 0.00 S ATOM 0 H CYS A 51 4.759 4.818 3.367 1.00 0.00 H new ATOM 0 HA CYS A 51 5.216 2.030 3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.390 2.008 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.621 3.422 2.004 1.00 0.00 H new ATOM 756 N ASN A 52 7.606 3.882 2.136 1.00 0.00 N ATOM 757 CA ASN A 52 8.969 3.883 1.665 1.00 0.00 C ATOM 758 C ASN A 52 9.890 3.593 2.827 1.00 0.00 C ATOM 759 O ASN A 52 10.580 2.577 2.802 1.00 0.00 O ATOM 760 CB ASN A 52 9.314 5.116 0.803 1.00 0.00 C ATOM 761 CG ASN A 52 9.940 6.285 1.543 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.050 6.205 2.055 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.230 7.387 1.608 1.00 0.00 N ATOM 0 H ASN A 52 7.184 4.809 2.186 1.00 0.00 H new ATOM 0 HA ASN A 52 9.118 3.075 0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.996 4.804 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.402 5.464 0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.600 8.204 2.094 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.308 7.426 1.173 1.00 0.00 H new ATOM 770 N ARG A 53 9.789 4.358 3.915 1.00 0.00 N ATOM 771 CA ARG A 53 10.681 4.110 5.048 1.00 0.00 C ATOM 772 C ARG A 53 10.599 2.682 5.613 1.00 0.00 C ATOM 773 O ARG A 53 11.578 2.222 6.208 1.00 0.00 O ATOM 774 CB ARG A 53 10.497 5.185 6.129 1.00 0.00 C ATOM 775 CG ARG A 53 9.351 4.864 7.094 1.00 0.00 C ATOM 776 CD ARG A 53 8.960 6.057 7.958 1.00 0.00 C ATOM 777 NE ARG A 53 10.051 6.489 8.828 1.00 0.00 N ATOM 778 CZ ARG A 53 9.950 7.390 9.801 1.00 0.00 C ATOM 779 NH1 ARG A 53 8.786 7.977 10.074 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.042 7.689 10.490 1.00 0.00 N ATOM 0 H ARG A 53 9.127 5.125 4.035 1.00 0.00 H new ATOM 0 HA ARG A 53 11.698 4.187 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.424 5.289 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.306 6.146 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.483 4.533 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.645 4.035 7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.659 6.885 7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.094 5.795 8.566 1.00 0.00 H new ATOM 0 HE ARG A 53 10.966 6.064 8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.955 7.737 9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.726 8.666 10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.926 7.232 10.268 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.998 8.376 11.243 1.00 0.00 H new ATOM 794 N THR A 54 9.475 1.971 5.465 1.00 0.00 N ATOM 795 CA THR A 54 9.318 0.616 5.990 1.00 0.00 C ATOM 796 C THR A 54 9.557 -0.502 4.958 1.00 0.00 C ATOM 797 O THR A 54 9.823 -1.626 5.389 1.00 0.00 O ATOM 798 CB THR A 54 7.951 0.539 6.701 1.00 0.00 C ATOM 799 OG1 THR A 54 7.901 -0.460 7.700 1.00 0.00 O ATOM 800 CG2 THR A 54 6.769 0.321 5.757 1.00 0.00 C ATOM 0 H THR A 54 8.651 2.322 4.977 1.00 0.00 H new ATOM 0 HA THR A 54 10.111 0.424 6.713 1.00 0.00 H new ATOM 0 HB THR A 54 7.856 1.524 7.159 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.014 -0.462 8.117 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.845 0.278 6.334 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.715 1.145 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.903 -0.616 5.217 1.00 0.00 H new ATOM 808 N CYS A 55 9.535 -0.242 3.641 1.00 0.00 N ATOM 809 CA CYS A 55 9.728 -1.287 2.627 1.00 0.00 C ATOM 810 C CYS A 55 10.608 -0.901 1.440 1.00 0.00 C ATOM 811 O CYS A 55 11.088 -1.785 0.739 1.00 0.00 O ATOM 812 CB CYS A 55 8.360 -1.695 2.067 1.00 0.00 C ATOM 813 SG CYS A 55 7.039 -1.942 3.270 1.00 0.00 S ATOM 0 H CYS A 55 9.384 0.689 3.253 1.00 0.00 H new ATOM 0 HA CYS A 55 10.244 -2.093 3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.039 -0.930 1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.484 -2.619 1.502 1.00 0.00 H new ATOM 818 N VAL A 56 10.762 0.376 1.123 1.00 0.00 N ATOM 819 CA VAL A 56 11.596 0.802 0.006 1.00 0.00 C ATOM 820 C VAL A 56 13.040 0.683 0.470 1.00 0.00 C ATOM 821 O VAL A 56 13.556 1.538 1.192 1.00 0.00 O ATOM 822 CB VAL A 56 11.202 2.203 -0.492 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.216 2.861 -1.430 1.00 0.00 C ATOM 824 CG2 VAL A 56 9.859 2.114 -1.242 1.00 0.00 C ATOM 0 H VAL A 56 10.316 1.142 1.628 1.00 0.00 H new ATOM 0 HA VAL A 56 11.454 0.169 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 56 11.148 2.824 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.852 3.844 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.171 2.969 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.349 2.240 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.574 3.104 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.961 1.439 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.090 1.736 -0.568 1.00 0.00 H new ATOM 834 N GLY A 57 13.690 -0.399 0.050 1.00 0.00 N ATOM 835 CA GLY A 57 15.068 -0.684 0.364 1.00 0.00 C ATOM 836 C GLY A 57 15.278 -2.164 0.372 1.00 0.00 C ATOM 837 O GLY A 57 15.757 -2.686 1.401 1.00 0.00 O ATOM 0 H GLY A 57 13.253 -1.114 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.724 -0.216 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.326 -0.263 1.336 1.00 0.00 H new