USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 337 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 31 TYR OH : rot 147:sc= 0.00732 USER MOD Single : A 33 ASN : amide:sc= -2.86! C(o=-2.9!,f=-11!) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.0351 (180deg=-0.0695) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 44 SER OG : rot 130:sc= -0.0245 USER MOD Single : A 45 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 47 THR OG1 : rot -89:sc= 0.703 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -9.786 -3.027 -9.603 1.00 0.00 N ATOM 2 CA LEU A 1 -10.602 -2.044 -10.294 1.00 0.00 C ATOM 3 C LEU A 1 -12.010 -2.043 -9.696 1.00 0.00 C ATOM 4 O LEU A 1 -12.977 -2.382 -10.375 1.00 0.00 O ATOM 5 CB LEU A 1 -10.576 -2.293 -11.804 1.00 0.00 C ATOM 6 CG LEU A 1 -11.421 -1.343 -12.655 1.00 0.00 C ATOM 7 CD1 LEU A 1 -10.812 0.060 -12.681 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.626 -1.906 -14.064 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.828 -3.029 -10.008 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.734 -2.787 -8.593 1.00 0.00 H new ATOM 0 H3 LEU A 1 -10.211 -3.970 -9.713 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.194 -1.043 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.542 -2.232 -12.145 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -10.913 -3.313 -11.990 1.00 0.00 H new ATOM 0 HG LEU A 1 -12.406 -1.257 -12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.433 0.715 -13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -10.761 0.453 -11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -9.808 0.013 -13.103 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -12.230 -1.212 -14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.658 -2.040 -14.547 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -12.137 -2.867 -14.001 1.00 0.00 H new ATOM 19 N ALA A 2 -12.080 -1.657 -8.430 1.00 0.00 N ATOM 20 CA ALA A 2 -13.353 -1.608 -7.733 1.00 0.00 C ATOM 21 C ALA A 2 -13.395 -0.363 -6.844 1.00 0.00 C ATOM 22 O ALA A 2 -13.616 -0.463 -5.638 1.00 0.00 O ATOM 23 CB ALA A 2 -13.550 -2.900 -6.936 1.00 0.00 C ATOM 0 H ALA A 2 -11.276 -1.375 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.176 -1.535 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.506 -2.863 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.541 -3.752 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.743 -3.007 -6.211 1.00 0.00 H new ATOM 29 N ALA A 3 -13.179 0.783 -7.475 1.00 0.00 N ATOM 30 CA ALA A 3 -13.190 2.046 -6.756 1.00 0.00 C ATOM 31 C ALA A 3 -12.457 1.875 -5.423 1.00 0.00 C ATOM 32 O ALA A 3 -13.076 1.926 -4.361 1.00 0.00 O ATOM 33 CB ALA A 3 -14.633 2.517 -6.573 1.00 0.00 C ATOM 0 H ALA A 3 -12.996 0.863 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.667 2.816 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.641 3.464 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -15.098 2.651 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.190 1.772 -6.005 1.00 0.00 H new ATOM 39 N VAL A 4 -11.151 1.678 -5.523 1.00 0.00 N ATOM 40 CA VAL A 4 -10.328 1.500 -4.338 1.00 0.00 C ATOM 41 C VAL A 4 -9.033 2.298 -4.498 1.00 0.00 C ATOM 42 O VAL A 4 -8.720 2.768 -5.591 1.00 0.00 O ATOM 43 CB VAL A 4 -10.086 0.010 -4.089 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.365 -0.635 -5.274 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.310 -0.209 -2.788 1.00 0.00 C ATOM 0 H VAL A 4 -10.642 1.638 -6.406 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.839 1.884 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.057 -0.474 -3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.206 -1.694 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.972 -0.526 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.403 -0.146 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.151 -1.276 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.346 0.296 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.879 0.197 -1.952 1.00 0.00 H new ATOM 55 N SER A 5 -8.314 2.425 -3.393 1.00 0.00 N ATOM 56 CA SER A 5 -7.059 3.158 -3.396 1.00 0.00 C ATOM 57 C SER A 5 -6.451 3.159 -1.992 1.00 0.00 C ATOM 58 O SER A 5 -7.128 2.838 -1.018 1.00 0.00 O ATOM 59 CB SER A 5 -7.261 4.593 -3.889 1.00 0.00 C ATOM 60 OG SER A 5 -6.096 5.104 -4.530 1.00 0.00 O ATOM 0 H SER A 5 -8.576 2.033 -2.489 1.00 0.00 H new ATOM 0 HA SER A 5 -6.373 2.660 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.100 4.623 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.522 5.233 -3.046 1.00 0.00 H new ATOM 0 HG SER A 5 -6.264 6.021 -4.832 1.00 0.00 H new ATOM 65 N VAL A 6 -5.178 3.524 -1.935 1.00 0.00 N ATOM 66 CA VAL A 6 -4.470 3.571 -0.667 1.00 0.00 C ATOM 67 C VAL A 6 -4.169 5.029 -0.310 1.00 0.00 C ATOM 68 O VAL A 6 -3.632 5.774 -1.129 1.00 0.00 O ATOM 69 CB VAL A 6 -3.213 2.701 -0.737 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.340 2.899 0.504 1.00 0.00 C ATOM 71 CG2 VAL A 6 -3.577 1.226 -0.922 1.00 0.00 C ATOM 0 H VAL A 6 -4.619 3.790 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.089 3.161 0.132 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.636 3.015 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.453 2.269 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.038 3.944 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.906 2.625 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.666 0.629 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.186 0.893 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.139 1.103 -1.848 1.00 0.00 H new ATOM 81 N ASP A 7 -4.527 5.391 0.913 1.00 0.00 N ATOM 82 CA ASP A 7 -4.303 6.745 1.388 1.00 0.00 C ATOM 83 C ASP A 7 -3.305 6.715 2.548 1.00 0.00 C ATOM 84 O ASP A 7 -3.596 6.160 3.607 1.00 0.00 O ATOM 85 CB ASP A 7 -5.601 7.373 1.898 1.00 0.00 C ATOM 86 CG ASP A 7 -5.418 8.520 2.894 1.00 0.00 C ATOM 87 OD1 ASP A 7 -5.160 8.295 4.086 1.00 0.00 O ATOM 88 OD2 ASP A 7 -5.553 9.701 2.396 1.00 0.00 O ATOM 0 H ASP A 7 -4.971 4.770 1.589 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.921 7.335 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.169 7.741 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.202 6.595 2.369 1.00 0.00 H new ATOM 93 N CYS A 8 -2.150 7.318 2.308 1.00 0.00 N ATOM 94 CA CYS A 8 -1.108 7.367 3.319 1.00 0.00 C ATOM 95 C CYS A 8 -1.078 8.777 3.911 1.00 0.00 C ATOM 96 O CYS A 8 -0.013 9.291 4.249 1.00 0.00 O ATOM 97 CB CYS A 8 0.253 6.959 2.751 1.00 0.00 C ATOM 98 SG CYS A 8 0.585 7.556 1.052 1.00 0.00 S ATOM 0 H CYS A 8 -1.913 7.777 1.428 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.330 6.647 4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.034 7.334 3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.323 5.871 2.759 1.00 0.00 H new ATOM 102 N SER A 9 -2.262 9.364 4.019 1.00 0.00 N ATOM 103 CA SER A 9 -2.386 10.705 4.564 1.00 0.00 C ATOM 104 C SER A 9 -2.424 10.647 6.093 1.00 0.00 C ATOM 105 O SER A 9 -1.970 11.571 6.765 1.00 0.00 O ATOM 106 CB SER A 9 -3.636 11.405 4.027 1.00 0.00 C ATOM 107 OG SER A 9 -3.584 12.815 4.224 1.00 0.00 O ATOM 0 H SER A 9 -3.144 8.935 3.738 1.00 0.00 H new ATOM 0 HA SER A 9 -1.517 11.283 4.251 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.743 11.191 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.519 11.002 4.523 1.00 0.00 H new ATOM 0 HG SER A 9 -4.399 13.226 3.867 1.00 0.00 H new ATOM 112 N GLU A 10 -2.973 9.552 6.598 1.00 0.00 N ATOM 113 CA GLU A 10 -3.077 9.360 8.034 1.00 0.00 C ATOM 114 C GLU A 10 -2.436 8.033 8.442 1.00 0.00 C ATOM 115 O GLU A 10 -3.088 7.185 9.051 1.00 0.00 O ATOM 116 CB GLU A 10 -4.536 9.428 8.492 1.00 0.00 C ATOM 117 CG GLU A 10 -5.364 8.315 7.848 1.00 0.00 C ATOM 118 CD GLU A 10 -6.140 7.527 8.907 1.00 0.00 C ATOM 119 OE1 GLU A 10 -7.220 7.959 9.334 1.00 0.00 O ATOM 120 OE2 GLU A 10 -5.582 6.426 9.284 1.00 0.00 O ATOM 0 H GLU A 10 -3.351 8.788 6.037 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.537 10.168 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.585 9.341 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.958 10.398 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.059 8.745 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.708 7.642 7.296 1.00 0.00 H new ATOM 126 N TYR A 11 -1.166 7.894 8.090 1.00 0.00 N ATOM 127 CA TYR A 11 -0.429 6.682 8.411 1.00 0.00 C ATOM 128 C TYR A 11 1.057 6.842 8.086 1.00 0.00 C ATOM 129 O TYR A 11 1.496 6.503 6.987 1.00 0.00 O ATOM 130 CB TYR A 11 -1.018 5.583 7.525 1.00 0.00 C ATOM 131 CG TYR A 11 -2.034 4.688 8.237 1.00 0.00 C ATOM 132 CD1 TYR A 11 -1.663 3.982 9.364 1.00 0.00 C ATOM 133 CD2 TYR A 11 -3.323 4.585 7.752 1.00 0.00 C ATOM 134 CE1 TYR A 11 -2.620 3.139 10.034 1.00 0.00 C ATOM 135 CE2 TYR A 11 -4.279 3.743 8.423 1.00 0.00 C ATOM 136 CZ TYR A 11 -3.881 3.061 9.530 1.00 0.00 C ATOM 137 OH TYR A 11 -4.784 2.266 10.162 1.00 0.00 O ATOM 0 H TYR A 11 -0.629 8.600 7.586 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.513 6.452 9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.498 6.044 6.662 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.206 4.963 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.655 4.062 9.743 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.614 5.136 6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.343 2.582 10.916 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.291 3.655 8.055 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.643 2.309 9.692 1.00 0.00 H new ATOM 146 N PRO A 12 1.810 7.374 9.085 1.00 0.00 N ATOM 147 CA PRO A 12 3.238 7.583 8.916 1.00 0.00 C ATOM 148 C PRO A 12 3.999 6.258 8.998 1.00 0.00 C ATOM 149 O PRO A 12 3.715 5.426 9.859 1.00 0.00 O ATOM 150 CB PRO A 12 3.626 8.559 10.014 1.00 0.00 C ATOM 151 CG PRO A 12 2.505 8.502 11.038 1.00 0.00 C ATOM 152 CD PRO A 12 1.325 7.787 10.399 1.00 0.00 C ATOM 0 HA PRO A 12 3.491 7.987 7.936 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.580 8.282 10.463 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.741 9.568 9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.832 7.973 11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.220 9.507 11.348 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.013 6.929 10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.461 8.447 10.313 1.00 0.00 H new ATOM 157 N LYS A 13 4.954 6.103 8.091 1.00 0.00 N ATOM 158 CA LYS A 13 5.758 4.895 8.051 1.00 0.00 C ATOM 159 C LYS A 13 6.454 4.704 9.400 1.00 0.00 C ATOM 160 O LYS A 13 6.918 3.609 9.714 1.00 0.00 O ATOM 161 CB LYS A 13 6.722 4.932 6.862 1.00 0.00 C ATOM 162 CG LYS A 13 7.919 5.837 7.156 1.00 0.00 C ATOM 163 CD LYS A 13 7.952 7.031 6.201 1.00 0.00 C ATOM 164 CE LYS A 13 9.046 6.860 5.146 1.00 0.00 C ATOM 165 NZ LYS A 13 10.156 7.809 5.392 1.00 0.00 N ATOM 0 H LYS A 13 5.188 6.795 7.379 1.00 0.00 H new ATOM 0 HA LYS A 13 5.125 4.022 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.070 3.923 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.199 5.291 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.867 6.192 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.843 5.266 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.984 7.137 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.126 7.947 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.423 5.837 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.630 7.027 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.890 7.680 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.795 8.784 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.563 7.631 6.332 1.00 0.00 H new ATOM 175 N ASP A 14 6.503 5.787 10.161 1.00 0.00 N ATOM 176 CA ASP A 14 7.135 5.753 11.470 1.00 0.00 C ATOM 177 C ASP A 14 6.165 5.143 12.483 1.00 0.00 C ATOM 178 O ASP A 14 6.574 4.723 13.565 1.00 0.00 O ATOM 179 CB ASP A 14 7.491 7.163 11.947 1.00 0.00 C ATOM 180 CG ASP A 14 7.760 7.289 13.448 1.00 0.00 C ATOM 181 OD1 ASP A 14 8.493 6.479 14.035 1.00 0.00 O ATOM 182 OD2 ASP A 14 7.176 8.283 14.025 1.00 0.00 O ATOM 0 H ASP A 14 6.116 6.693 9.897 1.00 0.00 H new ATOM 0 HA ASP A 14 8.045 5.159 11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.374 7.501 11.405 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.676 7.837 11.681 1.00 0.00 H new ATOM 187 N ALA A 15 4.898 5.112 12.099 1.00 0.00 N ATOM 188 CA ALA A 15 3.866 4.560 12.960 1.00 0.00 C ATOM 189 C ALA A 15 3.508 3.152 12.481 1.00 0.00 C ATOM 190 O ALA A 15 4.377 2.288 12.376 1.00 0.00 O ATOM 191 CB ALA A 15 2.657 5.497 12.973 1.00 0.00 C ATOM 0 H ALA A 15 4.562 5.461 11.201 1.00 0.00 H new ATOM 0 HA ALA A 15 4.225 4.478 13.986 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.883 5.083 13.619 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.958 6.475 13.349 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.267 5.602 11.961 1.00 0.00 H new ATOM 197 N CYS A 16 2.226 2.964 12.202 1.00 0.00 N ATOM 198 CA CYS A 16 1.742 1.676 11.736 1.00 0.00 C ATOM 199 C CYS A 16 2.140 0.614 12.763 1.00 0.00 C ATOM 200 O CYS A 16 3.292 0.185 12.803 1.00 0.00 O ATOM 201 CB CYS A 16 2.270 1.344 10.339 1.00 0.00 C ATOM 202 SG CYS A 16 2.956 2.770 9.420 1.00 0.00 S ATOM 0 H CYS A 16 1.508 3.683 12.290 1.00 0.00 H new ATOM 0 HA CYS A 16 0.656 1.704 11.645 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.044 0.582 10.430 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.460 0.908 9.754 1.00 0.00 H new ATOM 206 N THR A 17 1.164 0.219 13.568 1.00 0.00 N ATOM 207 CA THR A 17 1.399 -0.784 14.593 1.00 0.00 C ATOM 208 C THR A 17 1.838 -2.104 13.955 1.00 0.00 C ATOM 209 O THR A 17 2.618 -2.108 13.003 1.00 0.00 O ATOM 210 CB THR A 17 0.125 -0.909 15.431 1.00 0.00 C ATOM 211 OG1 THR A 17 -0.366 0.425 15.519 1.00 0.00 O ATOM 212 CG2 THR A 17 0.416 -1.295 16.883 1.00 0.00 C ATOM 0 H THR A 17 0.209 0.575 13.531 1.00 0.00 H new ATOM 0 HA THR A 17 2.214 -0.491 15.255 1.00 0.00 H new ATOM 0 HB THR A 17 -0.533 -1.653 14.982 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.193 0.435 16.045 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.521 -1.370 17.434 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.930 -2.256 16.908 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.047 -0.534 17.342 1.00 0.00 H new ATOM 220 N LEU A 18 1.320 -3.191 14.505 1.00 0.00 N ATOM 221 CA LEU A 18 1.650 -4.514 14.003 1.00 0.00 C ATOM 222 C LEU A 18 0.579 -4.956 13.001 1.00 0.00 C ATOM 223 O LEU A 18 0.462 -6.141 12.697 1.00 0.00 O ATOM 224 CB LEU A 18 1.850 -5.494 15.161 1.00 0.00 C ATOM 225 CG LEU A 18 0.574 -6.049 15.798 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.596 -7.579 15.825 1.00 0.00 C ATOM 227 CD2 LEU A 18 0.351 -5.455 17.189 1.00 0.00 C ATOM 0 H LEU A 18 0.674 -3.183 15.294 1.00 0.00 H new ATOM 0 HA LEU A 18 2.600 -4.492 13.468 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.448 -6.332 14.802 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.432 -4.996 15.936 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.273 -5.749 15.181 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.322 -7.948 16.283 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.672 -7.960 14.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.453 -7.920 16.405 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.562 -5.867 17.618 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.197 -5.703 17.830 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.259 -4.372 17.112 1.00 0.00 H new ATOM 238 N GLU A 19 -0.172 -3.978 12.519 1.00 0.00 N ATOM 239 CA GLU A 19 -1.229 -4.251 11.558 1.00 0.00 C ATOM 240 C GLU A 19 -0.632 -4.753 10.242 1.00 0.00 C ATOM 241 O GLU A 19 0.352 -4.202 9.752 1.00 0.00 O ATOM 242 CB GLU A 19 -2.096 -3.012 11.330 1.00 0.00 C ATOM 243 CG GLU A 19 -1.401 -2.021 10.395 1.00 0.00 C ATOM 244 CD GLU A 19 -0.196 -1.372 11.079 1.00 0.00 C ATOM 245 OE1 GLU A 19 0.921 -1.907 11.005 1.00 0.00 O ATOM 246 OE2 GLU A 19 -0.451 -0.274 11.706 1.00 0.00 O ATOM 0 H GLU A 19 -0.071 -2.996 12.775 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.871 -5.032 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.055 -3.308 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.306 -2.530 12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.076 -2.536 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.107 -1.250 10.087 1.00 0.00 H new ATOM 252 N TYR A 20 -1.253 -5.794 9.707 1.00 0.00 N ATOM 253 CA TYR A 20 -0.796 -6.377 8.457 1.00 0.00 C ATOM 254 C TYR A 20 -1.921 -6.404 7.421 1.00 0.00 C ATOM 255 O TYR A 20 -2.958 -7.030 7.641 1.00 0.00 O ATOM 256 CB TYR A 20 -0.387 -7.813 8.786 1.00 0.00 C ATOM 257 CG TYR A 20 0.694 -8.379 7.862 1.00 0.00 C ATOM 258 CD1 TYR A 20 0.408 -8.631 6.536 1.00 0.00 C ATOM 259 CD2 TYR A 20 1.957 -8.639 8.357 1.00 0.00 C ATOM 260 CE1 TYR A 20 1.425 -9.163 5.668 1.00 0.00 C ATOM 261 CE2 TYR A 20 2.974 -9.171 7.488 1.00 0.00 C ATOM 262 CZ TYR A 20 2.658 -9.407 6.186 1.00 0.00 C ATOM 263 OH TYR A 20 3.619 -9.910 5.366 1.00 0.00 O ATOM 0 H TYR A 20 -2.069 -6.249 10.116 1.00 0.00 H new ATOM 0 HA TYR A 20 0.025 -5.794 8.039 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.028 -7.851 9.814 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.268 -8.452 8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.580 -8.429 6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.181 -8.443 9.395 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.213 -9.364 4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.966 -9.378 7.861 1.00 0.00 H new ATOM 0 HH TYR A 20 4.449 -10.033 5.872 1.00 0.00 H new ATOM 272 N ARG A 21 -1.680 -5.720 6.313 1.00 0.00 N ATOM 273 CA ARG A 21 -2.660 -5.657 5.243 1.00 0.00 C ATOM 274 C ARG A 21 -1.972 -5.802 3.883 1.00 0.00 C ATOM 275 O ARG A 21 -1.299 -4.881 3.423 1.00 0.00 O ATOM 276 CB ARG A 21 -3.431 -4.336 5.278 1.00 0.00 C ATOM 277 CG ARG A 21 -3.573 -3.821 6.712 1.00 0.00 C ATOM 278 CD ARG A 21 -4.498 -4.724 7.530 1.00 0.00 C ATOM 279 NE ARG A 21 -5.830 -4.092 7.666 1.00 0.00 N ATOM 280 CZ ARG A 21 -6.846 -4.292 6.817 1.00 0.00 C ATOM 281 NH1 ARG A 21 -6.690 -5.106 5.764 1.00 0.00 N ATOM 282 NH2 ARG A 21 -8.020 -3.676 7.020 1.00 0.00 N ATOM 0 H ARG A 21 -0.819 -5.204 6.133 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.362 -6.478 5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.914 -3.593 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.419 -4.476 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.592 -3.776 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.968 -2.805 6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.595 -5.695 7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.068 -4.902 8.516 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.983 -3.465 8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.797 -5.574 5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.464 -5.258 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.139 -3.055 7.821 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.794 -3.828 6.374 1.00 0.00 H new ATOM 293 N PRO A 22 -2.170 -6.997 3.263 1.00 0.00 N ATOM 294 CA PRO A 22 -1.577 -7.273 1.967 1.00 0.00 C ATOM 295 C PRO A 22 -2.320 -6.532 0.853 1.00 0.00 C ATOM 296 O PRO A 22 -3.532 -6.335 0.936 1.00 0.00 O ATOM 297 CB PRO A 22 -1.640 -8.785 1.820 1.00 0.00 C ATOM 298 CG PRO A 22 -2.680 -9.258 2.823 1.00 0.00 C ATOM 299 CD PRO A 22 -2.961 -8.109 3.779 1.00 0.00 C ATOM 0 HA PRO A 22 -0.548 -6.921 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.919 -9.067 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.669 -9.238 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.594 -9.561 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.316 -10.129 3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.023 -7.863 3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.671 -8.362 4.799 1.00 0.00 H new ATOM 304 N LEU A 23 -1.565 -6.144 -0.163 1.00 0.00 N ATOM 305 CA LEU A 23 -2.137 -5.430 -1.291 1.00 0.00 C ATOM 306 C LEU A 23 -1.198 -5.548 -2.494 1.00 0.00 C ATOM 307 O LEU A 23 -0.071 -6.022 -2.361 1.00 0.00 O ATOM 308 CB LEU A 23 -2.460 -3.985 -0.903 1.00 0.00 C ATOM 309 CG LEU A 23 -1.265 -3.113 -0.512 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.548 -1.637 -0.792 1.00 0.00 C ATOM 311 CD2 LEU A 23 -0.866 -3.353 0.947 1.00 0.00 C ATOM 0 H LEU A 23 -0.561 -6.311 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.087 -5.878 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.972 -3.511 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.161 -4.002 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.415 -3.401 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.683 -1.040 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.747 -1.500 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.416 -1.317 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.014 -2.721 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.705 -3.109 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.594 -4.400 1.082 1.00 0.00 H new ATOM 322 N CYS A 24 -1.698 -5.111 -3.640 1.00 0.00 N ATOM 323 CA CYS A 24 -0.919 -5.162 -4.865 1.00 0.00 C ATOM 324 C CYS A 24 -0.880 -3.756 -5.468 1.00 0.00 C ATOM 325 O CYS A 24 -1.810 -2.972 -5.287 1.00 0.00 O ATOM 326 CB CYS A 24 -1.480 -6.189 -5.850 1.00 0.00 C ATOM 327 SG CYS A 24 -0.873 -6.017 -7.568 1.00 0.00 S ATOM 0 H CYS A 24 -2.634 -4.720 -3.746 1.00 0.00 H new ATOM 0 HA CYS A 24 0.096 -5.489 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.233 -7.188 -5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.567 -6.111 -5.854 1.00 0.00 H new ATOM 331 N GLY A 25 0.207 -3.480 -6.174 1.00 0.00 N ATOM 332 CA GLY A 25 0.381 -2.183 -6.805 1.00 0.00 C ATOM 333 C GLY A 25 0.188 -2.280 -8.320 1.00 0.00 C ATOM 334 O GLY A 25 0.214 -3.373 -8.884 1.00 0.00 O ATOM 0 H GLY A 25 0.976 -4.133 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.334 -1.473 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.377 -1.798 -6.586 1.00 0.00 H new ATOM 338 N SER A 26 -0.002 -1.123 -8.936 1.00 0.00 N ATOM 339 CA SER A 26 -0.199 -1.063 -10.373 1.00 0.00 C ATOM 340 C SER A 26 1.022 -1.639 -11.093 1.00 0.00 C ATOM 341 O SER A 26 0.928 -2.050 -12.249 1.00 0.00 O ATOM 342 CB SER A 26 -0.460 0.372 -10.835 1.00 0.00 C ATOM 343 OG SER A 26 0.084 0.625 -12.128 1.00 0.00 O ATOM 0 H SER A 26 -0.024 -0.219 -8.465 1.00 0.00 H new ATOM 0 HA SER A 26 -1.076 -1.661 -10.623 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.534 0.558 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.027 1.068 -10.117 1.00 0.00 H new ATOM 0 HG SER A 26 -0.105 1.551 -12.387 1.00 0.00 H new ATOM 348 N ASP A 27 2.139 -1.648 -10.381 1.00 0.00 N ATOM 349 CA ASP A 27 3.377 -2.167 -10.938 1.00 0.00 C ATOM 350 C ASP A 27 3.412 -3.686 -10.763 1.00 0.00 C ATOM 351 O ASP A 27 4.307 -4.354 -11.280 1.00 0.00 O ATOM 352 CB ASP A 27 4.593 -1.580 -10.217 1.00 0.00 C ATOM 353 CG ASP A 27 4.585 -1.745 -8.696 1.00 0.00 C ATOM 354 OD1 ASP A 27 3.521 -1.888 -8.075 1.00 0.00 O ATOM 355 OD2 ASP A 27 5.749 -1.721 -8.139 1.00 0.00 O ATOM 0 H ASP A 27 2.213 -1.304 -9.423 1.00 0.00 H new ATOM 0 HA ASP A 27 3.415 -1.892 -11.992 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.493 -2.050 -10.614 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.658 -0.518 -10.452 1.00 0.00 H new ATOM 360 N ASN A 28 2.428 -4.190 -10.033 1.00 0.00 N ATOM 361 CA ASN A 28 2.335 -5.619 -9.785 1.00 0.00 C ATOM 362 C ASN A 28 3.243 -5.987 -8.610 1.00 0.00 C ATOM 363 O ASN A 28 3.850 -7.056 -8.602 1.00 0.00 O ATOM 364 CB ASN A 28 2.792 -6.421 -11.005 1.00 0.00 C ATOM 365 CG ASN A 28 2.101 -7.785 -11.054 1.00 0.00 C ATOM 366 OD1 ASN A 28 2.601 -8.781 -10.558 1.00 0.00 O ATOM 367 ND2 ASN A 28 0.927 -7.775 -11.679 1.00 0.00 N ATOM 0 H ASN A 28 1.688 -3.634 -9.605 1.00 0.00 H new ATOM 0 HA ASN A 28 1.294 -5.857 -9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.570 -5.864 -11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.873 -6.558 -10.971 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.388 -8.637 -11.765 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.566 -6.906 -12.072 1.00 0.00 H new ATOM 373 N LYS A 29 3.308 -5.081 -7.646 1.00 0.00 N ATOM 374 CA LYS A 29 4.131 -5.297 -6.468 1.00 0.00 C ATOM 375 C LYS A 29 3.247 -5.769 -5.312 1.00 0.00 C ATOM 376 O LYS A 29 2.178 -5.209 -5.075 1.00 0.00 O ATOM 377 CB LYS A 29 4.946 -4.042 -6.147 1.00 0.00 C ATOM 378 CG LYS A 29 6.427 -4.384 -5.962 1.00 0.00 C ATOM 379 CD LYS A 29 7.175 -3.230 -5.290 1.00 0.00 C ATOM 380 CE LYS A 29 8.442 -3.731 -4.595 1.00 0.00 C ATOM 381 NZ LYS A 29 8.973 -2.698 -3.678 1.00 0.00 N ATOM 0 H LYS A 29 2.804 -4.195 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 29 4.861 -6.085 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.834 -3.315 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.561 -3.575 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.523 -5.286 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.878 -4.600 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.437 -2.479 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.524 -2.744 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.222 -4.642 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.196 -3.987 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.833 -3.054 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.201 -1.839 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.258 -2.474 -2.956 1.00 0.00 H new ATOM 391 N THR A 30 3.725 -6.795 -4.624 1.00 0.00 N ATOM 392 CA THR A 30 2.991 -7.349 -3.499 1.00 0.00 C ATOM 393 C THR A 30 3.491 -6.742 -2.186 1.00 0.00 C ATOM 394 O THR A 30 4.653 -6.915 -1.821 1.00 0.00 O ATOM 395 CB THR A 30 3.123 -8.872 -3.553 1.00 0.00 C ATOM 396 OG1 THR A 30 2.115 -9.275 -4.478 1.00 0.00 O ATOM 397 CG2 THR A 30 2.713 -9.542 -2.240 1.00 0.00 C ATOM 0 H THR A 30 4.612 -7.257 -4.824 1.00 0.00 H new ATOM 0 HA THR A 30 1.932 -7.098 -3.555 1.00 0.00 H new ATOM 0 HB THR A 30 4.153 -9.139 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.131 -10.250 -4.575 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.825 -10.622 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.348 -9.179 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.673 -9.303 -2.019 1.00 0.00 H new ATOM 405 N TYR A 31 2.589 -6.043 -1.513 1.00 0.00 N ATOM 406 CA TYR A 31 2.924 -5.409 -0.249 1.00 0.00 C ATOM 407 C TYR A 31 2.247 -6.129 0.920 1.00 0.00 C ATOM 408 O TYR A 31 1.226 -6.790 0.739 1.00 0.00 O ATOM 409 CB TYR A 31 2.382 -3.982 -0.337 1.00 0.00 C ATOM 410 CG TYR A 31 2.816 -3.227 -1.595 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.998 -2.517 -1.600 1.00 0.00 C ATOM 412 CD2 TYR A 31 2.024 -3.258 -2.726 1.00 0.00 C ATOM 413 CE1 TYR A 31 4.407 -1.808 -2.785 1.00 0.00 C ATOM 414 CE2 TYR A 31 2.432 -2.548 -3.909 1.00 0.00 C ATOM 415 CZ TYR A 31 3.603 -1.857 -3.881 1.00 0.00 C ATOM 416 OH TYR A 31 3.989 -1.187 -5.000 1.00 0.00 O ATOM 0 H TYR A 31 1.626 -5.902 -1.819 1.00 0.00 H new ATOM 0 HA TYR A 31 4.000 -5.437 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.293 -4.015 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.711 -3.425 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.617 -2.493 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.099 -3.815 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.331 -1.250 -2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.822 -2.563 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 31 3.686 -1.675 -5.794 1.00 0.00 H new ATOM 425 N GLY A 32 2.844 -5.974 2.093 1.00 0.00 N ATOM 426 CA GLY A 32 2.312 -6.600 3.291 1.00 0.00 C ATOM 427 C GLY A 32 1.411 -5.632 4.061 1.00 0.00 C ATOM 428 O GLY A 32 0.493 -6.057 4.762 1.00 0.00 O ATOM 0 H GLY A 32 3.691 -5.424 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.746 -7.491 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.132 -6.926 3.930 1.00 0.00 H new ATOM 432 N ASN A 33 1.703 -4.350 3.905 1.00 0.00 N ATOM 433 CA ASN A 33 0.931 -3.319 4.577 1.00 0.00 C ATOM 434 C ASN A 33 0.820 -2.095 3.665 1.00 0.00 C ATOM 435 O ASN A 33 1.608 -1.937 2.734 1.00 0.00 O ATOM 436 CB ASN A 33 1.609 -2.880 5.876 1.00 0.00 C ATOM 437 CG ASN A 33 1.047 -3.648 7.075 1.00 0.00 C ATOM 438 OD1 ASN A 33 -0.152 -3.730 7.284 1.00 0.00 O ATOM 439 ND2 ASN A 33 1.977 -4.203 7.845 1.00 0.00 N ATOM 0 H ASN A 33 2.464 -4.001 3.323 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.052 -3.730 4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.684 -3.047 5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.462 -1.810 6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.704 -4.737 8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.964 -4.095 7.611 1.00 0.00 H new ATOM 445 N LYS A 34 -0.164 -1.260 3.965 1.00 0.00 N ATOM 446 CA LYS A 34 -0.387 -0.055 3.185 1.00 0.00 C ATOM 447 C LYS A 34 0.768 0.920 3.417 1.00 0.00 C ATOM 448 O LYS A 34 1.079 1.738 2.552 1.00 0.00 O ATOM 449 CB LYS A 34 -1.764 0.536 3.495 1.00 0.00 C ATOM 450 CG LYS A 34 -1.703 1.453 4.719 1.00 0.00 C ATOM 451 CD LYS A 34 -1.590 0.638 6.008 1.00 0.00 C ATOM 452 CE LYS A 34 -2.792 -0.294 6.175 1.00 0.00 C ATOM 453 NZ LYS A 34 -3.338 -0.194 7.547 1.00 0.00 N ATOM 0 H LYS A 34 -0.816 -1.394 4.738 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.398 -0.287 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.126 1.097 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.477 -0.268 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.849 2.124 4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.596 2.077 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.671 0.052 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.525 1.311 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.564 -0.035 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.494 -1.322 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.051 -0.937 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.569 -0.313 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.779 0.739 7.678 1.00 0.00 H new ATOM 463 N CYS A 35 1.373 0.801 4.589 1.00 0.00 N ATOM 464 CA CYS A 35 2.488 1.662 4.947 1.00 0.00 C ATOM 465 C CYS A 35 3.645 1.372 3.990 1.00 0.00 C ATOM 466 O CYS A 35 4.265 2.294 3.461 1.00 0.00 O ATOM 467 CB CYS A 35 2.898 1.479 6.409 1.00 0.00 C ATOM 468 SG CYS A 35 2.765 2.986 7.438 1.00 0.00 S ATOM 0 H CYS A 35 1.113 0.121 5.304 1.00 0.00 H new ATOM 0 HA CYS A 35 2.190 2.706 4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.278 0.699 6.851 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.928 1.124 6.441 1.00 0.00 H new ATOM 472 N ASN A 36 3.902 0.087 3.795 1.00 0.00 N ATOM 473 CA ASN A 36 4.975 -0.336 2.910 1.00 0.00 C ATOM 474 C ASN A 36 4.622 0.044 1.470 1.00 0.00 C ATOM 475 O ASN A 36 5.499 0.407 0.687 1.00 0.00 O ATOM 476 CB ASN A 36 5.167 -1.853 2.963 1.00 0.00 C ATOM 477 CG ASN A 36 6.364 -2.223 3.842 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.245 -2.450 5.035 1.00 0.00 O ATOM 479 ND2 ASN A 36 7.522 -2.269 3.188 1.00 0.00 N ATOM 0 H ASN A 36 3.386 -0.675 4.234 1.00 0.00 H new ATOM 0 HA ASN A 36 5.892 0.156 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.265 -2.324 3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.318 -2.240 1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.380 -2.505 3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.552 -2.068 2.188 1.00 0.00 H new ATOM 485 N PHE A 37 3.336 -0.050 1.164 1.00 0.00 N ATOM 486 CA PHE A 37 2.858 0.280 -0.167 1.00 0.00 C ATOM 487 C PHE A 37 3.101 1.756 -0.487 1.00 0.00 C ATOM 488 O PHE A 37 3.676 2.083 -1.524 1.00 0.00 O ATOM 489 CB PHE A 37 1.352 0.009 -0.180 1.00 0.00 C ATOM 490 CG PHE A 37 0.633 0.550 -1.418 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.195 1.837 -1.441 1.00 0.00 C ATOM 492 CD2 PHE A 37 0.432 -0.256 -2.494 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.472 2.340 -2.590 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.235 0.246 -3.643 1.00 0.00 C ATOM 495 CZ PHE A 37 -0.673 1.533 -3.666 1.00 0.00 C ATOM 0 H PHE A 37 2.611 -0.350 1.815 1.00 0.00 H new ATOM 0 HA PHE A 37 3.386 -0.317 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.186 -1.066 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.906 0.453 0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.354 2.477 -0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.780 -1.278 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.819 3.362 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.394 -0.394 -4.498 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.181 1.915 -4.539 1.00 0.00 H new ATOM 504 N CYS A 38 2.650 2.608 0.422 1.00 0.00 N ATOM 505 CA CYS A 38 2.812 4.041 0.250 1.00 0.00 C ATOM 506 C CYS A 38 4.309 4.356 0.221 1.00 0.00 C ATOM 507 O CYS A 38 4.734 5.311 -0.426 1.00 0.00 O ATOM 508 CB CYS A 38 2.083 4.828 1.340 1.00 0.00 C ATOM 509 SG CYS A 38 2.347 6.638 1.287 1.00 0.00 S ATOM 0 H CYS A 38 2.172 2.333 1.280 1.00 0.00 H new ATOM 0 HA CYS A 38 2.359 4.350 -0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.014 4.628 1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.404 4.457 2.313 1.00 0.00 H new ATOM 513 N ASN A 39 5.067 3.535 0.934 1.00 0.00 N ATOM 514 CA ASN A 39 6.507 3.714 1.000 1.00 0.00 C ATOM 515 C ASN A 39 7.099 3.571 -0.403 1.00 0.00 C ATOM 516 O ASN A 39 7.972 4.343 -0.795 1.00 0.00 O ATOM 517 CB ASN A 39 7.153 2.656 1.897 1.00 0.00 C ATOM 518 CG ASN A 39 8.588 3.046 2.259 1.00 0.00 C ATOM 519 OD1 ASN A 39 9.508 2.934 1.465 1.00 0.00 O ATOM 520 ND2 ASN A 39 8.726 3.507 3.498 1.00 0.00 N ATOM 0 H ASN A 39 4.710 2.744 1.471 1.00 0.00 H new ATOM 0 HA ASN A 39 6.706 4.704 1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.564 2.537 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.152 1.692 1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.645 3.793 3.836 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.913 3.575 4.110 1.00 0.00 H new ATOM 526 N ALA A 40 6.600 2.576 -1.122 1.00 0.00 N ATOM 527 CA ALA A 40 7.068 2.321 -2.475 1.00 0.00 C ATOM 528 C ALA A 40 6.520 3.399 -3.411 1.00 0.00 C ATOM 529 O ALA A 40 7.182 3.788 -4.371 1.00 0.00 O ATOM 530 CB ALA A 40 6.654 0.911 -2.901 1.00 0.00 C ATOM 0 H ALA A 40 5.876 1.937 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 40 8.156 2.368 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.005 0.720 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.094 0.182 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.568 0.826 -2.871 1.00 0.00 H new ATOM 536 N VAL A 41 5.313 3.851 -3.099 1.00 0.00 N ATOM 537 CA VAL A 41 4.668 4.876 -3.902 1.00 0.00 C ATOM 538 C VAL A 41 5.580 6.102 -3.986 1.00 0.00 C ATOM 539 O VAL A 41 5.780 6.659 -5.064 1.00 0.00 O ATOM 540 CB VAL A 41 3.287 5.197 -3.326 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.755 6.519 -3.886 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.304 4.055 -3.591 1.00 0.00 C ATOM 0 H VAL A 41 4.766 3.526 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 41 4.508 4.520 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 41 3.390 5.306 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.772 6.725 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.439 7.326 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.674 6.448 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.330 4.308 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.207 3.900 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.673 3.142 -3.125 1.00 0.00 H new ATOM 552 N VAL A 42 6.110 6.486 -2.833 1.00 0.00 N ATOM 553 CA VAL A 42 6.997 7.635 -2.763 1.00 0.00 C ATOM 554 C VAL A 42 8.210 7.393 -3.663 1.00 0.00 C ATOM 555 O VAL A 42 8.722 8.323 -4.284 1.00 0.00 O ATOM 556 CB VAL A 42 7.378 7.913 -1.308 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.136 9.237 -1.184 1.00 0.00 C ATOM 558 CG2 VAL A 42 6.143 7.901 -0.405 1.00 0.00 C ATOM 0 H VAL A 42 5.942 6.022 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 42 6.494 8.529 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 42 8.042 7.114 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.395 9.411 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.047 9.192 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.507 10.052 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.442 8.101 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.443 8.669 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.662 6.924 -0.459 1.00 0.00 H new ATOM 568 N GLU A 43 8.634 6.139 -3.707 1.00 0.00 N ATOM 569 CA GLU A 43 9.778 5.763 -4.520 1.00 0.00 C ATOM 570 C GLU A 43 9.379 5.694 -5.996 1.00 0.00 C ATOM 571 O GLU A 43 10.236 5.746 -6.877 1.00 0.00 O ATOM 572 CB GLU A 43 10.373 4.435 -4.050 1.00 0.00 C ATOM 573 CG GLU A 43 11.670 4.120 -4.799 1.00 0.00 C ATOM 574 CD GLU A 43 12.841 3.967 -3.827 1.00 0.00 C ATOM 575 OE1 GLU A 43 12.820 4.553 -2.734 1.00 0.00 O ATOM 576 OE2 GLU A 43 13.798 3.207 -4.240 1.00 0.00 O ATOM 0 H GLU A 43 8.206 5.370 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 43 10.547 6.527 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.569 4.479 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.653 3.633 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.548 3.202 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.886 4.917 -5.511 1.00 0.00 H new ATOM 582 N SER A 44 8.079 5.579 -6.220 1.00 0.00 N ATOM 583 CA SER A 44 7.556 5.502 -7.574 1.00 0.00 C ATOM 584 C SER A 44 7.165 6.898 -8.063 1.00 0.00 C ATOM 585 O SER A 44 6.308 7.036 -8.935 1.00 0.00 O ATOM 586 CB SER A 44 6.355 4.557 -7.646 1.00 0.00 C ATOM 587 OG SER A 44 6.738 3.233 -8.003 1.00 0.00 O ATOM 0 H SER A 44 7.371 5.537 -5.487 1.00 0.00 H new ATOM 0 HA SER A 44 8.337 5.103 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.849 4.540 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.639 4.936 -8.375 1.00 0.00 H new ATOM 0 HG SER A 44 6.345 2.597 -7.370 1.00 0.00 H new ATOM 592 N ASN A 45 7.811 7.897 -7.481 1.00 0.00 N ATOM 593 CA ASN A 45 7.540 9.277 -7.846 1.00 0.00 C ATOM 594 C ASN A 45 6.143 9.666 -7.359 1.00 0.00 C ATOM 595 O ASN A 45 5.643 10.740 -7.689 1.00 0.00 O ATOM 596 CB ASN A 45 7.580 9.462 -9.365 1.00 0.00 C ATOM 597 CG ASN A 45 8.730 10.382 -9.776 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.898 10.051 -9.651 1.00 0.00 O ATOM 599 ND2 ASN A 45 8.338 11.551 -10.274 1.00 0.00 N ATOM 0 H ASN A 45 8.522 7.778 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 45 8.304 9.903 -7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.694 8.493 -9.850 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.634 9.881 -9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.032 12.234 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.344 11.765 -10.351 1.00 0.00 H new ATOM 605 N GLY A 46 5.554 8.772 -6.579 1.00 0.00 N ATOM 606 CA GLY A 46 4.225 9.008 -6.042 1.00 0.00 C ATOM 607 C GLY A 46 3.153 8.775 -7.109 1.00 0.00 C ATOM 608 O GLY A 46 2.009 9.201 -6.950 1.00 0.00 O ATOM 0 H GLY A 46 5.973 7.883 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.049 8.346 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.156 10.030 -5.669 1.00 0.00 H new ATOM 612 N THR A 47 3.560 8.101 -8.174 1.00 0.00 N ATOM 613 CA THR A 47 2.649 7.806 -9.267 1.00 0.00 C ATOM 614 C THR A 47 2.009 6.430 -9.072 1.00 0.00 C ATOM 615 O THR A 47 0.798 6.278 -9.228 1.00 0.00 O ATOM 616 CB THR A 47 3.427 7.934 -10.579 1.00 0.00 C ATOM 617 OG1 THR A 47 4.477 6.979 -10.453 1.00 0.00 O ATOM 618 CG2 THR A 47 4.155 9.274 -10.699 1.00 0.00 C ATOM 0 H THR A 47 4.509 7.750 -8.304 1.00 0.00 H new ATOM 0 HA THR A 47 1.821 8.514 -9.293 1.00 0.00 H new ATOM 0 HB THR A 47 2.744 7.816 -11.420 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.253 7.400 -10.027 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.691 9.313 -11.647 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.430 10.087 -10.658 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.863 9.378 -9.877 1.00 0.00 H new ATOM 626 N LEU A 48 2.850 5.465 -8.735 1.00 0.00 N ATOM 627 CA LEU A 48 2.381 4.107 -8.516 1.00 0.00 C ATOM 628 C LEU A 48 1.037 4.147 -7.786 1.00 0.00 C ATOM 629 O LEU A 48 0.813 5.009 -6.939 1.00 0.00 O ATOM 630 CB LEU A 48 3.448 3.280 -7.796 1.00 0.00 C ATOM 631 CG LEU A 48 2.988 1.933 -7.235 1.00 0.00 C ATOM 632 CD1 LEU A 48 3.801 0.784 -7.834 1.00 0.00 C ATOM 633 CD2 LEU A 48 3.035 1.931 -5.705 1.00 0.00 C ATOM 0 H LEU A 48 3.854 5.596 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 48 2.212 3.605 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.269 3.101 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.848 3.875 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 48 1.949 1.779 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.454 -0.162 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.673 0.774 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.855 0.921 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.703 0.962 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.056 2.118 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.379 2.712 -5.320 1.00 0.00 H new ATOM 644 N THR A 49 0.179 3.202 -8.140 1.00 0.00 N ATOM 645 CA THR A 49 -1.137 3.118 -7.529 1.00 0.00 C ATOM 646 C THR A 49 -1.364 1.725 -6.939 1.00 0.00 C ATOM 647 O THR A 49 -0.452 0.899 -6.920 1.00 0.00 O ATOM 648 CB THR A 49 -2.174 3.509 -8.583 1.00 0.00 C ATOM 649 OG1 THR A 49 -2.272 2.357 -9.417 1.00 0.00 O ATOM 650 CG2 THR A 49 -1.670 4.607 -9.522 1.00 0.00 C ATOM 0 H THR A 49 0.369 2.487 -8.843 1.00 0.00 H new ATOM 0 HA THR A 49 -1.229 3.809 -6.691 1.00 0.00 H new ATOM 0 HB THR A 49 -3.085 3.845 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.926 2.523 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.445 4.847 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.428 5.498 -8.943 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.778 4.259 -10.043 1.00 0.00 H new ATOM 658 N LEU A 50 -2.584 1.505 -6.474 1.00 0.00 N ATOM 659 CA LEU A 50 -2.943 0.226 -5.886 1.00 0.00 C ATOM 660 C LEU A 50 -3.791 -0.568 -6.882 1.00 0.00 C ATOM 661 O LEU A 50 -4.911 -0.172 -7.204 1.00 0.00 O ATOM 662 CB LEU A 50 -3.618 0.430 -4.528 1.00 0.00 C ATOM 663 CG LEU A 50 -4.484 -0.727 -4.029 1.00 0.00 C ATOM 664 CD1 LEU A 50 -3.697 -1.631 -3.078 1.00 0.00 C ATOM 665 CD2 LEU A 50 -5.776 -0.212 -3.392 1.00 0.00 C ATOM 0 H LEU A 50 -3.338 2.192 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.049 -0.365 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.844 0.625 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.239 1.324 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.769 -1.334 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.336 -2.446 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.832 -2.042 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.361 -1.050 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.373 -1.056 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.533 0.432 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.344 0.356 -4.129 1.00 0.00 H new ATOM 676 N SER A 51 -3.226 -1.675 -7.341 1.00 0.00 N ATOM 677 CA SER A 51 -3.916 -2.528 -8.294 1.00 0.00 C ATOM 678 C SER A 51 -5.170 -3.123 -7.650 1.00 0.00 C ATOM 679 O SER A 51 -6.247 -3.098 -8.242 1.00 0.00 O ATOM 680 CB SER A 51 -2.999 -3.642 -8.801 1.00 0.00 C ATOM 681 OG SER A 51 -3.241 -3.952 -10.170 1.00 0.00 O ATOM 0 H SER A 51 -2.298 -2.001 -7.071 1.00 0.00 H new ATOM 0 HA SER A 51 -4.209 -1.919 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.959 -3.340 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.146 -4.536 -8.195 1.00 0.00 H new ATOM 0 HG SER A 51 -2.634 -4.667 -10.456 1.00 0.00 H new ATOM 686 N HIS A 52 -4.987 -3.646 -6.446 1.00 0.00 N ATOM 687 CA HIS A 52 -6.089 -4.246 -5.716 1.00 0.00 C ATOM 688 C HIS A 52 -5.641 -4.576 -4.290 1.00 0.00 C ATOM 689 O HIS A 52 -4.467 -4.427 -3.954 1.00 0.00 O ATOM 690 CB HIS A 52 -6.635 -5.465 -6.462 1.00 0.00 C ATOM 691 CG HIS A 52 -5.618 -6.561 -6.676 1.00 0.00 C ATOM 692 ND1 HIS A 52 -4.691 -6.532 -7.704 1.00 0.00 N ATOM 693 CD2 HIS A 52 -5.391 -7.714 -5.985 1.00 0.00 C ATOM 694 CE1 HIS A 52 -3.946 -7.625 -7.625 1.00 0.00 C ATOM 695 NE2 HIS A 52 -4.382 -8.356 -6.560 1.00 0.00 N ATOM 0 H HIS A 52 -4.091 -3.666 -5.958 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.913 -3.536 -5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.479 -5.871 -5.905 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.017 -5.144 -7.431 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.939 -8.048 -5.117 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.136 -7.890 -8.288 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.996 -9.250 -6.255 1.00 0.00 H new ATOM 703 N PHE A 53 -6.601 -5.018 -3.490 1.00 0.00 N ATOM 704 CA PHE A 53 -6.320 -5.369 -2.108 1.00 0.00 C ATOM 705 C PHE A 53 -5.715 -6.770 -2.011 1.00 0.00 C ATOM 706 O PHE A 53 -5.621 -7.480 -3.011 1.00 0.00 O ATOM 707 CB PHE A 53 -7.655 -5.350 -1.362 1.00 0.00 C ATOM 708 CG PHE A 53 -7.962 -4.022 -0.666 1.00 0.00 C ATOM 709 CD1 PHE A 53 -7.035 -3.453 0.151 1.00 0.00 C ATOM 710 CD2 PHE A 53 -9.160 -3.410 -0.866 1.00 0.00 C ATOM 711 CE1 PHE A 53 -7.319 -2.220 0.796 1.00 0.00 C ATOM 712 CE2 PHE A 53 -9.444 -2.177 -0.220 1.00 0.00 C ATOM 713 CZ PHE A 53 -8.517 -1.609 0.597 1.00 0.00 C ATOM 0 H PHE A 53 -7.573 -5.141 -3.772 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.606 -4.664 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.456 -5.572 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.655 -6.147 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.083 -3.939 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.895 -3.861 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.583 -1.768 1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.396 -1.691 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.733 -0.672 1.088 1.00 0.00 H new ATOM 722 N GLY A 54 -5.320 -7.127 -0.798 1.00 0.00 N ATOM 723 CA GLY A 54 -4.727 -8.431 -0.557 1.00 0.00 C ATOM 724 C GLY A 54 -3.559 -8.687 -1.512 1.00 0.00 C ATOM 725 O GLY A 54 -3.334 -7.916 -2.443 1.00 0.00 O ATOM 0 H GLY A 54 -5.399 -6.535 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.378 -8.491 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.482 -9.207 -0.684 1.00 0.00 H new ATOM 729 N LYS A 55 -2.846 -9.772 -1.247 1.00 0.00 N ATOM 730 CA LYS A 55 -1.708 -10.140 -2.071 1.00 0.00 C ATOM 731 C LYS A 55 -2.070 -9.955 -3.547 1.00 0.00 C ATOM 732 O LYS A 55 -3.248 -9.929 -3.902 1.00 0.00 O ATOM 733 CB LYS A 55 -1.231 -11.552 -1.728 1.00 0.00 C ATOM 734 CG LYS A 55 -2.243 -12.601 -2.194 1.00 0.00 C ATOM 735 CD LYS A 55 -2.048 -13.921 -1.446 1.00 0.00 C ATOM 736 CE LYS A 55 -3.310 -14.300 -0.666 1.00 0.00 C ATOM 737 NZ LYS A 55 -3.206 -15.685 -0.155 1.00 0.00 N ATOM 0 H LYS A 55 -3.035 -10.408 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.862 -9.484 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.266 -11.738 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.082 -11.638 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.256 -12.232 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.133 -12.767 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.803 -14.712 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.205 -13.834 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.452 -13.609 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.184 -14.208 -1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.070 -15.927 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.092 -16.342 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.383 -15.761 0.476 1.00 0.00 H new ATOM 747 N CYS A 56 -1.037 -9.828 -4.366 1.00 0.00 N ATOM 748 CA CYS A 56 -1.231 -9.646 -5.794 1.00 0.00 C ATOM 749 C CYS A 56 -1.570 -11.005 -6.410 1.00 0.00 C ATOM 750 O CYS A 56 -1.114 -11.325 -7.506 1.00 0.00 O ATOM 751 CB CYS A 56 -0.007 -9.009 -6.455 1.00 0.00 C ATOM 752 SG CYS A 56 -0.371 -8.018 -7.950 1.00 0.00 S ATOM 0 H CYS A 56 -0.062 -9.848 -4.068 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.056 -8.954 -5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.491 -8.371 -5.726 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.696 -9.798 -6.721 1.00 0.00 H new TER 756 CYS A 56