USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 TYR OH : rot -2:sc= 0.123 USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0.694 USER MOD Set 1.3: A 37 GLN : amide:sc= 0.258 K(o=1.1,f=-0.58) USER MOD Single : A 1 VAL N :NH3+ 175:sc= -0.306 (180deg=-0.584) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.0459 X(o=0.046,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.69) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0754 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00706 X(o=-0.0071,f=-0.25) USER MOD Single : A 27 THR OG1 : rot -125:sc= 1.04 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0.991 (180deg=0.767) USER MOD Single : A 29 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.28) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.91! K(o=-3.9!,f=-3) USER MOD Single : A 49 TYR OH : rot -23:sc= 1.07 USER MOD Single : A 54 ASN : amide:sc= -1.46! C(o=-1.5!,f=-6.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.485 -13.552 -4.832 1.00 0.00 N ATOM 2 CA VAL A 1 -0.724 -12.390 -4.307 1.00 0.00 C ATOM 3 C VAL A 1 -0.953 -11.263 -5.326 1.00 0.00 C ATOM 4 O VAL A 1 -1.455 -11.549 -6.399 1.00 0.00 O ATOM 5 CB VAL A 1 0.807 -12.680 -4.256 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.183 -13.717 -3.231 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.301 -13.141 -5.610 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.307 -14.383 -4.233 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.502 -13.333 -4.826 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.181 -13.755 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.053 -12.149 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 1 1.279 -11.741 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.262 -13.871 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.881 -13.376 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.679 -14.656 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.372 -13.339 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.776 -14.052 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.111 -12.364 -6.350 1.00 0.00 H new ATOM 19 N ARG A 2 -0.606 -10.044 -4.997 1.00 0.00 N ATOM 20 CA ARG A 2 -0.791 -8.917 -5.966 1.00 0.00 C ATOM 21 C ARG A 2 0.212 -7.784 -5.750 1.00 0.00 C ATOM 22 O ARG A 2 0.994 -7.788 -4.818 1.00 0.00 O ATOM 23 CB ARG A 2 -2.254 -8.340 -5.865 1.00 0.00 C ATOM 24 CG ARG A 2 -2.651 -7.888 -4.442 1.00 0.00 C ATOM 25 CD ARG A 2 -3.096 -9.107 -3.606 1.00 0.00 C ATOM 26 NE ARG A 2 -4.045 -8.716 -2.506 1.00 0.00 N ATOM 27 CZ ARG A 2 -5.144 -9.394 -2.263 1.00 0.00 C ATOM 28 NH1 ARG A 2 -5.352 -10.592 -2.734 1.00 0.00 N ATOM 29 NH2 ARG A 2 -6.040 -8.845 -1.512 1.00 0.00 N ATOM 0 H ARG A 2 -0.202 -9.779 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.618 -9.331 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.348 -7.493 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.958 -9.100 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.807 -7.394 -3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.459 -7.159 -4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.576 -9.838 -4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.220 -9.591 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.829 -7.901 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.646 -11.040 -3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.221 -11.081 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.882 -7.913 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.905 -9.343 -1.303 1.00 0.00 H new ATOM 43 N ASP A 3 0.135 -6.859 -6.653 1.00 0.00 N ATOM 44 CA ASP A 3 0.997 -5.647 -6.661 1.00 0.00 C ATOM 45 C ASP A 3 -0.151 -4.646 -6.579 1.00 0.00 C ATOM 46 O ASP A 3 -1.037 -4.704 -7.419 1.00 0.00 O ATOM 47 CB ASP A 3 1.771 -5.658 -7.981 1.00 0.00 C ATOM 48 CG ASP A 3 2.639 -6.921 -7.937 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.599 -6.881 -7.188 1.00 0.00 O ATOM 50 OD2 ASP A 3 2.284 -7.854 -8.635 1.00 0.00 O ATOM 0 H ASP A 3 -0.526 -6.894 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 3 1.771 -5.492 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.092 -5.678 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.385 -4.763 -8.083 1.00 0.00 H new ATOM 55 N ALA A 4 -0.096 -3.787 -5.584 1.00 0.00 N ATOM 56 CA ALA A 4 -1.176 -2.761 -5.371 1.00 0.00 C ATOM 57 C ALA A 4 -0.923 -1.859 -4.139 1.00 0.00 C ATOM 58 O ALA A 4 0.053 -2.017 -3.421 1.00 0.00 O ATOM 59 CB ALA A 4 -2.479 -3.500 -5.171 1.00 0.00 C ATOM 0 H ALA A 4 0.661 -3.752 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.197 -2.109 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.284 -2.782 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.696 -4.101 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.398 -4.151 -4.301 1.00 0.00 H new ATOM 65 N TYR A 5 -1.863 -0.949 -3.939 1.00 0.00 N ATOM 66 CA TYR A 5 -1.824 0.027 -2.785 1.00 0.00 C ATOM 67 C TYR A 5 -2.312 -0.822 -1.617 1.00 0.00 C ATOM 68 O TYR A 5 -3.466 -1.216 -1.630 1.00 0.00 O ATOM 69 CB TYR A 5 -2.844 1.194 -3.049 1.00 0.00 C ATOM 70 CG TYR A 5 -2.173 2.481 -3.589 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.114 2.395 -4.465 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.606 3.746 -3.216 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.500 3.530 -4.963 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.985 4.877 -3.716 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.932 4.777 -4.590 1.00 0.00 C ATOM 76 OH TYR A 5 -0.327 5.919 -5.077 1.00 0.00 O ATOM 0 H TYR A 5 -2.677 -0.840 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.846 0.480 -2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.595 0.857 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.368 1.427 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.756 1.423 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.434 3.848 -2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.327 3.433 -5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.334 5.853 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 5 0.422 5.670 -5.657 1.00 0.00 H new ATOM 86 N ILE A 6 -1.489 -1.067 -0.635 1.00 0.00 N ATOM 87 CA ILE A 6 -2.026 -1.919 0.475 1.00 0.00 C ATOM 88 C ILE A 6 -3.025 -1.135 1.316 1.00 0.00 C ATOM 89 O ILE A 6 -2.856 0.043 1.581 1.00 0.00 O ATOM 90 CB ILE A 6 -0.846 -2.424 1.323 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.328 -3.180 2.560 1.00 0.00 C ATOM 92 CG2 ILE A 6 0.111 -1.350 1.753 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.664 -4.529 2.570 1.00 0.00 C ATOM 0 H ILE A 6 -0.527 -0.741 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.559 -2.776 0.063 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.302 -3.094 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.079 -2.626 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.412 -3.289 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.912 -1.792 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.535 -0.867 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.418 -0.610 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.992 -5.090 3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.936 -5.075 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.418 -4.402 2.605 1.00 0.00 H new ATOM 105 N ALA A 7 -4.042 -1.845 1.737 1.00 0.00 N ATOM 106 CA ALA A 7 -5.099 -1.174 2.564 1.00 0.00 C ATOM 107 C ALA A 7 -4.807 -1.134 4.066 1.00 0.00 C ATOM 108 O ALA A 7 -3.804 -1.644 4.528 1.00 0.00 O ATOM 109 CB ALA A 7 -6.419 -1.880 2.384 1.00 0.00 C ATOM 0 H ALA A 7 -4.188 -2.837 1.551 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.122 -0.145 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.181 -1.387 2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.710 -1.846 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.322 -2.919 2.700 1.00 0.00 H new ATOM 115 N LYS A 8 -5.706 -0.519 4.791 1.00 0.00 N ATOM 116 CA LYS A 8 -5.557 -0.404 6.263 1.00 0.00 C ATOM 117 C LYS A 8 -6.795 -1.012 6.943 1.00 0.00 C ATOM 118 O LYS A 8 -6.734 -2.062 7.550 1.00 0.00 O ATOM 119 CB LYS A 8 -5.423 1.058 6.608 1.00 0.00 C ATOM 120 CG LYS A 8 -4.426 1.235 7.768 1.00 0.00 C ATOM 121 CD LYS A 8 -4.865 2.414 8.651 1.00 0.00 C ATOM 122 CE LYS A 8 -4.741 3.749 7.871 1.00 0.00 C ATOM 123 NZ LYS A 8 -5.416 4.838 8.642 1.00 0.00 N ATOM 0 H LYS A 8 -6.549 -0.086 4.414 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.674 -0.941 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.082 1.616 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.395 1.465 6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.377 0.322 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.425 1.414 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.895 2.270 8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.250 2.452 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.691 3.996 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.195 3.651 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.334 5.734 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.421 4.602 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.963 4.936 9.573 1.00 0.00 H new ATOM 137 N ASN A 9 -7.894 -0.309 6.820 1.00 0.00 N ATOM 138 CA ASN A 9 -9.183 -0.773 7.428 1.00 0.00 C ATOM 139 C ASN A 9 -10.381 -0.636 6.461 1.00 0.00 C ATOM 140 O ASN A 9 -11.183 -1.542 6.407 1.00 0.00 O ATOM 141 CB ASN A 9 -9.440 0.040 8.712 1.00 0.00 C ATOM 142 CG ASN A 9 -10.015 -0.883 9.797 1.00 0.00 C ATOM 143 OD1 ASN A 9 -9.616 -0.810 10.941 1.00 0.00 O ATOM 144 ND2 ASN A 9 -10.938 -1.757 9.508 1.00 0.00 N ATOM 0 H ASN A 9 -7.955 0.577 6.319 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.089 -1.835 7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.512 0.493 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.135 0.854 8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.312 -2.364 10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.286 -1.834 8.552 1.00 0.00 H new ATOM 151 N TYR A 10 -10.495 0.471 5.752 1.00 0.00 N ATOM 152 CA TYR A 10 -11.629 0.693 4.780 1.00 0.00 C ATOM 153 C TYR A 10 -11.158 1.295 3.427 1.00 0.00 C ATOM 154 O TYR A 10 -11.539 2.374 2.995 1.00 0.00 O ATOM 155 CB TYR A 10 -12.677 1.633 5.422 1.00 0.00 C ATOM 156 CG TYR A 10 -13.897 0.824 5.893 1.00 0.00 C ATOM 157 CD1 TYR A 10 -14.910 0.511 5.003 1.00 0.00 C ATOM 158 CD2 TYR A 10 -14.004 0.398 7.201 1.00 0.00 C ATOM 159 CE1 TYR A 10 -16.006 -0.214 5.414 1.00 0.00 C ATOM 160 CE2 TYR A 10 -15.103 -0.326 7.610 1.00 0.00 C ATOM 161 CZ TYR A 10 -16.106 -0.634 6.719 1.00 0.00 C ATOM 162 OH TYR A 10 -17.207 -1.357 7.124 1.00 0.00 O ATOM 0 H TYR A 10 -9.836 1.247 5.807 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.063 -0.283 4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.234 2.161 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.989 2.389 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.840 0.839 3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -13.222 0.633 7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.789 -0.453 4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -15.178 -0.654 8.636 1.00 0.00 H new ATOM 0 HH TYR A 10 -17.122 -1.577 8.075 1.00 0.00 H new ATOM 172 N ASN A 11 -10.320 0.536 2.780 1.00 0.00 N ATOM 173 CA ASN A 11 -9.732 0.920 1.458 1.00 0.00 C ATOM 174 C ASN A 11 -8.933 2.235 1.518 1.00 0.00 C ATOM 175 O ASN A 11 -9.072 3.128 0.708 1.00 0.00 O ATOM 176 CB ASN A 11 -10.904 0.984 0.400 1.00 0.00 C ATOM 177 CG ASN A 11 -10.642 -0.065 -0.705 1.00 0.00 C ATOM 178 OD1 ASN A 11 -10.323 -1.204 -0.445 1.00 0.00 O ATOM 179 ND2 ASN A 11 -10.762 0.264 -1.954 1.00 0.00 N ATOM 0 H ASN A 11 -10.004 -0.371 3.124 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.004 0.166 1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.860 0.789 0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.965 1.982 -0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.589 -0.428 -2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.029 1.215 -2.207 1.00 0.00 H new ATOM 186 N CYS A 12 -8.095 2.260 2.528 1.00 0.00 N ATOM 187 CA CYS A 12 -7.186 3.402 2.833 1.00 0.00 C ATOM 188 C CYS A 12 -5.791 2.769 2.863 1.00 0.00 C ATOM 189 O CYS A 12 -5.716 1.591 3.140 1.00 0.00 O ATOM 190 CB CYS A 12 -7.584 3.942 4.175 1.00 0.00 C ATOM 191 SG CYS A 12 -9.312 4.460 4.231 1.00 0.00 S ATOM 0 H CYS A 12 -8.004 1.487 3.187 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.222 4.225 2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.413 3.179 4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.946 4.790 4.425 1.00 0.00 H new ATOM 196 N VAL A 13 -4.768 3.546 2.618 1.00 0.00 N ATOM 197 CA VAL A 13 -3.352 3.050 2.594 1.00 0.00 C ATOM 198 C VAL A 13 -2.497 3.695 3.678 1.00 0.00 C ATOM 199 O VAL A 13 -2.976 4.502 4.448 1.00 0.00 O ATOM 200 CB VAL A 13 -2.725 3.372 1.207 1.00 0.00 C ATOM 201 CG1 VAL A 13 -3.380 2.640 0.064 1.00 0.00 C ATOM 202 CG2 VAL A 13 -2.922 4.842 0.917 1.00 0.00 C ATOM 0 H VAL A 13 -4.857 4.544 2.426 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.375 1.976 2.778 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.680 3.070 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.891 2.913 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.289 1.565 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.435 2.911 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.487 5.083 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.988 5.071 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.433 5.434 1.691 1.00 0.00 H new ATOM 212 N TYR A 14 -1.244 3.331 3.680 1.00 0.00 N ATOM 213 CA TYR A 14 -0.276 3.858 4.655 1.00 0.00 C ATOM 214 C TYR A 14 0.574 4.989 4.036 1.00 0.00 C ATOM 215 O TYR A 14 1.630 4.725 3.490 1.00 0.00 O ATOM 216 CB TYR A 14 0.627 2.710 5.091 1.00 0.00 C ATOM 217 CG TYR A 14 -0.090 1.728 6.031 1.00 0.00 C ATOM 218 CD1 TYR A 14 -0.127 1.937 7.402 1.00 0.00 C ATOM 219 CD2 TYR A 14 -0.713 0.613 5.507 1.00 0.00 C ATOM 220 CE1 TYR A 14 -0.779 1.038 8.228 1.00 0.00 C ATOM 221 CE2 TYR A 14 -1.359 -0.277 6.333 1.00 0.00 C ATOM 222 CZ TYR A 14 -1.398 -0.077 7.691 1.00 0.00 C ATOM 223 OH TYR A 14 -2.057 -0.998 8.481 1.00 0.00 O ATOM 0 H TYR A 14 -0.848 2.665 3.017 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.809 4.275 5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.980 2.174 4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.507 3.113 5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.355 2.805 7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.693 0.438 4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.805 1.207 9.294 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.842 -1.145 5.908 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.426 -1.709 7.916 1.00 0.00 H new ATOM 233 N GLU A 15 0.087 6.201 4.109 1.00 0.00 N ATOM 234 CA GLU A 15 0.853 7.365 3.548 1.00 0.00 C ATOM 235 C GLU A 15 2.264 7.432 4.208 1.00 0.00 C ATOM 236 O GLU A 15 2.455 8.172 5.153 1.00 0.00 O ATOM 237 CB GLU A 15 0.029 8.660 3.836 1.00 0.00 C ATOM 238 CG GLU A 15 -0.912 8.965 2.633 1.00 0.00 C ATOM 239 CD GLU A 15 -2.345 9.454 2.986 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.695 9.384 4.152 1.00 0.00 O ATOM 241 OE2 GLU A 15 -3.036 9.876 2.068 1.00 0.00 O ATOM 0 H GLU A 15 -0.810 6.440 4.533 1.00 0.00 H new ATOM 0 HA GLU A 15 0.998 7.258 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.558 8.534 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.702 9.500 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.436 9.722 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.998 8.062 2.028 1.00 0.00 H new ATOM 248 N CYS A 16 3.199 6.673 3.703 1.00 0.00 N ATOM 249 CA CYS A 16 4.597 6.642 4.246 1.00 0.00 C ATOM 250 C CYS A 16 5.553 7.399 3.335 1.00 0.00 C ATOM 251 O CYS A 16 5.364 7.467 2.135 1.00 0.00 O ATOM 252 CB CYS A 16 5.064 5.171 4.368 1.00 0.00 C ATOM 253 SG CYS A 16 6.082 4.434 3.060 1.00 0.00 S ATOM 0 H CYS A 16 3.050 6.050 2.909 1.00 0.00 H new ATOM 0 HA CYS A 16 4.599 7.122 5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.621 5.084 5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.171 4.554 4.471 1.00 0.00 H new ATOM 258 N PHE A 17 6.580 7.947 3.936 1.00 0.00 N ATOM 259 CA PHE A 17 7.584 8.711 3.130 1.00 0.00 C ATOM 260 C PHE A 17 8.943 8.018 3.203 1.00 0.00 C ATOM 261 O PHE A 17 9.952 8.589 2.836 1.00 0.00 O ATOM 262 CB PHE A 17 7.757 10.145 3.657 1.00 0.00 C ATOM 263 CG PHE A 17 6.474 10.989 3.606 1.00 0.00 C ATOM 264 CD1 PHE A 17 5.571 10.951 4.651 1.00 0.00 C ATOM 265 CD2 PHE A 17 6.205 11.807 2.518 1.00 0.00 C ATOM 266 CE1 PHE A 17 4.423 11.715 4.615 1.00 0.00 C ATOM 267 CE2 PHE A 17 5.055 12.572 2.482 1.00 0.00 C ATOM 268 CZ PHE A 17 4.164 12.526 3.531 1.00 0.00 C ATOM 0 H PHE A 17 6.766 7.900 4.938 1.00 0.00 H new ATOM 0 HA PHE A 17 7.218 8.746 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.111 10.102 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.531 10.644 3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.766 10.317 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.900 11.846 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.725 11.678 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.855 13.206 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.265 13.124 3.504 1.00 0.00 H new ATOM 278 N ARG A 18 8.966 6.802 3.686 1.00 0.00 N ATOM 279 CA ARG A 18 10.280 6.088 3.765 1.00 0.00 C ATOM 280 C ARG A 18 10.111 4.725 3.143 1.00 0.00 C ATOM 281 O ARG A 18 9.738 3.793 3.825 1.00 0.00 O ATOM 282 CB ARG A 18 10.785 5.852 5.223 1.00 0.00 C ATOM 283 CG ARG A 18 10.917 7.145 6.009 1.00 0.00 C ATOM 284 CD ARG A 18 12.008 8.079 5.393 1.00 0.00 C ATOM 285 NE ARG A 18 13.031 8.463 6.444 1.00 0.00 N ATOM 286 CZ ARG A 18 14.309 8.573 6.170 1.00 0.00 C ATOM 287 NH1 ARG A 18 14.672 8.822 4.944 1.00 0.00 N ATOM 288 NH2 ARG A 18 15.182 8.435 7.130 1.00 0.00 N ATOM 0 H ARG A 18 8.155 6.282 4.022 1.00 0.00 H new ATOM 0 HA ARG A 18 11.007 6.719 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.095 5.185 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.751 5.349 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.958 7.663 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.172 6.919 7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.502 7.573 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.541 8.976 4.987 1.00 0.00 H new ATOM 0 HE ARG A 18 12.715 8.642 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.967 8.928 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.662 8.911 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.868 8.244 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.179 8.518 6.929 1.00 0.00 H new ATOM 302 N ASP A 19 10.368 4.652 1.869 1.00 0.00 N ATOM 303 CA ASP A 19 10.270 3.383 1.081 1.00 0.00 C ATOM 304 C ASP A 19 10.535 2.155 1.970 1.00 0.00 C ATOM 305 O ASP A 19 9.816 1.177 1.961 1.00 0.00 O ATOM 306 CB ASP A 19 11.288 3.495 -0.048 1.00 0.00 C ATOM 307 CG ASP A 19 10.652 3.176 -1.408 1.00 0.00 C ATOM 308 OD1 ASP A 19 9.589 3.713 -1.671 1.00 0.00 O ATOM 309 OD2 ASP A 19 11.276 2.407 -2.117 1.00 0.00 O ATOM 0 H ASP A 19 10.656 5.457 1.312 1.00 0.00 H new ATOM 0 HA ASP A 19 9.266 3.246 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.704 4.502 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.116 2.811 0.138 1.00 0.00 H new ATOM 314 N SER A 20 11.606 2.269 2.726 1.00 0.00 N ATOM 315 CA SER A 20 12.066 1.212 3.671 1.00 0.00 C ATOM 316 C SER A 20 10.871 0.733 4.491 1.00 0.00 C ATOM 317 O SER A 20 10.544 -0.432 4.549 1.00 0.00 O ATOM 318 CB SER A 20 13.148 1.824 4.594 1.00 0.00 C ATOM 319 OG SER A 20 13.968 2.601 3.719 1.00 0.00 O ATOM 0 H SER A 20 12.203 3.096 2.720 1.00 0.00 H new ATOM 0 HA SER A 20 12.488 0.362 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.702 2.442 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.727 1.048 5.095 1.00 0.00 H new ATOM 0 HG SER A 20 14.684 3.027 4.235 1.00 0.00 H new ATOM 325 N TYR A 21 10.256 1.708 5.101 1.00 0.00 N ATOM 326 CA TYR A 21 9.066 1.484 5.956 1.00 0.00 C ATOM 327 C TYR A 21 8.152 0.525 5.233 1.00 0.00 C ATOM 328 O TYR A 21 7.622 -0.390 5.818 1.00 0.00 O ATOM 329 CB TYR A 21 8.304 2.786 6.183 1.00 0.00 C ATOM 330 CG TYR A 21 7.604 2.637 7.525 1.00 0.00 C ATOM 331 CD1 TYR A 21 8.275 2.982 8.676 1.00 0.00 C ATOM 332 CD2 TYR A 21 6.322 2.140 7.599 1.00 0.00 C ATOM 333 CE1 TYR A 21 7.667 2.829 9.898 1.00 0.00 C ATOM 334 CE2 TYR A 21 5.717 1.988 8.819 1.00 0.00 C ATOM 335 CZ TYR A 21 6.383 2.331 9.969 1.00 0.00 C ATOM 336 OH TYR A 21 5.745 2.170 11.176 1.00 0.00 O ATOM 0 H TYR A 21 10.544 2.684 5.036 1.00 0.00 H new ATOM 0 HA TYR A 21 9.388 1.091 6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.983 3.639 6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.583 2.960 5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.280 3.373 8.618 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.794 1.870 6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.194 3.098 10.802 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.712 1.597 8.876 1.00 0.00 H new ATOM 0 HH TYR A 21 4.847 1.808 11.026 1.00 0.00 H new ATOM 346 N CYS A 22 8.012 0.769 3.961 1.00 0.00 N ATOM 347 CA CYS A 22 7.130 -0.117 3.164 1.00 0.00 C ATOM 348 C CYS A 22 7.790 -1.480 3.087 1.00 0.00 C ATOM 349 O CYS A 22 7.164 -2.472 3.400 1.00 0.00 O ATOM 350 CB CYS A 22 6.936 0.433 1.777 1.00 0.00 C ATOM 351 SG CYS A 22 5.307 -0.042 1.180 1.00 0.00 S ATOM 0 H CYS A 22 8.461 1.528 3.449 1.00 0.00 H new ATOM 0 HA CYS A 22 6.150 -0.187 3.637 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.032 1.519 1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.708 0.051 1.109 1.00 0.00 H new ATOM 356 N ASN A 23 9.028 -1.473 2.655 1.00 0.00 N ATOM 357 CA ASN A 23 9.862 -2.718 2.521 1.00 0.00 C ATOM 358 C ASN A 23 9.661 -3.576 3.768 1.00 0.00 C ATOM 359 O ASN A 23 9.695 -4.785 3.714 1.00 0.00 O ATOM 360 CB ASN A 23 11.366 -2.360 2.388 1.00 0.00 C ATOM 361 CG ASN A 23 12.165 -3.656 2.284 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.571 -4.265 3.252 1.00 0.00 O ATOM 363 ND2 ASN A 23 12.417 -4.144 1.121 1.00 0.00 N ATOM 0 H ASN A 23 9.517 -0.622 2.378 1.00 0.00 H new ATOM 0 HA ASN A 23 9.553 -3.259 1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.531 -1.741 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.695 -1.780 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.942 -5.015 1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.092 -3.661 0.284 1.00 0.00 H new ATOM 370 N ASP A 24 9.459 -2.925 4.879 1.00 0.00 N ATOM 371 CA ASP A 24 9.237 -3.632 6.173 1.00 0.00 C ATOM 372 C ASP A 24 7.735 -3.991 6.263 1.00 0.00 C ATOM 373 O ASP A 24 7.315 -5.124 6.400 1.00 0.00 O ATOM 374 CB ASP A 24 9.643 -2.682 7.291 1.00 0.00 C ATOM 375 CG ASP A 24 10.602 -3.388 8.241 1.00 0.00 C ATOM 376 OD1 ASP A 24 11.732 -3.577 7.825 1.00 0.00 O ATOM 377 OD2 ASP A 24 10.142 -3.696 9.329 1.00 0.00 O ATOM 0 H ASP A 24 9.438 -1.907 4.946 1.00 0.00 H new ATOM 0 HA ASP A 24 9.824 -4.547 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.118 -1.794 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.760 -2.345 7.834 1.00 0.00 H new ATOM 382 N LEU A 25 6.936 -2.973 6.180 1.00 0.00 N ATOM 383 CA LEU A 25 5.444 -3.075 6.237 1.00 0.00 C ATOM 384 C LEU A 25 4.826 -4.199 5.408 1.00 0.00 C ATOM 385 O LEU A 25 4.119 -5.057 5.890 1.00 0.00 O ATOM 386 CB LEU A 25 4.876 -1.722 5.760 1.00 0.00 C ATOM 387 CG LEU A 25 3.330 -1.708 5.662 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.751 -1.668 7.050 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.873 -0.491 4.899 1.00 0.00 C ATOM 0 H LEU A 25 7.271 -2.016 6.068 1.00 0.00 H new ATOM 0 HA LEU A 25 5.184 -3.317 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.197 -0.939 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.297 -1.483 4.784 1.00 0.00 H new ATOM 0 HG LEU A 25 2.993 -2.604 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.663 -1.658 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.076 -2.548 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.095 -0.769 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.785 -0.489 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.208 0.409 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.296 -0.511 3.894 1.00 0.00 H new ATOM 401 N CYS A 26 5.124 -4.143 4.147 1.00 0.00 N ATOM 402 CA CYS A 26 4.613 -5.135 3.160 1.00 0.00 C ATOM 403 C CYS A 26 5.085 -6.550 3.405 1.00 0.00 C ATOM 404 O CYS A 26 4.320 -7.501 3.481 1.00 0.00 O ATOM 405 CB CYS A 26 5.048 -4.654 1.777 1.00 0.00 C ATOM 406 SG CYS A 26 4.226 -3.157 1.196 1.00 0.00 S ATOM 0 H CYS A 26 5.723 -3.424 3.741 1.00 0.00 H new ATOM 0 HA CYS A 26 3.528 -5.187 3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.123 -4.477 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.866 -5.452 1.058 1.00 0.00 H new ATOM 411 N THR A 27 6.370 -6.669 3.539 1.00 0.00 N ATOM 412 CA THR A 27 6.958 -8.010 3.770 1.00 0.00 C ATOM 413 C THR A 27 6.271 -8.531 5.035 1.00 0.00 C ATOM 414 O THR A 27 5.899 -9.689 5.074 1.00 0.00 O ATOM 415 CB THR A 27 8.472 -7.793 3.868 1.00 0.00 C ATOM 416 OG1 THR A 27 8.678 -6.914 4.961 1.00 0.00 O ATOM 417 CG2 THR A 27 8.938 -7.120 2.593 1.00 0.00 C ATOM 0 H THR A 27 7.037 -5.899 3.499 1.00 0.00 H new ATOM 0 HA THR A 27 6.807 -8.758 2.992 1.00 0.00 H new ATOM 0 HB THR A 27 9.014 -8.729 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.188 -6.133 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.014 -6.956 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.706 -7.757 1.740 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.429 -6.163 2.480 1.00 0.00 H new ATOM 425 N LYS A 28 6.113 -7.673 6.024 1.00 0.00 N ATOM 426 CA LYS A 28 5.437 -8.085 7.297 1.00 0.00 C ATOM 427 C LYS A 28 4.097 -8.824 7.024 1.00 0.00 C ATOM 428 O LYS A 28 3.655 -9.610 7.842 1.00 0.00 O ATOM 429 CB LYS A 28 5.180 -6.834 8.184 1.00 0.00 C ATOM 430 CG LYS A 28 4.566 -7.266 9.563 1.00 0.00 C ATOM 431 CD LYS A 28 3.097 -6.758 9.724 1.00 0.00 C ATOM 432 CE LYS A 28 2.239 -7.843 10.409 1.00 0.00 C ATOM 433 NZ LYS A 28 1.866 -8.885 9.396 1.00 0.00 N ATOM 0 H LYS A 28 6.426 -6.702 6.000 1.00 0.00 H new ATOM 0 HA LYS A 28 6.098 -8.778 7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.114 -6.295 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.502 -6.150 7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.587 -8.353 9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.179 -6.872 10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.082 -5.843 10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.678 -6.513 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.793 -8.298 11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.342 -7.397 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.390 -9.678 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.225 -8.469 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.724 -9.231 8.922 1.00 0.00 H new ATOM 447 N ASN A 29 3.451 -8.575 5.910 1.00 0.00 N ATOM 448 CA ASN A 29 2.144 -9.281 5.616 1.00 0.00 C ATOM 449 C ASN A 29 2.406 -10.540 4.768 1.00 0.00 C ATOM 450 O ASN A 29 1.569 -11.414 4.631 1.00 0.00 O ATOM 451 CB ASN A 29 1.205 -8.321 4.843 1.00 0.00 C ATOM 452 CG ASN A 29 -0.104 -8.232 5.618 1.00 0.00 C ATOM 453 OD1 ASN A 29 -0.752 -9.219 5.898 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.546 -7.069 5.992 1.00 0.00 N ATOM 0 H ASN A 29 3.761 -7.921 5.192 1.00 0.00 H new ATOM 0 HA ASN A 29 1.675 -9.576 6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.660 -7.335 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.027 -8.690 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.422 -6.999 6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.017 -6.226 5.767 1.00 0.00 H new ATOM 461 N GLY A 30 3.591 -10.566 4.230 1.00 0.00 N ATOM 462 CA GLY A 30 4.067 -11.691 3.371 1.00 0.00 C ATOM 463 C GLY A 30 4.361 -11.208 1.953 1.00 0.00 C ATOM 464 O GLY A 30 4.421 -12.015 1.042 1.00 0.00 O ATOM 0 H GLY A 30 4.279 -9.823 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.966 -12.129 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.312 -12.477 3.343 1.00 0.00 H new ATOM 468 N ALA A 31 4.523 -9.915 1.785 1.00 0.00 N ATOM 469 CA ALA A 31 4.819 -9.401 0.410 1.00 0.00 C ATOM 470 C ALA A 31 6.224 -9.885 0.084 1.00 0.00 C ATOM 471 O ALA A 31 6.940 -10.333 0.962 1.00 0.00 O ATOM 472 CB ALA A 31 4.836 -7.894 0.375 1.00 0.00 C ATOM 0 H ALA A 31 4.465 -9.210 2.520 1.00 0.00 H new ATOM 0 HA ALA A 31 4.060 -9.749 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.054 -7.556 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.863 -7.512 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.604 -7.523 1.054 1.00 0.00 H new ATOM 478 N SER A 32 6.587 -9.761 -1.157 1.00 0.00 N ATOM 479 CA SER A 32 7.946 -10.212 -1.565 1.00 0.00 C ATOM 480 C SER A 32 8.805 -8.942 -1.592 1.00 0.00 C ATOM 481 O SER A 32 9.969 -8.981 -1.250 1.00 0.00 O ATOM 482 CB SER A 32 7.825 -10.885 -2.937 1.00 0.00 C ATOM 483 OG SER A 32 8.783 -11.937 -2.911 1.00 0.00 O ATOM 0 H SER A 32 6.010 -9.371 -1.902 1.00 0.00 H new ATOM 0 HA SER A 32 8.400 -10.940 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.819 -11.270 -3.101 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.032 -10.181 -3.743 1.00 0.00 H new ATOM 0 HG SER A 32 8.763 -12.419 -3.764 1.00 0.00 H new ATOM 489 N SER A 33 8.217 -7.844 -1.994 1.00 0.00 N ATOM 490 CA SER A 33 8.987 -6.555 -2.041 1.00 0.00 C ATOM 491 C SER A 33 8.045 -5.484 -1.477 1.00 0.00 C ATOM 492 O SER A 33 6.848 -5.690 -1.545 1.00 0.00 O ATOM 493 CB SER A 33 9.366 -6.270 -3.519 1.00 0.00 C ATOM 494 OG SER A 33 10.780 -6.139 -3.520 1.00 0.00 O ATOM 0 H SER A 33 7.243 -7.780 -2.291 1.00 0.00 H new ATOM 0 HA SER A 33 9.910 -6.580 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.045 -7.082 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.886 -5.361 -3.881 1.00 0.00 H new ATOM 0 HG SER A 33 11.091 -5.958 -4.431 1.00 0.00 H new ATOM 500 N GLY A 34 8.543 -4.398 -0.943 1.00 0.00 N ATOM 501 CA GLY A 34 7.638 -3.335 -0.390 1.00 0.00 C ATOM 502 C GLY A 34 8.231 -1.948 -0.625 1.00 0.00 C ATOM 503 O GLY A 34 9.372 -1.745 -0.251 1.00 0.00 O ATOM 0 H GLY A 34 9.540 -4.198 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.658 -3.402 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.489 -3.496 0.678 1.00 0.00 H new ATOM 507 N TYR A 35 7.501 -1.044 -1.233 1.00 0.00 N ATOM 508 CA TYR A 35 8.072 0.324 -1.453 1.00 0.00 C ATOM 509 C TYR A 35 6.889 1.256 -1.342 1.00 0.00 C ATOM 510 O TYR A 35 5.762 0.798 -1.447 1.00 0.00 O ATOM 511 CB TYR A 35 8.758 0.387 -2.845 1.00 0.00 C ATOM 512 CG TYR A 35 8.079 1.169 -3.973 1.00 0.00 C ATOM 513 CD1 TYR A 35 6.866 0.779 -4.493 1.00 0.00 C ATOM 514 CD2 TYR A 35 8.717 2.279 -4.495 1.00 0.00 C ATOM 515 CE1 TYR A 35 6.300 1.493 -5.526 1.00 0.00 C ATOM 516 CE2 TYR A 35 8.148 2.988 -5.530 1.00 0.00 C ATOM 517 CZ TYR A 35 6.938 2.598 -6.050 1.00 0.00 C ATOM 518 OH TYR A 35 6.385 3.311 -7.094 1.00 0.00 O ATOM 0 H TYR A 35 6.553 -1.188 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 35 8.843 0.596 -0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.752 0.811 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.895 -0.638 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.359 -0.086 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.667 2.592 -4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.347 1.185 -5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.654 3.852 -5.933 1.00 0.00 H new ATOM 0 HH TYR A 35 6.975 4.057 -7.329 1.00 0.00 H new ATOM 528 N CYS A 36 7.102 2.526 -1.157 1.00 0.00 N ATOM 529 CA CYS A 36 5.909 3.381 -1.050 1.00 0.00 C ATOM 530 C CYS A 36 5.702 3.881 -2.482 1.00 0.00 C ATOM 531 O CYS A 36 6.588 3.935 -3.309 1.00 0.00 O ATOM 532 CB CYS A 36 6.172 4.553 -0.035 1.00 0.00 C ATOM 533 SG CYS A 36 5.010 4.602 1.357 1.00 0.00 S ATOM 0 H CYS A 36 8.009 2.987 -1.079 1.00 0.00 H new ATOM 0 HA CYS A 36 5.026 2.867 -0.670 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.186 4.461 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.121 5.501 -0.570 1.00 0.00 H new ATOM 538 N GLN A 37 4.491 4.249 -2.718 1.00 0.00 N ATOM 539 CA GLN A 37 4.030 4.759 -4.013 1.00 0.00 C ATOM 540 C GLN A 37 3.415 6.117 -3.681 1.00 0.00 C ATOM 541 O GLN A 37 3.119 6.418 -2.537 1.00 0.00 O ATOM 542 CB GLN A 37 3.016 3.740 -4.531 1.00 0.00 C ATOM 543 CG GLN A 37 3.277 3.352 -5.997 1.00 0.00 C ATOM 544 CD GLN A 37 3.165 4.592 -6.847 1.00 0.00 C ATOM 545 OE1 GLN A 37 2.113 5.170 -6.986 1.00 0.00 O ATOM 546 NE2 GLN A 37 4.240 5.024 -7.419 1.00 0.00 N ATOM 0 H GLN A 37 3.755 4.212 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 37 4.791 4.886 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.052 2.846 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.011 4.152 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.268 2.910 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.557 2.602 -6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.121 4.525 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.208 5.864 -7.997 1.00 0.00 H new ATOM 555 N TRP A 38 3.231 6.889 -4.705 1.00 0.00 N ATOM 556 CA TRP A 38 2.650 8.244 -4.544 1.00 0.00 C ATOM 557 C TRP A 38 2.074 8.588 -5.896 1.00 0.00 C ATOM 558 O TRP A 38 2.786 8.525 -6.878 1.00 0.00 O ATOM 559 CB TRP A 38 3.783 9.268 -4.116 1.00 0.00 C ATOM 560 CG TRP A 38 5.166 8.706 -4.457 1.00 0.00 C ATOM 561 CD1 TRP A 38 5.521 8.154 -5.649 1.00 0.00 C ATOM 562 CD2 TRP A 38 6.247 8.646 -3.616 1.00 0.00 C ATOM 563 NE1 TRP A 38 6.767 7.785 -5.475 1.00 0.00 N ATOM 564 CE2 TRP A 38 7.296 8.033 -4.296 1.00 0.00 C ATOM 565 CE3 TRP A 38 6.441 9.061 -2.300 1.00 0.00 C ATOM 566 CZ2 TRP A 38 8.530 7.834 -3.672 1.00 0.00 C ATOM 567 CZ3 TRP A 38 7.668 8.871 -1.672 1.00 0.00 C ATOM 568 CH2 TRP A 38 8.716 8.256 -2.355 1.00 0.00 C ATOM 0 H TRP A 38 3.462 6.635 -5.665 1.00 0.00 H new ATOM 0 HA TRP A 38 1.885 8.286 -3.769 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.634 10.219 -4.626 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.718 9.467 -3.046 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.915 8.045 -6.536 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.299 7.329 -6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.632 9.534 -1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.337 7.355 -4.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.809 9.201 -0.653 1.00 0.00 H new ATOM 0 HH2 TRP A 38 9.668 8.107 -1.867 1.00 0.00 H new ATOM 579 N ALA A 39 0.818 8.934 -5.923 1.00 0.00 N ATOM 580 CA ALA A 39 0.173 9.290 -7.204 1.00 0.00 C ATOM 581 C ALA A 39 -0.582 10.608 -7.068 1.00 0.00 C ATOM 582 O ALA A 39 -0.087 11.644 -7.461 1.00 0.00 O ATOM 583 CB ALA A 39 -0.746 8.156 -7.600 1.00 0.00 C ATOM 0 H ALA A 39 0.212 8.984 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 39 0.921 9.432 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.234 8.396 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.166 7.240 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.501 8.013 -6.827 1.00 0.00 H new ATOM 646 N ASN A 44 -0.349 9.416 -1.086 1.00 0.00 N ATOM 647 CA ASN A 44 0.869 8.560 -0.986 1.00 0.00 C ATOM 648 C ASN A 44 0.333 7.249 -0.500 1.00 0.00 C ATOM 649 O ASN A 44 -0.764 7.174 0.021 1.00 0.00 O ATOM 650 CB ASN A 44 1.845 9.088 0.060 1.00 0.00 C ATOM 651 CG ASN A 44 3.110 8.219 0.136 1.00 0.00 C ATOM 652 OD1 ASN A 44 4.132 8.622 -0.376 1.00 0.00 O ATOM 653 ND2 ASN A 44 3.107 7.057 0.733 1.00 0.00 N ATOM 0 HA ASN A 44 1.406 8.515 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.121 10.114 -0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.358 9.111 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.960 6.498 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.252 6.709 1.167 1.00 0.00 H new ATOM 660 N ALA A 45 1.095 6.224 -0.659 1.00 0.00 N ATOM 661 CA ALA A 45 0.573 4.926 -0.186 1.00 0.00 C ATOM 662 C ALA A 45 1.717 3.964 -0.164 1.00 0.00 C ATOM 663 O ALA A 45 2.805 4.288 -0.575 1.00 0.00 O ATOM 664 CB ALA A 45 -0.455 4.421 -1.161 1.00 0.00 C ATOM 0 H ALA A 45 2.024 6.219 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 45 0.122 5.030 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.844 3.463 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.272 5.139 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.004 4.295 -2.141 1.00 0.00 H new ATOM 670 N CYS A 46 1.461 2.786 0.304 1.00 0.00 N ATOM 671 CA CYS A 46 2.562 1.803 0.313 1.00 0.00 C ATOM 672 C CYS A 46 2.110 0.849 -0.783 1.00 0.00 C ATOM 673 O CYS A 46 0.975 0.398 -0.800 1.00 0.00 O ATOM 674 CB CYS A 46 2.638 1.112 1.648 1.00 0.00 C ATOM 675 SG CYS A 46 4.255 1.129 2.438 1.00 0.00 S ATOM 0 H CYS A 46 0.564 2.467 0.671 1.00 0.00 H new ATOM 0 HA CYS A 46 3.555 2.223 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.919 1.579 2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.327 0.075 1.519 1.00 0.00 H new ATOM 680 N TRP A 47 3.014 0.573 -1.670 1.00 0.00 N ATOM 681 CA TRP A 47 2.694 -0.335 -2.782 1.00 0.00 C ATOM 682 C TRP A 47 3.443 -1.574 -2.400 1.00 0.00 C ATOM 683 O TRP A 47 4.657 -1.579 -2.263 1.00 0.00 O ATOM 684 CB TRP A 47 3.232 0.203 -4.108 1.00 0.00 C ATOM 685 CG TRP A 47 3.001 -0.782 -5.248 1.00 0.00 C ATOM 686 CD1 TRP A 47 3.727 -1.904 -5.504 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.025 -0.673 -6.196 1.00 0.00 C ATOM 688 NE1 TRP A 47 3.160 -2.409 -6.580 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.130 -1.744 -7.077 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.034 0.292 -6.370 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.228 -1.851 -8.142 1.00 0.00 C ATOM 692 CZ3 TRP A 47 0.138 0.191 -7.427 1.00 0.00 C ATOM 693 CH2 TRP A 47 0.233 -0.883 -8.312 1.00 0.00 C ATOM 0 H TRP A 47 3.965 0.942 -1.668 1.00 0.00 H new ATOM 0 HA TRP A 47 1.623 -0.477 -2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.746 1.150 -4.341 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.299 0.407 -4.013 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.572 -2.290 -4.953 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.498 -3.270 -7.009 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.963 1.121 -5.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.300 -2.679 -8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.628 0.940 -7.563 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.465 -0.967 -9.132 1.00 0.00 H new ATOM 704 N CYS A 48 2.694 -2.617 -2.242 1.00 0.00 N ATOM 705 CA CYS A 48 3.392 -3.862 -1.867 1.00 0.00 C ATOM 706 C CYS A 48 3.530 -4.632 -3.152 1.00 0.00 C ATOM 707 O CYS A 48 2.729 -4.455 -4.061 1.00 0.00 O ATOM 708 CB CYS A 48 2.561 -4.604 -0.869 1.00 0.00 C ATOM 709 SG CYS A 48 2.360 -3.769 0.726 1.00 0.00 S ATOM 0 H CYS A 48 1.681 -2.666 -2.349 1.00 0.00 H new ATOM 0 HA CYS A 48 4.366 -3.691 -1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.574 -4.779 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.012 -5.581 -0.697 1.00 0.00 H new ATOM 714 N TYR A 49 4.542 -5.456 -3.160 1.00 0.00 N ATOM 715 CA TYR A 49 4.817 -6.287 -4.350 1.00 0.00 C ATOM 716 C TYR A 49 4.517 -7.709 -3.944 1.00 0.00 C ATOM 717 O TYR A 49 5.042 -8.187 -2.949 1.00 0.00 O ATOM 718 CB TYR A 49 6.275 -6.239 -4.741 1.00 0.00 C ATOM 719 CG TYR A 49 6.821 -4.825 -5.006 1.00 0.00 C ATOM 720 CD1 TYR A 49 6.900 -3.863 -4.015 1.00 0.00 C ATOM 721 CD2 TYR A 49 7.275 -4.507 -6.269 1.00 0.00 C ATOM 722 CE1 TYR A 49 7.418 -2.618 -4.273 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.794 -3.257 -6.528 1.00 0.00 C ATOM 724 CZ TYR A 49 7.870 -2.312 -5.530 1.00 0.00 C ATOM 725 OH TYR A 49 8.405 -1.077 -5.830 1.00 0.00 O ATOM 0 H TYR A 49 5.191 -5.585 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 49 4.220 -5.929 -5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.865 -6.700 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.417 -6.843 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.548 -4.095 -3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.223 -5.242 -7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.469 -1.880 -3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.144 -3.017 -7.521 1.00 0.00 H new ATOM 0 HH TYR A 49 8.081 -0.415 -5.185 1.00 0.00 H new ATOM 735 N ALA A 50 3.702 -8.346 -4.733 1.00 0.00 N ATOM 736 CA ALA A 50 3.300 -9.759 -4.471 1.00 0.00 C ATOM 737 C ALA A 50 2.851 -9.897 -3.017 1.00 0.00 C ATOM 738 O ALA A 50 3.255 -10.777 -2.281 1.00 0.00 O ATOM 739 CB ALA A 50 4.476 -10.660 -4.767 1.00 0.00 C ATOM 0 H ALA A 50 3.286 -7.938 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 50 2.467 -10.047 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.196 -11.697 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.768 -10.546 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.313 -10.388 -4.124 1.00 0.00 H new ATOM 745 N LEU A 51 1.987 -8.992 -2.656 1.00 0.00 N ATOM 746 CA LEU A 51 1.414 -8.952 -1.301 1.00 0.00 C ATOM 747 C LEU A 51 0.531 -10.227 -1.367 1.00 0.00 C ATOM 748 O LEU A 51 -0.071 -10.438 -2.401 1.00 0.00 O ATOM 749 CB LEU A 51 0.622 -7.653 -1.239 1.00 0.00 C ATOM 750 CG LEU A 51 0.132 -7.265 0.147 1.00 0.00 C ATOM 751 CD1 LEU A 51 -0.824 -8.266 0.732 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.258 -7.033 1.127 1.00 0.00 C ATOM 0 H LEU A 51 1.648 -8.255 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 51 2.073 -8.956 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.244 -6.847 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.239 -7.738 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.397 -6.324 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.138 -7.934 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.697 -8.357 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.331 -9.235 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.845 -6.759 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.847 -7.945 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.896 -6.227 0.764 1.00 0.00 H new ATOM 764 N PRO A 52 0.483 -11.038 -0.334 1.00 0.00 N ATOM 765 CA PRO A 52 -0.506 -12.132 -0.149 1.00 0.00 C ATOM 766 C PRO A 52 -1.909 -11.805 -0.634 1.00 0.00 C ATOM 767 O PRO A 52 -2.203 -10.711 -1.061 1.00 0.00 O ATOM 768 CB PRO A 52 -0.512 -12.439 1.322 1.00 0.00 C ATOM 769 CG PRO A 52 0.748 -11.823 1.894 1.00 0.00 C ATOM 770 CD PRO A 52 1.415 -10.961 0.800 1.00 0.00 C ATOM 0 HA PRO A 52 -0.208 -12.984 -0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.399 -12.024 1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.530 -13.515 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.509 -11.212 2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.431 -12.603 2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.554 -9.932 1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.399 -11.346 0.534 1.00 0.00 H new ATOM 778 N ASP A 53 -2.752 -12.788 -0.528 1.00 0.00 N ATOM 779 CA ASP A 53 -4.141 -12.557 -0.987 1.00 0.00 C ATOM 780 C ASP A 53 -5.145 -12.128 0.060 1.00 0.00 C ATOM 781 O ASP A 53 -6.185 -11.590 -0.293 1.00 0.00 O ATOM 782 CB ASP A 53 -4.646 -13.826 -1.693 1.00 0.00 C ATOM 783 CG ASP A 53 -3.957 -13.903 -3.063 1.00 0.00 C ATOM 784 OD1 ASP A 53 -3.977 -12.903 -3.779 1.00 0.00 O ATOM 785 OD2 ASP A 53 -3.417 -14.951 -3.368 1.00 0.00 O ATOM 0 H ASP A 53 -2.548 -13.715 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.074 -11.698 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.417 -14.711 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.729 -13.793 -1.811 1.00 0.00 H new ATOM 790 N ASN A 54 -4.774 -12.369 1.291 1.00 0.00 N ATOM 791 CA ASN A 54 -5.629 -12.029 2.473 1.00 0.00 C ATOM 792 C ASN A 54 -5.655 -10.528 2.791 1.00 0.00 C ATOM 793 O ASN A 54 -6.260 -10.159 3.778 1.00 0.00 O ATOM 794 CB ASN A 54 -5.103 -12.763 3.720 1.00 0.00 C ATOM 795 CG ASN A 54 -3.674 -12.277 3.996 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.775 -12.656 3.280 1.00 0.00 O ATOM 797 ND2 ASN A 54 -3.416 -11.457 4.977 1.00 0.00 N ATOM 0 H ASN A 54 -3.883 -12.802 1.535 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.642 -12.339 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.745 -12.563 4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.113 -13.841 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.460 -11.138 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.170 -11.134 5.584 1.00 0.00 H new ATOM 804 N VAL A 55 -5.023 -9.707 1.993 1.00 0.00 N ATOM 805 CA VAL A 55 -5.041 -8.244 2.296 1.00 0.00 C ATOM 806 C VAL A 55 -5.780 -7.443 1.220 1.00 0.00 C ATOM 807 O VAL A 55 -5.181 -7.049 0.235 1.00 0.00 O ATOM 808 CB VAL A 55 -3.586 -7.737 2.422 1.00 0.00 C ATOM 809 CG1 VAL A 55 -3.651 -6.336 2.982 1.00 0.00 C ATOM 810 CG2 VAL A 55 -2.864 -8.624 3.410 1.00 0.00 C ATOM 0 H VAL A 55 -4.503 -9.979 1.158 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.577 -8.098 3.234 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.070 -7.750 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.641 -5.939 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.222 -5.700 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.136 -6.356 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.833 -8.286 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.364 -8.574 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.873 -9.653 3.050 1.00 0.00 H new ATOM 820 N PRO A 56 -7.060 -7.210 1.404 1.00 0.00 N ATOM 821 CA PRO A 56 -7.830 -6.404 0.424 1.00 0.00 C ATOM 822 C PRO A 56 -7.126 -5.039 0.305 1.00 0.00 C ATOM 823 O PRO A 56 -7.249 -4.213 1.182 1.00 0.00 O ATOM 824 CB PRO A 56 -9.261 -6.332 0.982 1.00 0.00 C ATOM 825 CG PRO A 56 -9.190 -6.849 2.448 1.00 0.00 C ATOM 826 CD PRO A 56 -7.882 -7.671 2.568 1.00 0.00 C ATOM 0 HA PRO A 56 -7.878 -6.819 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.639 -5.310 0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.940 -6.943 0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.190 -6.017 3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.057 -7.466 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.376 -7.481 3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.077 -8.742 2.520 1.00 0.00 H new ATOM 834 N ILE A 57 -6.410 -4.863 -0.768 1.00 0.00 N ATOM 835 CA ILE A 57 -5.671 -3.595 -1.033 1.00 0.00 C ATOM 836 C ILE A 57 -6.703 -2.506 -1.339 1.00 0.00 C ATOM 837 O ILE A 57 -7.893 -2.760 -1.265 1.00 0.00 O ATOM 838 CB ILE A 57 -4.706 -3.864 -2.216 1.00 0.00 C ATOM 839 CG1 ILE A 57 -5.490 -4.000 -3.531 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.812 -5.039 -1.903 1.00 0.00 C ATOM 841 CD1 ILE A 57 -6.562 -5.064 -3.502 1.00 0.00 C ATOM 0 H ILE A 57 -6.302 -5.568 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.079 -3.257 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.042 -3.011 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.951 -3.041 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.791 -4.225 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.139 -5.218 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.228 -4.824 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.423 -5.926 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.069 -5.097 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.107 -6.033 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.285 -4.831 -2.720 1.00 0.00 H new ATOM 853 N ARG A 58 -6.256 -1.321 -1.670 1.00 0.00 N ATOM 854 CA ARG A 58 -7.273 -0.264 -1.958 1.00 0.00 C ATOM 855 C ARG A 58 -7.025 0.565 -3.229 1.00 0.00 C ATOM 856 O ARG A 58 -5.952 1.097 -3.456 1.00 0.00 O ATOM 857 CB ARG A 58 -7.338 0.600 -0.681 1.00 0.00 C ATOM 858 CG ARG A 58 -6.204 1.581 -0.452 1.00 0.00 C ATOM 859 CD ARG A 58 -6.456 2.857 -1.297 1.00 0.00 C ATOM 860 NE ARG A 58 -6.293 4.105 -0.444 1.00 0.00 N ATOM 861 CZ ARG A 58 -6.705 5.285 -0.835 1.00 0.00 C ATOM 862 NH1 ARG A 58 -7.416 5.350 -1.922 1.00 0.00 N ATOM 863 NH2 ARG A 58 -6.380 6.348 -0.135 1.00 0.00 N ATOM 0 H ARG A 58 -5.277 -1.046 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.229 -0.733 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.272 1.161 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.385 -0.069 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.137 1.838 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.253 1.128 -0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.759 2.889 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.460 2.827 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.845 4.020 0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.635 4.499 -2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.754 6.252 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.811 6.251 0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.697 7.271 -0.432 1.00 0.00 H new ATOM 877 N VAL A 59 -8.078 0.625 -4.008 1.00 0.00 N ATOM 878 CA VAL A 59 -8.108 1.373 -5.303 1.00 0.00 C ATOM 879 C VAL A 59 -9.520 1.928 -5.626 1.00 0.00 C ATOM 880 O VAL A 59 -10.059 1.682 -6.689 1.00 0.00 O ATOM 881 CB VAL A 59 -7.662 0.420 -6.429 1.00 0.00 C ATOM 882 CG1 VAL A 59 -6.168 0.199 -6.346 1.00 0.00 C ATOM 883 CG2 VAL A 59 -8.435 -0.870 -6.260 1.00 0.00 C ATOM 0 H VAL A 59 -8.959 0.162 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.434 2.226 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.868 0.838 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.855 -0.475 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.652 1.153 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.918 -0.240 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.146 -1.573 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.214 -1.302 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.503 -0.666 -6.333 1.00 0.00 H new ATOM 893 N PRO A 60 -10.111 2.661 -4.721 1.00 0.00 N ATOM 894 CA PRO A 60 -11.431 3.293 -4.966 1.00 0.00 C ATOM 895 C PRO A 60 -11.154 4.676 -5.586 1.00 0.00 C ATOM 896 O PRO A 60 -10.210 4.851 -6.332 1.00 0.00 O ATOM 897 CB PRO A 60 -12.026 3.282 -3.562 1.00 0.00 C ATOM 898 CG PRO A 60 -10.781 3.698 -2.713 1.00 0.00 C ATOM 899 CD PRO A 60 -9.598 2.951 -3.363 1.00 0.00 C ATOM 0 HA PRO A 60 -12.123 2.820 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.851 3.986 -3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.407 2.300 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.629 4.777 -2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.902 3.415 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.697 3.564 -3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.346 2.040 -2.821 1.00 0.00 H new ATOM 907 N GLY A 61 -11.989 5.617 -5.254 1.00 0.00 N ATOM 908 CA GLY A 61 -11.811 6.999 -5.781 1.00 0.00 C ATOM 909 C GLY A 61 -10.876 7.637 -4.755 1.00 0.00 C ATOM 910 O GLY A 61 -9.907 8.295 -5.079 1.00 0.00 O ATOM 0 H GLY A 61 -12.792 5.490 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.374 6.998 -6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.760 7.531 -5.849 1.00 0.00 H new ATOM 914 N LYS A 62 -11.216 7.402 -3.517 1.00 0.00 N ATOM 915 CA LYS A 62 -10.434 7.930 -2.362 1.00 0.00 C ATOM 916 C LYS A 62 -10.734 6.966 -1.193 1.00 0.00 C ATOM 917 O LYS A 62 -11.641 6.160 -1.294 1.00 0.00 O ATOM 918 CB LYS A 62 -10.915 9.377 -2.088 1.00 0.00 C ATOM 919 CG LYS A 62 -9.907 10.116 -1.175 1.00 0.00 C ATOM 920 CD LYS A 62 -10.257 11.622 -1.184 1.00 0.00 C ATOM 921 CE LYS A 62 -9.218 12.394 -0.342 1.00 0.00 C ATOM 922 NZ LYS A 62 -9.523 13.860 -0.360 1.00 0.00 N ATOM 0 H LYS A 62 -12.030 6.848 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.358 7.976 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.025 9.915 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.897 9.357 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.954 9.721 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.888 9.961 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.265 11.999 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.257 11.777 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.225 12.026 0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.217 12.219 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.817 14.368 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.494 14.209 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.470 14.022 0.037 1.00 0.00 H new ATOM 936 N CYS A 63 -9.984 7.076 -0.135 1.00 0.00 N ATOM 937 CA CYS A 63 -10.159 6.203 1.080 1.00 0.00 C ATOM 938 C CYS A 63 -11.537 6.507 1.711 1.00 0.00 C ATOM 939 O CYS A 63 -12.098 7.562 1.470 1.00 0.00 O ATOM 940 CB CYS A 63 -8.999 6.558 2.017 1.00 0.00 C ATOM 941 SG CYS A 63 -9.210 6.428 3.810 1.00 0.00 S ATOM 0 H CYS A 63 -9.228 7.756 -0.050 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.139 5.137 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.156 5.924 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.709 7.586 1.799 1.00 0.00 H new ATOM 946 N HIS A 64 -12.057 5.591 2.494 1.00 0.00 N ATOM 947 CA HIS A 64 -13.396 5.838 3.132 1.00 0.00 C ATOM 948 C HIS A 64 -13.551 4.970 4.398 1.00 0.00 C ATOM 949 O HIS A 64 -14.624 4.410 4.579 1.00 0.00 O ATOM 950 CB HIS A 64 -14.512 5.505 2.112 1.00 0.00 C ATOM 951 CG HIS A 64 -14.274 4.082 1.605 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.278 3.004 2.340 1.00 0.00 N ATOM 953 CD2 HIS A 64 -13.992 3.672 0.316 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.024 1.953 1.612 1.00 0.00 C ATOM 955 NE2 HIS A 64 -13.851 2.371 0.387 1.00 0.00 N ATOM 956 OXT HIS A 64 -12.578 4.909 5.130 1.00 0.00 O ATOM 0 H HIS A 64 -11.623 4.696 2.718 1.00 0.00 H new ATOM 0 HA HIS A 64 -13.473 6.885 3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -15.493 5.584 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.496 6.213 1.284 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.455 2.986 3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.906 4.292 -0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.967 0.931 1.956 1.00 0.00 H new