USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 389 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 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.986 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.4!) USER MOD Single : A 9 ASN : amide:sc= -0.311 K(o=-0.31,f=-3.1!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 23 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3!) USER MOD Single : A 24 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.9!) USER MOD Single : A 28 SER OG : rot -51:sc= 0.0086 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= -0.771 (180deg=-1.42) USER MOD Single : A 47 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.77) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 26.969 1.801 -8.611 1.00 6.91 N ATOM 2 CA TYR A 1 26.822 1.188 -7.258 1.00 6.18 C ATOM 3 C TYR A 1 25.922 2.074 -6.391 1.00 5.01 C ATOM 4 O TYR A 1 26.333 3.124 -5.936 1.00 4.71 O ATOM 5 CB TYR A 1 28.185 1.041 -6.581 1.00 6.40 C ATOM 6 CG TYR A 1 28.153 -0.164 -5.636 1.00 6.61 C ATOM 7 CD1 TYR A 1 28.049 -1.445 -6.138 1.00 7.85 C ATOM 8 CD2 TYR A 1 28.228 0.015 -4.269 1.00 5.98 C ATOM 9 CE1 TYR A 1 28.020 -2.531 -5.287 1.00 8.58 C ATOM 10 CE2 TYR A 1 28.200 -1.072 -3.418 1.00 6.79 C ATOM 11 CZ TYR A 1 28.096 -2.353 -3.921 1.00 8.13 C ATOM 12 OH TYR A 1 28.067 -3.439 -3.070 1.00 9.25 O ATOM 0 H1 TYR A 1 27.580 1.200 -9.200 1.00 6.91 H new ATOM 0 H2 TYR A 1 26.033 1.886 -9.057 1.00 6.91 H new ATOM 0 H3 TYR A 1 27.396 2.745 -8.520 1.00 6.91 H new ATOM 0 HA TYR A 1 26.377 0.200 -7.371 1.00 6.18 H new ATOM 0 HB2 TYR A 1 28.964 0.909 -7.331 1.00 6.40 H new ATOM 0 HB3 TYR A 1 28.428 1.947 -6.026 1.00 6.40 H new ATOM 0 HD1 TYR A 1 27.990 -1.599 -7.205 1.00 7.85 H new ATOM 0 HD2 TYR A 1 28.309 1.012 -3.862 1.00 5.98 H new ATOM 0 HE1 TYR A 1 27.937 -3.528 -5.694 1.00 8.58 H new ATOM 0 HE2 TYR A 1 28.260 -0.919 -2.351 1.00 6.79 H new ATOM 0 HH TYR A 1 28.132 -3.130 -2.142 1.00 9.25 H new ATOM 24 N ALA A 2 24.713 1.633 -6.180 1.00 4.72 N ATOM 25 CA ALA A 2 23.776 2.437 -5.343 1.00 3.55 C ATOM 26 C ALA A 2 24.123 2.275 -3.861 1.00 3.24 C ATOM 27 O ALA A 2 24.285 1.173 -3.376 1.00 3.97 O ATOM 28 CB ALA A 2 22.346 1.957 -5.589 1.00 3.82 C ATOM 0 H ALA A 2 24.335 0.759 -6.546 1.00 4.72 H new ATOM 0 HA ALA A 2 23.865 3.489 -5.613 1.00 3.55 H new ATOM 0 HB1 ALA A 2 21.656 2.541 -4.980 1.00 3.82 H new ATOM 0 HB2 ALA A 2 22.096 2.083 -6.642 1.00 3.82 H new ATOM 0 HB3 ALA A 2 22.265 0.904 -5.321 1.00 3.82 H new ATOM 34 N SER A 3 24.232 3.378 -3.175 1.00 2.99 N ATOM 35 CA SER A 3 24.571 3.308 -1.724 1.00 3.88 C ATOM 36 C SER A 3 24.087 4.568 -1.009 1.00 4.15 C ATOM 37 O SER A 3 22.929 4.686 -0.662 1.00 3.67 O ATOM 38 CB SER A 3 26.087 3.188 -1.572 1.00 5.18 C ATOM 39 OG SER A 3 26.344 1.801 -1.730 1.00 5.56 O ATOM 0 H SER A 3 24.103 4.318 -3.551 1.00 2.99 H new ATOM 0 HA SER A 3 24.081 2.441 -1.281 1.00 3.88 H new ATOM 0 HB2 SER A 3 26.611 3.778 -2.324 1.00 5.18 H new ATOM 0 HB3 SER A 3 26.419 3.546 -0.598 1.00 5.18 H new ATOM 0 HG SER A 3 25.606 1.386 -2.223 1.00 5.56 H new ATOM 45 N LEU A 4 24.989 5.480 -0.801 1.00 5.19 N ATOM 46 CA LEU A 4 24.610 6.749 -0.113 1.00 5.96 C ATOM 47 C LEU A 4 23.515 7.473 -0.903 1.00 5.38 C ATOM 48 O LEU A 4 22.931 8.426 -0.426 1.00 5.88 O ATOM 49 CB LEU A 4 25.841 7.645 -0.010 1.00 7.30 C ATOM 50 CG LEU A 4 26.427 7.855 -1.408 1.00 7.02 C ATOM 51 CD1 LEU A 4 26.448 9.352 -1.728 1.00 7.51 C ATOM 52 CD2 LEU A 4 27.858 7.314 -1.441 1.00 8.22 C ATOM 0 H LEU A 4 25.969 5.407 -1.074 1.00 5.19 H new ATOM 0 HA LEU A 4 24.231 6.520 0.883 1.00 5.96 H new ATOM 0 HB2 LEU A 4 25.572 8.604 0.433 1.00 7.30 H new ATOM 0 HB3 LEU A 4 26.584 7.189 0.644 1.00 7.30 H new ATOM 0 HG LEU A 4 25.817 7.330 -2.144 1.00 7.02 H new ATOM 0 HD11 LEU A 4 26.865 9.505 -2.723 1.00 7.51 H new ATOM 0 HD12 LEU A 4 25.432 9.745 -1.696 1.00 7.51 H new ATOM 0 HD13 LEU A 4 27.062 9.873 -0.993 1.00 7.51 H new ATOM 0 HD21 LEU A 4 28.280 7.461 -2.435 1.00 8.22 H new ATOM 0 HD22 LEU A 4 28.465 7.845 -0.707 1.00 8.22 H new ATOM 0 HD23 LEU A 4 27.850 6.250 -1.204 1.00 8.22 H new ATOM 64 N GLU A 5 23.262 7.007 -2.094 1.00 4.64 N ATOM 65 CA GLU A 5 22.208 7.661 -2.926 1.00 4.58 C ATOM 66 C GLU A 5 20.828 7.100 -2.570 1.00 3.44 C ATOM 67 O GLU A 5 19.821 7.565 -3.063 1.00 3.30 O ATOM 68 CB GLU A 5 22.500 7.392 -4.403 1.00 4.94 C ATOM 69 CG GLU A 5 23.895 7.917 -4.744 1.00 6.26 C ATOM 70 CD GLU A 5 23.815 8.784 -6.003 1.00 6.95 C ATOM 71 OE1 GLU A 5 23.073 9.750 -5.949 1.00 7.07 O ATOM 72 OE2 GLU A 5 24.500 8.429 -6.948 1.00 7.56 O ATOM 0 H GLU A 5 23.732 6.211 -2.526 1.00 4.64 H new ATOM 0 HA GLU A 5 22.213 8.734 -2.733 1.00 4.58 H new ATOM 0 HB2 GLU A 5 22.440 6.323 -4.609 1.00 4.94 H new ATOM 0 HB3 GLU A 5 21.752 7.879 -5.028 1.00 4.94 H new ATOM 0 HG2 GLU A 5 24.290 8.499 -3.912 1.00 6.26 H new ATOM 0 HG3 GLU A 5 24.580 7.085 -4.905 1.00 6.26 H new ATOM 79 N GLU A 6 20.813 6.112 -1.717 1.00 3.12 N ATOM 80 CA GLU A 6 19.509 5.507 -1.322 1.00 2.12 C ATOM 81 C GLU A 6 18.516 6.603 -0.917 1.00 2.32 C ATOM 82 O GLU A 6 18.715 7.294 0.061 1.00 3.14 O ATOM 83 CB GLU A 6 19.732 4.562 -0.143 1.00 2.56 C ATOM 84 CG GLU A 6 18.389 3.963 0.279 1.00 2.48 C ATOM 85 CD GLU A 6 18.553 2.458 0.500 1.00 3.69 C ATOM 86 OE1 GLU A 6 18.764 1.785 -0.495 1.00 3.90 O ATOM 87 OE2 GLU A 6 18.457 2.067 1.651 1.00 4.62 O ATOM 0 H GLU A 6 21.638 5.701 -1.280 1.00 3.12 H new ATOM 0 HA GLU A 6 19.099 4.956 -2.169 1.00 2.12 H new ATOM 0 HB2 GLU A 6 20.426 3.769 -0.422 1.00 2.56 H new ATOM 0 HB3 GLU A 6 20.182 5.101 0.691 1.00 2.56 H new ATOM 0 HG2 GLU A 6 18.036 4.440 1.193 1.00 2.48 H new ATOM 0 HG3 GLU A 6 17.637 4.150 -0.488 1.00 2.48 H new ATOM 94 N GLN A 7 17.468 6.734 -1.684 1.00 1.94 N ATOM 95 CA GLN A 7 16.451 7.777 -1.363 1.00 2.46 C ATOM 96 C GLN A 7 15.554 7.307 -0.212 1.00 2.13 C ATOM 97 O GLN A 7 15.405 6.123 0.019 1.00 1.66 O ATOM 98 CB GLN A 7 15.596 8.034 -2.602 1.00 2.69 C ATOM 99 CG GLN A 7 16.347 8.979 -3.542 1.00 4.15 C ATOM 100 CD GLN A 7 15.751 8.873 -4.947 1.00 4.90 C ATOM 101 OE1 GLN A 7 14.858 9.610 -5.313 1.00 5.56 O ATOM 102 NE2 GLN A 7 16.217 7.968 -5.765 1.00 5.21 N ATOM 0 H GLN A 7 17.272 6.170 -2.511 1.00 1.94 H new ATOM 0 HA GLN A 7 16.958 8.694 -1.061 1.00 2.46 H new ATOM 0 HB2 GLN A 7 15.377 7.094 -3.109 1.00 2.69 H new ATOM 0 HB3 GLN A 7 14.640 8.471 -2.315 1.00 2.69 H new ATOM 0 HG2 GLN A 7 16.274 10.005 -3.180 1.00 4.15 H new ATOM 0 HG3 GLN A 7 17.406 8.723 -3.564 1.00 4.15 H new ATOM 0 HE21 GLN A 7 16.967 7.346 -5.464 1.00 5.21 H new ATOM 0 HE22 GLN A 7 15.831 7.883 -6.705 1.00 5.21 H new ATOM 111 N ASN A 8 14.974 8.247 0.483 1.00 2.89 N ATOM 112 CA ASN A 8 14.083 7.875 1.622 1.00 2.96 C ATOM 113 C ASN A 8 13.119 6.762 1.199 1.00 1.91 C ATOM 114 O ASN A 8 12.502 6.835 0.154 1.00 1.70 O ATOM 115 CB ASN A 8 13.283 9.102 2.054 1.00 3.88 C ATOM 116 CG ASN A 8 12.237 8.683 3.090 1.00 4.04 C ATOM 117 OD1 ASN A 8 12.315 7.619 3.672 1.00 3.80 O ATOM 118 ND2 ASN A 8 11.243 9.488 3.348 1.00 5.03 N ATOM 0 H ASN A 8 15.076 9.248 0.315 1.00 2.89 H new ATOM 0 HA ASN A 8 14.693 7.517 2.451 1.00 2.96 H new ATOM 0 HB2 ASN A 8 13.949 9.855 2.476 1.00 3.88 H new ATOM 0 HB3 ASN A 8 12.796 9.555 1.191 1.00 3.88 H new ATOM 0 HD21 ASN A 8 10.537 9.223 4.035 1.00 5.03 H new ATOM 0 HD22 ASN A 8 11.172 10.382 2.863 1.00 5.03 H new ATOM 125 N ASN A 9 13.008 5.757 2.023 1.00 2.06 N ATOM 126 CA ASN A 9 12.090 4.632 1.687 1.00 1.69 C ATOM 127 C ASN A 9 10.636 5.117 1.687 1.00 1.02 C ATOM 128 O ASN A 9 10.070 5.392 2.727 1.00 1.85 O ATOM 129 CB ASN A 9 12.258 3.526 2.727 1.00 2.92 C ATOM 130 CG ASN A 9 13.692 2.995 2.671 1.00 4.10 C ATOM 131 OD1 ASN A 9 14.537 3.532 1.983 1.00 4.17 O ATOM 132 ND2 ASN A 9 14.007 1.945 3.379 1.00 5.28 N ATOM 0 H ASN A 9 13.508 5.666 2.907 1.00 2.06 H new ATOM 0 HA ASN A 9 12.334 4.252 0.695 1.00 1.69 H new ATOM 0 HB2 ASN A 9 12.039 3.911 3.723 1.00 2.92 H new ATOM 0 HB3 ASN A 9 11.551 2.719 2.534 1.00 2.92 H new ATOM 0 HD21 ASN A 9 14.959 1.579 3.353 1.00 5.28 H new ATOM 0 HD22 ASN A 9 13.301 1.490 3.958 1.00 5.28 H new ATOM 139 N ASP A 10 10.064 5.212 0.518 1.00 0.78 N ATOM 140 CA ASP A 10 8.649 5.678 0.430 1.00 0.86 C ATOM 141 C ASP A 10 7.751 4.808 1.315 1.00 0.46 C ATOM 142 O ASP A 10 7.966 3.619 1.444 1.00 1.33 O ATOM 143 CB ASP A 10 8.182 5.582 -1.022 1.00 2.00 C ATOM 144 CG ASP A 10 8.847 4.375 -1.687 1.00 2.63 C ATOM 145 OD1 ASP A 10 8.709 3.302 -1.122 1.00 2.57 O ATOM 146 OD2 ASP A 10 9.455 4.594 -2.722 1.00 3.65 O ATOM 0 H ASP A 10 10.509 4.990 -0.373 1.00 0.78 H new ATOM 0 HA ASP A 10 8.587 6.711 0.773 1.00 0.86 H new ATOM 0 HB2 ASP A 10 7.097 5.482 -1.062 1.00 2.00 H new ATOM 0 HB3 ASP A 10 8.438 6.495 -1.560 1.00 2.00 H new ATOM 151 N ALA A 11 6.761 5.421 1.906 1.00 1.59 N ATOM 152 CA ALA A 11 5.839 4.644 2.786 1.00 2.34 C ATOM 153 C ALA A 11 5.234 3.470 2.009 1.00 1.92 C ATOM 154 O ALA A 11 5.117 2.376 2.523 1.00 2.10 O ATOM 155 CB ALA A 11 4.721 5.564 3.274 1.00 3.54 C ATOM 0 H ALA A 11 6.551 6.415 1.820 1.00 1.59 H new ATOM 0 HA ALA A 11 6.396 4.253 3.637 1.00 2.34 H new ATOM 0 HB1 ALA A 11 4.043 5.003 3.918 1.00 3.54 H new ATOM 0 HB2 ALA A 11 5.151 6.393 3.835 1.00 3.54 H new ATOM 0 HB3 ALA A 11 4.170 5.953 2.418 1.00 3.54 H new ATOM 161 N LEU A 12 4.862 3.725 0.785 1.00 1.44 N ATOM 162 CA LEU A 12 4.264 2.637 -0.042 1.00 1.04 C ATOM 163 C LEU A 12 5.371 1.790 -0.678 1.00 1.10 C ATOM 164 O LEU A 12 6.535 1.957 -0.372 1.00 1.61 O ATOM 165 CB LEU A 12 3.407 3.258 -1.142 1.00 0.72 C ATOM 166 CG LEU A 12 2.621 4.438 -0.566 1.00 0.75 C ATOM 167 CD1 LEU A 12 1.657 4.966 -1.630 1.00 0.81 C ATOM 168 CD2 LEU A 12 1.819 3.964 0.647 1.00 1.36 C ATOM 0 H LEU A 12 4.945 4.631 0.324 1.00 1.44 H new ATOM 0 HA LEU A 12 3.650 1.999 0.594 1.00 1.04 H new ATOM 0 HB2 LEU A 12 4.038 3.594 -1.965 1.00 0.72 H new ATOM 0 HB3 LEU A 12 2.722 2.514 -1.549 1.00 0.72 H new ATOM 0 HG LEU A 12 3.309 5.228 -0.267 1.00 0.75 H new ATOM 0 HD11 LEU A 12 1.094 5.807 -1.226 1.00 0.81 H new ATOM 0 HD12 LEU A 12 2.222 5.294 -2.503 1.00 0.81 H new ATOM 0 HD13 LEU A 12 0.967 4.174 -1.921 1.00 0.81 H new ATOM 0 HD21 LEU A 12 1.257 4.801 1.061 1.00 1.36 H new ATOM 0 HD22 LEU A 12 1.128 3.178 0.342 1.00 1.36 H new ATOM 0 HD23 LEU A 12 2.500 3.574 1.404 1.00 1.36 H new ATOM 180 N SER A 13 4.985 0.899 -1.551 1.00 0.78 N ATOM 181 CA SER A 13 6.009 0.038 -2.213 1.00 1.17 C ATOM 182 C SER A 13 5.543 -0.342 -3.636 1.00 1.09 C ATOM 183 O SER A 13 4.380 -0.211 -3.961 1.00 1.01 O ATOM 184 CB SER A 13 6.198 -1.229 -1.379 1.00 1.84 C ATOM 185 OG SER A 13 5.210 -1.126 -0.363 1.00 1.68 O ATOM 0 H SER A 13 4.019 0.730 -1.832 1.00 0.78 H new ATOM 0 HA SER A 13 6.951 0.581 -2.287 1.00 1.17 H new ATOM 0 HB2 SER A 13 6.059 -2.127 -1.981 1.00 1.84 H new ATOM 0 HB3 SER A 13 7.201 -1.282 -0.956 1.00 1.84 H new ATOM 0 HG SER A 13 5.261 -1.909 0.223 1.00 1.68 H new ATOM 191 N PRO A 14 6.473 -0.809 -4.461 1.00 1.18 N ATOM 192 CA PRO A 14 6.145 -1.210 -5.838 1.00 1.24 C ATOM 193 C PRO A 14 5.082 -2.317 -5.848 1.00 1.38 C ATOM 194 O PRO A 14 4.426 -2.542 -6.845 1.00 1.51 O ATOM 195 CB PRO A 14 7.460 -1.733 -6.431 1.00 1.39 C ATOM 196 CG PRO A 14 8.542 -1.645 -5.314 1.00 1.40 C ATOM 197 CD PRO A 14 7.892 -0.973 -4.091 1.00 1.29 C ATOM 0 HA PRO A 14 5.737 -0.377 -6.411 1.00 1.24 H new ATOM 0 HB2 PRO A 14 7.344 -2.761 -6.773 1.00 1.39 H new ATOM 0 HB3 PRO A 14 7.753 -1.140 -7.297 1.00 1.39 H new ATOM 0 HG2 PRO A 14 8.908 -2.639 -5.056 1.00 1.40 H new ATOM 0 HG3 PRO A 14 9.401 -1.068 -5.657 1.00 1.40 H new ATOM 0 HD2 PRO A 14 7.999 -1.588 -3.198 1.00 1.29 H new ATOM 0 HD3 PRO A 14 8.358 -0.012 -3.874 1.00 1.29 H new ATOM 205 N ALA A 15 4.937 -2.981 -4.735 1.00 1.47 N ATOM 206 CA ALA A 15 3.926 -4.078 -4.661 1.00 1.67 C ATOM 207 C ALA A 15 2.532 -3.493 -4.424 1.00 1.49 C ATOM 208 O ALA A 15 1.642 -4.176 -3.959 1.00 2.02 O ATOM 209 CB ALA A 15 4.288 -5.015 -3.511 1.00 1.90 C ATOM 0 H ALA A 15 5.468 -2.816 -3.880 1.00 1.47 H new ATOM 0 HA ALA A 15 3.923 -4.629 -5.601 1.00 1.67 H new ATOM 0 HB1 ALA A 15 3.554 -5.818 -3.451 1.00 1.90 H new ATOM 0 HB2 ALA A 15 5.277 -5.439 -3.685 1.00 1.90 H new ATOM 0 HB3 ALA A 15 4.292 -4.457 -2.575 1.00 1.90 H new ATOM 215 N ILE A 16 2.375 -2.242 -4.750 1.00 0.92 N ATOM 216 CA ILE A 16 1.046 -1.595 -4.551 1.00 0.80 C ATOM 217 C ILE A 16 0.223 -1.656 -5.843 1.00 0.94 C ATOM 218 O ILE A 16 -0.981 -1.491 -5.824 1.00 0.86 O ATOM 219 CB ILE A 16 1.253 -0.134 -4.153 1.00 0.76 C ATOM 220 CG1 ILE A 16 -0.034 0.393 -3.506 1.00 0.69 C ATOM 221 CG2 ILE A 16 1.569 0.685 -5.406 1.00 0.87 C ATOM 222 CD1 ILE A 16 0.059 1.912 -3.351 1.00 0.86 C ATOM 0 H ILE A 16 3.101 -1.642 -5.142 1.00 0.92 H new ATOM 0 HA ILE A 16 0.508 -2.125 -3.765 1.00 0.80 H new ATOM 0 HB ILE A 16 2.079 -0.051 -3.446 1.00 0.76 H new ATOM 0 HG12 ILE A 16 -0.896 0.131 -4.120 1.00 0.69 H new ATOM 0 HG13 ILE A 16 -0.182 -0.074 -2.532 1.00 0.69 H new ATOM 0 HG21 ILE A 16 1.718 1.729 -5.130 1.00 0.87 H new ATOM 0 HG22 ILE A 16 2.475 0.300 -5.873 1.00 0.87 H new ATOM 0 HG23 ILE A 16 0.739 0.610 -6.108 1.00 0.87 H new ATOM 0 HD11 ILE A 16 -0.855 2.287 -2.891 1.00 0.86 H new ATOM 0 HD12 ILE A 16 0.912 2.162 -2.720 1.00 0.86 H new ATOM 0 HD13 ILE A 16 0.187 2.371 -4.332 1.00 0.86 H new ATOM 234 N ARG A 17 0.890 -1.893 -6.941 1.00 1.20 N ATOM 235 CA ARG A 17 0.159 -1.958 -8.241 1.00 1.37 C ATOM 236 C ARG A 17 -0.454 -3.346 -8.442 1.00 1.33 C ATOM 237 O ARG A 17 -1.657 -3.512 -8.386 1.00 1.33 O ATOM 238 CB ARG A 17 1.135 -1.666 -9.379 1.00 1.65 C ATOM 239 CG ARG A 17 1.693 -0.250 -9.214 1.00 1.79 C ATOM 240 CD ARG A 17 3.222 -0.314 -9.186 1.00 3.20 C ATOM 241 NE ARG A 17 3.761 1.056 -8.959 1.00 3.37 N ATOM 242 CZ ARG A 17 4.855 1.207 -8.266 1.00 4.80 C ATOM 243 NH1 ARG A 17 5.948 0.623 -8.678 1.00 5.94 N ATOM 244 NH2 ARG A 17 4.822 1.935 -7.183 1.00 5.25 N ATOM 0 H ARG A 17 1.897 -2.043 -6.995 1.00 1.20 H new ATOM 0 HA ARG A 17 -0.642 -1.219 -8.235 1.00 1.37 H new ATOM 0 HB2 ARG A 17 1.947 -2.393 -9.373 1.00 1.65 H new ATOM 0 HB3 ARG A 17 0.630 -1.761 -10.340 1.00 1.65 H new ATOM 0 HG2 ARG A 17 1.358 0.384 -10.035 1.00 1.79 H new ATOM 0 HG3 ARG A 17 1.318 0.197 -8.293 1.00 1.79 H new ATOM 0 HD2 ARG A 17 3.556 -0.986 -8.395 1.00 3.20 H new ATOM 0 HD3 ARG A 17 3.599 -0.716 -10.126 1.00 3.20 H new ATOM 0 HE ARG A 17 3.278 1.869 -9.342 1.00 3.37 H new ATOM 0 HH11 ARG A 17 5.936 0.060 -9.529 1.00 5.94 H new ATOM 0 HH12 ARG A 17 6.814 0.730 -8.149 1.00 5.94 H new ATOM 0 HH21 ARG A 17 3.950 2.375 -6.891 1.00 5.25 H new ATOM 0 HH22 ARG A 17 5.669 2.064 -6.629 1.00 5.25 H new ATOM 258 N ARG A 18 0.388 -4.316 -8.673 1.00 1.39 N ATOM 259 CA ARG A 18 -0.128 -5.701 -8.886 1.00 1.35 C ATOM 260 C ARG A 18 -1.102 -6.088 -7.767 1.00 1.00 C ATOM 261 O ARG A 18 -1.788 -7.086 -7.858 1.00 0.83 O ATOM 262 CB ARG A 18 1.048 -6.675 -8.897 1.00 1.48 C ATOM 263 CG ARG A 18 1.818 -6.516 -10.212 1.00 1.87 C ATOM 264 CD ARG A 18 3.309 -6.740 -9.953 1.00 2.58 C ATOM 265 NE ARG A 18 4.049 -6.591 -11.237 1.00 2.54 N ATOM 266 CZ ARG A 18 4.338 -5.396 -11.675 1.00 2.27 C ATOM 267 NH1 ARG A 18 4.830 -4.522 -10.839 1.00 3.29 N ATOM 268 NH2 ARG A 18 4.124 -5.114 -12.931 1.00 2.19 N ATOM 0 H ARG A 18 1.402 -4.213 -8.723 1.00 1.39 H new ATOM 0 HA ARG A 18 -0.657 -5.742 -9.838 1.00 1.35 H new ATOM 0 HB2 ARG A 18 1.706 -6.480 -8.050 1.00 1.48 H new ATOM 0 HB3 ARG A 18 0.689 -7.699 -8.793 1.00 1.48 H new ATOM 0 HG2 ARG A 18 1.453 -7.231 -10.949 1.00 1.87 H new ATOM 0 HG3 ARG A 18 1.654 -5.521 -10.625 1.00 1.87 H new ATOM 0 HD2 ARG A 18 3.677 -6.021 -9.220 1.00 2.58 H new ATOM 0 HD3 ARG A 18 3.474 -7.733 -9.536 1.00 2.58 H new ATOM 0 HE ARG A 18 4.327 -7.415 -11.769 1.00 2.54 H new ATOM 0 HH11 ARG A 18 4.982 -4.779 -9.864 1.00 3.29 H new ATOM 0 HH12 ARG A 18 5.063 -3.583 -11.161 1.00 3.29 H new ATOM 0 HH21 ARG A 18 3.736 -5.823 -13.554 1.00 2.19 H new ATOM 0 HH22 ARG A 18 4.344 -4.185 -13.290 1.00 2.19 H new ATOM 282 N LEU A 19 -1.144 -5.288 -6.738 1.00 0.94 N ATOM 283 CA LEU A 19 -2.068 -5.596 -5.606 1.00 0.62 C ATOM 284 C LEU A 19 -3.520 -5.335 -6.019 1.00 0.63 C ATOM 285 O LEU A 19 -4.340 -6.233 -6.017 1.00 0.81 O ATOM 286 CB LEU A 19 -1.709 -4.708 -4.415 1.00 0.67 C ATOM 287 CG LEU A 19 -2.334 -5.294 -3.147 1.00 0.39 C ATOM 288 CD1 LEU A 19 -1.302 -6.175 -2.438 1.00 0.34 C ATOM 289 CD2 LEU A 19 -2.749 -4.155 -2.215 1.00 0.49 C ATOM 0 H LEU A 19 -0.585 -4.442 -6.630 1.00 0.94 H new ATOM 0 HA LEU A 19 -1.965 -6.646 -5.334 1.00 0.62 H new ATOM 0 HB2 LEU A 19 -0.626 -4.645 -4.306 1.00 0.67 H new ATOM 0 HB3 LEU A 19 -2.073 -3.694 -4.579 1.00 0.67 H new ATOM 0 HG LEU A 19 -3.208 -5.889 -3.410 1.00 0.39 H new ATOM 0 HD11 LEU A 19 -1.742 -6.595 -1.534 1.00 0.34 H new ATOM 0 HD12 LEU A 19 -0.996 -6.983 -3.102 1.00 0.34 H new ATOM 0 HD13 LEU A 19 -0.432 -5.575 -2.173 1.00 0.34 H new ATOM 0 HD21 LEU A 19 -3.195 -4.569 -1.311 1.00 0.49 H new ATOM 0 HD22 LEU A 19 -1.872 -3.564 -1.950 1.00 0.49 H new ATOM 0 HD23 LEU A 19 -3.476 -3.519 -2.719 1.00 0.49 H new ATOM 301 N LEU A 20 -3.809 -4.109 -6.362 1.00 0.77 N ATOM 302 CA LEU A 20 -5.204 -3.772 -6.774 1.00 0.96 C ATOM 303 C LEU A 20 -5.609 -4.595 -8.004 1.00 1.10 C ATOM 304 O LEU A 20 -6.760 -4.605 -8.394 1.00 1.59 O ATOM 305 CB LEU A 20 -5.278 -2.282 -7.111 1.00 1.26 C ATOM 306 CG LEU A 20 -5.345 -1.475 -5.812 1.00 1.08 C ATOM 307 CD1 LEU A 20 -4.651 -0.128 -6.020 1.00 1.49 C ATOM 308 CD2 LEU A 20 -6.810 -1.234 -5.444 1.00 1.06 C ATOM 0 H LEU A 20 -3.148 -3.332 -6.375 1.00 0.77 H new ATOM 0 HA LEU A 20 -5.886 -4.005 -5.956 1.00 0.96 H new ATOM 0 HB2 LEU A 20 -4.406 -1.985 -7.693 1.00 1.26 H new ATOM 0 HB3 LEU A 20 -6.155 -2.079 -7.725 1.00 1.26 H new ATOM 0 HG LEU A 20 -4.850 -2.025 -5.012 1.00 1.08 H new ATOM 0 HD11 LEU A 20 -4.696 0.451 -5.097 1.00 1.49 H new ATOM 0 HD12 LEU A 20 -3.609 -0.294 -6.294 1.00 1.49 H new ATOM 0 HD13 LEU A 20 -5.153 0.421 -6.817 1.00 1.49 H new ATOM 0 HD21 LEU A 20 -6.863 -0.659 -4.519 1.00 1.06 H new ATOM 0 HD22 LEU A 20 -7.300 -0.679 -6.244 1.00 1.06 H new ATOM 0 HD23 LEU A 20 -7.313 -2.191 -5.306 1.00 1.06 H new ATOM 320 N ALA A 21 -4.652 -5.269 -8.586 1.00 0.86 N ATOM 321 CA ALA A 21 -4.962 -6.094 -9.791 1.00 0.92 C ATOM 322 C ALA A 21 -5.131 -7.567 -9.399 1.00 0.65 C ATOM 323 O ALA A 21 -5.742 -8.336 -10.114 1.00 0.82 O ATOM 324 CB ALA A 21 -3.815 -5.965 -10.790 1.00 1.03 C ATOM 0 H ALA A 21 -3.678 -5.285 -8.283 1.00 0.86 H new ATOM 0 HA ALA A 21 -5.891 -5.740 -10.238 1.00 0.92 H new ATOM 0 HB1 ALA A 21 -4.033 -6.565 -11.674 1.00 1.03 H new ATOM 0 HB2 ALA A 21 -3.700 -4.920 -11.080 1.00 1.03 H new ATOM 0 HB3 ALA A 21 -2.891 -6.318 -10.331 1.00 1.03 H new ATOM 330 N GLU A 22 -4.585 -7.927 -8.270 1.00 0.39 N ATOM 331 CA GLU A 22 -4.704 -9.345 -7.818 1.00 0.44 C ATOM 332 C GLU A 22 -6.056 -9.570 -7.132 1.00 0.68 C ATOM 333 O GLU A 22 -6.705 -10.572 -7.349 1.00 1.09 O ATOM 334 CB GLU A 22 -3.572 -9.652 -6.834 1.00 0.54 C ATOM 335 CG GLU A 22 -3.330 -11.166 -6.785 1.00 0.93 C ATOM 336 CD GLU A 22 -4.579 -11.865 -6.244 1.00 2.82 C ATOM 337 OE1 GLU A 22 -4.963 -11.510 -5.141 1.00 3.53 O ATOM 338 OE2 GLU A 22 -5.078 -12.715 -6.964 1.00 3.94 O ATOM 0 H GLU A 22 -4.067 -7.309 -7.646 1.00 0.39 H new ATOM 0 HA GLU A 22 -4.635 -10.006 -8.682 1.00 0.44 H new ATOM 0 HB2 GLU A 22 -2.661 -9.138 -7.140 1.00 0.54 H new ATOM 0 HB3 GLU A 22 -3.829 -9.282 -5.841 1.00 0.54 H new ATOM 0 HG2 GLU A 22 -3.094 -11.540 -7.781 1.00 0.93 H new ATOM 0 HG3 GLU A 22 -2.472 -11.388 -6.150 1.00 0.93 H new ATOM 345 N HIS A 23 -6.451 -8.629 -6.317 1.00 0.53 N ATOM 346 CA HIS A 23 -7.757 -8.774 -5.610 1.00 0.80 C ATOM 347 C HIS A 23 -8.859 -8.032 -6.372 1.00 1.08 C ATOM 348 O HIS A 23 -10.031 -8.237 -6.127 1.00 1.26 O ATOM 349 CB HIS A 23 -7.631 -8.192 -4.202 1.00 0.72 C ATOM 350 CG HIS A 23 -6.367 -8.741 -3.540 1.00 0.43 C ATOM 351 ND1 HIS A 23 -6.096 -9.959 -3.407 1.00 0.61 N ATOM 352 CD2 HIS A 23 -5.304 -8.066 -2.970 1.00 0.13 C ATOM 353 CE1 HIS A 23 -4.981 -10.122 -2.818 1.00 0.60 C ATOM 354 NE2 HIS A 23 -4.403 -8.966 -2.502 1.00 0.39 N ATOM 0 H HIS A 23 -5.933 -7.775 -6.111 1.00 0.53 H new ATOM 0 HA HIS A 23 -8.018 -9.831 -5.555 1.00 0.80 H new ATOM 0 HB2 HIS A 23 -7.588 -7.104 -4.248 1.00 0.72 H new ATOM 0 HB3 HIS A 23 -8.508 -8.451 -3.609 1.00 0.72 H new ATOM 0 HD2 HIS A 23 -5.206 -6.992 -2.907 1.00 0.13 H new ATOM 0 HE1 HIS A 23 -4.552 -11.089 -2.599 1.00 0.60 H new ATOM 0 HE2 HIS A 23 -3.514 -8.800 -2.031 1.00 0.39 H new ATOM 362 N ASN A 24 -8.459 -7.183 -7.280 1.00 1.18 N ATOM 363 CA ASN A 24 -9.474 -6.419 -8.062 1.00 1.51 C ATOM 364 C ASN A 24 -10.554 -5.871 -7.124 1.00 1.31 C ATOM 365 O ASN A 24 -11.704 -6.257 -7.203 1.00 1.43 O ATOM 366 CB ASN A 24 -10.115 -7.346 -9.092 1.00 1.89 C ATOM 367 CG ASN A 24 -9.123 -7.605 -10.227 1.00 2.35 C ATOM 368 OD1 ASN A 24 -8.139 -8.297 -10.061 1.00 2.80 O ATOM 369 ND2 ASN A 24 -9.344 -7.068 -11.397 1.00 2.94 N ATOM 0 H ASN A 24 -7.485 -6.987 -7.513 1.00 1.18 H new ATOM 0 HA ASN A 24 -8.987 -5.585 -8.568 1.00 1.51 H new ATOM 0 HB2 ASN A 24 -10.402 -8.287 -8.622 1.00 1.89 H new ATOM 0 HB3 ASN A 24 -11.026 -6.896 -9.486 1.00 1.89 H new ATOM 0 HD21 ASN A 24 -8.692 -7.231 -12.164 1.00 2.94 H new ATOM 0 HD22 ASN A 24 -10.169 -6.486 -11.543 1.00 2.94 H new ATOM 376 N LEU A 25 -10.160 -4.981 -6.255 1.00 1.10 N ATOM 377 CA LEU A 25 -11.148 -4.400 -5.302 1.00 0.89 C ATOM 378 C LEU A 25 -11.789 -3.145 -5.901 1.00 0.77 C ATOM 379 O LEU A 25 -11.122 -2.336 -6.516 1.00 0.99 O ATOM 380 CB LEU A 25 -10.430 -4.030 -4.005 1.00 1.11 C ATOM 381 CG LEU A 25 -10.286 -5.279 -3.134 1.00 1.23 C ATOM 382 CD1 LEU A 25 -8.982 -5.189 -2.342 1.00 1.53 C ATOM 383 CD2 LEU A 25 -11.462 -5.350 -2.158 1.00 1.33 C ATOM 0 H LEU A 25 -9.205 -4.633 -6.163 1.00 1.10 H new ATOM 0 HA LEU A 25 -11.929 -5.134 -5.103 1.00 0.89 H new ATOM 0 HB2 LEU A 25 -9.448 -3.611 -4.226 1.00 1.11 H new ATOM 0 HB3 LEU A 25 -10.991 -3.263 -3.471 1.00 1.11 H new ATOM 0 HG LEU A 25 -10.276 -6.169 -3.764 1.00 1.23 H new ATOM 0 HD11 LEU A 25 -8.873 -6.076 -1.719 1.00 1.53 H new ATOM 0 HD12 LEU A 25 -8.141 -5.125 -3.032 1.00 1.53 H new ATOM 0 HD13 LEU A 25 -9.001 -4.301 -1.709 1.00 1.53 H new ATOM 0 HD21 LEU A 25 -11.364 -6.239 -1.535 1.00 1.33 H new ATOM 0 HD22 LEU A 25 -11.464 -4.462 -1.526 1.00 1.33 H new ATOM 0 HD23 LEU A 25 -12.396 -5.400 -2.717 1.00 1.33 H new ATOM 395 N ASP A 26 -13.073 -3.010 -5.710 1.00 0.56 N ATOM 396 CA ASP A 26 -13.772 -1.812 -6.258 1.00 0.73 C ATOM 397 C ASP A 26 -13.869 -0.726 -5.181 1.00 1.04 C ATOM 398 O ASP A 26 -14.682 -0.808 -4.283 1.00 1.14 O ATOM 399 CB ASP A 26 -15.176 -2.211 -6.712 1.00 0.62 C ATOM 400 CG ASP A 26 -15.477 -1.552 -8.059 1.00 1.30 C ATOM 401 OD1 ASP A 26 -15.119 -0.393 -8.186 1.00 2.27 O ATOM 402 OD2 ASP A 26 -16.047 -2.245 -8.885 1.00 1.67 O ATOM 0 H ASP A 26 -13.664 -3.670 -5.204 1.00 0.56 H new ATOM 0 HA ASP A 26 -13.209 -1.422 -7.106 1.00 0.73 H new ATOM 0 HB2 ASP A 26 -15.248 -3.295 -6.800 1.00 0.62 H new ATOM 0 HB3 ASP A 26 -15.912 -1.902 -5.970 1.00 0.62 H new ATOM 407 N ALA A 27 -13.031 0.267 -5.296 1.00 1.23 N ATOM 408 CA ALA A 27 -13.053 1.367 -4.287 1.00 1.53 C ATOM 409 C ALA A 27 -14.492 1.830 -4.029 1.00 1.73 C ATOM 410 O ALA A 27 -14.762 2.499 -3.051 1.00 1.90 O ATOM 411 CB ALA A 27 -12.232 2.540 -4.815 1.00 2.01 C ATOM 0 H ALA A 27 -12.337 0.366 -6.037 1.00 1.23 H new ATOM 0 HA ALA A 27 -12.630 1.001 -3.351 1.00 1.53 H new ATOM 0 HB1 ALA A 27 -12.242 3.349 -4.085 1.00 2.01 H new ATOM 0 HB2 ALA A 27 -11.205 2.218 -4.985 1.00 2.01 H new ATOM 0 HB3 ALA A 27 -12.662 2.892 -5.753 1.00 2.01 H new ATOM 417 N SER A 28 -15.381 1.468 -4.912 1.00 1.81 N ATOM 418 CA SER A 28 -16.804 1.883 -4.731 1.00 2.19 C ATOM 419 C SER A 28 -17.238 1.668 -3.278 1.00 1.99 C ATOM 420 O SER A 28 -18.178 2.280 -2.813 1.00 2.34 O ATOM 421 CB SER A 28 -17.691 1.049 -5.656 1.00 2.50 C ATOM 422 OG SER A 28 -17.841 -0.186 -4.971 1.00 3.82 O ATOM 0 H SER A 28 -15.189 0.909 -5.743 1.00 1.81 H new ATOM 0 HA SER A 28 -16.902 2.941 -4.975 1.00 2.19 H new ATOM 0 HB2 SER A 28 -18.654 1.530 -5.825 1.00 2.50 H new ATOM 0 HB3 SER A 28 -17.228 0.909 -6.633 1.00 2.50 H new ATOM 0 HG SER A 28 -16.959 -0.523 -4.707 1.00 3.82 H new ATOM 428 N ALA A 29 -16.533 0.802 -2.595 1.00 1.53 N ATOM 429 CA ALA A 29 -16.884 0.521 -1.167 1.00 1.49 C ATOM 430 C ALA A 29 -15.844 1.144 -0.227 1.00 1.14 C ATOM 431 O ALA A 29 -16.113 1.362 0.938 1.00 1.25 O ATOM 432 CB ALA A 29 -16.914 -0.991 -0.955 1.00 1.53 C ATOM 0 H ALA A 29 -15.736 0.280 -2.959 1.00 1.53 H new ATOM 0 HA ALA A 29 -17.860 0.954 -0.946 1.00 1.49 H new ATOM 0 HB1 ALA A 29 -17.169 -1.208 0.082 1.00 1.53 H new ATOM 0 HB2 ALA A 29 -17.661 -1.436 -1.613 1.00 1.53 H new ATOM 0 HB3 ALA A 29 -15.934 -1.410 -1.183 1.00 1.53 H new ATOM 438 N ILE A 30 -14.681 1.415 -0.753 1.00 0.82 N ATOM 439 CA ILE A 30 -13.612 2.016 0.101 1.00 0.53 C ATOM 440 C ILE A 30 -13.589 3.540 -0.072 1.00 0.51 C ATOM 441 O ILE A 30 -14.134 4.065 -1.024 1.00 1.11 O ATOM 442 CB ILE A 30 -12.255 1.434 -0.319 1.00 0.41 C ATOM 443 CG1 ILE A 30 -12.382 -0.095 -0.442 1.00 0.43 C ATOM 444 CG2 ILE A 30 -11.171 1.796 0.722 1.00 0.35 C ATOM 445 CD1 ILE A 30 -12.954 -0.676 0.861 1.00 0.51 C ATOM 0 H ILE A 30 -14.424 1.249 -1.726 1.00 0.82 H new ATOM 0 HA ILE A 30 -13.813 1.784 1.147 1.00 0.53 H new ATOM 0 HB ILE A 30 -11.961 1.855 -1.280 1.00 0.41 H new ATOM 0 HG12 ILE A 30 -13.031 -0.349 -1.280 1.00 0.43 H new ATOM 0 HG13 ILE A 30 -11.406 -0.535 -0.650 1.00 0.43 H new ATOM 0 HG21 ILE A 30 -10.214 1.377 0.411 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -11.085 2.880 0.796 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -11.448 1.387 1.693 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.042 -1.759 0.769 1.00 0.51 H new ATOM 0 HD12 ILE A 30 -12.288 -0.435 1.690 1.00 0.51 H new ATOM 0 HD13 ILE A 30 -13.938 -0.247 1.050 1.00 0.51 H new ATOM 457 N LYS A 31 -12.954 4.213 0.855 1.00 0.37 N ATOM 458 CA LYS A 31 -12.878 5.704 0.772 1.00 0.37 C ATOM 459 C LYS A 31 -11.449 6.145 0.435 1.00 0.69 C ATOM 460 O LYS A 31 -10.497 5.682 1.032 1.00 0.90 O ATOM 461 CB LYS A 31 -13.285 6.294 2.120 1.00 0.66 C ATOM 462 CG LYS A 31 -14.131 7.546 1.884 1.00 1.81 C ATOM 463 CD LYS A 31 -14.196 8.357 3.179 1.00 2.43 C ATOM 464 CE LYS A 31 -15.066 9.594 2.953 1.00 3.46 C ATOM 465 NZ LYS A 31 -14.352 10.822 3.403 1.00 4.75 N ATOM 0 H LYS A 31 -12.487 3.797 1.661 1.00 0.37 H new ATOM 0 HA LYS A 31 -13.549 6.056 -0.012 1.00 0.37 H new ATOM 0 HB2 LYS A 31 -13.850 5.561 2.696 1.00 0.66 H new ATOM 0 HB3 LYS A 31 -12.399 6.543 2.704 1.00 0.66 H new ATOM 0 HG2 LYS A 31 -13.698 8.148 1.085 1.00 1.81 H new ATOM 0 HG3 LYS A 31 -15.135 7.267 1.564 1.00 1.81 H new ATOM 0 HD2 LYS A 31 -14.610 7.748 3.983 1.00 2.43 H new ATOM 0 HD3 LYS A 31 -13.194 8.654 3.487 1.00 2.43 H new ATOM 0 HE2 LYS A 31 -15.319 9.680 1.896 1.00 3.46 H new ATOM 0 HE3 LYS A 31 -16.004 9.491 3.498 1.00 3.46 H new ATOM 0 HZ1 LYS A 31 -14.956 11.653 3.243 1.00 4.75 H new ATOM 0 HZ2 LYS A 31 -14.132 10.744 4.416 1.00 4.75 H new ATOM 0 HZ3 LYS A 31 -13.469 10.927 2.864 1.00 4.75 H new ATOM 479 N GLY A 32 -11.331 7.032 -0.514 1.00 0.95 N ATOM 480 CA GLY A 32 -9.974 7.515 -0.901 1.00 1.39 C ATOM 481 C GLY A 32 -9.637 8.805 -0.149 1.00 1.42 C ATOM 482 O GLY A 32 -10.037 9.880 -0.551 1.00 1.57 O ATOM 0 H GLY A 32 -12.107 7.441 -1.035 1.00 0.95 H new ATOM 0 HA2 GLY A 32 -9.230 6.750 -0.677 1.00 1.39 H new ATOM 0 HA3 GLY A 32 -9.936 7.692 -1.976 1.00 1.39 H new ATOM 486 N THR A 33 -8.906 8.665 0.927 1.00 1.34 N ATOM 487 CA THR A 33 -8.528 9.870 1.732 1.00 1.43 C ATOM 488 C THR A 33 -7.037 10.176 1.561 1.00 1.59 C ATOM 489 O THR A 33 -6.333 10.402 2.525 1.00 1.48 O ATOM 490 CB THR A 33 -8.829 9.595 3.208 1.00 1.34 C ATOM 491 OG1 THR A 33 -8.388 8.258 3.426 1.00 1.23 O ATOM 492 CG2 THR A 33 -10.331 9.573 3.478 1.00 1.32 C ATOM 0 H THR A 33 -8.556 7.776 1.283 1.00 1.34 H new ATOM 0 HA THR A 33 -9.103 10.730 1.387 1.00 1.43 H new ATOM 0 HB THR A 33 -8.359 10.356 3.831 1.00 1.34 H new ATOM 0 HG1 THR A 33 -8.549 8.009 4.360 1.00 1.23 H new ATOM 0 HG21 THR A 33 -10.508 9.375 4.535 1.00 1.32 H new ATOM 0 HG22 THR A 33 -10.763 10.538 3.212 1.00 1.32 H new ATOM 0 HG23 THR A 33 -10.797 8.790 2.880 1.00 1.32 H new ATOM 500 N GLY A 34 -6.586 10.173 0.336 1.00 2.21 N ATOM 501 CA GLY A 34 -5.146 10.466 0.085 1.00 2.39 C ATOM 502 C GLY A 34 -4.919 11.977 0.001 1.00 2.56 C ATOM 503 O GLY A 34 -5.855 12.740 -0.133 1.00 2.84 O ATOM 0 H GLY A 34 -7.146 9.982 -0.495 1.00 2.21 H new ATOM 0 HA2 GLY A 34 -4.537 10.044 0.884 1.00 2.39 H new ATOM 0 HA3 GLY A 34 -4.828 9.991 -0.843 1.00 2.39 H new ATOM 507 N VAL A 35 -3.680 12.380 0.079 1.00 2.40 N ATOM 508 CA VAL A 35 -3.383 13.841 0.004 1.00 2.56 C ATOM 509 C VAL A 35 -4.009 14.439 -1.260 1.00 2.77 C ATOM 510 O VAL A 35 -4.460 15.568 -1.257 1.00 2.49 O ATOM 511 CB VAL A 35 -1.870 14.048 -0.032 1.00 2.58 C ATOM 512 CG1 VAL A 35 -1.568 15.454 -0.556 1.00 3.18 C ATOM 513 CG2 VAL A 35 -1.307 13.908 1.384 1.00 2.26 C ATOM 0 H VAL A 35 -2.869 11.771 0.190 1.00 2.40 H new ATOM 0 HA VAL A 35 -3.803 14.337 0.879 1.00 2.56 H new ATOM 0 HB VAL A 35 -1.413 13.304 -0.684 1.00 2.58 H new ATOM 0 HG11 VAL A 35 -0.489 15.608 -0.584 1.00 3.18 H new ATOM 0 HG12 VAL A 35 -1.976 15.563 -1.561 1.00 3.18 H new ATOM 0 HG13 VAL A 35 -2.023 16.193 0.103 1.00 3.18 H new ATOM 0 HG21 VAL A 35 -0.227 14.055 1.362 1.00 2.26 H new ATOM 0 HG22 VAL A 35 -1.762 14.657 2.032 1.00 2.26 H new ATOM 0 HG23 VAL A 35 -1.530 12.912 1.767 1.00 2.26 H new ATOM 523 N GLY A 36 -4.021 13.666 -2.313 1.00 3.67 N ATOM 524 CA GLY A 36 -4.611 14.165 -3.589 1.00 3.94 C ATOM 525 C GLY A 36 -6.028 13.617 -3.774 1.00 3.29 C ATOM 526 O GLY A 36 -6.718 13.974 -4.708 1.00 3.32 O ATOM 0 H GLY A 36 -3.650 12.716 -2.345 1.00 3.67 H new ATOM 0 HA2 GLY A 36 -4.634 15.255 -3.584 1.00 3.94 H new ATOM 0 HA3 GLY A 36 -3.985 13.863 -4.429 1.00 3.94 H new ATOM 530 N GLY A 37 -6.432 12.759 -2.877 1.00 2.75 N ATOM 531 CA GLY A 37 -7.801 12.179 -2.985 1.00 2.17 C ATOM 532 C GLY A 37 -7.759 10.832 -3.711 1.00 2.03 C ATOM 533 O GLY A 37 -8.764 10.360 -4.206 1.00 1.78 O ATOM 0 H GLY A 37 -5.880 12.437 -2.082 1.00 2.75 H new ATOM 0 HA2 GLY A 37 -8.226 12.049 -1.990 1.00 2.17 H new ATOM 0 HA3 GLY A 37 -8.452 12.868 -3.523 1.00 2.17 H new ATOM 537 N ARG A 38 -6.597 10.239 -3.758 1.00 2.41 N ATOM 538 CA ARG A 38 -6.475 8.921 -4.450 1.00 2.56 C ATOM 539 C ARG A 38 -6.735 7.779 -3.463 1.00 2.19 C ATOM 540 O ARG A 38 -7.173 8.003 -2.352 1.00 2.31 O ATOM 541 CB ARG A 38 -5.066 8.785 -5.026 1.00 3.31 C ATOM 542 CG ARG A 38 -4.050 8.821 -3.883 1.00 2.19 C ATOM 543 CD ARG A 38 -2.727 9.387 -4.406 1.00 2.32 C ATOM 544 NE ARG A 38 -1.615 8.883 -3.554 1.00 2.40 N ATOM 545 CZ ARG A 38 -0.673 8.157 -4.093 1.00 3.50 C ATOM 546 NH1 ARG A 38 -0.990 7.015 -4.636 1.00 4.66 N ATOM 547 NH2 ARG A 38 0.555 8.600 -4.071 1.00 3.74 N ATOM 0 H ARG A 38 -5.735 10.604 -3.353 1.00 2.41 H new ATOM 0 HA ARG A 38 -7.211 8.868 -5.252 1.00 2.56 H new ATOM 0 HB2 ARG A 38 -4.975 7.851 -5.580 1.00 3.31 H new ATOM 0 HB3 ARG A 38 -4.868 9.593 -5.730 1.00 3.31 H new ATOM 0 HG2 ARG A 38 -4.425 9.437 -3.066 1.00 2.19 H new ATOM 0 HG3 ARG A 38 -3.898 7.818 -3.483 1.00 2.19 H new ATOM 0 HD2 ARG A 38 -2.573 9.088 -5.443 1.00 2.32 H new ATOM 0 HD3 ARG A 38 -2.750 10.477 -4.389 1.00 2.32 H new ATOM 0 HE ARG A 38 -1.589 9.103 -2.558 1.00 2.40 H new ATOM 0 HH11 ARG A 38 -1.961 6.702 -4.635 1.00 4.66 H new ATOM 0 HH12 ARG A 38 -0.267 6.435 -5.062 1.00 4.66 H new ATOM 0 HH21 ARG A 38 0.765 9.499 -3.638 1.00 3.74 H new ATOM 0 HH22 ARG A 38 1.304 8.047 -4.487 1.00 3.74 H new ATOM 561 N LEU A 39 -6.459 6.576 -3.893 1.00 1.87 N ATOM 562 CA LEU A 39 -6.686 5.405 -2.995 1.00 1.49 C ATOM 563 C LEU A 39 -5.376 4.994 -2.316 1.00 1.27 C ATOM 564 O LEU A 39 -4.393 4.718 -2.976 1.00 1.35 O ATOM 565 CB LEU A 39 -7.214 4.236 -3.822 1.00 1.44 C ATOM 566 CG LEU A 39 -7.758 3.162 -2.878 1.00 1.12 C ATOM 567 CD1 LEU A 39 -9.264 3.357 -2.711 1.00 1.83 C ATOM 568 CD2 LEU A 39 -7.492 1.780 -3.477 1.00 1.16 C ATOM 0 H LEU A 39 -6.090 6.354 -4.818 1.00 1.87 H new ATOM 0 HA LEU A 39 -7.411 5.679 -2.228 1.00 1.49 H new ATOM 0 HB2 LEU A 39 -7.999 4.577 -4.497 1.00 1.44 H new ATOM 0 HB3 LEU A 39 -6.418 3.824 -4.442 1.00 1.44 H new ATOM 0 HG LEU A 39 -7.266 3.242 -1.909 1.00 1.12 H new ATOM 0 HD11 LEU A 39 -9.657 2.594 -2.039 1.00 1.83 H new ATOM 0 HD12 LEU A 39 -9.459 4.344 -2.293 1.00 1.83 H new ATOM 0 HD13 LEU A 39 -9.752 3.272 -3.682 1.00 1.83 H new ATOM 0 HD21 LEU A 39 -7.878 1.012 -2.807 1.00 1.16 H new ATOM 0 HD22 LEU A 39 -7.989 1.701 -4.444 1.00 1.16 H new ATOM 0 HD23 LEU A 39 -6.419 1.641 -3.608 1.00 1.16 H new ATOM 580 N THR A 40 -5.395 4.962 -1.009 1.00 1.08 N ATOM 581 CA THR A 40 -4.163 4.568 -0.261 1.00 0.90 C ATOM 582 C THR A 40 -4.280 3.117 0.219 1.00 0.75 C ATOM 583 O THR A 40 -5.365 2.625 0.454 1.00 0.82 O ATOM 584 CB THR A 40 -3.993 5.495 0.945 1.00 1.04 C ATOM 585 OG1 THR A 40 -5.116 5.219 1.776 1.00 1.21 O ATOM 586 CG2 THR A 40 -4.135 6.962 0.547 1.00 1.25 C ATOM 0 H THR A 40 -6.203 5.190 -0.430 1.00 1.08 H new ATOM 0 HA THR A 40 -3.298 4.653 -0.919 1.00 0.90 H new ATOM 0 HB THR A 40 -3.016 5.336 1.403 1.00 1.04 H new ATOM 0 HG1 THR A 40 -5.075 5.780 2.578 1.00 1.21 H new ATOM 0 HG21 THR A 40 -4.009 7.592 1.428 1.00 1.25 H new ATOM 0 HG22 THR A 40 -3.374 7.214 -0.192 1.00 1.25 H new ATOM 0 HG23 THR A 40 -5.124 7.129 0.120 1.00 1.25 H new ATOM 594 N ARG A 41 -3.158 2.463 0.354 1.00 1.10 N ATOM 595 CA ARG A 41 -3.187 1.042 0.815 1.00 0.94 C ATOM 596 C ARG A 41 -3.616 0.967 2.286 1.00 0.69 C ATOM 597 O ARG A 41 -3.979 -0.084 2.776 1.00 0.42 O ATOM 598 CB ARG A 41 -1.790 0.438 0.660 1.00 1.15 C ATOM 599 CG ARG A 41 -1.896 -1.088 0.692 1.00 1.19 C ATOM 600 CD ARG A 41 -0.689 -1.660 1.440 1.00 0.84 C ATOM 601 NE ARG A 41 -0.774 -3.147 1.436 1.00 1.78 N ATOM 602 CZ ARG A 41 0.248 -3.850 1.842 1.00 1.87 C ATOM 603 NH1 ARG A 41 0.937 -3.427 2.868 1.00 0.88 N ATOM 604 NH2 ARG A 41 0.549 -4.949 1.209 1.00 3.12 N ATOM 0 H ARG A 41 -2.231 2.845 0.168 1.00 1.10 H new ATOM 0 HA ARG A 41 -3.904 0.485 0.212 1.00 0.94 H new ATOM 0 HB2 ARG A 41 -1.342 0.764 -0.279 1.00 1.15 H new ATOM 0 HB3 ARG A 41 -1.139 0.786 1.462 1.00 1.15 H new ATOM 0 HG2 ARG A 41 -2.821 -1.390 1.184 1.00 1.19 H new ATOM 0 HG3 ARG A 41 -1.931 -1.484 -0.323 1.00 1.19 H new ATOM 0 HD2 ARG A 41 0.237 -1.335 0.965 1.00 0.84 H new ATOM 0 HD3 ARG A 41 -0.670 -1.287 2.464 1.00 0.84 H new ATOM 0 HE ARG A 41 -1.624 -3.612 1.118 1.00 1.78 H new ATOM 0 HH11 ARG A 41 0.673 -2.561 3.337 1.00 0.88 H new ATOM 0 HH12 ARG A 41 1.739 -3.963 3.200 1.00 0.88 H new ATOM 0 HH21 ARG A 41 -0.011 -5.247 0.410 1.00 3.12 H new ATOM 0 HH22 ARG A 41 1.344 -5.511 1.512 1.00 3.12 H new ATOM 618 N GLU A 42 -3.565 2.083 2.957 1.00 0.87 N ATOM 619 CA GLU A 42 -3.963 2.093 4.396 1.00 0.82 C ATOM 620 C GLU A 42 -5.476 1.892 4.531 1.00 0.50 C ATOM 621 O GLU A 42 -5.974 1.618 5.605 1.00 0.46 O ATOM 622 CB GLU A 42 -3.570 3.433 5.014 1.00 1.19 C ATOM 623 CG GLU A 42 -3.022 3.194 6.423 1.00 0.62 C ATOM 624 CD GLU A 42 -1.599 2.643 6.324 1.00 1.35 C ATOM 625 OE1 GLU A 42 -1.492 1.429 6.265 1.00 2.26 O ATOM 626 OE2 GLU A 42 -0.699 3.466 6.314 1.00 2.14 O ATOM 0 H GLU A 42 -3.268 2.982 2.578 1.00 0.87 H new ATOM 0 HA GLU A 42 -3.454 1.280 4.914 1.00 0.82 H new ATOM 0 HB2 GLU A 42 -2.819 3.926 4.397 1.00 1.19 H new ATOM 0 HB3 GLU A 42 -4.434 4.096 5.054 1.00 1.19 H new ATOM 0 HG2 GLU A 42 -3.025 4.125 6.990 1.00 0.62 H new ATOM 0 HG3 GLU A 42 -3.660 2.492 6.960 1.00 0.62 H new ATOM 633 N ASP A 43 -6.175 2.034 3.438 1.00 0.44 N ATOM 634 CA ASP A 43 -7.656 1.859 3.486 1.00 0.18 C ATOM 635 C ASP A 43 -8.040 0.440 3.056 1.00 0.15 C ATOM 636 O ASP A 43 -8.787 -0.236 3.735 1.00 0.52 O ATOM 637 CB ASP A 43 -8.306 2.872 2.546 1.00 0.45 C ATOM 638 CG ASP A 43 -8.167 4.273 3.142 1.00 0.47 C ATOM 639 OD1 ASP A 43 -7.451 4.374 4.124 1.00 0.74 O ATOM 640 OD2 ASP A 43 -8.785 5.164 2.582 1.00 1.45 O ATOM 0 H ASP A 43 -5.790 2.262 2.521 1.00 0.44 H new ATOM 0 HA ASP A 43 -8.004 2.019 4.507 1.00 0.18 H new ATOM 0 HB2 ASP A 43 -7.832 2.832 1.565 1.00 0.45 H new ATOM 0 HB3 ASP A 43 -9.358 2.628 2.401 1.00 0.45 H new ATOM 645 N VAL A 44 -7.520 0.017 1.938 1.00 0.29 N ATOM 646 CA VAL A 44 -7.847 -1.355 1.451 1.00 0.19 C ATOM 647 C VAL A 44 -7.459 -2.398 2.505 1.00 0.09 C ATOM 648 O VAL A 44 -8.120 -3.405 2.658 1.00 0.27 O ATOM 649 CB VAL A 44 -7.078 -1.626 0.160 1.00 0.25 C ATOM 650 CG1 VAL A 44 -6.990 -3.136 -0.062 1.00 0.86 C ATOM 651 CG2 VAL A 44 -7.820 -0.985 -1.015 1.00 1.04 C ATOM 0 H VAL A 44 -6.889 0.555 1.344 1.00 0.29 H new ATOM 0 HA VAL A 44 -8.919 -1.423 1.266 1.00 0.19 H new ATOM 0 HB VAL A 44 -6.075 -1.204 0.233 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -6.442 -3.337 -0.982 1.00 0.86 H new ATOM 0 HG12 VAL A 44 -6.471 -3.598 0.778 1.00 0.86 H new ATOM 0 HG13 VAL A 44 -7.995 -3.551 -0.140 1.00 0.86 H new ATOM 0 HG21 VAL A 44 -7.274 -1.177 -1.938 1.00 1.04 H new ATOM 0 HG22 VAL A 44 -8.820 -1.412 -1.090 1.00 1.04 H new ATOM 0 HG23 VAL A 44 -7.895 0.090 -0.855 1.00 1.04 H new ATOM 661 N GLU A 45 -6.391 -2.132 3.208 1.00 0.08 N ATOM 662 CA GLU A 45 -5.944 -3.098 4.257 1.00 0.17 C ATOM 663 C GLU A 45 -7.062 -3.332 5.277 1.00 0.35 C ATOM 664 O GLU A 45 -7.307 -4.448 5.691 1.00 0.50 O ATOM 665 CB GLU A 45 -4.717 -2.528 4.968 1.00 0.27 C ATOM 666 CG GLU A 45 -4.084 -3.619 5.836 1.00 0.33 C ATOM 667 CD GLU A 45 -3.384 -4.640 4.935 1.00 1.75 C ATOM 668 OE1 GLU A 45 -2.443 -4.227 4.279 1.00 2.55 O ATOM 669 OE2 GLU A 45 -3.831 -5.775 4.956 1.00 2.65 O ATOM 0 H GLU A 45 -5.813 -1.298 3.105 1.00 0.08 H new ATOM 0 HA GLU A 45 -5.696 -4.049 3.786 1.00 0.17 H new ATOM 0 HB2 GLU A 45 -3.995 -2.164 4.237 1.00 0.27 H new ATOM 0 HB3 GLU A 45 -5.003 -1.676 5.585 1.00 0.27 H new ATOM 0 HG2 GLU A 45 -3.368 -3.178 6.530 1.00 0.33 H new ATOM 0 HG3 GLU A 45 -4.849 -4.111 6.437 1.00 0.33 H new ATOM 676 N LYS A 46 -7.717 -2.271 5.660 1.00 0.41 N ATOM 677 CA LYS A 46 -8.821 -2.409 6.654 1.00 0.58 C ATOM 678 C LYS A 46 -9.996 -3.183 6.044 1.00 0.46 C ATOM 679 O LYS A 46 -10.999 -3.403 6.693 1.00 0.56 O ATOM 680 CB LYS A 46 -9.292 -1.016 7.070 1.00 0.70 C ATOM 681 CG LYS A 46 -8.517 -0.574 8.314 1.00 1.16 C ATOM 682 CD LYS A 46 -8.542 0.953 8.404 1.00 1.92 C ATOM 683 CE LYS A 46 -9.993 1.437 8.357 1.00 2.32 C ATOM 684 NZ LYS A 46 -10.847 0.611 9.257 1.00 1.83 N ATOM 0 H LYS A 46 -7.539 -1.322 5.332 1.00 0.41 H new ATOM 0 HA LYS A 46 -8.454 -2.957 7.522 1.00 0.58 H new ATOM 0 HB2 LYS A 46 -9.133 -0.307 6.257 1.00 0.70 H new ATOM 0 HB3 LYS A 46 -10.362 -1.028 7.278 1.00 0.70 H new ATOM 0 HG2 LYS A 46 -8.961 -1.011 9.208 1.00 1.16 H new ATOM 0 HG3 LYS A 46 -7.488 -0.931 8.262 1.00 1.16 H new ATOM 0 HD2 LYS A 46 -8.066 1.282 9.328 1.00 1.92 H new ATOM 0 HD3 LYS A 46 -7.975 1.387 7.581 1.00 1.92 H new ATOM 0 HE2 LYS A 46 -10.044 2.484 8.657 1.00 2.32 H new ATOM 0 HE3 LYS A 46 -10.369 1.380 7.335 1.00 2.32 H new ATOM 0 HZ1 LYS A 46 -11.633 1.189 9.617 1.00 1.83 H new ATOM 0 HZ2 LYS A 46 -11.228 -0.199 8.727 1.00 1.83 H new ATOM 0 HZ3 LYS A 46 -10.277 0.265 10.055 1.00 1.83 H new ATOM 698 N HIS A 47 -9.843 -3.580 4.809 1.00 0.31 N ATOM 699 CA HIS A 47 -10.945 -4.338 4.142 1.00 0.31 C ATOM 700 C HIS A 47 -10.666 -5.845 4.198 1.00 0.66 C ATOM 701 O HIS A 47 -11.548 -6.631 4.480 1.00 1.07 O ATOM 702 CB HIS A 47 -11.047 -3.891 2.684 1.00 0.29 C ATOM 703 CG HIS A 47 -12.498 -4.025 2.217 1.00 0.30 C ATOM 704 ND1 HIS A 47 -13.484 -3.487 2.775 1.00 0.45 N ATOM 705 CD2 HIS A 47 -13.021 -4.726 1.148 1.00 0.35 C ATOM 706 CE1 HIS A 47 -14.567 -3.772 2.174 1.00 0.55 C ATOM 707 NE2 HIS A 47 -14.368 -4.561 1.121 1.00 0.51 N ATOM 0 H HIS A 47 -9.014 -3.416 4.238 1.00 0.31 H new ATOM 0 HA HIS A 47 -11.883 -4.137 4.660 1.00 0.31 H new ATOM 0 HB2 HIS A 47 -10.714 -2.858 2.584 1.00 0.29 H new ATOM 0 HB3 HIS A 47 -10.393 -4.499 2.058 1.00 0.29 H new ATOM 0 HD2 HIS A 47 -12.449 -5.313 0.445 1.00 0.35 H new ATOM 0 HE1 HIS A 47 -15.538 -3.415 2.483 1.00 0.55 H new ATOM 0 HE2 HIS A 47 -15.050 -4.942 0.465 1.00 0.51 H new ATOM 715 N LEU A 48 -9.444 -6.215 3.926 1.00 0.50 N ATOM 716 CA LEU A 48 -9.094 -7.667 3.960 1.00 0.84 C ATOM 717 C LEU A 48 -8.989 -8.154 5.409 1.00 1.22 C ATOM 718 O LEU A 48 -9.065 -9.337 5.675 1.00 1.14 O ATOM 719 CB LEU A 48 -7.755 -7.875 3.255 1.00 0.51 C ATOM 720 CG LEU A 48 -7.936 -7.643 1.753 1.00 0.74 C ATOM 721 CD1 LEU A 48 -6.661 -7.021 1.182 1.00 0.66 C ATOM 722 CD2 LEU A 48 -8.194 -8.984 1.064 1.00 1.01 C ATOM 0 H LEU A 48 -8.680 -5.584 3.684 1.00 0.50 H new ATOM 0 HA LEU A 48 -9.874 -8.235 3.454 1.00 0.84 H new ATOM 0 HB2 LEU A 48 -7.010 -7.187 3.654 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -7.387 -8.885 3.438 1.00 0.51 H new ATOM 0 HG LEU A 48 -8.779 -6.974 1.583 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -6.785 -6.854 0.112 1.00 0.66 H new ATOM 0 HD12 LEU A 48 -6.467 -6.070 1.678 1.00 0.66 H new ATOM 0 HD13 LEU A 48 -5.821 -7.695 1.349 1.00 0.66 H new ATOM 0 HD21 LEU A 48 -8.324 -8.824 -0.006 1.00 1.01 H new ATOM 0 HD22 LEU A 48 -7.346 -9.648 1.232 1.00 1.01 H new ATOM 0 HD23 LEU A 48 -9.096 -9.437 1.475 1.00 1.01 H new ATOM 734 N ALA A 49 -8.819 -7.230 6.314 1.00 2.22 N ATOM 735 CA ALA A 49 -8.706 -7.622 7.750 1.00 2.85 C ATOM 736 C ALA A 49 -10.067 -8.087 8.280 1.00 2.77 C ATOM 737 O ALA A 49 -11.099 -7.735 7.743 1.00 3.04 O ATOM 738 CB ALA A 49 -8.228 -6.420 8.561 1.00 4.40 C ATOM 0 H ALA A 49 -8.754 -6.230 6.126 1.00 2.22 H new ATOM 0 HA ALA A 49 -7.993 -8.441 7.843 1.00 2.85 H new ATOM 0 HB1 ALA A 49 -8.143 -6.700 9.611 1.00 4.40 H new ATOM 0 HB2 ALA A 49 -7.255 -6.096 8.192 1.00 4.40 H new ATOM 0 HB3 ALA A 49 -8.944 -5.605 8.459 1.00 4.40 H new ATOM 744 N LYS A 50 -10.039 -8.870 9.323 1.00 2.93 N ATOM 745 CA LYS A 50 -11.323 -9.368 9.902 1.00 3.40 C ATOM 746 C LYS A 50 -12.154 -8.194 10.428 1.00 4.69 C ATOM 747 O LYS A 50 -13.268 -8.373 10.880 1.00 5.43 O ATOM 748 CB LYS A 50 -11.015 -10.329 11.049 1.00 3.56 C ATOM 749 CG LYS A 50 -10.361 -11.591 10.484 1.00 2.79 C ATOM 750 CD LYS A 50 -10.085 -12.568 11.630 1.00 3.66 C ATOM 751 CE LYS A 50 -9.757 -13.945 11.047 1.00 3.66 C ATOM 752 NZ LYS A 50 -8.554 -13.866 10.171 1.00 3.15 N ATOM 0 H LYS A 50 -9.193 -9.185 9.797 1.00 2.93 H new ATOM 0 HA LYS A 50 -11.891 -9.884 9.128 1.00 3.40 H new ATOM 0 HB2 LYS A 50 -10.351 -9.853 11.771 1.00 3.56 H new ATOM 0 HB3 LYS A 50 -11.931 -10.586 11.580 1.00 3.56 H new ATOM 0 HG2 LYS A 50 -11.014 -12.054 9.744 1.00 2.79 H new ATOM 0 HG3 LYS A 50 -9.432 -11.337 9.974 1.00 2.79 H new ATOM 0 HD2 LYS A 50 -9.254 -12.209 12.238 1.00 3.66 H new ATOM 0 HD3 LYS A 50 -10.954 -12.634 12.285 1.00 3.66 H new ATOM 0 HE2 LYS A 50 -9.581 -14.656 11.854 1.00 3.66 H new ATOM 0 HE3 LYS A 50 -10.607 -14.317 10.475 1.00 3.66 H new ATOM 0 HZ1 LYS A 50 -8.203 -14.825 9.975 1.00 3.15 H new ATOM 0 HZ2 LYS A 50 -8.806 -13.400 9.276 1.00 3.15 H new ATOM 0 HZ3 LYS A 50 -7.812 -13.317 10.650 1.00 3.15 H new ATOM 766 N ALA A 51 -11.596 -7.016 10.356 1.00 5.20 N ATOM 767 CA ALA A 51 -12.340 -5.820 10.848 1.00 6.69 C ATOM 768 C ALA A 51 -13.786 -5.850 10.339 1.00 7.08 C ATOM 769 O ALA A 51 -14.645 -5.501 11.132 1.00 7.93 O ATOM 770 CB ALA A 51 -11.647 -4.557 10.339 1.00 7.41 C ATOM 771 OXT ALA A 51 -13.946 -6.219 9.188 1.00 6.78 O ATOM 0 H ALA A 51 -10.666 -6.830 9.981 1.00 5.20 H new ATOM 0 HA ALA A 51 -12.350 -5.826 11.938 1.00 6.69 H new ATOM 0 HB1 ALA A 51 -12.185 -3.678 10.695 1.00 7.41 H new ATOM 0 HB2 ALA A 51 -10.622 -4.530 10.710 1.00 7.41 H new ATOM 0 HB3 ALA A 51 -11.638 -4.561 9.249 1.00 7.41 H new TER 777 ALA A 51