USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 30 THR OG1 : rot -81:sc= 1.56 USER MOD Set 1.2: A 32 TYR OH : rot 121:sc= -1.25! USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.696 USER MOD Set 2.2: A 113 ASN : amide:sc= 1.12 K(o=1.8,f=1.1) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0802 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 61:sc= 1.29 USER MOD Single : A 8 THR OG1 : rot -155:sc= -0.492 USER MOD Single : A 10 SER OG : rot 180:sc= -0.523 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00367 USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.3) USER MOD Single : A 36 GLN : amide:sc= -0.117! C(o=-0.12!,f=-6!) USER MOD Single : A 42 THR OG1 : rot 91:sc= 0.0922 USER MOD Single : A 48 ASN : amide:sc= -0.16 K(o=-0.16,f=-8.5!) USER MOD Single : A 53 SER OG : rot 170:sc= 1.17 USER MOD Single : A 54 SER OG : rot -99:sc= 0.155 USER MOD Single : A 56 THR OG1 : rot 0:sc= 1.24 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 62 SER OG : rot 91:sc= 0.285 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 120:sc= -0.339 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 120:sc= 1.36 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 55:sc= 0.211! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 119:sc= 1.24 USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.432 USER MOD Single : A 94 GLN : amide:sc= -0.81 K(o=-0.81,f=-3.1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.035 4.982 15.417 1.00 0.00 N ATOM 2 CA ALA A 1 -16.596 3.629 15.216 1.00 0.00 C ATOM 3 C ALA A 1 -15.505 2.675 14.756 1.00 0.00 C ATOM 4 O ALA A 1 -14.507 3.102 14.175 1.00 0.00 O ATOM 5 CB ALA A 1 -17.736 3.663 14.206 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.034 5.210 16.432 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.061 5.011 15.054 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.615 5.678 14.907 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.995 3.274 16.166 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.134 2.657 14.073 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.525 4.321 14.570 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.365 4.036 13.251 1.00 0.00 H new ATOM 11 N ALA A 2 -15.693 1.390 15.024 1.00 0.00 N ATOM 12 CA ALA A 2 -14.722 0.374 14.637 1.00 0.00 C ATOM 13 C ALA A 2 -14.878 0.002 13.165 1.00 0.00 C ATOM 14 O ALA A 2 -15.908 -0.543 12.764 1.00 0.00 O ATOM 15 CB ALA A 2 -14.876 -0.865 15.510 1.00 0.00 C ATOM 0 H ALA A 2 -16.512 1.025 15.510 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.724 0.787 14.782 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.144 -1.615 15.209 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.713 -0.597 16.554 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.881 -1.271 15.392 1.00 0.00 H new ATOM 21 N PRO A 3 -13.865 0.297 12.337 1.00 0.00 N ATOM 22 CA PRO A 3 -13.895 -0.019 10.917 1.00 0.00 C ATOM 23 C PRO A 3 -13.434 -1.449 10.645 1.00 0.00 C ATOM 24 O PRO A 3 -12.765 -2.063 11.475 1.00 0.00 O ATOM 25 CB PRO A 3 -12.926 0.994 10.305 1.00 0.00 C ATOM 26 CG PRO A 3 -12.001 1.407 11.410 1.00 0.00 C ATOM 27 CD PRO A 3 -12.606 0.957 12.722 1.00 0.00 C ATOM 0 HA PRO A 3 -14.900 0.041 10.499 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.371 0.551 9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.463 1.854 9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.017 0.958 11.271 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.862 2.488 11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.944 0.272 13.251 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.787 1.802 13.387 1.00 0.00 H new ATOM 35 N THR A 4 -13.787 -1.976 9.485 1.00 0.00 N ATOM 36 CA THR A 4 -13.420 -3.334 9.129 1.00 0.00 C ATOM 37 C THR A 4 -12.219 -3.355 8.186 1.00 0.00 C ATOM 38 O THR A 4 -12.316 -2.937 7.031 1.00 0.00 O ATOM 39 CB THR A 4 -14.601 -4.060 8.468 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.821 -3.698 9.132 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.412 -5.568 8.532 1.00 0.00 C ATOM 0 H THR A 4 -14.327 -1.483 8.774 1.00 0.00 H new ATOM 0 HA THR A 4 -13.150 -3.850 10.050 1.00 0.00 H new ATOM 0 HB THR A 4 -14.649 -3.762 7.421 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.574 -4.161 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.260 -6.061 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.495 -5.842 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.345 -5.882 9.574 1.00 0.00 H new ATOM 49 N ALA A 5 -11.089 -3.834 8.686 1.00 0.00 N ATOM 50 CA ALA A 5 -9.875 -3.918 7.887 1.00 0.00 C ATOM 51 C ALA A 5 -9.678 -5.345 7.384 1.00 0.00 C ATOM 52 O ALA A 5 -8.808 -6.079 7.862 1.00 0.00 O ATOM 53 CB ALA A 5 -8.671 -3.464 8.702 1.00 0.00 C ATOM 0 H ALA A 5 -10.988 -4.171 9.643 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.973 -3.257 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.771 -3.533 8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.816 -2.432 9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.564 -4.102 9.579 1.00 0.00 H new ATOM 59 N THR A 6 -10.511 -5.741 6.435 1.00 0.00 N ATOM 60 CA THR A 6 -10.449 -7.076 5.866 1.00 0.00 C ATOM 61 C THR A 6 -9.413 -7.159 4.749 1.00 0.00 C ATOM 62 O THR A 6 -9.743 -7.038 3.567 1.00 0.00 O ATOM 63 CB THR A 6 -11.831 -7.495 5.325 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.597 -6.322 4.996 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.588 -8.326 6.349 1.00 0.00 C ATOM 0 H THR A 6 -11.243 -5.151 6.041 1.00 0.00 H new ATOM 0 HA THR A 6 -10.150 -7.759 6.662 1.00 0.00 H new ATOM 0 HB THR A 6 -11.681 -8.102 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.128 -5.808 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.559 -8.608 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.017 -9.225 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.731 -7.741 7.258 1.00 0.00 H new ATOM 73 N VAL A 7 -8.159 -7.352 5.128 1.00 0.00 N ATOM 74 CA VAL A 7 -7.079 -7.450 4.159 1.00 0.00 C ATOM 75 C VAL A 7 -6.400 -8.814 4.250 1.00 0.00 C ATOM 76 O VAL A 7 -6.301 -9.399 5.329 1.00 0.00 O ATOM 77 CB VAL A 7 -6.028 -6.330 4.354 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.649 -4.962 4.109 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.403 -6.396 5.745 1.00 0.00 C ATOM 0 H VAL A 7 -7.864 -7.444 6.100 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.521 -7.331 3.170 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.235 -6.485 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.894 -4.189 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.031 -4.913 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.468 -4.803 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.669 -5.597 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.181 -6.278 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.912 -7.360 5.878 1.00 0.00 H new ATOM 89 N THR A 8 -5.953 -9.323 3.114 1.00 0.00 N ATOM 90 CA THR A 8 -5.279 -10.612 3.061 1.00 0.00 C ATOM 91 C THR A 8 -3.814 -10.441 2.673 1.00 0.00 C ATOM 92 O THR A 8 -3.502 -10.108 1.529 1.00 0.00 O ATOM 93 CB THR A 8 -5.953 -11.558 2.051 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.379 -11.447 2.161 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.533 -12.999 2.293 1.00 0.00 C ATOM 0 H THR A 8 -6.045 -8.860 2.210 1.00 0.00 H new ATOM 0 HA THR A 8 -5.347 -11.049 4.057 1.00 0.00 H new ATOM 0 HB THR A 8 -5.638 -11.270 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.797 -12.275 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.023 -13.648 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.452 -13.086 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.823 -13.298 3.300 1.00 0.00 H new ATOM 103 N PRO A 9 -2.896 -10.651 3.626 1.00 0.00 N ATOM 104 CA PRO A 9 -1.464 -10.517 3.377 1.00 0.00 C ATOM 105 C PRO A 9 -0.869 -11.736 2.667 1.00 0.00 C ATOM 106 O PRO A 9 -1.246 -12.876 2.941 1.00 0.00 O ATOM 107 CB PRO A 9 -0.885 -10.378 4.782 1.00 0.00 C ATOM 108 CG PRO A 9 -1.821 -11.136 5.660 1.00 0.00 C ATOM 109 CD PRO A 9 -3.185 -11.027 5.027 1.00 0.00 C ATOM 0 HA PRO A 9 -1.240 -9.679 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.124 -10.786 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.822 -9.332 5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.515 -12.179 5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.827 -10.723 6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.729 -11.970 5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.798 -10.275 5.524 1.00 0.00 H new ATOM 117 N SER A 10 0.063 -11.489 1.754 1.00 0.00 N ATOM 118 CA SER A 10 0.713 -12.563 1.014 1.00 0.00 C ATOM 119 C SER A 10 1.927 -13.095 1.778 1.00 0.00 C ATOM 120 O SER A 10 3.046 -13.096 1.271 1.00 0.00 O ATOM 121 CB SER A 10 1.133 -12.050 -0.364 1.00 0.00 C ATOM 122 OG SER A 10 0.152 -11.171 -0.883 1.00 0.00 O ATOM 0 H SER A 10 0.386 -10.553 1.508 1.00 0.00 H new ATOM 0 HA SER A 10 0.007 -13.385 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.090 -11.534 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.274 -12.890 -1.044 1.00 0.00 H new ATOM 0 HG SER A 10 0.435 -10.849 -1.764 1.00 0.00 H new ATOM 128 N SER A 11 1.691 -13.554 2.999 1.00 0.00 N ATOM 129 CA SER A 11 2.752 -14.076 3.840 1.00 0.00 C ATOM 130 C SER A 11 3.151 -15.489 3.407 1.00 0.00 C ATOM 131 O SER A 11 2.336 -16.411 3.439 1.00 0.00 O ATOM 132 CB SER A 11 2.288 -14.077 5.299 1.00 0.00 C ATOM 133 OG SER A 11 1.488 -12.933 5.572 1.00 0.00 O ATOM 0 H SER A 11 0.766 -13.574 3.429 1.00 0.00 H new ATOM 0 HA SER A 11 3.629 -13.437 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.718 -14.983 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.154 -14.088 5.961 1.00 0.00 H new ATOM 0 HG SER A 11 1.199 -12.952 6.508 1.00 0.00 H new ATOM 139 N GLY A 12 4.399 -15.641 2.978 1.00 0.00 N ATOM 140 CA GLY A 12 4.890 -16.937 2.555 1.00 0.00 C ATOM 141 C GLY A 12 4.797 -17.139 1.059 1.00 0.00 C ATOM 142 O GLY A 12 5.336 -18.104 0.522 1.00 0.00 O ATOM 0 H GLY A 12 5.081 -14.885 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.928 -17.047 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.321 -17.718 3.059 1.00 0.00 H new ATOM 146 N LEU A 13 4.130 -16.225 0.375 1.00 0.00 N ATOM 147 CA LEU A 13 3.971 -16.326 -1.067 1.00 0.00 C ATOM 148 C LEU A 13 5.081 -15.555 -1.771 1.00 0.00 C ATOM 149 O LEU A 13 5.749 -14.724 -1.158 1.00 0.00 O ATOM 150 CB LEU A 13 2.591 -15.808 -1.482 1.00 0.00 C ATOM 151 CG LEU A 13 1.412 -16.480 -0.765 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.096 -15.817 -1.146 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.364 -17.972 -1.076 1.00 0.00 C ATOM 0 H LEU A 13 3.690 -15.405 0.794 1.00 0.00 H new ATOM 0 HA LEU A 13 4.044 -17.372 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.549 -14.735 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.473 -15.948 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 13 1.561 -16.358 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.724 -16.311 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.124 -14.765 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.055 -15.900 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.520 -18.425 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.248 -18.116 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.289 -18.443 -0.744 1.00 0.00 H new ATOM 165 N SER A 14 5.295 -15.854 -3.042 1.00 0.00 N ATOM 166 CA SER A 14 6.335 -15.195 -3.818 1.00 0.00 C ATOM 167 C SER A 14 5.814 -13.894 -4.438 1.00 0.00 C ATOM 168 O SER A 14 4.677 -13.487 -4.189 1.00 0.00 O ATOM 169 CB SER A 14 6.831 -16.148 -4.906 1.00 0.00 C ATOM 170 OG SER A 14 6.997 -17.462 -4.395 1.00 0.00 O ATOM 0 H SER A 14 4.761 -16.551 -3.560 1.00 0.00 H new ATOM 0 HA SER A 14 7.163 -14.938 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.121 -16.163 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.779 -15.787 -5.306 1.00 0.00 H new ATOM 0 HG SER A 14 7.313 -18.053 -5.110 1.00 0.00 H new ATOM 176 N ASP A 15 6.648 -13.238 -5.237 1.00 0.00 N ATOM 177 CA ASP A 15 6.252 -11.996 -5.889 1.00 0.00 C ATOM 178 C ASP A 15 5.265 -12.282 -7.011 1.00 0.00 C ATOM 179 O ASP A 15 5.109 -13.429 -7.435 1.00 0.00 O ATOM 180 CB ASP A 15 7.473 -11.247 -6.432 1.00 0.00 C ATOM 181 CG ASP A 15 8.133 -11.954 -7.602 1.00 0.00 C ATOM 182 OD1 ASP A 15 7.719 -11.724 -8.757 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.073 -12.740 -7.368 1.00 0.00 O ATOM 0 H ASP A 15 7.598 -13.544 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 15 5.768 -11.361 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.170 -10.247 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.202 -11.124 -5.631 1.00 0.00 H new ATOM 188 N GLY A 16 4.595 -11.243 -7.481 1.00 0.00 N ATOM 189 CA GLY A 16 3.619 -11.408 -8.539 1.00 0.00 C ATOM 190 C GLY A 16 2.253 -11.733 -7.981 1.00 0.00 C ATOM 191 O GLY A 16 1.259 -11.752 -8.706 1.00 0.00 O ATOM 0 H GLY A 16 4.709 -10.285 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.564 -10.495 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.939 -12.205 -9.210 1.00 0.00 H new ATOM 195 N THR A 17 2.212 -11.990 -6.681 1.00 0.00 N ATOM 196 CA THR A 17 0.976 -12.311 -5.994 1.00 0.00 C ATOM 197 C THR A 17 0.154 -11.045 -5.781 1.00 0.00 C ATOM 198 O THR A 17 0.708 -9.963 -5.571 1.00 0.00 O ATOM 199 CB THR A 17 1.265 -12.984 -4.636 1.00 0.00 C ATOM 200 OG1 THR A 17 2.202 -14.056 -4.813 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.011 -13.527 -4.010 1.00 0.00 C ATOM 0 H THR A 17 3.034 -11.981 -6.077 1.00 0.00 H new ATOM 0 HA THR A 17 0.410 -13.008 -6.612 1.00 0.00 H new ATOM 0 HB THR A 17 1.685 -12.231 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.115 -13.707 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.223 -13.996 -3.054 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.714 -12.710 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.457 -14.265 -4.676 1.00 0.00 H new ATOM 209 N VAL A 18 -1.161 -11.174 -5.851 1.00 0.00 N ATOM 210 CA VAL A 18 -2.039 -10.036 -5.675 1.00 0.00 C ATOM 211 C VAL A 18 -2.565 -9.972 -4.243 1.00 0.00 C ATOM 212 O VAL A 18 -3.196 -10.911 -3.758 1.00 0.00 O ATOM 213 CB VAL A 18 -3.222 -10.091 -6.659 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.976 -8.778 -6.655 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.743 -10.427 -8.066 1.00 0.00 C ATOM 0 H VAL A 18 -1.641 -12.056 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.456 -9.138 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.899 -10.881 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.809 -8.835 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.358 -8.581 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.305 -7.972 -6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.597 -10.460 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.042 -9.664 -8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.247 -11.398 -8.059 1.00 0.00 H new ATOM 225 N VAL A 19 -2.279 -8.869 -3.572 1.00 0.00 N ATOM 226 CA VAL A 19 -2.719 -8.655 -2.202 1.00 0.00 C ATOM 227 C VAL A 19 -4.176 -8.200 -2.185 1.00 0.00 C ATOM 228 O VAL A 19 -4.548 -7.262 -2.898 1.00 0.00 O ATOM 229 CB VAL A 19 -1.844 -7.599 -1.489 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.196 -7.508 -0.011 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.364 -7.910 -1.664 1.00 0.00 C ATOM 0 H VAL A 19 -1.736 -8.097 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.622 -9.601 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.048 -6.633 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.566 -6.758 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.243 -7.225 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.031 -8.476 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.230 -7.152 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.145 -8.890 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.115 -7.911 -2.725 1.00 0.00 H new ATOM 241 N LYS A 20 -4.994 -8.867 -1.381 1.00 0.00 N ATOM 242 CA LYS A 20 -6.410 -8.536 -1.285 1.00 0.00 C ATOM 243 C LYS A 20 -6.629 -7.447 -0.242 1.00 0.00 C ATOM 244 O LYS A 20 -6.365 -7.650 0.946 1.00 0.00 O ATOM 245 CB LYS A 20 -7.219 -9.783 -0.924 1.00 0.00 C ATOM 246 CG LYS A 20 -8.723 -9.551 -0.876 1.00 0.00 C ATOM 247 CD LYS A 20 -9.468 -10.790 -0.403 1.00 0.00 C ATOM 248 CE LYS A 20 -9.580 -11.834 -1.501 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.309 -13.047 -1.040 1.00 0.00 N ATOM 0 H LYS A 20 -4.701 -9.641 -0.785 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.748 -8.165 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.005 -10.566 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.887 -10.151 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.942 -8.718 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.079 -9.268 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.951 -11.219 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.466 -10.508 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.096 -11.404 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.582 -12.116 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.364 -13.735 -1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.803 -13.472 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.270 -12.783 -0.743 1.00 0.00 H new ATOM 263 N VAL A 21 -7.097 -6.290 -0.686 1.00 0.00 N ATOM 264 CA VAL A 21 -7.345 -5.176 0.217 1.00 0.00 C ATOM 265 C VAL A 21 -8.809 -4.753 0.164 1.00 0.00 C ATOM 266 O VAL A 21 -9.295 -4.297 -0.871 1.00 0.00 O ATOM 267 CB VAL A 21 -6.455 -3.959 -0.126 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.672 -2.833 0.871 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.986 -4.353 -0.169 1.00 0.00 C ATOM 0 H VAL A 21 -7.312 -6.098 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.100 -5.519 1.222 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.743 -3.604 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.035 -1.988 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.716 -2.522 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.420 -3.181 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.382 -3.479 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.685 -4.743 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.837 -5.120 -0.929 1.00 0.00 H new ATOM 279 N ALA A 22 -9.514 -4.923 1.274 1.00 0.00 N ATOM 280 CA ALA A 22 -10.918 -4.548 1.351 1.00 0.00 C ATOM 281 C ALA A 22 -11.213 -3.833 2.661 1.00 0.00 C ATOM 282 O ALA A 22 -11.153 -4.430 3.736 1.00 0.00 O ATOM 283 CB ALA A 22 -11.810 -5.772 1.200 1.00 0.00 C ATOM 0 H ALA A 22 -9.135 -5.319 2.134 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.132 -3.863 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.856 -5.470 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.623 -6.241 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.591 -6.482 1.997 1.00 0.00 H new ATOM 289 N GLY A 23 -11.514 -2.551 2.570 1.00 0.00 N ATOM 290 CA GLY A 23 -11.809 -1.778 3.756 1.00 0.00 C ATOM 291 C GLY A 23 -13.272 -1.406 3.830 1.00 0.00 C ATOM 292 O GLY A 23 -13.825 -0.851 2.881 1.00 0.00 O ATOM 0 H GLY A 23 -11.560 -2.029 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.534 -2.351 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.202 -0.872 3.761 1.00 0.00 H new ATOM 296 N ALA A 24 -13.904 -1.730 4.948 1.00 0.00 N ATOM 297 CA ALA A 24 -15.311 -1.421 5.153 1.00 0.00 C ATOM 298 C ALA A 24 -15.478 -0.483 6.339 1.00 0.00 C ATOM 299 O ALA A 24 -14.710 -0.548 7.301 1.00 0.00 O ATOM 300 CB ALA A 24 -16.115 -2.696 5.366 1.00 0.00 C ATOM 0 H ALA A 24 -13.461 -2.210 5.732 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.689 -0.924 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.164 -2.443 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.019 -3.337 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.738 -3.222 6.243 1.00 0.00 H new ATOM 306 N GLY A 25 -16.475 0.383 6.273 1.00 0.00 N ATOM 307 CA GLY A 25 -16.701 1.327 7.350 1.00 0.00 C ATOM 308 C GLY A 25 -15.779 2.518 7.239 1.00 0.00 C ATOM 309 O GLY A 25 -15.343 3.082 8.244 1.00 0.00 O ATOM 0 H GLY A 25 -17.132 0.451 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.737 1.664 7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.545 0.832 8.309 1.00 0.00 H new ATOM 313 N LEU A 26 -15.470 2.885 6.004 1.00 0.00 N ATOM 314 CA LEU A 26 -14.585 4.004 5.726 1.00 0.00 C ATOM 315 C LEU A 26 -15.397 5.255 5.418 1.00 0.00 C ATOM 316 O LEU A 26 -16.553 5.371 5.823 1.00 0.00 O ATOM 317 CB LEU A 26 -13.674 3.662 4.542 1.00 0.00 C ATOM 318 CG LEU A 26 -12.835 2.393 4.703 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.047 2.115 3.437 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.899 2.516 5.895 1.00 0.00 C ATOM 0 H LEU A 26 -15.825 2.417 5.170 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.970 4.197 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.291 3.558 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.001 4.502 4.369 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.510 1.556 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.455 1.209 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.735 1.982 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.384 2.955 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.311 1.603 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.230 3.364 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.483 2.669 6.802 1.00 0.00 H new ATOM 332 N GLN A 27 -14.798 6.185 4.693 1.00 0.00 N ATOM 333 CA GLN A 27 -15.469 7.426 4.342 1.00 0.00 C ATOM 334 C GLN A 27 -15.922 7.381 2.885 1.00 0.00 C ATOM 335 O GLN A 27 -15.096 7.350 1.976 1.00 0.00 O ATOM 336 CB GLN A 27 -14.528 8.610 4.577 1.00 0.00 C ATOM 337 CG GLN A 27 -15.216 9.964 4.534 1.00 0.00 C ATOM 338 CD GLN A 27 -16.369 10.069 5.513 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.395 9.395 6.542 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.326 10.926 5.204 1.00 0.00 N ATOM 0 H GLN A 27 -13.846 6.104 4.335 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.349 7.550 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.045 8.490 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.740 8.590 3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.487 10.744 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.585 10.147 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.267 11.466 4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.123 11.047 5.829 1.00 0.00 H new ATOM 349 N ALA A 28 -17.230 7.372 2.671 1.00 0.00 N ATOM 350 CA ALA A 28 -17.787 7.319 1.323 1.00 0.00 C ATOM 351 C ALA A 28 -17.375 8.534 0.496 1.00 0.00 C ATOM 352 O ALA A 28 -17.420 9.669 0.977 1.00 0.00 O ATOM 353 CB ALA A 28 -19.302 7.218 1.384 1.00 0.00 C ATOM 0 H ALA A 28 -17.928 7.401 3.414 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.387 6.431 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.705 7.179 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.585 6.313 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.704 8.089 1.902 1.00 0.00 H new ATOM 359 N GLY A 29 -16.961 8.289 -0.745 1.00 0.00 N ATOM 360 CA GLY A 29 -16.568 9.374 -1.627 1.00 0.00 C ATOM 361 C GLY A 29 -15.146 9.862 -1.404 1.00 0.00 C ATOM 362 O GLY A 29 -14.873 11.058 -1.515 1.00 0.00 O ATOM 0 H GLY A 29 -16.891 7.358 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.671 9.045 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.255 10.209 -1.488 1.00 0.00 H new ATOM 366 N THR A 30 -14.240 8.953 -1.075 1.00 0.00 N ATOM 367 CA THR A 30 -12.847 9.322 -0.859 1.00 0.00 C ATOM 368 C THR A 30 -11.923 8.411 -1.659 1.00 0.00 C ATOM 369 O THR A 30 -12.277 7.270 -1.961 1.00 0.00 O ATOM 370 CB THR A 30 -12.464 9.261 0.633 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.717 7.954 1.153 1.00 0.00 O ATOM 372 CG2 THR A 30 -13.241 10.291 1.438 1.00 0.00 C ATOM 0 H THR A 30 -14.441 7.961 -0.952 1.00 0.00 H new ATOM 0 HA THR A 30 -12.730 10.351 -1.200 1.00 0.00 H new ATOM 0 HB THR A 30 -11.401 9.485 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.667 7.869 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.952 10.227 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.020 11.290 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.309 10.096 1.344 1.00 0.00 H new ATOM 380 N ALA A 31 -10.756 8.921 -2.027 1.00 0.00 N ATOM 381 CA ALA A 31 -9.793 8.140 -2.786 1.00 0.00 C ATOM 382 C ALA A 31 -8.643 7.687 -1.892 1.00 0.00 C ATOM 383 O ALA A 31 -8.069 8.490 -1.154 1.00 0.00 O ATOM 384 CB ALA A 31 -9.264 8.946 -3.956 1.00 0.00 C ATOM 0 H ALA A 31 -10.455 9.871 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.298 7.255 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.544 8.347 -4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.091 9.223 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.776 9.848 -3.586 1.00 0.00 H new ATOM 390 N TYR A 32 -8.301 6.410 -1.975 1.00 0.00 N ATOM 391 CA TYR A 32 -7.233 5.845 -1.164 1.00 0.00 C ATOM 392 C TYR A 32 -6.040 5.467 -2.029 1.00 0.00 C ATOM 393 O TYR A 32 -6.187 5.132 -3.207 1.00 0.00 O ATOM 394 CB TYR A 32 -7.746 4.621 -0.395 1.00 0.00 C ATOM 395 CG TYR A 32 -8.874 4.946 0.555 1.00 0.00 C ATOM 396 CD1 TYR A 32 -8.615 5.343 1.860 1.00 0.00 C ATOM 397 CD2 TYR A 32 -10.199 4.874 0.142 1.00 0.00 C ATOM 398 CE1 TYR A 32 -9.641 5.662 2.727 1.00 0.00 C ATOM 399 CE2 TYR A 32 -11.231 5.188 1.006 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.946 5.582 2.296 1.00 0.00 C ATOM 401 OH TYR A 32 -11.966 5.912 3.157 1.00 0.00 O ATOM 0 H TYR A 32 -8.751 5.742 -2.600 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.907 6.600 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.085 3.868 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.922 4.181 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.593 5.403 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.426 4.568 -0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.421 5.973 3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.256 5.125 0.672 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.491 6.646 2.776 1.00 0.00 H new ATOM 411 N ASP A 33 -4.862 5.537 -1.436 1.00 0.00 N ATOM 412 CA ASP A 33 -3.627 5.204 -2.127 1.00 0.00 C ATOM 413 C ASP A 33 -2.976 4.012 -1.441 1.00 0.00 C ATOM 414 O ASP A 33 -2.491 4.123 -0.311 1.00 0.00 O ATOM 415 CB ASP A 33 -2.676 6.399 -2.126 1.00 0.00 C ATOM 416 CG ASP A 33 -1.725 6.388 -3.305 1.00 0.00 C ATOM 417 OD1 ASP A 33 -0.867 5.487 -3.378 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.832 7.293 -4.164 1.00 0.00 O ATOM 0 H ASP A 33 -4.733 5.825 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.852 4.949 -3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.257 7.321 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.101 6.400 -1.200 1.00 0.00 H new ATOM 423 N VAL A 34 -2.988 2.869 -2.109 1.00 0.00 N ATOM 424 CA VAL A 34 -2.421 1.656 -1.542 1.00 0.00 C ATOM 425 C VAL A 34 -1.373 1.042 -2.463 1.00 0.00 C ATOM 426 O VAL A 34 -1.590 0.912 -3.670 1.00 0.00 O ATOM 427 CB VAL A 34 -3.523 0.609 -1.265 1.00 0.00 C ATOM 428 CG1 VAL A 34 -2.947 -0.610 -0.569 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.647 1.208 -0.430 1.00 0.00 C ATOM 0 H VAL A 34 -3.383 2.756 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.943 1.939 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.935 0.299 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.742 -1.333 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.184 -1.063 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.501 -0.311 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.410 0.450 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.247 1.555 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.090 2.048 -0.965 1.00 0.00 H new ATOM 439 N GLY A 35 -0.228 0.697 -1.887 1.00 0.00 N ATOM 440 CA GLY A 35 0.836 0.069 -2.638 1.00 0.00 C ATOM 441 C GLY A 35 1.783 -0.664 -1.711 1.00 0.00 C ATOM 442 O GLY A 35 1.567 -0.679 -0.498 1.00 0.00 O ATOM 0 H GLY A 35 -0.018 0.845 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.415 -0.629 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.383 0.823 -3.203 1.00 0.00 H new ATOM 446 N GLN A 36 2.820 -1.283 -2.255 1.00 0.00 N ATOM 447 CA GLN A 36 3.786 -1.985 -1.421 1.00 0.00 C ATOM 448 C GLN A 36 4.887 -1.015 -1.031 1.00 0.00 C ATOM 449 O GLN A 36 5.530 -0.411 -1.887 1.00 0.00 O ATOM 450 CB GLN A 36 4.370 -3.211 -2.134 1.00 0.00 C ATOM 451 CG GLN A 36 5.058 -2.891 -3.451 1.00 0.00 C ATOM 452 CD GLN A 36 5.967 -4.000 -3.935 1.00 0.00 C ATOM 453 OE1 GLN A 36 6.070 -4.242 -5.130 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.650 -4.666 -3.016 1.00 0.00 N ATOM 0 H GLN A 36 3.014 -1.315 -3.256 1.00 0.00 H new ATOM 0 HA GLN A 36 3.280 -2.353 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.085 -3.697 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.569 -3.927 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.301 -2.693 -4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.641 -1.977 -3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.537 -4.435 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.289 -5.410 -3.295 1.00 0.00 H new ATOM 463 N CYS A 37 5.079 -0.838 0.259 1.00 0.00 N ATOM 464 CA CYS A 37 6.081 0.083 0.748 1.00 0.00 C ATOM 465 C CYS A 37 7.046 -0.612 1.688 1.00 0.00 C ATOM 466 O CYS A 37 6.714 -1.628 2.289 1.00 0.00 O ATOM 467 CB CYS A 37 5.392 1.247 1.458 1.00 0.00 C ATOM 468 SG CYS A 37 3.640 1.444 0.992 1.00 0.00 S ATOM 0 H CYS A 37 4.554 -1.321 0.988 1.00 0.00 H new ATOM 0 HA CYS A 37 6.656 0.461 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.459 1.097 2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.927 2.169 1.231 1.00 0.00 H new ATOM 473 N ALA A 38 8.248 -0.076 1.788 1.00 0.00 N ATOM 474 CA ALA A 38 9.261 -0.628 2.668 1.00 0.00 C ATOM 475 C ALA A 38 10.009 0.505 3.351 1.00 0.00 C ATOM 476 O ALA A 38 9.903 1.663 2.931 1.00 0.00 O ATOM 477 CB ALA A 38 10.222 -1.520 1.893 1.00 0.00 C ATOM 0 H ALA A 38 8.548 0.747 1.266 1.00 0.00 H new ATOM 0 HA ALA A 38 8.777 -1.243 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.973 -1.923 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.669 -2.340 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.713 -0.936 1.115 1.00 0.00 H new ATOM 483 N TRP A 39 10.745 0.176 4.404 1.00 0.00 N ATOM 484 CA TRP A 39 11.515 1.169 5.140 1.00 0.00 C ATOM 485 C TRP A 39 12.626 1.724 4.255 1.00 0.00 C ATOM 486 O TRP A 39 13.587 1.022 3.923 1.00 0.00 O ATOM 487 CB TRP A 39 12.101 0.556 6.414 1.00 0.00 C ATOM 488 CG TRP A 39 11.060 0.067 7.375 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.739 -1.230 7.647 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.197 0.873 8.192 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.736 -1.284 8.583 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.383 -0.007 8.931 1.00 0.00 C ATOM 493 CE3 TRP A 39 10.038 2.252 8.370 1.00 0.00 C ATOM 494 CZ2 TRP A 39 8.425 0.448 9.832 1.00 0.00 C ATOM 495 CZ3 TRP A 39 9.084 2.701 9.264 1.00 0.00 C ATOM 496 CH2 TRP A 39 8.289 1.802 9.986 1.00 0.00 C ATOM 0 H TRP A 39 10.825 -0.773 4.768 1.00 0.00 H new ATOM 0 HA TRP A 39 10.853 1.986 5.428 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.752 -0.275 6.142 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.724 1.299 6.912 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.206 -2.091 7.192 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.321 -2.137 8.958 1.00 0.00 H new ATOM 0 HE3 TRP A 39 10.649 2.952 7.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.810 -0.243 10.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.949 3.763 9.408 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.554 2.184 10.678 1.00 0.00 H new ATOM 507 N VAL A 40 12.477 2.978 3.862 1.00 0.00 N ATOM 508 CA VAL A 40 13.448 3.620 2.999 1.00 0.00 C ATOM 509 C VAL A 40 14.301 4.618 3.780 1.00 0.00 C ATOM 510 O VAL A 40 15.323 5.096 3.289 1.00 0.00 O ATOM 511 CB VAL A 40 12.748 4.316 1.808 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.165 5.665 2.210 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.702 4.458 0.634 1.00 0.00 C ATOM 0 H VAL A 40 11.691 3.571 4.129 1.00 0.00 H new ATOM 0 HA VAL A 40 14.108 2.847 2.605 1.00 0.00 H new ATOM 0 HB VAL A 40 11.916 3.685 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.681 6.124 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.432 5.523 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.964 6.315 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.190 4.950 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.563 5.055 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.038 3.471 0.317 1.00 0.00 H new ATOM 523 N ASP A 41 13.873 4.923 5.001 1.00 0.00 N ATOM 524 CA ASP A 41 14.599 5.847 5.864 1.00 0.00 C ATOM 525 C ASP A 41 14.053 5.767 7.281 1.00 0.00 C ATOM 526 O ASP A 41 13.077 5.057 7.532 1.00 0.00 O ATOM 527 CB ASP A 41 14.500 7.283 5.342 1.00 0.00 C ATOM 528 CG ASP A 41 15.715 8.115 5.703 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.841 7.574 5.679 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.552 9.310 6.019 1.00 0.00 O ATOM 0 H ASP A 41 13.023 4.541 5.416 1.00 0.00 H new ATOM 0 HA ASP A 41 15.651 5.560 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.384 7.265 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.606 7.754 5.751 1.00 0.00 H new ATOM 535 N THR A 42 14.669 6.503 8.196 1.00 0.00 N ATOM 536 CA THR A 42 14.254 6.512 9.590 1.00 0.00 C ATOM 537 C THR A 42 12.845 7.089 9.751 1.00 0.00 C ATOM 538 O THR A 42 12.659 8.307 9.790 1.00 0.00 O ATOM 539 CB THR A 42 15.247 7.325 10.440 1.00 0.00 C ATOM 540 OG1 THR A 42 16.495 7.451 9.737 1.00 0.00 O ATOM 541 CG2 THR A 42 15.480 6.652 11.784 1.00 0.00 C ATOM 0 H THR A 42 15.466 7.107 7.994 1.00 0.00 H new ATOM 0 HA THR A 42 14.242 5.478 9.936 1.00 0.00 H new ATOM 0 HB THR A 42 14.826 8.315 10.617 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.484 8.267 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.185 7.243 12.369 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.535 6.577 12.322 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.887 5.654 11.625 1.00 0.00 H new ATOM 549 N GLY A 43 11.858 6.203 9.823 1.00 0.00 N ATOM 550 CA GLY A 43 10.478 6.624 9.976 1.00 0.00 C ATOM 551 C GLY A 43 9.842 6.983 8.649 1.00 0.00 C ATOM 552 O GLY A 43 8.734 7.519 8.604 1.00 0.00 O ATOM 0 H GLY A 43 11.991 5.193 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.906 5.825 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.434 7.485 10.643 1.00 0.00 H new ATOM 556 N VAL A 44 10.546 6.681 7.564 1.00 0.00 N ATOM 557 CA VAL A 44 10.058 6.980 6.225 1.00 0.00 C ATOM 558 C VAL A 44 9.971 5.717 5.388 1.00 0.00 C ATOM 559 O VAL A 44 10.883 4.890 5.392 1.00 0.00 O ATOM 560 CB VAL A 44 10.972 7.986 5.491 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.294 8.534 4.246 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.389 9.118 6.411 1.00 0.00 C ATOM 0 H VAL A 44 11.459 6.228 7.587 1.00 0.00 H new ATOM 0 HA VAL A 44 9.068 7.420 6.347 1.00 0.00 H new ATOM 0 HB VAL A 44 11.870 7.450 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.960 9.239 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.063 7.714 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.372 9.043 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.032 9.811 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.503 9.646 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.933 8.712 7.264 1.00 0.00 H new ATOM 572 N LEU A 45 8.874 5.577 4.674 1.00 0.00 N ATOM 573 CA LEU A 45 8.666 4.431 3.813 1.00 0.00 C ATOM 574 C LEU A 45 8.402 4.914 2.399 1.00 0.00 C ATOM 575 O LEU A 45 8.243 6.108 2.173 1.00 0.00 O ATOM 576 CB LEU A 45 7.497 3.582 4.305 1.00 0.00 C ATOM 577 CG LEU A 45 7.665 2.993 5.705 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.851 3.778 6.719 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.268 1.528 5.716 1.00 0.00 C ATOM 0 H LEU A 45 8.106 6.249 4.673 1.00 0.00 H new ATOM 0 HA LEU A 45 9.561 3.809 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.594 4.192 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.340 2.765 3.601 1.00 0.00 H new ATOM 0 HG LEU A 45 8.716 3.066 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.985 3.342 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.187 4.815 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.796 3.741 6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.394 1.124 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.225 1.431 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.900 0.975 5.021 1.00 0.00 H new ATOM 591 N ALA A 46 8.364 3.997 1.452 1.00 0.00 N ATOM 592 CA ALA A 46 8.116 4.359 0.069 1.00 0.00 C ATOM 593 C ALA A 46 7.372 3.242 -0.643 1.00 0.00 C ATOM 594 O ALA A 46 7.796 2.085 -0.596 1.00 0.00 O ATOM 595 CB ALA A 46 9.432 4.660 -0.624 1.00 0.00 C ATOM 0 H ALA A 46 8.501 2.999 1.613 1.00 0.00 H new ATOM 0 HA ALA A 46 7.493 5.253 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.243 4.932 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.929 5.487 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.071 3.778 -0.590 1.00 0.00 H new ATOM 601 N CYS A 47 6.259 3.583 -1.285 1.00 0.00 N ATOM 602 CA CYS A 47 5.450 2.599 -1.997 1.00 0.00 C ATOM 603 C CYS A 47 5.708 2.677 -3.493 1.00 0.00 C ATOM 604 O CYS A 47 6.388 3.587 -3.961 1.00 0.00 O ATOM 605 CB CYS A 47 3.961 2.823 -1.718 1.00 0.00 C ATOM 606 SG CYS A 47 3.572 3.221 0.016 1.00 0.00 S ATOM 0 H CYS A 47 5.896 4.535 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 47 5.732 1.608 -1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.603 3.633 -2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.411 1.926 -2.004 1.00 0.00 H new ATOM 611 N ASN A 48 5.167 1.721 -4.234 1.00 0.00 N ATOM 612 CA ASN A 48 5.341 1.677 -5.680 1.00 0.00 C ATOM 613 C ASN A 48 4.161 2.332 -6.393 1.00 0.00 C ATOM 614 O ASN A 48 3.007 1.956 -6.187 1.00 0.00 O ATOM 615 CB ASN A 48 5.522 0.228 -6.160 1.00 0.00 C ATOM 616 CG ASN A 48 4.310 -0.663 -5.910 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.597 -0.517 -4.915 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.079 -1.603 -6.812 1.00 0.00 N ATOM 0 H ASN A 48 4.601 0.961 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 48 6.242 2.239 -5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.742 0.234 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.388 -0.205 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.289 -2.237 -6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.691 -1.693 -7.623 1.00 0.00 H new ATOM 625 N PRO A 49 4.433 3.343 -7.227 1.00 0.00 N ATOM 626 CA PRO A 49 3.399 4.047 -7.980 1.00 0.00 C ATOM 627 C PRO A 49 3.060 3.372 -9.311 1.00 0.00 C ATOM 628 O PRO A 49 2.054 3.693 -9.937 1.00 0.00 O ATOM 629 CB PRO A 49 4.040 5.408 -8.221 1.00 0.00 C ATOM 630 CG PRO A 49 5.496 5.114 -8.346 1.00 0.00 C ATOM 631 CD PRO A 49 5.771 3.915 -7.468 1.00 0.00 C ATOM 0 HA PRO A 49 2.450 4.078 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.650 5.877 -9.125 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.842 6.092 -7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.761 4.905 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.093 5.970 -8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.429 3.200 -7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.257 4.204 -6.536 1.00 0.00 H new ATOM 639 N ALA A 50 3.907 2.452 -9.753 1.00 0.00 N ATOM 640 CA ALA A 50 3.671 1.752 -11.009 1.00 0.00 C ATOM 641 C ALA A 50 2.567 0.711 -10.867 1.00 0.00 C ATOM 642 O ALA A 50 1.636 0.673 -11.669 1.00 0.00 O ATOM 643 CB ALA A 50 4.947 1.096 -11.509 1.00 0.00 C ATOM 0 H ALA A 50 4.758 2.174 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 50 3.347 2.493 -11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.747 0.579 -12.448 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.709 1.858 -11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.302 0.379 -10.769 1.00 0.00 H new ATOM 649 N ASP A 51 2.672 -0.136 -9.854 1.00 0.00 N ATOM 650 CA ASP A 51 1.672 -1.175 -9.628 1.00 0.00 C ATOM 651 C ASP A 51 0.778 -0.818 -8.446 1.00 0.00 C ATOM 652 O ASP A 51 0.471 -1.664 -7.608 1.00 0.00 O ATOM 653 CB ASP A 51 2.353 -2.524 -9.379 1.00 0.00 C ATOM 654 CG ASP A 51 1.768 -3.641 -10.224 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.535 -3.838 -10.201 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.546 -4.330 -10.914 1.00 0.00 O ATOM 0 H ASP A 51 3.435 -0.127 -9.177 1.00 0.00 H new ATOM 0 HA ASP A 51 1.052 -1.249 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.418 -2.433 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.259 -2.784 -8.325 1.00 0.00 H new ATOM 661 N PHE A 52 0.364 0.440 -8.386 1.00 0.00 N ATOM 662 CA PHE A 52 -0.495 0.910 -7.306 1.00 0.00 C ATOM 663 C PHE A 52 -1.956 0.867 -7.738 1.00 0.00 C ATOM 664 O PHE A 52 -2.255 0.698 -8.924 1.00 0.00 O ATOM 665 CB PHE A 52 -0.095 2.333 -6.881 1.00 0.00 C ATOM 666 CG PHE A 52 -0.860 3.438 -7.570 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.716 3.668 -8.931 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.724 4.246 -6.849 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.419 4.680 -9.557 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.428 5.259 -7.470 1.00 0.00 C ATOM 671 CZ PHE A 52 -2.276 5.475 -8.826 1.00 0.00 C ATOM 0 H PHE A 52 0.609 1.154 -9.072 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.370 0.250 -6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.236 2.429 -5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.969 2.470 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.046 3.048 -9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.849 4.082 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.297 4.848 -10.617 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.097 5.882 -6.896 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.828 6.266 -9.313 1.00 0.00 H new ATOM 681 N SER A 53 -2.861 1.024 -6.783 1.00 0.00 N ATOM 682 CA SER A 53 -4.283 0.999 -7.080 1.00 0.00 C ATOM 683 C SER A 53 -5.018 2.153 -6.399 1.00 0.00 C ATOM 684 O SER A 53 -5.170 2.174 -5.174 1.00 0.00 O ATOM 685 CB SER A 53 -4.881 -0.343 -6.646 1.00 0.00 C ATOM 686 OG SER A 53 -4.245 -1.427 -7.304 1.00 0.00 O ATOM 0 H SER A 53 -2.635 1.170 -5.799 1.00 0.00 H new ATOM 0 HA SER A 53 -4.407 1.119 -8.156 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.777 -0.458 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.948 -0.356 -6.867 1.00 0.00 H new ATOM 0 HG SER A 53 -4.524 -2.270 -6.890 1.00 0.00 H new ATOM 692 N SER A 54 -5.463 3.115 -7.198 1.00 0.00 N ATOM 693 CA SER A 54 -6.196 4.262 -6.685 1.00 0.00 C ATOM 694 C SER A 54 -7.679 3.922 -6.548 1.00 0.00 C ATOM 695 O SER A 54 -8.497 4.285 -7.399 1.00 0.00 O ATOM 696 CB SER A 54 -6.010 5.462 -7.619 1.00 0.00 C ATOM 697 OG SER A 54 -5.816 5.040 -8.960 1.00 0.00 O ATOM 0 H SER A 54 -5.327 3.122 -8.209 1.00 0.00 H new ATOM 0 HA SER A 54 -5.806 4.519 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.884 6.111 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.153 6.052 -7.292 1.00 0.00 H new ATOM 0 HG SER A 54 -4.859 5.044 -9.169 1.00 0.00 H new ATOM 703 N VAL A 55 -8.020 3.214 -5.484 1.00 0.00 N ATOM 704 CA VAL A 55 -9.396 2.808 -5.245 1.00 0.00 C ATOM 705 C VAL A 55 -10.158 3.883 -4.476 1.00 0.00 C ATOM 706 O VAL A 55 -9.592 4.590 -3.640 1.00 0.00 O ATOM 707 CB VAL A 55 -9.461 1.461 -4.479 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.874 1.592 -3.082 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.889 0.931 -4.421 1.00 0.00 C ATOM 0 H VAL A 55 -7.360 2.907 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.868 2.673 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.856 0.740 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.934 0.631 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.831 1.901 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.436 2.338 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.905 -0.014 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.525 1.654 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.260 0.774 -5.434 1.00 0.00 H new ATOM 719 N THR A 56 -11.434 4.017 -4.781 1.00 0.00 N ATOM 720 CA THR A 56 -12.275 4.988 -4.114 1.00 0.00 C ATOM 721 C THR A 56 -13.365 4.271 -3.322 1.00 0.00 C ATOM 722 O THR A 56 -13.801 3.180 -3.700 1.00 0.00 O ATOM 723 CB THR A 56 -12.910 5.979 -5.122 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.289 7.184 -4.446 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.130 5.375 -5.808 1.00 0.00 C ATOM 0 H THR A 56 -11.912 3.462 -5.491 1.00 0.00 H new ATOM 0 HA THR A 56 -11.650 5.565 -3.432 1.00 0.00 H new ATOM 0 HB THR A 56 -12.165 6.200 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.061 7.112 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.549 6.098 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.835 4.476 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.879 5.119 -5.059 1.00 0.00 H new ATOM 733 N ALA A 57 -13.777 4.861 -2.209 1.00 0.00 N ATOM 734 CA ALA A 57 -14.822 4.272 -1.386 1.00 0.00 C ATOM 735 C ALA A 57 -16.183 4.489 -2.027 1.00 0.00 C ATOM 736 O ALA A 57 -16.496 5.596 -2.472 1.00 0.00 O ATOM 737 CB ALA A 57 -14.797 4.857 0.016 1.00 0.00 C ATOM 0 H ALA A 57 -13.405 5.743 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.637 3.200 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.587 4.402 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.830 4.655 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.956 5.934 -0.036 1.00 0.00 H new ATOM 743 N ASP A 58 -16.982 3.432 -2.073 1.00 0.00 N ATOM 744 CA ASP A 58 -18.318 3.494 -2.660 1.00 0.00 C ATOM 745 C ASP A 58 -19.269 4.293 -1.768 1.00 0.00 C ATOM 746 O ASP A 58 -18.867 4.812 -0.724 1.00 0.00 O ATOM 747 CB ASP A 58 -18.874 2.078 -2.907 1.00 0.00 C ATOM 748 CG ASP A 58 -18.825 1.184 -1.678 1.00 0.00 C ATOM 749 OD1 ASP A 58 -19.062 1.680 -0.559 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.551 -0.026 -1.824 1.00 0.00 O ATOM 0 H ASP A 58 -16.728 2.514 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.239 4.004 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.906 2.156 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.307 1.609 -3.711 1.00 0.00 H new ATOM 755 N ALA A 59 -20.532 4.374 -2.173 1.00 0.00 N ATOM 756 CA ALA A 59 -21.545 5.112 -1.422 1.00 0.00 C ATOM 757 C ALA A 59 -21.908 4.408 -0.119 1.00 0.00 C ATOM 758 O ALA A 59 -22.642 4.952 0.704 1.00 0.00 O ATOM 759 CB ALA A 59 -22.791 5.312 -2.270 1.00 0.00 C ATOM 0 H ALA A 59 -20.882 3.934 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.121 6.084 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.537 5.863 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.534 5.875 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.197 4.341 -2.555 1.00 0.00 H new ATOM 765 N ASN A 60 -21.403 3.199 0.067 1.00 0.00 N ATOM 766 CA ASN A 60 -21.681 2.442 1.278 1.00 0.00 C ATOM 767 C ASN A 60 -20.573 2.672 2.295 1.00 0.00 C ATOM 768 O ASN A 60 -20.745 2.418 3.489 1.00 0.00 O ATOM 769 CB ASN A 60 -21.802 0.945 0.972 1.00 0.00 C ATOM 770 CG ASN A 60 -22.971 0.619 0.064 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.974 1.335 0.029 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.852 -0.469 -0.678 1.00 0.00 N ATOM 0 H ASN A 60 -20.800 2.721 -0.603 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.630 2.787 1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.879 0.599 0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.911 0.396 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.606 -0.742 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.006 -1.035 -0.620 1.00 0.00 H new ATOM 779 N GLY A 61 -19.434 3.153 1.808 1.00 0.00 N ATOM 780 CA GLY A 61 -18.304 3.415 2.674 1.00 0.00 C ATOM 781 C GLY A 61 -17.307 2.278 2.654 1.00 0.00 C ATOM 782 O GLY A 61 -16.623 2.021 3.643 1.00 0.00 O ATOM 0 H GLY A 61 -19.275 3.366 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.812 4.336 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.656 3.572 3.694 1.00 0.00 H new ATOM 786 N SER A 62 -17.233 1.586 1.529 1.00 0.00 N ATOM 787 CA SER A 62 -16.316 0.466 1.389 1.00 0.00 C ATOM 788 C SER A 62 -15.388 0.659 0.192 1.00 0.00 C ATOM 789 O SER A 62 -15.773 1.257 -0.815 1.00 0.00 O ATOM 790 CB SER A 62 -17.108 -0.835 1.249 1.00 0.00 C ATOM 791 OG SER A 62 -18.487 -0.570 1.016 1.00 0.00 O ATOM 0 H SER A 62 -17.796 1.779 0.701 1.00 0.00 H new ATOM 0 HA SER A 62 -15.695 0.413 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.703 -1.425 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.997 -1.432 2.154 1.00 0.00 H new ATOM 0 HG SER A 62 -18.653 -0.526 0.051 1.00 0.00 H new ATOM 797 N ALA A 63 -14.165 0.165 0.315 1.00 0.00 N ATOM 798 CA ALA A 63 -13.183 0.268 -0.752 1.00 0.00 C ATOM 799 C ALA A 63 -12.435 -1.054 -0.910 1.00 0.00 C ATOM 800 O ALA A 63 -11.681 -1.462 -0.025 1.00 0.00 O ATOM 801 CB ALA A 63 -12.209 1.405 -0.480 1.00 0.00 C ATOM 0 H ALA A 63 -13.828 -0.314 1.150 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.706 0.486 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.483 1.464 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.757 2.345 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.689 1.221 0.460 1.00 0.00 H new ATOM 807 N SER A 64 -12.660 -1.722 -2.030 1.00 0.00 N ATOM 808 CA SER A 64 -12.018 -2.999 -2.304 1.00 0.00 C ATOM 809 C SER A 64 -11.122 -2.894 -3.533 1.00 0.00 C ATOM 810 O SER A 64 -11.542 -2.385 -4.573 1.00 0.00 O ATOM 811 CB SER A 64 -13.079 -4.077 -2.515 1.00 0.00 C ATOM 812 OG SER A 64 -14.109 -3.967 -1.543 1.00 0.00 O ATOM 0 H SER A 64 -13.286 -1.399 -2.768 1.00 0.00 H new ATOM 0 HA SER A 64 -11.398 -3.271 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.504 -3.985 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.619 -5.063 -2.454 1.00 0.00 H new ATOM 0 HG SER A 64 -14.779 -4.665 -1.696 1.00 0.00 H new ATOM 818 N THR A 65 -9.888 -3.362 -3.412 1.00 0.00 N ATOM 819 CA THR A 65 -8.947 -3.304 -4.516 1.00 0.00 C ATOM 820 C THR A 65 -7.929 -4.441 -4.436 1.00 0.00 C ATOM 821 O THR A 65 -7.922 -5.223 -3.480 1.00 0.00 O ATOM 822 CB THR A 65 -8.225 -1.942 -4.557 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.543 -1.782 -5.805 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.236 -1.806 -3.407 1.00 0.00 C ATOM 0 H THR A 65 -9.518 -3.785 -2.561 1.00 0.00 H new ATOM 0 HA THR A 65 -9.517 -3.420 -5.438 1.00 0.00 H new ATOM 0 HB THR A 65 -8.978 -1.161 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.893 -0.994 -6.270 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.743 -0.835 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.767 -1.889 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.489 -2.597 -3.474 1.00 0.00 H new ATOM 832 N SER A 66 -7.072 -4.523 -5.442 1.00 0.00 N ATOM 833 CA SER A 66 -6.058 -5.561 -5.512 1.00 0.00 C ATOM 834 C SER A 66 -4.690 -4.940 -5.805 1.00 0.00 C ATOM 835 O SER A 66 -4.579 -4.057 -6.659 1.00 0.00 O ATOM 836 CB SER A 66 -6.442 -6.563 -6.601 1.00 0.00 C ATOM 837 OG SER A 66 -7.855 -6.643 -6.757 1.00 0.00 O ATOM 0 H SER A 66 -7.060 -3.874 -6.229 1.00 0.00 H new ATOM 0 HA SER A 66 -5.996 -6.081 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.986 -6.268 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.046 -7.547 -6.349 1.00 0.00 H new ATOM 0 HG SER A 66 -8.070 -7.290 -7.461 1.00 0.00 H new ATOM 843 N LEU A 67 -3.654 -5.389 -5.093 1.00 0.00 N ATOM 844 CA LEU A 67 -2.306 -4.851 -5.278 1.00 0.00 C ATOM 845 C LEU A 67 -1.311 -5.949 -5.644 1.00 0.00 C ATOM 846 O LEU A 67 -1.156 -6.922 -4.913 1.00 0.00 O ATOM 847 CB LEU A 67 -1.832 -4.154 -3.995 1.00 0.00 C ATOM 848 CG LEU A 67 -2.130 -2.654 -3.896 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.629 -1.927 -5.132 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.617 -2.413 -3.697 1.00 0.00 C ATOM 0 H LEU A 67 -3.723 -6.121 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.351 -4.133 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.293 -4.653 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.755 -4.297 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.603 -2.257 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.850 -0.863 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.552 -2.068 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.125 -2.328 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.806 -1.342 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.169 -2.826 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.944 -2.898 -2.777 1.00 0.00 H new ATOM 862 N THR A 68 -0.636 -5.792 -6.769 1.00 0.00 N ATOM 863 CA THR A 68 0.354 -6.768 -7.202 1.00 0.00 C ATOM 864 C THR A 68 1.705 -6.473 -6.552 1.00 0.00 C ATOM 865 O THR A 68 2.337 -5.459 -6.851 1.00 0.00 O ATOM 866 CB THR A 68 0.514 -6.759 -8.730 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.605 -6.098 -9.336 1.00 0.00 O ATOM 868 CG2 THR A 68 0.622 -8.176 -9.268 1.00 0.00 C ATOM 0 H THR A 68 -0.754 -4.999 -7.400 1.00 0.00 H new ATOM 0 HA THR A 68 0.004 -7.753 -6.894 1.00 0.00 H new ATOM 0 HB THR A 68 1.430 -6.221 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.290 -5.325 -9.850 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.735 -8.146 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.489 -8.668 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.280 -8.732 -9.012 1.00 0.00 H new ATOM 876 N VAL A 69 2.136 -7.348 -5.654 1.00 0.00 N ATOM 877 CA VAL A 69 3.404 -7.162 -4.962 1.00 0.00 C ATOM 878 C VAL A 69 4.577 -7.622 -5.831 1.00 0.00 C ATOM 879 O VAL A 69 4.552 -8.710 -6.414 1.00 0.00 O ATOM 880 CB VAL A 69 3.425 -7.893 -3.597 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.302 -9.401 -3.763 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.678 -7.531 -2.815 1.00 0.00 C ATOM 0 H VAL A 69 1.628 -8.192 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 69 3.512 -6.094 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 69 2.556 -7.559 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.321 -9.878 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.363 -9.637 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.134 -9.770 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.674 -8.055 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.560 -7.823 -3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.699 -6.455 -2.639 1.00 0.00 H new ATOM 892 N ARG A 70 5.587 -6.772 -5.935 1.00 0.00 N ATOM 893 CA ARG A 70 6.773 -7.071 -6.725 1.00 0.00 C ATOM 894 C ARG A 70 7.976 -7.282 -5.810 1.00 0.00 C ATOM 895 O ARG A 70 7.952 -6.890 -4.641 1.00 0.00 O ATOM 896 CB ARG A 70 7.054 -5.930 -7.712 1.00 0.00 C ATOM 897 CG ARG A 70 5.862 -5.570 -8.589 1.00 0.00 C ATOM 898 CD ARG A 70 5.401 -6.760 -9.411 1.00 0.00 C ATOM 899 NE ARG A 70 4.242 -6.449 -10.243 1.00 0.00 N ATOM 900 CZ ARG A 70 3.682 -7.312 -11.089 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.169 -8.539 -11.212 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.633 -6.945 -11.807 1.00 0.00 N ATOM 0 H ARG A 70 5.609 -5.861 -5.477 1.00 0.00 H new ATOM 0 HA ARG A 70 6.596 -7.987 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.363 -5.046 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.891 -6.212 -8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.041 -5.218 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.132 -4.749 -9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.220 -7.098 -10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.154 -7.585 -8.743 1.00 0.00 H new ATOM 0 HE ARG A 70 3.837 -5.515 -10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.976 -8.825 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.737 -9.197 -11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.255 -6.003 -11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.203 -7.604 -12.455 1.00 0.00 H new ATOM 916 N ARG A 71 9.018 -7.906 -6.341 1.00 0.00 N ATOM 917 CA ARG A 71 10.226 -8.163 -5.567 1.00 0.00 C ATOM 918 C ARG A 71 11.125 -6.931 -5.583 1.00 0.00 C ATOM 919 O ARG A 71 11.863 -6.666 -4.634 1.00 0.00 O ATOM 920 CB ARG A 71 10.972 -9.372 -6.130 1.00 0.00 C ATOM 921 CG ARG A 71 11.862 -10.066 -5.110 1.00 0.00 C ATOM 922 CD ARG A 71 11.076 -11.042 -4.247 1.00 0.00 C ATOM 923 NE ARG A 71 10.545 -12.160 -5.032 1.00 0.00 N ATOM 924 CZ ARG A 71 10.414 -13.404 -4.576 1.00 0.00 C ATOM 925 NH1 ARG A 71 10.779 -13.702 -3.337 1.00 0.00 N ATOM 926 NH2 ARG A 71 9.922 -14.350 -5.367 1.00 0.00 N ATOM 0 H ARG A 71 9.052 -8.243 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 71 9.944 -8.381 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.247 -10.089 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.582 -9.051 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.660 -10.599 -5.627 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.337 -9.319 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.720 -11.427 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.254 -10.516 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 71 10.256 -11.972 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.162 -12.977 -2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.677 -14.656 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.645 -14.123 -6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.821 -15.304 -5.020 1.00 0.00 H new ATOM 940 N SER A 72 11.058 -6.191 -6.677 1.00 0.00 N ATOM 941 CA SER A 72 11.831 -4.970 -6.838 1.00 0.00 C ATOM 942 C SER A 72 10.912 -3.879 -7.360 1.00 0.00 C ATOM 943 O SER A 72 10.310 -4.029 -8.422 1.00 0.00 O ATOM 944 CB SER A 72 12.998 -5.196 -7.805 1.00 0.00 C ATOM 945 OG SER A 72 13.595 -6.468 -7.603 1.00 0.00 O ATOM 0 H SER A 72 10.468 -6.419 -7.477 1.00 0.00 H new ATOM 0 HA SER A 72 12.248 -4.671 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.642 -5.118 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.745 -4.415 -7.666 1.00 0.00 H new ATOM 0 HG SER A 72 14.335 -6.586 -8.234 1.00 0.00 H new ATOM 951 N PHE A 73 10.786 -2.795 -6.610 1.00 0.00 N ATOM 952 CA PHE A 73 9.901 -1.710 -7.009 1.00 0.00 C ATOM 953 C PHE A 73 10.553 -0.348 -6.822 1.00 0.00 C ATOM 954 O PHE A 73 11.628 -0.233 -6.230 1.00 0.00 O ATOM 955 CB PHE A 73 8.595 -1.776 -6.207 1.00 0.00 C ATOM 956 CG PHE A 73 8.767 -1.516 -4.733 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.208 -2.515 -3.881 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.490 -0.267 -4.200 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.369 -2.276 -2.530 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.647 -0.022 -2.851 1.00 0.00 C ATOM 961 CZ PHE A 73 9.088 -1.025 -2.013 1.00 0.00 C ATOM 0 H PHE A 73 11.280 -2.643 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 73 9.687 -1.833 -8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.893 -1.048 -6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.147 -2.761 -6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.429 -3.495 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.147 0.525 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.714 -3.065 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.424 0.956 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.213 -0.834 -0.957 1.00 0.00 H new ATOM 971 N GLU A 74 9.891 0.676 -7.340 1.00 0.00 N ATOM 972 CA GLU A 74 10.367 2.044 -7.234 1.00 0.00 C ATOM 973 C GLU A 74 9.745 2.702 -6.010 1.00 0.00 C ATOM 974 O GLU A 74 8.533 2.897 -5.952 1.00 0.00 O ATOM 975 CB GLU A 74 10.015 2.852 -8.495 1.00 0.00 C ATOM 976 CG GLU A 74 9.471 2.018 -9.651 1.00 0.00 C ATOM 977 CD GLU A 74 8.004 1.666 -9.490 1.00 0.00 C ATOM 978 OE1 GLU A 74 7.148 2.515 -9.811 1.00 0.00 O ATOM 979 OE2 GLU A 74 7.705 0.532 -9.050 1.00 0.00 O ATOM 0 H GLU A 74 9.010 0.580 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 74 11.452 2.027 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.277 3.609 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.907 3.380 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.607 2.567 -10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.052 1.100 -9.734 1.00 0.00 H new ATOM 986 N GLY A 75 10.573 3.027 -5.031 1.00 0.00 N ATOM 987 CA GLY A 75 10.082 3.649 -3.821 1.00 0.00 C ATOM 988 C GLY A 75 9.732 5.105 -4.020 1.00 0.00 C ATOM 989 O GLY A 75 10.583 5.913 -4.411 1.00 0.00 O ATOM 0 H GLY A 75 11.581 2.870 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.201 3.111 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.838 3.564 -3.040 1.00 0.00 H new ATOM 993 N PHE A 76 8.484 5.448 -3.734 1.00 0.00 N ATOM 994 CA PHE A 76 8.015 6.810 -3.892 1.00 0.00 C ATOM 995 C PHE A 76 7.375 7.292 -2.607 1.00 0.00 C ATOM 996 O PHE A 76 6.713 6.522 -1.906 1.00 0.00 O ATOM 997 CB PHE A 76 7.007 6.907 -5.038 1.00 0.00 C ATOM 998 CG PHE A 76 7.621 7.178 -6.386 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.481 6.265 -6.971 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.319 8.341 -7.073 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.032 6.508 -8.215 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.862 8.588 -8.318 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.722 7.669 -8.889 1.00 0.00 C ATOM 0 H PHE A 76 7.779 4.796 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 76 8.872 7.441 -4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.444 5.975 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.293 7.699 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.725 5.351 -6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.650 9.064 -6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.705 5.789 -8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.615 9.498 -8.845 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.150 7.861 -9.862 1.00 0.00 H new ATOM 1013 N LEU A 77 7.593 8.555 -2.289 1.00 0.00 N ATOM 1014 CA LEU A 77 7.022 9.138 -1.088 1.00 0.00 C ATOM 1015 C LEU A 77 5.604 9.611 -1.368 1.00 0.00 C ATOM 1016 O LEU A 77 5.194 9.697 -2.528 1.00 0.00 O ATOM 1017 CB LEU A 77 7.883 10.297 -0.581 1.00 0.00 C ATOM 1018 CG LEU A 77 9.334 9.938 -0.260 1.00 0.00 C ATOM 1019 CD1 LEU A 77 10.015 11.085 0.459 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.407 8.670 0.574 1.00 0.00 C ATOM 0 H LEU A 77 8.160 9.196 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 77 6.995 8.375 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.879 11.087 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.420 10.707 0.316 1.00 0.00 H new ATOM 0 HG LEU A 77 9.856 9.756 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.047 10.814 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.001 11.972 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.488 11.296 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.450 8.436 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.868 8.818 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.956 7.845 0.022 1.00 0.00 H new ATOM 1032 N PHE A 78 4.870 9.936 -0.312 1.00 0.00 N ATOM 1033 CA PHE A 78 3.491 10.386 -0.445 1.00 0.00 C ATOM 1034 C PHE A 78 3.411 11.699 -1.217 1.00 0.00 C ATOM 1035 O PHE A 78 2.444 11.951 -1.929 1.00 0.00 O ATOM 1036 CB PHE A 78 2.850 10.545 0.934 1.00 0.00 C ATOM 1037 CG PHE A 78 1.416 10.096 0.986 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.038 8.877 0.446 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.447 10.894 1.570 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.277 8.462 0.488 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.873 10.483 1.613 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.232 9.266 1.072 1.00 0.00 C ATOM 0 H PHE A 78 5.208 9.896 0.649 1.00 0.00 H new ATOM 0 HA PHE A 78 2.943 9.629 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.427 9.975 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.905 11.592 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.782 8.244 -0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.725 11.847 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.558 7.509 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.621 11.114 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.262 8.943 1.106 1.00 0.00 H new ATOM 1052 N ASP A 79 4.436 12.532 -1.074 1.00 0.00 N ATOM 1053 CA ASP A 79 4.480 13.815 -1.772 1.00 0.00 C ATOM 1054 C ASP A 79 4.778 13.615 -3.255 1.00 0.00 C ATOM 1055 O ASP A 79 4.465 14.471 -4.084 1.00 0.00 O ATOM 1056 CB ASP A 79 5.538 14.733 -1.159 1.00 0.00 C ATOM 1057 CG ASP A 79 6.916 14.501 -1.749 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.541 13.476 -1.415 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.369 15.327 -2.564 1.00 0.00 O ATOM 0 H ASP A 79 5.246 12.344 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 79 3.501 14.282 -1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.249 15.772 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.575 14.572 -0.082 1.00 0.00 H new ATOM 1064 N GLY A 80 5.381 12.481 -3.584 1.00 0.00 N ATOM 1065 CA GLY A 80 5.713 12.187 -4.963 1.00 0.00 C ATOM 1066 C GLY A 80 7.209 12.080 -5.184 1.00 0.00 C ATOM 1067 O GLY A 80 7.660 11.766 -6.287 1.00 0.00 O ATOM 0 H GLY A 80 5.647 11.757 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.237 11.252 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.308 12.968 -5.606 1.00 0.00 H new ATOM 1071 N THR A 81 7.983 12.349 -4.138 1.00 0.00 N ATOM 1072 CA THR A 81 9.435 12.278 -4.226 1.00 0.00 C ATOM 1073 C THR A 81 9.902 10.847 -4.472 1.00 0.00 C ATOM 1074 O THR A 81 9.473 9.914 -3.794 1.00 0.00 O ATOM 1075 CB THR A 81 10.100 12.838 -2.951 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.850 14.245 -2.868 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.604 12.586 -2.937 1.00 0.00 C ATOM 0 H THR A 81 7.628 12.618 -3.220 1.00 0.00 H new ATOM 0 HA THR A 81 9.739 12.893 -5.073 1.00 0.00 H new ATOM 0 HB THR A 81 9.669 12.323 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.885 14.409 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.033 12.996 -2.023 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.794 11.513 -2.978 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.062 13.068 -3.801 1.00 0.00 H new ATOM 1085 N ARG A 82 10.772 10.682 -5.457 1.00 0.00 N ATOM 1086 CA ARG A 82 11.303 9.374 -5.799 1.00 0.00 C ATOM 1087 C ARG A 82 12.611 9.136 -5.061 1.00 0.00 C ATOM 1088 O ARG A 82 13.494 9.993 -5.064 1.00 0.00 O ATOM 1089 CB ARG A 82 11.520 9.246 -7.313 1.00 0.00 C ATOM 1090 CG ARG A 82 11.656 10.573 -8.053 1.00 0.00 C ATOM 1091 CD ARG A 82 10.298 11.097 -8.492 1.00 0.00 C ATOM 1092 NE ARG A 82 10.394 12.335 -9.256 1.00 0.00 N ATOM 1093 CZ ARG A 82 9.353 13.122 -9.517 1.00 0.00 C ATOM 1094 NH1 ARG A 82 8.158 12.838 -9.015 1.00 0.00 N ATOM 1095 NH2 ARG A 82 9.507 14.205 -10.261 1.00 0.00 N ATOM 0 H ARG A 82 11.126 11.444 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 82 10.577 8.620 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.418 8.654 -7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.684 8.692 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.140 11.305 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.298 10.443 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.799 10.340 -9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.676 11.265 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 82 11.309 12.613 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.035 12.014 -8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.363 13.444 -9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.426 14.439 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.707 14.806 -10.459 1.00 0.00 H new ATOM 1109 N TRP A 83 12.728 7.984 -4.418 1.00 0.00 N ATOM 1110 CA TRP A 83 13.934 7.660 -3.675 1.00 0.00 C ATOM 1111 C TRP A 83 14.830 6.736 -4.489 1.00 0.00 C ATOM 1112 O TRP A 83 16.037 6.962 -4.598 1.00 0.00 O ATOM 1113 CB TRP A 83 13.576 7.009 -2.341 1.00 0.00 C ATOM 1114 CG TRP A 83 14.535 7.346 -1.238 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.840 6.955 -1.137 1.00 0.00 C ATOM 1116 CD2 TRP A 83 14.260 8.134 -0.075 1.00 0.00 C ATOM 1117 NE1 TRP A 83 16.396 7.462 0.012 1.00 0.00 N ATOM 1118 CE2 TRP A 83 15.446 8.187 0.684 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.128 8.804 0.397 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.527 8.885 1.889 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.210 9.494 1.595 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.402 9.530 2.328 1.00 0.00 C ATOM 0 H TRP A 83 12.007 7.263 -4.396 1.00 0.00 H new ATOM 0 HA TRP A 83 14.477 8.584 -3.479 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.574 7.323 -2.049 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.547 5.927 -2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.359 6.338 -1.855 1.00 0.00 H new ATOM 0 HE1 TRP A 83 17.359 7.322 0.316 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.205 8.784 -0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.446 8.916 2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.340 10.013 1.970 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.435 10.077 3.258 1.00 0.00 H new ATOM 1133 N GLY A 84 14.236 5.703 -5.059 1.00 0.00 N ATOM 1134 CA GLY A 84 14.992 4.763 -5.855 1.00 0.00 C ATOM 1135 C GLY A 84 14.380 3.383 -5.833 1.00 0.00 C ATOM 1136 O GLY A 84 13.284 3.195 -5.303 1.00 0.00 O ATOM 0 H GLY A 84 13.240 5.498 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.045 5.120 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.015 4.712 -5.482 1.00 0.00 H new ATOM 1140 N THR A 85 15.079 2.417 -6.402 1.00 0.00 N ATOM 1141 CA THR A 85 14.593 1.049 -6.439 1.00 0.00 C ATOM 1142 C THR A 85 14.836 0.345 -5.107 1.00 0.00 C ATOM 1143 O THR A 85 15.976 0.217 -4.659 1.00 0.00 O ATOM 1144 CB THR A 85 15.279 0.254 -7.564 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.286 1.031 -8.771 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.569 -1.074 -7.806 1.00 0.00 C ATOM 0 H THR A 85 15.987 2.555 -6.846 1.00 0.00 H new ATOM 0 HA THR A 85 13.521 1.090 -6.630 1.00 0.00 H new ATOM 0 HB THR A 85 16.304 0.042 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.725 0.523 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.074 -1.616 -8.606 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.591 -1.670 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.534 -0.886 -8.092 1.00 0.00 H new ATOM 1154 N VAL A 86 13.761 -0.097 -4.472 1.00 0.00 N ATOM 1155 CA VAL A 86 13.862 -0.792 -3.198 1.00 0.00 C ATOM 1156 C VAL A 86 13.782 -2.297 -3.427 1.00 0.00 C ATOM 1157 O VAL A 86 12.907 -2.780 -4.150 1.00 0.00 O ATOM 1158 CB VAL A 86 12.750 -0.352 -2.218 1.00 0.00 C ATOM 1159 CG1 VAL A 86 13.018 -0.886 -0.819 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.623 1.165 -2.189 1.00 0.00 C ATOM 0 H VAL A 86 12.808 0.013 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 86 14.822 -0.535 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 86 11.808 -0.771 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.222 -0.563 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.051 -1.975 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.973 -0.503 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.835 1.451 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.568 1.603 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.376 1.529 -3.186 1.00 0.00 H new ATOM 1170 N ASP A 87 14.713 -3.030 -2.834 1.00 0.00 N ATOM 1171 CA ASP A 87 14.754 -4.479 -2.987 1.00 0.00 C ATOM 1172 C ASP A 87 13.995 -5.174 -1.864 1.00 0.00 C ATOM 1173 O ASP A 87 14.186 -4.865 -0.686 1.00 0.00 O ATOM 1174 CB ASP A 87 16.201 -4.974 -3.012 1.00 0.00 C ATOM 1175 CG ASP A 87 16.289 -6.485 -3.077 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.230 -7.142 -2.018 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.416 -7.029 -4.191 1.00 0.00 O ATOM 0 H ASP A 87 15.450 -2.647 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 87 14.273 -4.725 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.715 -4.545 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.720 -4.620 -2.121 1.00 0.00 H new ATOM 1182 N CYS A 88 13.133 -6.104 -2.243 1.00 0.00 N ATOM 1183 CA CYS A 88 12.350 -6.864 -1.285 1.00 0.00 C ATOM 1184 C CYS A 88 12.760 -8.336 -1.338 1.00 0.00 C ATOM 1185 O CYS A 88 12.041 -9.218 -0.870 1.00 0.00 O ATOM 1186 CB CYS A 88 10.859 -6.708 -1.588 1.00 0.00 C ATOM 1187 SG CYS A 88 9.795 -6.707 -0.109 1.00 0.00 S ATOM 0 H CYS A 88 12.958 -6.351 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 88 12.538 -6.484 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.706 -5.777 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.546 -7.518 -2.247 1.00 0.00 H new ATOM 1192 N THR A 89 13.932 -8.586 -1.908 1.00 0.00 N ATOM 1193 CA THR A 89 14.461 -9.937 -2.038 1.00 0.00 C ATOM 1194 C THR A 89 15.305 -10.283 -0.817 1.00 0.00 C ATOM 1195 O THR A 89 15.349 -11.433 -0.376 1.00 0.00 O ATOM 1196 CB THR A 89 15.322 -10.073 -3.312 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.868 -9.146 -4.310 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.254 -11.488 -3.867 1.00 0.00 C ATOM 0 H THR A 89 14.540 -7.862 -2.291 1.00 0.00 H new ATOM 0 HA THR A 89 13.619 -10.626 -2.111 1.00 0.00 H new ATOM 0 HB THR A 89 16.356 -9.852 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.589 -8.518 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.869 -11.557 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.623 -12.190 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.221 -11.732 -4.116 1.00 0.00 H new ATOM 1206 N THR A 90 15.972 -9.272 -0.278 1.00 0.00 N ATOM 1207 CA THR A 90 16.811 -9.440 0.898 1.00 0.00 C ATOM 1208 C THR A 90 16.149 -8.799 2.124 1.00 0.00 C ATOM 1209 O THR A 90 16.762 -8.681 3.186 1.00 0.00 O ATOM 1210 CB THR A 90 18.212 -8.818 0.670 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.106 -9.189 1.730 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.134 -7.301 0.581 1.00 0.00 C ATOM 0 H THR A 90 15.947 -8.319 -0.641 1.00 0.00 H new ATOM 0 HA THR A 90 16.930 -10.509 1.077 1.00 0.00 H new ATOM 0 HB THR A 90 18.592 -9.204 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.652 -9.085 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.132 -6.894 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.489 -7.018 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.724 -6.903 1.509 1.00 0.00 H new ATOM 1220 N ALA A 91 14.894 -8.396 1.968 1.00 0.00 N ATOM 1221 CA ALA A 91 14.151 -7.762 3.049 1.00 0.00 C ATOM 1222 C ALA A 91 12.668 -8.114 2.969 1.00 0.00 C ATOM 1223 O ALA A 91 12.285 -9.079 2.304 1.00 0.00 O ATOM 1224 CB ALA A 91 14.343 -6.252 2.991 1.00 0.00 C ATOM 0 H ALA A 91 14.368 -8.498 1.100 1.00 0.00 H new ATOM 0 HA ALA A 91 14.534 -8.134 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.785 -5.783 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.402 -6.016 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.979 -5.875 2.035 1.00 0.00 H new ATOM 1230 N ALA A 92 11.847 -7.330 3.657 1.00 0.00 N ATOM 1231 CA ALA A 92 10.406 -7.529 3.668 1.00 0.00 C ATOM 1232 C ALA A 92 9.694 -6.201 3.422 1.00 0.00 C ATOM 1233 O ALA A 92 10.196 -5.146 3.809 1.00 0.00 O ATOM 1234 CB ALA A 92 9.961 -8.139 4.992 1.00 0.00 C ATOM 0 H ALA A 92 12.162 -6.541 4.221 1.00 0.00 H new ATOM 0 HA ALA A 92 10.141 -8.221 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.880 -8.281 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.452 -9.102 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.232 -7.471 5.810 1.00 0.00 H new ATOM 1240 N CYS A 93 8.533 -6.256 2.788 1.00 0.00 N ATOM 1241 CA CYS A 93 7.772 -5.048 2.487 1.00 0.00 C ATOM 1242 C CYS A 93 6.403 -5.090 3.154 1.00 0.00 C ATOM 1243 O CYS A 93 5.889 -6.164 3.463 1.00 0.00 O ATOM 1244 CB CYS A 93 7.611 -4.886 0.975 1.00 0.00 C ATOM 1245 SG CYS A 93 9.185 -4.777 0.058 1.00 0.00 S ATOM 0 H CYS A 93 8.096 -7.121 2.471 1.00 0.00 H new ATOM 0 HA CYS A 93 8.322 -4.193 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.038 -5.730 0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.027 -3.987 0.778 1.00 0.00 H new ATOM 1250 N GLN A 94 5.811 -3.926 3.367 1.00 0.00 N ATOM 1251 CA GLN A 94 4.507 -3.840 4.004 1.00 0.00 C ATOM 1252 C GLN A 94 3.485 -3.189 3.080 1.00 0.00 C ATOM 1253 O GLN A 94 3.842 -2.543 2.093 1.00 0.00 O ATOM 1254 CB GLN A 94 4.602 -3.055 5.316 1.00 0.00 C ATOM 1255 CG GLN A 94 5.424 -1.777 5.220 1.00 0.00 C ATOM 1256 CD GLN A 94 6.833 -1.944 5.762 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.758 -2.306 5.033 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.008 -1.672 7.045 1.00 0.00 N ATOM 0 H GLN A 94 6.214 -3.026 3.107 1.00 0.00 H new ATOM 0 HA GLN A 94 4.175 -4.855 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.595 -2.802 5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.038 -3.698 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.475 -1.460 4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.919 -0.983 5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.217 -1.375 7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.934 -1.759 7.463 1.00 0.00 H new ATOM 1267 N VAL A 95 2.216 -3.374 3.402 1.00 0.00 N ATOM 1268 CA VAL A 95 1.133 -2.808 2.610 1.00 0.00 C ATOM 1269 C VAL A 95 0.812 -1.396 3.086 1.00 0.00 C ATOM 1270 O VAL A 95 0.457 -1.192 4.247 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.137 -3.679 2.691 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.198 -3.182 1.720 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.195 -5.142 2.424 1.00 0.00 C ATOM 0 H VAL A 95 1.908 -3.914 4.210 1.00 0.00 H new ATOM 0 HA VAL A 95 1.465 -2.777 1.572 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.539 -3.599 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.084 -3.812 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.462 -2.153 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.809 -3.224 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.715 -5.739 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.627 -5.241 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.911 -5.494 3.167 1.00 0.00 H new ATOM 1283 N GLY A 96 0.947 -0.427 2.189 1.00 0.00 N ATOM 1284 CA GLY A 96 0.680 0.951 2.538 1.00 0.00 C ATOM 1285 C GLY A 96 -0.783 1.325 2.418 1.00 0.00 C ATOM 1286 O GLY A 96 -1.302 1.486 1.316 1.00 0.00 O ATOM 0 H GLY A 96 1.238 -0.574 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.011 1.131 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.269 1.603 1.893 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.450 1.450 3.557 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.857 1.819 3.588 1.00 0.00 C ATOM 1292 C LEU A 97 -2.992 3.290 3.963 1.00 0.00 C ATOM 1293 O LEU A 97 -2.846 3.654 5.131 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.615 0.952 4.599 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.548 -0.558 4.351 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -4.252 -1.311 5.468 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.163 -0.909 3.004 1.00 0.00 C ATOM 0 H LEU A 97 -1.035 1.300 4.477 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.286 1.656 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.222 1.157 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.662 1.257 4.601 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.500 -0.857 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.195 -2.383 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.769 -1.086 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.297 -1.005 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.105 -1.986 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.207 -0.595 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.618 -0.397 2.211 1.00 0.00 H new ATOM 1309 N SER A 98 -3.233 4.140 2.976 1.00 0.00 N ATOM 1310 CA SER A 98 -3.368 5.570 3.227 1.00 0.00 C ATOM 1311 C SER A 98 -4.515 6.172 2.420 1.00 0.00 C ATOM 1312 O SER A 98 -4.862 5.675 1.349 1.00 0.00 O ATOM 1313 CB SER A 98 -2.061 6.282 2.879 1.00 0.00 C ATOM 1314 OG SER A 98 -0.937 5.450 3.126 1.00 0.00 O ATOM 0 H SER A 98 -3.339 3.868 1.999 1.00 0.00 H new ATOM 0 HA SER A 98 -3.591 5.707 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.074 6.577 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.975 7.196 3.466 1.00 0.00 H new ATOM 0 HG SER A 98 -0.116 5.932 2.893 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.100 7.237 2.949 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.201 7.931 2.289 1.00 0.00 C ATOM 1322 C ASP A 99 -5.688 9.192 1.596 1.00 0.00 C ATOM 1323 O ASP A 99 -4.491 9.312 1.330 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.284 8.295 3.313 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.935 9.525 4.129 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.969 9.470 4.909 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.623 10.557 3.977 1.00 0.00 O ATOM 0 H ASP A 99 -4.828 7.644 3.844 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.634 7.270 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.226 8.466 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.440 7.451 3.985 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.593 10.125 1.301 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.228 11.382 0.664 1.00 0.00 C ATOM 1334 C ALA A 100 -5.267 12.173 1.552 1.00 0.00 C ATOM 1335 O ALA A 100 -4.356 12.836 1.061 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.474 12.202 0.369 1.00 0.00 C ATOM 0 H ALA A 100 -7.590 10.029 1.496 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.724 11.162 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.188 13.140 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.129 11.641 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.999 12.414 1.300 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.480 12.095 2.863 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.630 12.790 3.820 1.00 0.00 C ATOM 1344 C ALA A 101 -3.389 11.968 4.135 1.00 0.00 C ATOM 1345 O ALA A 101 -2.264 12.459 4.040 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.399 13.096 5.097 1.00 0.00 C ATOM 0 H ALA A 101 -6.236 11.556 3.285 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.315 13.732 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.747 13.615 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.256 13.727 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.746 12.165 5.545 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.593 10.714 4.508 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.476 9.849 4.829 1.00 0.00 C ATOM 1354 C GLY A 102 -2.681 9.088 6.120 1.00 0.00 C ATOM 1355 O GLY A 102 -1.721 8.746 6.809 1.00 0.00 O ATOM 0 H GLY A 102 -4.512 10.279 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.324 9.141 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.568 10.447 4.905 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.935 8.819 6.449 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.271 8.096 7.666 1.00 0.00 C ATOM 1361 C ASN A 103 -5.021 6.816 7.327 1.00 0.00 C ATOM 1362 O ASN A 103 -5.241 6.512 6.152 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.133 8.972 8.582 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.380 10.173 9.121 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.265 10.044 9.629 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.980 11.351 9.013 1.00 0.00 N ATOM 0 H ASN A 103 -4.741 9.092 5.887 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.346 7.841 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.009 9.315 8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.496 8.371 9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.517 12.192 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.904 11.415 8.586 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.414 6.071 8.352 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.137 4.837 8.131 1.00 0.00 C ATOM 1375 C GLY A 104 -5.603 3.701 8.982 1.00 0.00 C ATOM 1376 O GLY A 104 -4.808 3.937 9.894 1.00 0.00 O ATOM 0 H GLY A 104 -5.244 6.300 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.193 4.991 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.071 4.562 7.078 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.028 2.455 8.706 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.581 1.272 9.450 1.00 0.00 C ATOM 1382 C PRO A 105 -4.074 1.063 9.349 1.00 0.00 C ATOM 1383 O PRO A 105 -3.433 1.533 8.407 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.326 0.111 8.780 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.470 0.746 8.068 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.990 2.106 7.651 1.00 0.00 C ATOM 0 HA PRO A 105 -5.790 1.365 10.516 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.678 -0.426 8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.673 -0.613 9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.768 0.155 7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.342 0.822 8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.520 2.084 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.808 2.824 7.597 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.512 0.361 10.322 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.081 0.100 10.342 1.00 0.00 C ATOM 1396 C GLU A 106 -1.675 -0.851 9.220 1.00 0.00 C ATOM 1397 O GLU A 106 -2.426 -1.757 8.856 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.666 -0.483 11.692 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.554 0.556 12.791 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.257 -0.059 14.140 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -2.198 -0.568 14.784 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.083 -0.041 14.563 1.00 0.00 O ATOM 0 H GLU A 106 -4.025 -0.038 11.108 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.568 1.049 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.392 -1.239 11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.706 -0.988 11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.766 1.265 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.485 1.120 12.849 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.490 -0.625 8.671 1.00 0.00 N ATOM 1410 CA GLY A 107 0.007 -1.461 7.601 1.00 0.00 C ATOM 1411 C GLY A 107 0.635 -2.738 8.119 1.00 0.00 C ATOM 1412 O GLY A 107 1.288 -2.737 9.165 1.00 0.00 O ATOM 0 H GLY A 107 0.139 0.128 8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.812 -1.709 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.743 -0.906 7.020 1.00 0.00 H new ATOM 1416 N VAL A 108 0.437 -3.826 7.390 1.00 0.00 N ATOM 1417 CA VAL A 108 0.988 -5.119 7.771 1.00 0.00 C ATOM 1418 C VAL A 108 2.171 -5.473 6.876 1.00 0.00 C ATOM 1419 O VAL A 108 2.101 -5.309 5.654 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.078 -6.235 7.678 1.00 0.00 C ATOM 1421 CG1 VAL A 108 0.488 -7.571 8.140 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.305 -5.869 8.499 1.00 0.00 C ATOM 0 H VAL A 108 -0.105 -3.839 6.526 1.00 0.00 H new ATOM 0 HA VAL A 108 1.321 -5.044 8.806 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.372 -6.333 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.283 -8.338 8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.335 -7.844 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.817 -7.488 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.045 -6.666 8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.019 -5.739 9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.732 -4.940 8.121 1.00 0.00 H new ATOM 1432 N ALA A 109 3.252 -5.945 7.484 1.00 0.00 N ATOM 1433 CA ALA A 109 4.448 -6.320 6.739 1.00 0.00 C ATOM 1434 C ALA A 109 4.378 -7.776 6.299 1.00 0.00 C ATOM 1435 O ALA A 109 4.185 -8.676 7.117 1.00 0.00 O ATOM 1436 CB ALA A 109 5.701 -6.075 7.572 1.00 0.00 C ATOM 0 H ALA A 109 3.325 -6.078 8.493 1.00 0.00 H new ATOM 0 HA ALA A 109 4.499 -5.695 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.582 -6.361 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.765 -5.018 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.654 -6.670 8.484 1.00 0.00 H new ATOM 1442 N ILE A 110 4.536 -8.001 5.004 1.00 0.00 N ATOM 1443 CA ILE A 110 4.489 -9.342 4.447 1.00 0.00 C ATOM 1444 C ILE A 110 5.896 -9.819 4.118 1.00 0.00 C ATOM 1445 O ILE A 110 6.822 -9.016 3.999 1.00 0.00 O ATOM 1446 CB ILE A 110 3.599 -9.409 3.184 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.173 -8.531 2.067 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.175 -8.987 3.525 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.331 -8.517 0.810 1.00 0.00 C ATOM 0 H ILE A 110 4.699 -7.266 4.316 1.00 0.00 H new ATOM 0 HA ILE A 110 4.048 -9.997 5.198 1.00 0.00 H new ATOM 0 HB ILE A 110 3.581 -10.438 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.276 -7.511 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.174 -8.883 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.556 -9.038 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.769 -9.655 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.179 -7.966 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.800 -7.875 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.249 -9.530 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.336 -8.136 1.042 1.00 0.00 H new ATOM 1461 N SER A 111 6.061 -11.122 3.997 1.00 0.00 N ATOM 1462 CA SER A 111 7.359 -11.691 3.696 1.00 0.00 C ATOM 1463 C SER A 111 7.223 -12.814 2.681 1.00 0.00 C ATOM 1464 O SER A 111 6.266 -13.594 2.727 1.00 0.00 O ATOM 1465 CB SER A 111 8.011 -12.203 4.983 1.00 0.00 C ATOM 1466 OG SER A 111 8.014 -11.192 5.979 1.00 0.00 O ATOM 0 H SER A 111 5.312 -11.806 4.103 1.00 0.00 H new ATOM 0 HA SER A 111 7.994 -10.918 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.472 -13.078 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.033 -12.521 4.777 1.00 0.00 H new ATOM 0 HG SER A 111 8.433 -11.538 6.795 1.00 0.00 H new ATOM 1472 N PHE A 112 8.175 -12.877 1.764 1.00 0.00 N ATOM 1473 CA PHE A 112 8.177 -13.895 0.727 1.00 0.00 C ATOM 1474 C PHE A 112 8.880 -15.153 1.224 1.00 0.00 C ATOM 1475 O PHE A 112 9.483 -15.156 2.300 1.00 0.00 O ATOM 1476 CB PHE A 112 8.876 -13.380 -0.537 1.00 0.00 C ATOM 1477 CG PHE A 112 8.356 -12.061 -1.032 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.131 -11.977 -1.674 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.099 -10.905 -0.861 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.655 -10.765 -2.133 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.629 -9.690 -1.318 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.407 -9.619 -1.955 1.00 0.00 C ATOM 0 H PHE A 112 8.962 -12.230 1.717 1.00 0.00 H new ATOM 0 HA PHE A 112 7.142 -14.134 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.943 -13.285 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.765 -14.122 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.541 -12.870 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.057 -10.954 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.698 -10.712 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.218 -8.795 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.039 -8.669 -2.314 1.00 0.00 H new ATOM 1492 N ASN A 113 8.809 -16.218 0.438 1.00 0.00 N ATOM 1493 CA ASN A 113 9.446 -17.475 0.800 1.00 0.00 C ATOM 1494 C ASN A 113 10.846 -17.537 0.207 1.00 0.00 C ATOM 1495 O ASN A 113 11.681 -18.308 0.725 1.00 0.00 O ATOM 1496 CB ASN A 113 8.615 -18.678 0.332 1.00 0.00 C ATOM 1497 CG ASN A 113 8.409 -18.718 -1.171 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.224 -19.269 -1.914 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.302 -18.156 -1.621 1.00 0.00 N ATOM 1500 OXT ASN A 113 11.114 -16.796 -0.763 1.00 0.00 O ATOM 0 H ASN A 113 8.316 -16.236 -0.455 1.00 0.00 H new ATOM 0 HA ASN A 113 9.514 -17.521 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.109 -19.597 0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.643 -18.653 0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.094 -18.167 -2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.655 -17.711 -0.970 1.00 0.00 H new