USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 VAL N :NH3+ -115:sc= -0.124 (180deg=-0.272) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.238 X(o=-0.24,f=0.064) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.35) USER MOD Single : A 20 SER OG : rot 80:sc= 0.258 USER MOD Single : A 21 SER OG : rot 180:sc= 0.132 USER MOD Single : A 25 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0537) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0.0532 (180deg=0.0307) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00826 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 36 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.054) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.731) USER MOD Single : A 43 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= 1.04 K(o=1,f=-4.5!) USER MOD Single : A 55 ASN : amide:sc= -0.612 K(o=-0.61,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.070 11.668 5.886 1.00 0.00 N ATOM 2 CA VAL A 1 6.702 10.408 5.192 1.00 0.00 C ATOM 3 C VAL A 1 5.607 9.690 5.939 1.00 0.00 C ATOM 4 O VAL A 1 5.309 9.998 7.095 1.00 0.00 O ATOM 5 CB VAL A 1 7.914 9.482 5.005 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.956 10.148 4.079 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.537 9.058 6.355 1.00 0.00 C ATOM 0 H1 VAL A 1 6.828 12.480 5.283 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.548 11.735 6.783 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.092 11.672 6.079 1.00 0.00 H new ATOM 0 HA VAL A 1 6.337 10.679 4.201 1.00 0.00 H new ATOM 0 HB VAL A 1 7.566 8.566 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.810 9.482 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.505 10.346 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.289 11.087 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.390 8.404 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.868 9.944 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.793 8.526 6.948 1.00 0.00 H new ATOM 19 N ARG A 2 4.991 8.686 5.276 1.00 0.00 N ATOM 20 CA ARG A 2 4.126 7.723 5.911 1.00 0.00 C ATOM 21 C ARG A 2 4.978 6.503 6.123 1.00 0.00 C ATOM 22 O ARG A 2 5.913 6.249 5.360 1.00 0.00 O ATOM 23 CB ARG A 2 2.934 7.200 5.056 1.00 0.00 C ATOM 24 CG ARG A 2 1.889 8.230 4.585 1.00 0.00 C ATOM 25 CD ARG A 2 2.203 8.872 3.222 1.00 0.00 C ATOM 26 NE ARG A 2 0.925 9.302 2.546 1.00 0.00 N ATOM 27 CZ ARG A 2 0.253 10.457 2.847 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.677 11.285 3.845 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.856 10.783 2.121 1.00 0.00 N ATOM 0 H ARG A 2 5.096 8.538 4.272 1.00 0.00 H new ATOM 0 HA ARG A 2 3.711 8.219 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.343 6.709 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.415 6.435 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.916 7.743 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.808 9.017 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.859 9.732 3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.736 8.161 2.591 1.00 0.00 H new ATOM 0 HE ARG A 2 0.538 8.697 1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.510 11.049 4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.161 12.140 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.171 10.170 1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.369 11.639 2.331 1.00 0.00 H new ATOM 43 N ASP A 3 4.607 5.665 7.113 1.00 0.00 N ATOM 44 CA ASP A 3 4.920 4.264 7.098 1.00 0.00 C ATOM 45 C ASP A 3 3.501 3.831 7.188 1.00 0.00 C ATOM 46 O ASP A 3 2.773 4.374 8.022 1.00 0.00 O ATOM 47 CB ASP A 3 5.698 3.712 8.320 1.00 0.00 C ATOM 48 CG ASP A 3 7.010 4.472 8.509 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.894 4.354 7.620 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.151 5.172 9.547 1.00 0.00 O ATOM 0 H ASP A 3 4.083 5.963 7.935 1.00 0.00 H new ATOM 0 HA ASP A 3 5.562 3.950 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.087 3.802 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.903 2.651 8.179 1.00 0.00 H new ATOM 55 N GLY A 4 3.024 2.972 6.271 1.00 0.00 N ATOM 56 CA GLY A 4 1.632 2.643 6.284 1.00 0.00 C ATOM 57 C GLY A 4 1.544 1.396 5.502 1.00 0.00 C ATOM 58 O GLY A 4 2.549 0.937 4.954 1.00 0.00 O ATOM 0 H GLY A 4 3.578 2.519 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.266 2.501 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.032 3.436 5.837 1.00 0.00 H new ATOM 62 N TYR A 5 0.316 0.857 5.357 1.00 0.00 N ATOM 63 CA TYR A 5 0.055 -0.211 4.431 1.00 0.00 C ATOM 64 C TYR A 5 -0.068 0.471 3.096 1.00 0.00 C ATOM 65 O TYR A 5 -0.724 1.506 3.031 1.00 0.00 O ATOM 66 CB TYR A 5 -1.265 -0.957 4.737 1.00 0.00 C ATOM 67 CG TYR A 5 -1.130 -1.715 6.027 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.448 -2.941 6.044 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.656 -1.213 7.230 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.281 -3.651 7.238 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.516 -1.936 8.424 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.829 -3.159 8.428 1.00 0.00 C ATOM 73 OH TYR A 5 -0.691 -3.913 9.615 1.00 0.00 O ATOM 0 H TYR A 5 -0.502 1.162 5.884 1.00 0.00 H new ATOM 0 HA TYR A 5 0.845 -0.960 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.088 -0.246 4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.503 -1.643 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.047 -3.341 5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.172 -0.264 7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.271 -4.579 7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.937 -1.551 9.341 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.123 -3.439 10.356 1.00 0.00 H new ATOM 83 N ILE A 6 0.573 -0.045 2.020 1.00 0.00 N ATOM 84 CA ILE A 6 0.520 0.577 0.714 1.00 0.00 C ATOM 85 C ILE A 6 -0.667 -0.039 0.019 1.00 0.00 C ATOM 86 O ILE A 6 -1.058 -1.183 0.295 1.00 0.00 O ATOM 87 CB ILE A 6 1.818 0.559 -0.123 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.730 1.455 -1.395 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.250 -0.874 -0.464 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.018 1.578 -2.217 1.00 0.00 C ATOM 0 H ILE A 6 1.132 -0.898 2.052 1.00 0.00 H new ATOM 0 HA ILE A 6 0.407 1.654 0.842 1.00 0.00 H new ATOM 0 HB ILE A 6 2.595 0.997 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.946 1.060 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.419 2.454 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.167 -0.847 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.427 -1.430 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.464 -1.364 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.841 2.224 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.805 2.007 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.325 0.591 -2.562 1.00 0.00 H new ATOM 102 N ALA A 7 -1.271 0.789 -0.860 1.00 0.00 N ATOM 103 CA ALA A 7 -2.506 0.559 -1.515 1.00 0.00 C ATOM 104 C ALA A 7 -2.349 1.037 -2.913 1.00 0.00 C ATOM 105 O ALA A 7 -1.275 1.485 -3.312 1.00 0.00 O ATOM 106 CB ALA A 7 -3.627 1.441 -0.949 1.00 0.00 C ATOM 0 H ALA A 7 -0.855 1.682 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.752 -0.497 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.556 1.233 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.758 1.226 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.364 2.491 -1.077 1.00 0.00 H new ATOM 112 N GLN A 8 -3.488 1.023 -3.632 1.00 0.00 N ATOM 113 CA GLN A 8 -3.719 1.715 -4.864 1.00 0.00 C ATOM 114 C GLN A 8 -4.381 2.989 -4.392 1.00 0.00 C ATOM 115 O GLN A 8 -5.054 2.907 -3.359 1.00 0.00 O ATOM 116 CB GLN A 8 -4.693 0.927 -5.767 1.00 0.00 C ATOM 117 CG GLN A 8 -4.133 -0.457 -6.122 1.00 0.00 C ATOM 118 CD GLN A 8 -5.230 -1.358 -6.687 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.455 -1.378 -7.900 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.929 -2.110 -5.790 1.00 0.00 N ATOM 0 H GLN A 8 -4.304 0.490 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.813 1.865 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.651 0.814 -5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.881 1.490 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.330 -0.353 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.699 -0.917 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.705 -2.058 -4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.676 -2.725 -6.113 1.00 0.00 H new ATOM 129 N PRO A 9 -4.241 4.158 -5.021 1.00 0.00 N ATOM 130 CA PRO A 9 -4.371 5.406 -4.283 1.00 0.00 C ATOM 131 C PRO A 9 -5.756 5.734 -3.806 1.00 0.00 C ATOM 132 O PRO A 9 -5.877 6.476 -2.833 1.00 0.00 O ATOM 133 CB PRO A 9 -3.935 6.483 -5.280 1.00 0.00 C ATOM 134 CG PRO A 9 -2.876 5.779 -6.128 1.00 0.00 C ATOM 135 CD PRO A 9 -3.416 4.348 -6.223 1.00 0.00 C ATOM 0 HA PRO A 9 -3.776 5.336 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.771 6.829 -5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.527 7.357 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.773 6.239 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.894 5.810 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.006 4.211 -7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.603 3.623 -6.259 1.00 0.00 H new ATOM 143 N GLU A 10 -6.819 5.248 -4.483 1.00 0.00 N ATOM 144 CA GLU A 10 -8.159 5.728 -4.254 1.00 0.00 C ATOM 145 C GLU A 10 -8.819 4.941 -3.159 1.00 0.00 C ATOM 146 O GLU A 10 -9.935 4.446 -3.328 1.00 0.00 O ATOM 147 CB GLU A 10 -9.029 5.662 -5.529 1.00 0.00 C ATOM 148 CG GLU A 10 -8.410 6.377 -6.744 1.00 0.00 C ATOM 149 CD GLU A 10 -8.278 7.871 -6.451 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.335 8.528 -6.252 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.121 8.371 -6.419 1.00 0.00 O ATOM 0 H GLU A 10 -6.752 4.519 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.074 6.774 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.203 4.617 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.002 6.104 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.431 5.953 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.033 6.223 -7.625 1.00 0.00 H new ATOM 158 N ASN A 11 -8.128 4.882 -1.996 1.00 0.00 N ATOM 159 CA ASN A 11 -8.646 4.424 -0.728 1.00 0.00 C ATOM 160 C ASN A 11 -8.755 2.923 -0.725 1.00 0.00 C ATOM 161 O ASN A 11 -9.743 2.351 -0.273 1.00 0.00 O ATOM 162 CB ASN A 11 -10.018 5.068 -0.387 1.00 0.00 C ATOM 163 CG ASN A 11 -10.237 5.121 1.120 1.00 0.00 C ATOM 164 OD1 ASN A 11 -10.683 4.198 1.812 1.00 0.00 O ATOM 165 ND2 ASN A 11 -9.868 6.306 1.679 1.00 0.00 N ATOM 0 H ASN A 11 -7.151 5.170 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.944 4.737 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.064 6.076 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.819 4.495 -0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.957 6.445 2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.502 7.055 1.091 1.00 0.00 H new ATOM 172 N CYS A 12 -7.744 2.235 -1.281 1.00 0.00 N ATOM 173 CA CYS A 12 -7.869 0.819 -1.553 1.00 0.00 C ATOM 174 C CYS A 12 -6.848 0.087 -0.724 1.00 0.00 C ATOM 175 O CYS A 12 -6.400 0.583 0.309 1.00 0.00 O ATOM 176 CB CYS A 12 -7.697 0.513 -3.063 1.00 0.00 C ATOM 177 SG CYS A 12 -8.826 1.515 -4.082 1.00 0.00 S ATOM 0 H CYS A 12 -6.847 2.643 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.870 0.482 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.667 0.709 -3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.885 -0.545 -3.244 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.647 1.229 -5.337 1.00 0.00 H new ATOM 182 N VAL A 13 -6.441 -1.113 -1.185 1.00 0.00 N ATOM 183 CA VAL A 13 -5.305 -1.846 -0.716 1.00 0.00 C ATOM 184 C VAL A 13 -4.709 -2.200 -2.043 1.00 0.00 C ATOM 185 O VAL A 13 -5.296 -1.890 -3.084 1.00 0.00 O ATOM 186 CB VAL A 13 -5.596 -3.090 0.122 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.871 -2.669 1.580 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.753 -3.921 -0.457 1.00 0.00 C ATOM 0 H VAL A 13 -6.938 -1.599 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.689 -1.280 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.719 -3.737 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.079 -3.554 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.998 -2.155 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.731 -2.000 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.924 -4.795 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.658 -3.314 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.499 -4.244 -1.467 1.00 0.00 H new ATOM 198 N TYR A 14 -3.530 -2.842 -2.031 1.00 0.00 N ATOM 199 CA TYR A 14 -2.884 -3.446 -3.156 1.00 0.00 C ATOM 200 C TYR A 14 -2.904 -4.786 -2.536 1.00 0.00 C ATOM 201 O TYR A 14 -2.683 -4.851 -1.331 1.00 0.00 O ATOM 202 CB TYR A 14 -1.364 -3.138 -3.301 1.00 0.00 C ATOM 203 CG TYR A 14 -1.025 -2.256 -4.461 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.441 -2.564 -5.768 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.183 -1.154 -4.260 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.092 -1.731 -6.839 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.160 -0.312 -5.323 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.317 -0.586 -6.608 1.00 0.00 C ATOM 209 OH TYR A 14 -0.005 0.281 -7.669 1.00 0.00 O ATOM 0 H TYR A 14 -2.988 -2.947 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.327 -3.197 -4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.011 -2.665 -2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.822 -4.078 -3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.034 -3.449 -5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.206 -0.952 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.419 -1.970 -7.840 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.791 0.547 -5.151 1.00 0.00 H new ATOM 0 HH TYR A 14 0.538 1.025 -7.335 1.00 0.00 H new ATOM 219 N HIS A 15 -3.154 -5.861 -3.294 1.00 0.00 N ATOM 220 CA HIS A 15 -3.056 -7.183 -2.743 1.00 0.00 C ATOM 221 C HIS A 15 -1.638 -7.565 -3.001 1.00 0.00 C ATOM 222 O HIS A 15 -1.058 -7.146 -4.002 1.00 0.00 O ATOM 223 CB HIS A 15 -4.025 -8.201 -3.379 1.00 0.00 C ATOM 224 CG HIS A 15 -5.422 -8.056 -2.835 1.00 0.00 C ATOM 225 ND1 HIS A 15 -6.156 -6.907 -2.954 1.00 0.00 N ATOM 226 CD2 HIS A 15 -6.154 -8.918 -2.089 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.296 -7.068 -2.296 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.320 -8.281 -1.761 1.00 0.00 N ATOM 0 H HIS A 15 -3.421 -5.824 -4.278 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.333 -7.188 -1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.039 -8.063 -4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.665 -9.212 -3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.870 -9.921 -1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.079 -6.330 -2.210 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.078 -8.672 -1.201 1.00 0.00 H new ATOM 237 N CYS A 16 -1.044 -8.336 -2.072 1.00 0.00 N ATOM 238 CA CYS A 16 0.332 -8.724 -2.147 1.00 0.00 C ATOM 239 C CYS A 16 0.380 -10.008 -2.888 1.00 0.00 C ATOM 240 O CYS A 16 -0.635 -10.674 -3.076 1.00 0.00 O ATOM 241 CB CYS A 16 0.968 -8.959 -0.750 1.00 0.00 C ATOM 242 SG CYS A 16 2.782 -8.800 -0.732 1.00 0.00 S ATOM 0 H CYS A 16 -1.529 -8.698 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 16 0.889 -7.923 -2.633 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.543 -8.246 -0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.696 -9.955 -0.400 1.00 0.00 H new ATOM 247 N PHE A 17 1.596 -10.403 -3.283 1.00 0.00 N ATOM 248 CA PHE A 17 1.880 -11.699 -3.789 1.00 0.00 C ATOM 249 C PHE A 17 2.778 -12.173 -2.687 1.00 0.00 C ATOM 250 O PHE A 17 3.840 -11.563 -2.556 1.00 0.00 O ATOM 251 CB PHE A 17 2.697 -11.645 -5.104 1.00 0.00 C ATOM 252 CG PHE A 17 1.966 -10.839 -6.151 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.146 -9.443 -6.231 1.00 0.00 C ATOM 254 CD2 PHE A 17 1.086 -11.456 -7.055 1.00 0.00 C ATOM 255 CE1 PHE A 17 1.462 -8.683 -7.186 1.00 0.00 C ATOM 256 CE2 PHE A 17 0.405 -10.701 -8.018 1.00 0.00 C ATOM 257 CZ PHE A 17 0.592 -9.314 -8.083 1.00 0.00 C ATOM 0 H PHE A 17 2.414 -9.794 -3.248 1.00 0.00 H new ATOM 0 HA PHE A 17 1.000 -12.299 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.675 -11.202 -4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.871 -12.656 -5.472 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.822 -8.953 -5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.933 -12.524 -7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.605 -7.613 -7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.265 -11.188 -8.711 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.065 -8.732 -8.825 1.00 0.00 H new ATOM 267 N PRO A 18 2.454 -13.165 -1.859 1.00 0.00 N ATOM 268 CA PRO A 18 3.358 -13.628 -0.818 1.00 0.00 C ATOM 269 C PRO A 18 4.676 -14.075 -1.395 1.00 0.00 C ATOM 270 O PRO A 18 4.686 -14.793 -2.392 1.00 0.00 O ATOM 271 CB PRO A 18 2.585 -14.773 -0.163 1.00 0.00 C ATOM 272 CG PRO A 18 1.137 -14.270 -0.199 1.00 0.00 C ATOM 273 CD PRO A 18 1.063 -13.493 -1.522 1.00 0.00 C ATOM 0 HA PRO A 18 3.627 -12.851 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.703 -15.707 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.924 -14.958 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.425 -15.095 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.912 -13.631 0.655 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.600 -14.093 -2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.461 -12.590 -1.415 1.00 0.00 H new ATOM 281 N GLY A 19 5.784 -13.570 -0.832 1.00 0.00 N ATOM 282 CA GLY A 19 7.048 -13.505 -1.510 1.00 0.00 C ATOM 283 C GLY A 19 7.401 -12.065 -1.362 1.00 0.00 C ATOM 284 O GLY A 19 8.422 -11.751 -0.756 1.00 0.00 O ATOM 0 H GLY A 19 5.808 -13.197 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.792 -14.157 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.966 -13.800 -2.556 1.00 0.00 H new ATOM 288 N SER A 20 6.492 -11.183 -1.848 1.00 0.00 N ATOM 289 CA SER A 20 6.486 -9.735 -1.770 1.00 0.00 C ATOM 290 C SER A 20 6.801 -9.129 -3.095 1.00 0.00 C ATOM 291 O SER A 20 6.713 -7.910 -3.231 1.00 0.00 O ATOM 292 CB SER A 20 7.391 -9.049 -0.724 1.00 0.00 C ATOM 293 OG SER A 20 7.125 -9.588 0.563 1.00 0.00 O ATOM 0 H SER A 20 5.671 -11.521 -2.351 1.00 0.00 H new ATOM 0 HA SER A 20 5.467 -9.547 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.440 -9.198 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.212 -7.974 -0.723 1.00 0.00 H new ATOM 0 HG SER A 20 7.591 -10.444 0.662 1.00 0.00 H new ATOM 299 N SER A 21 7.159 -9.960 -4.098 1.00 0.00 N ATOM 300 CA SER A 21 7.755 -9.607 -5.365 1.00 0.00 C ATOM 301 C SER A 21 7.164 -8.387 -6.040 1.00 0.00 C ATOM 302 O SER A 21 7.859 -7.414 -6.344 1.00 0.00 O ATOM 303 CB SER A 21 7.679 -10.836 -6.305 1.00 0.00 C ATOM 304 OG SER A 21 7.822 -12.033 -5.532 1.00 0.00 O ATOM 0 H SER A 21 7.020 -10.967 -4.017 1.00 0.00 H new ATOM 0 HA SER A 21 8.787 -9.326 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.727 -10.844 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.464 -10.781 -7.059 1.00 0.00 H new ATOM 0 HG SER A 21 7.773 -12.813 -6.124 1.00 0.00 H new ATOM 310 N GLY A 22 5.831 -8.403 -6.258 1.00 0.00 N ATOM 311 CA GLY A 22 5.153 -7.337 -6.957 1.00 0.00 C ATOM 312 C GLY A 22 5.070 -6.100 -6.119 1.00 0.00 C ATOM 313 O GLY A 22 5.364 -5.007 -6.595 1.00 0.00 O ATOM 0 H GLY A 22 5.217 -9.157 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.681 -7.115 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.149 -7.661 -7.231 1.00 0.00 H new ATOM 317 N CYS A 23 4.688 -6.228 -4.830 1.00 0.00 N ATOM 318 CA CYS A 23 4.466 -5.067 -3.997 1.00 0.00 C ATOM 319 C CYS A 23 5.745 -4.401 -3.614 1.00 0.00 C ATOM 320 O CYS A 23 5.773 -3.179 -3.510 1.00 0.00 O ATOM 321 CB CYS A 23 3.634 -5.346 -2.733 1.00 0.00 C ATOM 322 SG CYS A 23 1.875 -5.122 -3.115 1.00 0.00 S ATOM 0 H CYS A 23 4.533 -7.122 -4.364 1.00 0.00 H new ATOM 0 HA CYS A 23 3.879 -4.396 -4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.815 -6.361 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.933 -4.672 -1.930 1.00 0.00 H new ATOM 327 N ASP A 24 6.843 -5.168 -3.445 1.00 0.00 N ATOM 328 CA ASP A 24 8.150 -4.603 -3.197 1.00 0.00 C ATOM 329 C ASP A 24 8.598 -3.827 -4.420 1.00 0.00 C ATOM 330 O ASP A 24 9.153 -2.739 -4.310 1.00 0.00 O ATOM 331 CB ASP A 24 9.198 -5.689 -2.828 1.00 0.00 C ATOM 332 CG ASP A 24 10.459 -5.114 -2.166 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.492 -3.896 -1.847 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.411 -5.913 -1.964 1.00 0.00 O ATOM 0 H ASP A 24 6.830 -6.187 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 24 8.074 -3.934 -2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.740 -6.413 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.484 -6.230 -3.730 1.00 0.00 H new ATOM 339 N THR A 25 8.303 -4.331 -5.637 1.00 0.00 N ATOM 340 CA THR A 25 8.613 -3.627 -6.865 1.00 0.00 C ATOM 341 C THR A 25 7.803 -2.346 -6.952 1.00 0.00 C ATOM 342 O THR A 25 8.333 -1.288 -7.290 1.00 0.00 O ATOM 343 CB THR A 25 8.346 -4.477 -8.095 1.00 0.00 C ATOM 344 OG1 THR A 25 9.019 -5.731 -7.992 1.00 0.00 O ATOM 345 CG2 THR A 25 8.854 -3.764 -9.368 1.00 0.00 C ATOM 0 H THR A 25 7.846 -5.232 -5.778 1.00 0.00 H new ATOM 0 HA THR A 25 9.678 -3.394 -6.842 1.00 0.00 H new ATOM 0 HB THR A 25 7.269 -4.634 -8.159 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.428 -6.385 -7.564 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.654 -4.388 -10.239 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.340 -2.809 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.927 -3.591 -9.284 1.00 0.00 H new ATOM 353 N LEU A 26 6.495 -2.407 -6.604 1.00 0.00 N ATOM 354 CA LEU A 26 5.604 -1.260 -6.605 1.00 0.00 C ATOM 355 C LEU A 26 6.059 -0.239 -5.597 1.00 0.00 C ATOM 356 O LEU A 26 6.060 0.968 -5.841 1.00 0.00 O ATOM 357 CB LEU A 26 4.146 -1.643 -6.268 1.00 0.00 C ATOM 358 CG LEU A 26 3.459 -2.452 -7.391 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.244 -3.234 -6.860 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.075 -1.553 -8.582 1.00 0.00 C ATOM 0 H LEU A 26 6.040 -3.273 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 26 5.636 -0.852 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.133 -2.227 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.572 -0.736 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 26 4.182 -3.182 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.785 -3.792 -7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.568 -3.928 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.517 -2.537 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.594 -2.156 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.387 -0.778 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.972 -1.089 -8.992 1.00 0.00 H new ATOM 372 N CYS A 27 6.501 -0.731 -4.424 1.00 0.00 N ATOM 373 CA CYS A 27 7.071 0.066 -3.363 1.00 0.00 C ATOM 374 C CYS A 27 8.264 0.845 -3.860 1.00 0.00 C ATOM 375 O CYS A 27 8.370 2.037 -3.583 1.00 0.00 O ATOM 376 CB CYS A 27 7.480 -0.772 -2.122 1.00 0.00 C ATOM 377 SG CYS A 27 7.601 0.202 -0.605 1.00 0.00 S ATOM 0 H CYS A 27 6.463 -1.725 -4.199 1.00 0.00 H new ATOM 0 HA CYS A 27 6.285 0.752 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.752 -1.570 -1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.441 -1.249 -2.316 1.00 0.00 H new ATOM 382 N LYS A 28 9.165 0.213 -4.651 1.00 0.00 N ATOM 383 CA LYS A 28 10.358 0.884 -5.140 1.00 0.00 C ATOM 384 C LYS A 28 10.014 2.033 -6.057 1.00 0.00 C ATOM 385 O LYS A 28 10.608 3.107 -5.975 1.00 0.00 O ATOM 386 CB LYS A 28 11.309 -0.030 -5.956 1.00 0.00 C ATOM 387 CG LYS A 28 11.987 -1.135 -5.133 1.00 0.00 C ATOM 388 CD LYS A 28 12.893 -2.031 -5.994 1.00 0.00 C ATOM 389 CE LYS A 28 13.473 -3.237 -5.238 1.00 0.00 C ATOM 390 NZ LYS A 28 12.414 -4.202 -4.860 1.00 0.00 N ATOM 0 H LYS A 28 9.074 -0.757 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 28 10.856 1.215 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.744 -0.492 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.080 0.588 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.578 -0.682 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.224 -1.748 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.323 -2.391 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.714 -1.431 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.215 -3.736 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.989 -2.892 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.427 -4.346 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.486 -3.829 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.585 -5.110 -5.338 1.00 0.00 H new ATOM 404 N GLU A 29 9.049 1.817 -6.975 1.00 0.00 N ATOM 405 CA GLU A 29 8.740 2.786 -8.004 1.00 0.00 C ATOM 406 C GLU A 29 7.887 3.905 -7.463 1.00 0.00 C ATOM 407 O GLU A 29 7.989 5.035 -7.934 1.00 0.00 O ATOM 408 CB GLU A 29 8.074 2.160 -9.258 1.00 0.00 C ATOM 409 CG GLU A 29 6.756 1.420 -8.984 1.00 0.00 C ATOM 410 CD GLU A 29 6.283 0.671 -10.228 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.013 -0.254 -10.674 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.179 1.004 -10.736 1.00 0.00 O ATOM 0 H GLU A 29 8.478 0.972 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 29 9.699 3.192 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.887 2.950 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.777 1.464 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.893 0.718 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.993 2.132 -8.671 1.00 0.00 H new ATOM 419 N LYS A 30 7.031 3.629 -6.449 1.00 0.00 N ATOM 420 CA LYS A 30 6.204 4.650 -5.836 1.00 0.00 C ATOM 421 C LYS A 30 6.993 5.382 -4.780 1.00 0.00 C ATOM 422 O LYS A 30 6.689 6.528 -4.449 1.00 0.00 O ATOM 423 CB LYS A 30 4.882 4.091 -5.262 1.00 0.00 C ATOM 424 CG LYS A 30 3.978 3.557 -6.391 1.00 0.00 C ATOM 425 CD LYS A 30 2.620 2.974 -5.956 1.00 0.00 C ATOM 426 CE LYS A 30 1.701 3.984 -5.253 1.00 0.00 C ATOM 427 NZ LYS A 30 0.335 3.445 -5.050 1.00 0.00 N ATOM 0 H LYS A 30 6.909 2.698 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 30 5.916 5.351 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.097 3.291 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.360 4.873 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.793 4.369 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.525 2.785 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.107 2.582 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.796 2.132 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.131 4.255 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.646 4.897 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.317 4.225 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.019 2.964 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.343 2.767 -4.261 1.00 0.00 H new ATOM 441 N GLY A 31 8.062 4.745 -4.257 1.00 0.00 N ATOM 442 CA GLY A 31 9.138 5.439 -3.590 1.00 0.00 C ATOM 443 C GLY A 31 9.113 5.191 -2.120 1.00 0.00 C ATOM 444 O GLY A 31 9.214 6.129 -1.333 1.00 0.00 O ATOM 0 H GLY A 31 8.185 3.733 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.094 5.112 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.058 6.509 -3.782 1.00 0.00 H new ATOM 448 N GLY A 32 8.988 3.911 -1.710 1.00 0.00 N ATOM 449 CA GLY A 32 9.140 3.498 -0.339 1.00 0.00 C ATOM 450 C GLY A 32 10.456 2.799 -0.248 1.00 0.00 C ATOM 451 O GLY A 32 10.964 2.271 -1.238 1.00 0.00 O ATOM 0 H GLY A 32 8.776 3.142 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.111 4.358 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.328 2.835 -0.042 1.00 0.00 H new ATOM 455 N THR A 33 11.055 2.799 0.961 1.00 0.00 N ATOM 456 CA THR A 33 12.437 2.443 1.165 1.00 0.00 C ATOM 457 C THR A 33 12.551 0.970 1.443 1.00 0.00 C ATOM 458 O THR A 33 13.620 0.363 1.354 1.00 0.00 O ATOM 459 CB THR A 33 13.024 3.226 2.335 1.00 0.00 C ATOM 460 OG1 THR A 33 12.238 3.089 3.520 1.00 0.00 O ATOM 461 CG2 THR A 33 13.061 4.716 1.938 1.00 0.00 C ATOM 0 H THR A 33 10.569 3.053 1.821 1.00 0.00 H new ATOM 0 HA THR A 33 12.993 2.688 0.260 1.00 0.00 H new ATOM 0 HB THR A 33 14.019 2.836 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.648 3.604 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.477 5.301 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.682 4.841 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.049 5.061 1.724 1.00 0.00 H new ATOM 469 N SER A 34 11.441 0.357 1.871 1.00 0.00 N ATOM 470 CA SER A 34 11.389 -1.035 2.160 1.00 0.00 C ATOM 471 C SER A 34 9.923 -1.211 2.077 1.00 0.00 C ATOM 472 O SER A 34 9.201 -0.215 2.190 1.00 0.00 O ATOM 473 CB SER A 34 11.871 -1.407 3.581 1.00 0.00 C ATOM 474 OG SER A 34 13.136 -0.806 3.836 1.00 0.00 O ATOM 0 H SER A 34 10.556 0.842 2.020 1.00 0.00 H new ATOM 0 HA SER A 34 12.020 -1.643 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.144 -1.072 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.947 -2.490 3.677 1.00 0.00 H new ATOM 0 HG SER A 34 13.435 -1.044 4.738 1.00 0.00 H new ATOM 480 N GLY A 35 9.440 -2.445 1.879 1.00 0.00 N ATOM 481 CA GLY A 35 8.046 -2.675 1.777 1.00 0.00 C ATOM 482 C GLY A 35 8.039 -4.132 1.607 1.00 0.00 C ATOM 483 O GLY A 35 9.117 -4.719 1.489 1.00 0.00 O ATOM 0 H GLY A 35 10.018 -3.281 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.505 -2.357 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.599 -2.155 0.930 1.00 0.00 H new ATOM 487 N HIS A 36 6.835 -4.726 1.631 1.00 0.00 N ATOM 488 CA HIS A 36 6.640 -6.142 1.588 1.00 0.00 C ATOM 489 C HIS A 36 5.151 -6.209 1.694 1.00 0.00 C ATOM 490 O HIS A 36 4.493 -5.206 1.413 1.00 0.00 O ATOM 491 CB HIS A 36 7.368 -6.965 2.692 1.00 0.00 C ATOM 492 CG HIS A 36 7.304 -6.388 4.082 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.282 -6.615 5.015 1.00 0.00 N ATOM 494 CD2 HIS A 36 6.351 -5.642 4.682 1.00 0.00 C ATOM 495 CE1 HIS A 36 7.932 -6.013 6.143 1.00 0.00 C ATOM 496 NE2 HIS A 36 6.762 -5.414 5.968 1.00 0.00 N ATOM 0 H HIS A 36 5.962 -4.201 1.682 1.00 0.00 H new ATOM 0 HA HIS A 36 7.072 -6.600 0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.941 -7.968 2.714 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.415 -7.071 2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.435 -5.291 4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.507 -6.011 7.057 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.255 -4.876 6.671 1.00 0.00 H new ATOM 505 N CYS A 37 4.582 -7.363 2.093 1.00 0.00 N ATOM 506 CA CYS A 37 3.157 -7.544 2.228 1.00 0.00 C ATOM 507 C CYS A 37 2.655 -6.891 3.486 1.00 0.00 C ATOM 508 O CYS A 37 3.416 -6.345 4.283 1.00 0.00 O ATOM 509 CB CYS A 37 2.752 -9.040 2.274 1.00 0.00 C ATOM 510 SG CYS A 37 3.326 -9.976 0.824 1.00 0.00 S ATOM 0 H CYS A 37 5.122 -8.195 2.329 1.00 0.00 H new ATOM 0 HA CYS A 37 2.710 -7.082 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.160 -9.494 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.667 -9.115 2.342 1.00 0.00 H new ATOM 515 N GLY A 38 1.332 -6.944 3.701 1.00 0.00 N ATOM 516 CA GLY A 38 0.730 -6.396 4.864 1.00 0.00 C ATOM 517 C GLY A 38 -0.584 -7.071 4.774 1.00 0.00 C ATOM 518 O GLY A 38 -0.813 -7.851 3.845 1.00 0.00 O ATOM 0 H GLY A 38 0.672 -7.375 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.271 -6.645 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.650 -5.310 4.827 1.00 0.00 H new ATOM 522 N PHE A 39 -1.492 -6.797 5.718 1.00 0.00 N ATOM 523 CA PHE A 39 -2.768 -7.424 5.760 1.00 0.00 C ATOM 524 C PHE A 39 -3.548 -6.252 6.238 1.00 0.00 C ATOM 525 O PHE A 39 -2.959 -5.318 6.782 1.00 0.00 O ATOM 526 CB PHE A 39 -2.835 -8.604 6.773 1.00 0.00 C ATOM 527 CG PHE A 39 -4.102 -9.403 6.613 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.358 -10.081 5.408 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.047 -9.482 7.651 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.548 -10.793 5.228 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.236 -10.204 7.478 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.490 -10.855 6.263 1.00 0.00 C ATOM 0 H PHE A 39 -1.336 -6.125 6.469 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.093 -7.889 4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.973 -9.256 6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.776 -8.215 7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.628 -10.052 4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.855 -8.982 8.589 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.741 -11.295 4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.956 -10.259 8.281 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.410 -11.403 6.125 1.00 0.00 H new ATOM 542 N LYS A 40 -4.869 -6.278 6.032 1.00 0.00 N ATOM 543 CA LYS A 40 -5.797 -5.358 6.591 1.00 0.00 C ATOM 544 C LYS A 40 -6.932 -6.313 6.673 1.00 0.00 C ATOM 545 O LYS A 40 -6.870 -7.390 6.076 1.00 0.00 O ATOM 546 CB LYS A 40 -6.206 -4.178 5.673 1.00 0.00 C ATOM 547 CG LYS A 40 -5.231 -2.988 5.690 1.00 0.00 C ATOM 548 CD LYS A 40 -5.129 -2.252 7.042 1.00 0.00 C ATOM 549 CE LYS A 40 -6.464 -1.789 7.652 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.228 -0.936 6.713 1.00 0.00 N ATOM 0 H LYS A 40 -5.314 -6.981 5.442 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.437 -4.850 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.295 -4.544 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.193 -3.827 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.240 -3.345 5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.539 -2.274 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.633 -2.909 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.488 -1.380 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.062 -2.659 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.272 -1.236 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.585 -0.099 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.607 -0.634 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.029 -1.476 6.327 1.00 0.00 H new ATOM 564 N VAL A 41 -7.988 -5.938 7.405 1.00 0.00 N ATOM 565 CA VAL A 41 -9.216 -6.657 7.486 1.00 0.00 C ATOM 566 C VAL A 41 -10.070 -5.447 7.292 1.00 0.00 C ATOM 567 O VAL A 41 -9.583 -4.332 7.501 1.00 0.00 O ATOM 568 CB VAL A 41 -9.501 -7.344 8.824 1.00 0.00 C ATOM 569 CG1 VAL A 41 -10.087 -8.739 8.525 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.211 -7.440 9.673 1.00 0.00 C ATOM 0 H VAL A 41 -7.986 -5.089 7.970 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.318 -7.507 6.811 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.218 -6.764 9.406 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.300 -9.253 9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.008 -8.632 7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.367 -9.320 7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.434 -7.931 10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.462 -8.018 9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.827 -6.438 9.866 1.00 0.00 H new ATOM 580 N GLY A 42 -11.317 -5.609 6.821 1.00 0.00 N ATOM 581 CA GLY A 42 -12.129 -4.488 6.410 1.00 0.00 C ATOM 582 C GLY A 42 -12.014 -4.460 4.923 1.00 0.00 C ATOM 583 O GLY A 42 -13.000 -4.641 4.216 1.00 0.00 O ATOM 0 H GLY A 42 -11.773 -6.516 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.165 -4.614 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.772 -3.558 6.852 1.00 0.00 H new ATOM 587 N HIS A 43 -10.772 -4.289 4.418 1.00 0.00 N ATOM 588 CA HIS A 43 -10.462 -4.522 3.029 1.00 0.00 C ATOM 589 C HIS A 43 -10.057 -5.971 2.951 1.00 0.00 C ATOM 590 O HIS A 43 -10.907 -6.840 2.783 1.00 0.00 O ATOM 591 CB HIS A 43 -9.358 -3.596 2.461 1.00 0.00 C ATOM 592 CG HIS A 43 -9.799 -2.165 2.248 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.102 -1.317 1.430 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.820 -1.449 2.779 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.677 -0.125 1.467 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.726 -0.176 2.277 1.00 0.00 N ATOM 0 H HIS A 43 -9.974 -3.986 4.976 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.331 -4.293 2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.506 -3.605 3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.011 -4.003 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.568 -1.813 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.345 0.748 0.925 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.355 0.598 2.490 1.00 0.00 H new ATOM 605 N GLY A 44 -8.762 -6.304 3.103 1.00 0.00 N ATOM 606 CA GLY A 44 -8.342 -7.668 3.056 1.00 0.00 C ATOM 607 C GLY A 44 -6.890 -7.467 2.860 1.00 0.00 C ATOM 608 O GLY A 44 -6.405 -6.381 3.185 1.00 0.00 O ATOM 0 H GLY A 44 -8.011 -5.632 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.570 -8.209 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.803 -8.221 2.238 1.00 0.00 H new ATOM 612 N LEU A 45 -6.200 -8.482 2.292 1.00 0.00 N ATOM 613 CA LEU A 45 -4.780 -8.544 2.001 1.00 0.00 C ATOM 614 C LEU A 45 -4.279 -7.256 1.399 1.00 0.00 C ATOM 615 O LEU A 45 -4.849 -6.766 0.424 1.00 0.00 O ATOM 616 CB LEU A 45 -4.515 -9.720 1.022 1.00 0.00 C ATOM 617 CG LEU A 45 -3.062 -9.933 0.533 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.096 -10.395 1.637 1.00 0.00 C ATOM 619 CD2 LEU A 45 -3.044 -10.928 -0.643 1.00 0.00 C ATOM 0 H LEU A 45 -6.675 -9.339 2.009 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.243 -8.702 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.845 -10.640 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.147 -9.576 0.145 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.701 -8.957 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.098 -10.523 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.064 -9.647 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.441 -11.344 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.018 -11.073 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.457 -11.883 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.644 -10.533 -1.463 1.00 0.00 H new ATOM 631 N ALA A 46 -3.214 -6.677 2.002 1.00 0.00 N ATOM 632 CA ALA A 46 -2.767 -5.348 1.700 1.00 0.00 C ATOM 633 C ALA A 46 -1.307 -5.479 1.394 1.00 0.00 C ATOM 634 O ALA A 46 -0.803 -6.599 1.301 1.00 0.00 O ATOM 635 CB ALA A 46 -3.010 -4.370 2.862 1.00 0.00 C ATOM 0 H ALA A 46 -2.654 -7.145 2.714 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.324 -4.931 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.654 -3.378 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.077 -4.324 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.472 -4.713 3.745 1.00 0.00 H new ATOM 641 N CYS A 47 -0.568 -4.356 1.246 1.00 0.00 N ATOM 642 CA CYS A 47 0.865 -4.446 1.129 1.00 0.00 C ATOM 643 C CYS A 47 1.337 -3.437 2.107 1.00 0.00 C ATOM 644 O CYS A 47 0.496 -2.766 2.698 1.00 0.00 O ATOM 645 CB CYS A 47 1.370 -4.141 -0.288 1.00 0.00 C ATOM 646 SG CYS A 47 0.972 -5.530 -1.365 1.00 0.00 S ATOM 0 H CYS A 47 -0.948 -3.410 1.208 1.00 0.00 H new ATOM 0 HA CYS A 47 1.236 -5.452 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.907 -3.228 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.447 -3.971 -0.275 1.00 0.00 H new ATOM 651 N TRP A 48 2.662 -3.294 2.329 1.00 0.00 N ATOM 652 CA TRP A 48 3.192 -2.366 3.299 1.00 0.00 C ATOM 653 C TRP A 48 4.370 -1.722 2.630 1.00 0.00 C ATOM 654 O TRP A 48 4.968 -2.320 1.736 1.00 0.00 O ATOM 655 CB TRP A 48 3.583 -3.091 4.624 1.00 0.00 C ATOM 656 CG TRP A 48 4.430 -2.325 5.627 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.788 -2.193 5.606 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.964 -1.530 6.731 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.198 -1.323 6.579 1.00 0.00 N ATOM 660 CE2 TRP A 48 5.095 -0.890 7.282 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.695 -1.315 7.252 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.964 0.003 8.342 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.563 -0.437 8.338 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.681 0.224 8.865 1.00 0.00 C ATOM 0 H TRP A 48 3.376 -3.826 1.832 1.00 0.00 H new ATOM 0 HA TRP A 48 2.456 -1.619 3.595 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.663 -3.394 5.124 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.118 -4.004 4.361 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.446 -2.703 4.918 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.162 -1.041 6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.832 -1.811 6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.825 0.511 8.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.589 -0.268 8.773 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.553 0.914 9.686 1.00 0.00 H new ATOM 675 N CYS A 49 4.719 -0.481 3.054 1.00 0.00 N ATOM 676 CA CYS A 49 5.921 0.195 2.650 1.00 0.00 C ATOM 677 C CYS A 49 6.326 0.977 3.855 1.00 0.00 C ATOM 678 O CYS A 49 5.479 1.375 4.652 1.00 0.00 O ATOM 679 CB CYS A 49 5.745 1.226 1.525 1.00 0.00 C ATOM 680 SG CYS A 49 5.659 0.479 -0.119 1.00 0.00 S ATOM 0 H CYS A 49 4.145 0.065 3.697 1.00 0.00 H new ATOM 0 HA CYS A 49 6.623 -0.553 2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.835 1.799 1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.576 1.931 1.554 1.00 0.00 H new ATOM 685 N ASN A 50 7.640 1.241 3.982 1.00 0.00 N ATOM 686 CA ASN A 50 8.167 2.168 4.947 1.00 0.00 C ATOM 687 C ASN A 50 8.635 3.326 4.129 1.00 0.00 C ATOM 688 O ASN A 50 9.158 3.135 3.032 1.00 0.00 O ATOM 689 CB ASN A 50 9.402 1.671 5.745 1.00 0.00 C ATOM 690 CG ASN A 50 8.960 0.713 6.851 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.736 -0.479 6.610 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.816 1.241 8.103 1.00 0.00 N ATOM 0 H ASN A 50 8.356 0.802 3.403 1.00 0.00 H new ATOM 0 HA ASN A 50 7.389 2.366 5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.100 1.169 5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.931 2.520 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.515 0.647 8.875 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.010 2.229 8.265 1.00 0.00 H new ATOM 699 N ALA A 51 8.456 4.544 4.689 1.00 0.00 N ATOM 700 CA ALA A 51 8.926 5.817 4.206 1.00 0.00 C ATOM 701 C ALA A 51 8.478 6.118 2.808 1.00 0.00 C ATOM 702 O ALA A 51 9.291 6.297 1.904 1.00 0.00 O ATOM 703 CB ALA A 51 10.440 6.043 4.366 1.00 0.00 C ATOM 0 H ALA A 51 7.934 4.645 5.560 1.00 0.00 H new ATOM 0 HA ALA A 51 8.445 6.537 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.704 7.026 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.707 5.988 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.983 5.276 3.814 1.00 0.00 H new ATOM 709 N LEU A 52 7.143 6.218 2.631 1.00 0.00 N ATOM 710 CA LEU A 52 6.548 6.673 1.397 1.00 0.00 C ATOM 711 C LEU A 52 6.311 8.133 1.637 1.00 0.00 C ATOM 712 O LEU A 52 5.816 8.452 2.718 1.00 0.00 O ATOM 713 CB LEU A 52 5.164 6.061 1.072 1.00 0.00 C ATOM 714 CG LEU A 52 5.214 4.631 0.496 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.817 3.999 0.545 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.762 4.564 -0.944 1.00 0.00 C ATOM 0 H LEU A 52 6.463 5.980 3.353 1.00 0.00 H new ATOM 0 HA LEU A 52 7.205 6.402 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.563 6.052 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.653 6.708 0.359 1.00 0.00 H new ATOM 0 HG LEU A 52 5.910 4.072 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.860 2.989 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.472 3.958 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.125 4.600 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.768 3.528 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.128 5.158 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.778 4.959 -0.965 1.00 0.00 H new ATOM 728 N PRO A 53 6.617 9.057 0.741 1.00 0.00 N ATOM 729 CA PRO A 53 6.352 10.464 0.972 1.00 0.00 C ATOM 730 C PRO A 53 4.877 10.772 0.908 1.00 0.00 C ATOM 731 O PRO A 53 4.065 9.899 0.608 1.00 0.00 O ATOM 732 CB PRO A 53 7.107 11.182 -0.154 1.00 0.00 C ATOM 733 CG PRO A 53 8.233 10.218 -0.529 1.00 0.00 C ATOM 734 CD PRO A 53 7.567 8.855 -0.354 1.00 0.00 C ATOM 0 HA PRO A 53 6.674 10.780 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.456 11.383 -1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.500 12.142 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.578 10.374 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.100 10.333 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.061 8.539 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.297 8.083 -0.110 1.00 0.00 H new ATOM 742 N ASP A 54 4.516 12.034 1.179 1.00 0.00 N ATOM 743 CA ASP A 54 3.152 12.431 1.419 1.00 0.00 C ATOM 744 C ASP A 54 2.313 12.494 0.171 1.00 0.00 C ATOM 745 O ASP A 54 1.098 12.665 0.247 1.00 0.00 O ATOM 746 CB ASP A 54 3.092 13.833 2.056 1.00 0.00 C ATOM 747 CG ASP A 54 3.877 13.843 3.369 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.454 13.135 4.322 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.921 14.545 3.427 1.00 0.00 O ATOM 0 H ASP A 54 5.182 12.804 1.235 1.00 0.00 H new ATOM 0 HA ASP A 54 2.754 11.662 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.506 14.572 1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.055 14.114 2.240 1.00 0.00 H new ATOM 754 N ASN A 55 2.935 12.362 -1.018 1.00 0.00 N ATOM 755 CA ASN A 55 2.236 12.421 -2.282 1.00 0.00 C ATOM 756 C ASN A 55 1.698 11.065 -2.637 1.00 0.00 C ATOM 757 O ASN A 55 0.972 10.927 -3.619 1.00 0.00 O ATOM 758 CB ASN A 55 3.118 12.908 -3.471 1.00 0.00 C ATOM 759 CG ASN A 55 4.373 12.035 -3.644 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.278 12.129 -2.809 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.410 11.176 -4.702 1.00 0.00 N ATOM 0 H ASN A 55 3.940 12.212 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 55 1.438 13.150 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.532 12.889 -4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.415 13.943 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.217 10.566 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.631 11.143 -5.360 1.00 0.00 H new ATOM 768 N VAL A 56 2.069 10.017 -1.873 1.00 0.00 N ATOM 769 CA VAL A 56 1.689 8.672 -2.200 1.00 0.00 C ATOM 770 C VAL A 56 0.415 8.430 -1.440 1.00 0.00 C ATOM 771 O VAL A 56 0.362 8.652 -0.234 1.00 0.00 O ATOM 772 CB VAL A 56 2.749 7.641 -1.827 1.00 0.00 C ATOM 773 CG1 VAL A 56 2.429 6.326 -2.566 1.00 0.00 C ATOM 774 CG2 VAL A 56 4.150 8.204 -2.180 1.00 0.00 C ATOM 0 H VAL A 56 2.633 10.101 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 56 1.565 8.562 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 56 2.748 7.432 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.177 5.575 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.442 5.972 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.441 6.501 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.913 7.472 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.200 8.411 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.323 9.125 -1.623 1.00 0.00 H new ATOM 784 N GLY A 57 -0.659 7.970 -2.116 1.00 0.00 N ATOM 785 CA GLY A 57 -1.895 7.675 -1.442 1.00 0.00 C ATOM 786 C GLY A 57 -1.850 6.210 -1.212 1.00 0.00 C ATOM 787 O GLY A 57 -1.354 5.452 -2.047 1.00 0.00 O ATOM 0 H GLY A 57 -0.674 7.803 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.976 8.222 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.756 7.956 -2.049 1.00 0.00 H new ATOM 791 N ILE A 58 -2.328 5.795 -0.033 1.00 0.00 N ATOM 792 CA ILE A 58 -2.110 4.485 0.501 1.00 0.00 C ATOM 793 C ILE A 58 -3.440 4.106 1.103 1.00 0.00 C ATOM 794 O ILE A 58 -4.468 4.602 0.638 1.00 0.00 O ATOM 795 CB ILE A 58 -0.959 4.480 1.498 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.113 5.498 2.651 1.00 0.00 C ATOM 797 CG2 ILE A 58 0.361 4.740 0.745 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.158 5.182 3.799 1.00 0.00 C ATOM 0 H ILE A 58 -2.889 6.391 0.576 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.803 3.757 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.960 3.497 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.919 6.504 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.140 5.486 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.190 4.738 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.516 3.958 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.311 5.708 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.290 5.915 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.371 4.185 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.870 5.219 3.438 1.00 0.00 H new ATOM 810 N ILE A 59 -3.469 3.241 2.157 1.00 0.00 N ATOM 811 CA ILE A 59 -4.659 3.003 2.969 1.00 0.00 C ATOM 812 C ILE A 59 -4.881 4.321 3.662 1.00 0.00 C ATOM 813 O ILE A 59 -4.008 4.812 4.375 1.00 0.00 O ATOM 814 CB ILE A 59 -4.555 1.879 4.021 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.753 0.463 3.423 1.00 0.00 C ATOM 816 CG2 ILE A 59 -5.614 2.041 5.147 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.724 -0.010 2.401 1.00 0.00 C ATOM 0 H ILE A 59 -2.658 2.698 2.453 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.468 2.662 2.324 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.544 1.972 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.767 -0.252 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.736 0.428 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.507 1.230 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.466 2.996 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.614 2.011 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.981 -1.014 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.720 0.669 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.735 -0.023 2.859 1.00 0.00 H new ATOM 829 N VAL A 60 -6.039 4.942 3.406 1.00 0.00 N ATOM 830 CA VAL A 60 -6.332 6.286 3.767 1.00 0.00 C ATOM 831 C VAL A 60 -7.725 6.047 4.236 1.00 0.00 C ATOM 832 O VAL A 60 -8.377 5.139 3.717 1.00 0.00 O ATOM 833 CB VAL A 60 -6.248 7.195 2.534 1.00 0.00 C ATOM 834 CG1 VAL A 60 -7.143 8.447 2.607 1.00 0.00 C ATOM 835 CG2 VAL A 60 -4.769 7.594 2.339 1.00 0.00 C ATOM 0 H VAL A 60 -6.810 4.482 2.922 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.679 6.782 4.485 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.627 6.632 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.023 9.034 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.185 8.144 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.855 9.050 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.679 8.242 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.416 8.124 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.167 6.698 2.189 1.00 0.00 H new