USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 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 68 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 70 THR OG1 : rot 77:sc= -0.15 USER MOD Set 2.1: A 35 THR OG1 : rot 175:sc= -0.225! USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0.00345 USER MOD Set 3.1: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 69 LYS NZ :NH3+ -149:sc= 0.0104 (180deg=-1.88!) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.0409 USER MOD Set 4.2: A 6 ASN :FLIP amide:sc= -1.34 F(o=-2.2,f=-1.3) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0307 F(o=-0.76,f=-0.031) USER MOD Single : A 11 TYR OH : rot -79:sc= 1.06 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -110:sc= -0.45 USER MOD Single : A 22 TYR OH : rot -114:sc= -0.491 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.34) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -0.357 (180deg=-1.52!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.781 X(o=-0.78,f=-0.4) USER MOD Single : A 54 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.3!) USER MOD Single : A 56 ASN :FLIP amide:sc= -5.15! C(o=-9!,f=-5.1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -174:sc= 0.599 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0747 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.436 -1.444 -2.997 1.00 64.24 N ATOM 12 CA TYR A 2 -0.008 -2.433 -3.965 1.00 33.23 C ATOM 13 C TYR A 2 1.133 -2.837 -4.900 1.00 23.52 C ATOM 14 O TYR A 2 2.084 -2.080 -5.088 1.00 51.02 O ATOM 15 CB TYR A 2 -1.108 -1.756 -4.785 1.00 30.11 C ATOM 16 CG TYR A 2 -2.479 -1.753 -4.105 1.00 62.33 C ATOM 17 CD1 TYR A 2 -2.927 -2.883 -3.452 1.00 33.14 C ATOM 18 CD2 TYR A 2 -3.267 -0.621 -4.146 1.00 22.11 C ATOM 19 CE1 TYR A 2 -4.217 -2.880 -2.812 1.00 34.50 C ATOM 20 CE2 TYR A 2 -4.557 -0.618 -3.506 1.00 61.43 C ATOM 21 CZ TYR A 2 -4.969 -1.748 -2.871 1.00 25.22 C ATOM 22 OH TYR A 2 -6.187 -1.746 -2.267 1.00 0.23 O ATOM 0 HA TYR A 2 -0.357 -3.334 -3.460 1.00 33.23 H new ATOM 0 HB2 TYR A 2 -0.813 -0.727 -4.990 1.00 30.11 H new ATOM 0 HB3 TYR A 2 -1.192 -2.261 -5.747 1.00 30.11 H new ATOM 0 HD1 TYR A 2 -2.311 -3.769 -3.421 1.00 33.14 H new ATOM 0 HD2 TYR A 2 -2.916 0.263 -4.658 1.00 22.11 H new ATOM 0 HE1 TYR A 2 -4.579 -3.757 -2.297 1.00 34.50 H new ATOM 0 HE2 TYR A 2 -5.183 0.262 -3.530 1.00 61.43 H new ATOM 0 HH TYR A 2 -6.611 -0.871 -2.389 1.00 0.23 H new ATOM 32 N VAL A 3 1.002 -4.030 -5.461 1.00 33.52 N ATOM 33 CA VAL A 3 2.010 -4.545 -6.372 1.00 3.53 C ATOM 34 C VAL A 3 1.327 -5.087 -7.629 1.00 22.14 C ATOM 35 O VAL A 3 0.311 -5.753 -7.608 1.00 31.11 O ATOM 36 CB VAL A 3 2.873 -5.590 -5.661 1.00 51.25 C ATOM 37 CG1 VAL A 3 3.406 -6.626 -6.653 1.00 1.11 C ATOM 38 CG2 VAL A 3 4.017 -4.926 -4.893 1.00 44.13 C ATOM 0 H VAL A 3 0.212 -4.655 -5.302 1.00 33.52 H new ATOM 0 HA VAL A 3 2.683 -3.748 -6.687 1.00 3.53 H new ATOM 0 HB VAL A 3 2.244 -6.110 -4.939 1.00 51.25 H new ATOM 0 HG11 VAL A 3 4.016 -7.357 -6.123 1.00 1.11 H new ATOM 0 HG12 VAL A 3 2.570 -7.132 -7.135 1.00 1.11 H new ATOM 0 HG13 VAL A 3 4.013 -6.127 -7.409 1.00 1.11 H new ATOM 0 HG21 VAL A 3 4.615 -5.691 -4.397 1.00 44.13 H new ATOM 0 HG22 VAL A 3 4.645 -4.368 -5.587 1.00 44.13 H new ATOM 0 HG23 VAL A 3 3.607 -4.245 -4.147 1.00 44.13 H new ATOM 48 N ASP A 4 1.917 -4.783 -8.751 1.00 64.45 N ATOM 49 CA ASP A 4 1.353 -5.258 -10.046 1.00 71.32 C ATOM 50 C ASP A 4 2.101 -6.511 -10.515 1.00 55.34 C ATOM 51 O ASP A 4 3.306 -6.584 -10.280 1.00 35.04 O ATOM 52 CB ASP A 4 1.576 -4.103 -11.023 1.00 14.35 C ATOM 53 CG ASP A 4 0.998 -4.470 -12.390 1.00 51.12 C ATOM 54 OD1 ASP A 4 0.499 -5.576 -12.524 1.00 11.41 O ATOM 55 OD2 ASP A 4 1.065 -3.641 -13.283 1.00 52.21 O ATOM 0 H ASP A 4 2.767 -4.225 -8.828 1.00 64.45 H new ATOM 0 HA ASP A 4 0.299 -5.525 -9.967 1.00 71.32 H new ATOM 0 HB2 ASP A 4 1.100 -3.198 -10.647 1.00 14.35 H new ATOM 0 HB3 ASP A 4 2.641 -3.889 -11.113 1.00 14.35 H new ATOM 60 N THR A 5 1.401 -7.444 -11.144 1.00 52.55 N ATOM 61 CA THR A 5 2.034 -8.663 -11.616 1.00 61.25 C ATOM 62 C THR A 5 2.204 -8.622 -13.136 1.00 44.13 C ATOM 63 O THR A 5 2.469 -9.647 -13.763 1.00 5.40 O ATOM 64 CB THR A 5 1.198 -9.849 -11.131 1.00 13.42 C ATOM 65 OG1 THR A 5 -0.135 -9.510 -11.504 1.00 41.54 O ATOM 66 CG2 THR A 5 1.145 -9.941 -9.604 1.00 74.54 C ATOM 0 H THR A 5 0.402 -7.380 -11.338 1.00 52.55 H new ATOM 0 HA THR A 5 3.040 -8.768 -11.210 1.00 61.25 H new ATOM 0 HB THR A 5 1.609 -10.773 -11.537 1.00 13.42 H new ATOM 0 HG1 THR A 5 -0.744 -10.227 -11.228 1.00 41.54 H new ATOM 0 HG21 THR A 5 0.540 -10.799 -9.312 1.00 74.54 H new ATOM 0 HG22 THR A 5 2.155 -10.059 -9.211 1.00 74.54 H new ATOM 0 HG23 THR A 5 0.703 -9.031 -9.200 1.00 74.54 H new ATOM 74 N ASN A 6 2.045 -7.427 -13.685 1.00 41.43 N ATOM 75 CA ASN A 6 2.178 -7.238 -15.120 1.00 31.21 C ATOM 76 C ASN A 6 3.440 -6.423 -15.408 1.00 65.42 C ATOM 77 O ASN A 6 4.051 -6.571 -16.466 1.00 21.54 O ATOM 78 CB ASN A 6 0.981 -6.473 -15.688 1.00 3.40 C ATOM 79 CG ASN A 6 -0.326 -6.950 -15.053 1.00 14.42 C ATOM 80 OD1 ASN A 6 -0.347 -8.249 -14.769 1.00 42.52 O flip ATOM 81 ND2 ASN A 6 -1.255 -6.189 -14.835 1.00 14.45 N flip ATOM 0 H ASN A 6 1.825 -6.579 -13.162 1.00 41.43 H new ATOM 0 HA ASN A 6 2.231 -8.222 -15.586 1.00 31.21 H new ATOM 0 HB2 ASN A 6 1.109 -5.406 -15.508 1.00 3.40 H new ATOM 0 HB3 ASN A 6 0.936 -6.611 -16.768 1.00 3.40 H new ATOM 0 HD21 ASN A 6 -1.173 -5.202 -15.078 1.00 14.45 H new ATOM 0 HD22 ASN A 6 -2.113 -6.540 -14.410 1.00 14.45 H new ATOM 88 N ASN A 7 3.794 -5.581 -14.449 1.00 2.21 N ATOM 89 CA ASN A 7 4.973 -4.742 -14.586 1.00 70.35 C ATOM 90 C ASN A 7 4.635 -3.535 -15.464 1.00 64.41 C ATOM 91 O ASN A 7 5.498 -3.016 -16.170 1.00 64.13 O ATOM 92 CB ASN A 7 6.118 -5.507 -15.254 1.00 12.20 C ATOM 93 CG ASN A 7 7.444 -5.244 -14.537 1.00 72.14 C ATOM 94 OD1 ASN A 7 7.599 -3.987 -14.131 1.00 30.21 O flip ATOM 95 ND2 ASN A 7 8.271 -6.124 -14.365 1.00 24.40 N flip ATOM 0 H ASN A 7 3.285 -5.461 -13.573 1.00 2.21 H new ATOM 0 HA ASN A 7 5.282 -4.428 -13.589 1.00 70.35 H new ATOM 0 HB2 ASN A 7 5.901 -6.575 -15.245 1.00 12.20 H new ATOM 0 HB3 ASN A 7 6.200 -5.207 -16.299 1.00 12.20 H new ATOM 0 HD21 ASN A 7 8.088 -7.069 -14.703 1.00 24.40 H new ATOM 0 HD22 ASN A 7 9.146 -5.915 -13.884 1.00 24.40 H new ATOM 102 N ASP A 8 3.378 -3.124 -15.391 1.00 21.10 N ATOM 103 CA ASP A 8 2.916 -1.988 -16.170 1.00 51.10 C ATOM 104 C ASP A 8 2.924 -0.735 -15.291 1.00 70.44 C ATOM 105 O ASP A 8 3.071 0.378 -15.793 1.00 2.01 O ATOM 106 CB ASP A 8 1.486 -2.207 -16.668 1.00 11.10 C ATOM 107 CG ASP A 8 0.391 -1.903 -15.643 1.00 72.54 C ATOM 108 OD1 ASP A 8 0.234 -0.707 -15.318 1.00 1.13 O ATOM 109 OD2 ASP A 8 -0.265 -2.875 -15.209 1.00 61.01 O ATOM 0 H ASP A 8 2.665 -3.557 -14.804 1.00 21.10 H new ATOM 0 HA ASP A 8 3.582 -1.872 -17.025 1.00 51.10 H new ATOM 0 HB2 ASP A 8 1.324 -1.583 -17.547 1.00 11.10 H new ATOM 0 HB3 ASP A 8 1.384 -3.243 -16.990 1.00 11.10 H new ATOM 114 N GLY A 9 2.764 -0.960 -13.995 1.00 52.54 N ATOM 115 CA GLY A 9 2.751 0.137 -13.042 1.00 51.23 C ATOM 116 C GLY A 9 1.319 0.588 -12.745 1.00 4.13 C ATOM 117 O GLY A 9 1.070 1.774 -12.532 1.00 32.41 O ATOM 0 H GLY A 9 2.642 -1.885 -13.583 1.00 52.54 H new ATOM 0 HA2 GLY A 9 3.237 -0.174 -12.117 1.00 51.23 H new ATOM 0 HA3 GLY A 9 3.325 0.975 -13.438 1.00 51.23 H new ATOM 121 N ALA A 10 0.417 -0.382 -12.739 1.00 54.43 N ATOM 122 CA ALA A 10 -0.983 -0.099 -12.471 1.00 74.23 C ATOM 123 C ALA A 10 -1.593 -1.264 -11.689 1.00 75.12 C ATOM 124 O ALA A 10 -1.357 -2.426 -12.015 1.00 35.50 O ATOM 125 CB ALA A 10 -1.713 0.163 -13.790 1.00 40.03 C ATOM 0 H ALA A 10 0.628 -1.364 -12.915 1.00 54.43 H new ATOM 0 HA ALA A 10 -1.083 0.798 -11.859 1.00 74.23 H new ATOM 0 HB1 ALA A 10 -2.763 0.375 -13.589 1.00 40.03 H new ATOM 0 HB2 ALA A 10 -1.260 1.017 -14.293 1.00 40.03 H new ATOM 0 HB3 ALA A 10 -1.637 -0.717 -14.429 1.00 40.03 H new ATOM 131 N TYR A 11 -2.366 -0.912 -10.672 1.00 52.12 N ATOM 132 CA TYR A 11 -3.012 -1.914 -9.841 1.00 1.31 C ATOM 133 C TYR A 11 -4.460 -2.139 -10.279 1.00 73.14 C ATOM 134 O TYR A 11 -5.286 -1.231 -10.198 1.00 1.02 O ATOM 135 CB TYR A 11 -3.004 -1.350 -8.419 1.00 20.14 C ATOM 136 CG TYR A 11 -1.608 -1.011 -7.891 1.00 73.33 C ATOM 137 CD1 TYR A 11 -0.588 -1.935 -7.995 1.00 72.23 C ATOM 138 CD2 TYR A 11 -1.369 0.218 -7.311 1.00 53.05 C ATOM 139 CE1 TYR A 11 0.725 -1.616 -7.499 1.00 64.40 C ATOM 140 CE2 TYR A 11 -0.056 0.537 -6.815 1.00 63.12 C ATOM 141 CZ TYR A 11 0.927 -0.396 -6.934 1.00 31.15 C ATOM 142 OH TYR A 11 2.168 -0.095 -6.465 1.00 15.02 O ATOM 0 H TYR A 11 -2.560 0.053 -10.405 1.00 52.12 H new ATOM 0 HA TYR A 11 -2.491 -2.869 -9.916 1.00 1.31 H new ATOM 0 HB2 TYR A 11 -3.619 -0.451 -8.392 1.00 20.14 H new ATOM 0 HB3 TYR A 11 -3.468 -2.074 -7.749 1.00 20.14 H new ATOM 0 HD1 TYR A 11 -0.775 -2.897 -8.448 1.00 72.23 H new ATOM 0 HD2 TYR A 11 -2.167 0.941 -7.229 1.00 53.05 H new ATOM 0 HE1 TYR A 11 1.532 -2.330 -7.574 1.00 64.40 H new ATOM 0 HE2 TYR A 11 0.144 1.495 -6.359 1.00 63.12 H new ATOM 0 HH TYR A 11 2.302 -0.526 -5.595 1.00 15.02 H new ATOM 152 N GLU A 12 -4.725 -3.355 -10.735 1.00 4.11 N ATOM 153 CA GLU A 12 -6.059 -3.711 -11.186 1.00 70.23 C ATOM 154 C GLU A 12 -6.252 -5.228 -11.128 1.00 1.14 C ATOM 155 O GLU A 12 -5.586 -5.970 -11.848 1.00 21.25 O ATOM 156 CB GLU A 12 -6.321 -3.179 -12.597 1.00 21.52 C ATOM 157 CG GLU A 12 -5.565 -4.003 -13.642 1.00 55.42 C ATOM 158 CD GLU A 12 -4.099 -4.181 -13.244 1.00 42.35 C ATOM 159 OE1 GLU A 12 -3.478 -3.155 -12.892 1.00 1.33 O ATOM 160 OE2 GLU A 12 -3.632 -5.339 -13.302 1.00 43.31 O ATOM 0 H GLU A 12 -4.038 -4.106 -10.802 1.00 4.11 H new ATOM 0 HA GLU A 12 -6.783 -3.246 -10.517 1.00 70.23 H new ATOM 0 HB2 GLU A 12 -7.390 -3.209 -12.808 1.00 21.52 H new ATOM 0 HB3 GLU A 12 -6.013 -2.135 -12.659 1.00 21.52 H new ATOM 0 HG2 GLU A 12 -6.037 -4.979 -13.751 1.00 55.42 H new ATOM 0 HG3 GLU A 12 -5.625 -3.510 -14.612 1.00 55.42 H new ATOM 167 N GLY A 13 -7.166 -5.643 -10.263 1.00 72.02 N ATOM 168 CA GLY A 13 -7.455 -7.058 -10.101 1.00 51.21 C ATOM 169 C GLY A 13 -6.934 -7.573 -8.758 1.00 73.40 C ATOM 170 O GLY A 13 -7.318 -7.068 -7.704 1.00 45.02 O ATOM 0 H GLY A 13 -7.716 -5.024 -9.667 1.00 72.02 H new ATOM 0 HA2 GLY A 13 -8.531 -7.223 -10.165 1.00 51.21 H new ATOM 0 HA3 GLY A 13 -6.997 -7.622 -10.913 1.00 51.21 H new ATOM 174 N ASP A 14 -6.069 -8.573 -8.840 1.00 23.14 N ATOM 175 CA ASP A 14 -5.491 -9.163 -7.644 1.00 14.34 C ATOM 176 C ASP A 14 -4.382 -8.251 -7.115 1.00 15.21 C ATOM 177 O ASP A 14 -3.964 -8.378 -5.965 1.00 74.22 O ATOM 178 CB ASP A 14 -4.875 -10.530 -7.946 1.00 11.00 C ATOM 179 CG ASP A 14 -5.868 -11.599 -8.408 1.00 44.34 C ATOM 180 OD1 ASP A 14 -5.527 -12.483 -9.208 1.00 53.25 O ATOM 181 OD2 ASP A 14 -7.051 -11.498 -7.905 1.00 52.44 O ATOM 0 H ASP A 14 -5.754 -8.990 -9.716 1.00 23.14 H new ATOM 0 HA ASP A 14 -6.287 -9.281 -6.908 1.00 14.34 H new ATOM 0 HB2 ASP A 14 -4.113 -10.406 -8.716 1.00 11.00 H new ATOM 0 HB3 ASP A 14 -4.368 -10.889 -7.050 1.00 11.00 H new ATOM 187 N GLU A 15 -3.938 -7.351 -7.980 1.00 24.02 N ATOM 188 CA GLU A 15 -2.885 -6.418 -7.614 1.00 73.13 C ATOM 189 C GLU A 15 -3.363 -5.491 -6.495 1.00 51.32 C ATOM 190 O GLU A 15 -2.565 -4.771 -5.897 1.00 23.41 O ATOM 191 CB GLU A 15 -2.418 -5.615 -8.830 1.00 11.01 C ATOM 192 CG GLU A 15 -2.013 -6.543 -9.977 1.00 50.42 C ATOM 193 CD GLU A 15 -2.021 -5.798 -11.314 1.00 15.44 C ATOM 194 OE1 GLU A 15 -2.324 -4.585 -11.285 1.00 61.04 O ATOM 195 OE2 GLU A 15 -1.725 -6.457 -12.333 1.00 73.51 O ATOM 0 H GLU A 15 -4.288 -7.248 -8.933 1.00 24.02 H new ATOM 0 HA GLU A 15 -2.032 -6.988 -7.247 1.00 73.13 H new ATOM 0 HB2 GLU A 15 -3.216 -4.950 -9.160 1.00 11.01 H new ATOM 0 HB3 GLU A 15 -1.573 -4.985 -8.552 1.00 11.01 H new ATOM 0 HG2 GLU A 15 -1.019 -6.948 -9.788 1.00 50.42 H new ATOM 0 HG3 GLU A 15 -2.698 -7.389 -10.024 1.00 50.42 H new ATOM 202 N LEU A 16 -4.664 -5.537 -6.246 1.00 64.52 N ATOM 203 CA LEU A 16 -5.257 -4.710 -5.209 1.00 73.44 C ATOM 204 C LEU A 16 -5.718 -5.601 -4.054 1.00 74.21 C ATOM 205 O LEU A 16 -6.773 -5.366 -3.467 1.00 13.10 O ATOM 206 CB LEU A 16 -6.369 -3.836 -5.793 1.00 3.41 C ATOM 207 CG LEU A 16 -5.964 -2.919 -6.949 1.00 64.12 C ATOM 208 CD1 LEU A 16 -7.128 -2.716 -7.921 1.00 5.50 C ATOM 209 CD2 LEU A 16 -5.413 -1.590 -6.428 1.00 64.24 C ATOM 0 H LEU A 16 -5.324 -6.134 -6.745 1.00 64.52 H new ATOM 0 HA LEU A 16 -4.518 -4.018 -4.803 1.00 73.44 H new ATOM 0 HB2 LEU A 16 -7.173 -4.487 -6.136 1.00 3.41 H new ATOM 0 HB3 LEU A 16 -6.778 -3.220 -4.992 1.00 3.41 H new ATOM 0 HG LEU A 16 -5.161 -3.404 -7.505 1.00 64.12 H new ATOM 0 HD11 LEU A 16 -6.814 -2.060 -8.733 1.00 5.50 H new ATOM 0 HD12 LEU A 16 -7.433 -3.679 -8.330 1.00 5.50 H new ATOM 0 HD13 LEU A 16 -7.968 -2.263 -7.394 1.00 5.50 H new ATOM 0 HD21 LEU A 16 -5.133 -0.957 -7.270 1.00 64.24 H new ATOM 0 HD22 LEU A 16 -6.177 -1.087 -5.835 1.00 64.24 H new ATOM 0 HD23 LEU A 16 -4.537 -1.778 -5.808 1.00 64.24 H new ATOM 221 N SER A 17 -4.905 -6.606 -3.762 1.00 40.54 N ATOM 222 CA SER A 17 -5.216 -7.533 -2.688 1.00 12.33 C ATOM 223 C SER A 17 -4.645 -7.013 -1.367 1.00 22.52 C ATOM 224 O SER A 17 -5.109 -7.394 -0.293 1.00 53.22 O ATOM 225 CB SER A 17 -4.670 -8.929 -2.990 1.00 22.41 C ATOM 226 OG SER A 17 -5.231 -9.919 -2.132 1.00 21.31 O ATOM 0 H SER A 17 -4.031 -6.798 -4.251 1.00 40.54 H new ATOM 0 HA SER A 17 -6.300 -7.608 -2.603 1.00 12.33 H new ATOM 0 HB2 SER A 17 -4.884 -9.185 -4.028 1.00 22.41 H new ATOM 0 HB3 SER A 17 -3.586 -8.926 -2.879 1.00 22.41 H new ATOM 0 HG SER A 17 -4.858 -10.797 -2.358 1.00 21.31 H new ATOM 232 N GLY A 18 -3.645 -6.153 -1.489 1.00 53.51 N ATOM 233 CA GLY A 18 -3.006 -5.577 -0.318 1.00 64.21 C ATOM 234 C GLY A 18 -1.576 -6.100 -0.162 1.00 40.40 C ATOM 235 O GLY A 18 -1.370 -7.261 0.186 1.00 33.31 O ATOM 0 H GLY A 18 -3.261 -5.841 -2.381 1.00 53.51 H new ATOM 0 HA2 GLY A 18 -2.993 -4.490 -0.404 1.00 64.21 H new ATOM 0 HA3 GLY A 18 -3.585 -5.819 0.573 1.00 64.21 H new ATOM 239 N THR A 19 -0.625 -5.216 -0.427 1.00 61.22 N ATOM 240 CA THR A 19 0.779 -5.574 -0.321 1.00 5.45 C ATOM 241 C THR A 19 1.387 -4.976 0.950 1.00 33.23 C ATOM 242 O THR A 19 0.698 -4.302 1.714 1.00 34.35 O ATOM 243 CB THR A 19 1.482 -5.119 -1.601 1.00 53.34 C ATOM 244 OG1 THR A 19 0.517 -5.345 -2.625 1.00 51.04 O ATOM 245 CG2 THR A 19 2.651 -6.029 -1.983 1.00 73.13 C ATOM 0 H THR A 19 -0.799 -4.253 -0.715 1.00 61.22 H new ATOM 0 HA THR A 19 0.905 -6.653 -0.229 1.00 5.45 H new ATOM 0 HB THR A 19 1.844 -4.099 -1.473 1.00 53.34 H new ATOM 0 HG1 THR A 19 0.810 -6.089 -3.192 1.00 51.04 H new ATOM 0 HG21 THR A 19 3.115 -5.661 -2.898 1.00 73.13 H new ATOM 0 HG22 THR A 19 3.387 -6.032 -1.179 1.00 73.13 H new ATOM 0 HG23 THR A 19 2.285 -7.043 -2.144 1.00 73.13 H new ATOM 253 N MET A 20 2.671 -5.245 1.137 1.00 34.02 N ATOM 254 CA MET A 20 3.379 -4.742 2.302 1.00 34.53 C ATOM 255 C MET A 20 4.768 -4.229 1.920 1.00 2.22 C ATOM 256 O MET A 20 5.504 -4.898 1.197 1.00 61.32 O ATOM 257 CB MET A 20 3.514 -5.860 3.339 1.00 43.24 C ATOM 258 CG MET A 20 2.142 -6.404 3.741 1.00 10.33 C ATOM 259 SD MET A 20 2.326 -7.652 5.004 1.00 5.41 S ATOM 260 CE MET A 20 1.516 -6.834 6.368 1.00 31.44 C ATOM 0 H MET A 20 3.239 -5.805 0.501 1.00 34.02 H new ATOM 0 HA MET A 20 2.809 -3.913 2.721 1.00 34.53 H new ATOM 0 HB2 MET A 20 4.124 -6.667 2.932 1.00 43.24 H new ATOM 0 HB3 MET A 20 4.032 -5.482 4.221 1.00 43.24 H new ATOM 0 HG2 MET A 20 1.514 -5.593 4.109 1.00 10.33 H new ATOM 0 HG3 MET A 20 1.640 -6.827 2.871 1.00 10.33 H new ATOM 0 HE1 MET A 20 1.541 -7.480 7.246 1.00 31.44 H new ATOM 0 HE2 MET A 20 2.032 -5.900 6.590 1.00 31.44 H new ATOM 0 HE3 MET A 20 0.480 -6.622 6.102 1.00 31.44 H new ATOM 270 N GLU A 21 5.085 -3.045 2.423 1.00 4.12 N ATOM 271 CA GLU A 21 6.374 -2.434 2.144 1.00 53.34 C ATOM 272 C GLU A 21 7.373 -2.771 3.252 1.00 61.31 C ATOM 273 O GLU A 21 7.016 -2.794 4.429 1.00 71.43 O ATOM 274 CB GLU A 21 6.237 -0.920 1.972 1.00 55.34 C ATOM 275 CG GLU A 21 7.558 -0.211 2.275 1.00 23.43 C ATOM 276 CD GLU A 21 7.749 -0.029 3.782 1.00 13.44 C ATOM 277 OE1 GLU A 21 6.842 0.471 4.466 1.00 64.32 O ATOM 278 OE2 GLU A 21 8.887 -0.427 4.240 1.00 32.45 O ATOM 0 H GLU A 21 4.472 -2.492 3.022 1.00 4.12 H new ATOM 0 HA GLU A 21 6.751 -2.841 1.206 1.00 53.34 H new ATOM 0 HB2 GLU A 21 5.924 -0.693 0.953 1.00 55.34 H new ATOM 0 HB3 GLU A 21 5.458 -0.544 2.636 1.00 55.34 H new ATOM 0 HG2 GLU A 21 8.387 -0.789 1.867 1.00 23.43 H new ATOM 0 HG3 GLU A 21 7.574 0.761 1.783 1.00 23.43 H new ATOM 286 N TYR A 22 8.605 -3.025 2.836 1.00 4.25 N ATOM 287 CA TYR A 22 9.659 -3.360 3.779 1.00 31.14 C ATOM 288 C TYR A 22 10.954 -2.618 3.442 1.00 74.02 C ATOM 289 O TYR A 22 11.220 -2.325 2.277 1.00 33.11 O ATOM 290 CB TYR A 22 9.894 -4.865 3.631 1.00 0.45 C ATOM 291 CG TYR A 22 8.632 -5.712 3.806 1.00 50.23 C ATOM 292 CD1 TYR A 22 7.792 -5.927 2.732 1.00 32.12 C ATOM 293 CD2 TYR A 22 8.334 -6.261 5.036 1.00 13.34 C ATOM 294 CE1 TYR A 22 6.604 -6.724 2.896 1.00 31.42 C ATOM 295 CE2 TYR A 22 7.146 -7.058 5.200 1.00 31.04 C ATOM 296 CZ TYR A 22 6.340 -7.250 4.122 1.00 34.52 C ATOM 297 OH TYR A 22 5.218 -8.004 4.277 1.00 13.51 O ATOM 0 H TYR A 22 8.897 -3.006 1.859 1.00 4.25 H new ATOM 0 HA TYR A 22 9.371 -3.079 4.792 1.00 31.14 H new ATOM 0 HB2 TYR A 22 10.317 -5.061 2.646 1.00 0.45 H new ATOM 0 HB3 TYR A 22 10.636 -5.180 4.365 1.00 0.45 H new ATOM 0 HD1 TYR A 22 8.026 -5.498 1.769 1.00 32.12 H new ATOM 0 HD2 TYR A 22 8.992 -6.093 5.876 1.00 13.34 H new ATOM 0 HE1 TYR A 22 5.938 -6.900 2.064 1.00 31.42 H new ATOM 0 HE2 TYR A 22 6.901 -7.493 6.157 1.00 31.04 H new ATOM 0 HH TYR A 22 4.595 -7.544 4.878 1.00 13.51 H new ATOM 307 N LYS A 23 11.724 -2.335 4.482 1.00 63.24 N ATOM 308 CA LYS A 23 12.985 -1.633 4.310 1.00 53.21 C ATOM 309 C LYS A 23 14.138 -2.636 4.391 1.00 15.40 C ATOM 310 O LYS A 23 14.361 -3.247 5.435 1.00 51.13 O ATOM 311 CB LYS A 23 13.098 -0.483 5.313 1.00 42.13 C ATOM 312 CG LYS A 23 14.528 0.060 5.364 1.00 13.44 C ATOM 313 CD LYS A 23 14.582 1.509 4.875 1.00 14.13 C ATOM 314 CE LYS A 23 13.535 2.368 5.588 1.00 74.33 C ATOM 315 NZ LYS A 23 13.989 3.773 5.675 1.00 43.41 N ATOM 0 H LYS A 23 11.499 -2.579 5.447 1.00 63.24 H new ATOM 0 HA LYS A 23 13.033 -1.172 3.324 1.00 53.21 H new ATOM 0 HB2 LYS A 23 12.411 0.316 5.035 1.00 42.13 H new ATOM 0 HB3 LYS A 23 12.801 -0.828 6.303 1.00 42.13 H new ATOM 0 HG2 LYS A 23 14.906 0.002 6.385 1.00 13.44 H new ATOM 0 HG3 LYS A 23 15.179 -0.560 4.747 1.00 13.44 H new ATOM 0 HD2 LYS A 23 15.576 1.919 5.052 1.00 14.13 H new ATOM 0 HD3 LYS A 23 14.411 1.540 3.799 1.00 14.13 H new ATOM 0 HE2 LYS A 23 12.588 2.318 5.050 1.00 74.33 H new ATOM 0 HE3 LYS A 23 13.354 1.975 6.589 1.00 74.33 H new ATOM 0 HZ1 LYS A 23 13.267 4.342 6.161 1.00 43.41 H new ATOM 0 HZ2 LYS A 23 14.881 3.817 6.208 1.00 43.41 H new ATOM 0 HZ3 LYS A 23 14.139 4.149 4.717 1.00 43.41 H new ATOM 328 N LEU A 24 14.839 -2.773 3.276 1.00 62.43 N ATOM 329 CA LEU A 24 15.963 -3.692 3.207 1.00 4.54 C ATOM 330 C LEU A 24 17.267 -2.907 3.362 1.00 5.55 C ATOM 331 O LEU A 24 17.623 -2.109 2.496 1.00 61.31 O ATOM 332 CB LEU A 24 15.897 -4.526 1.927 1.00 75.21 C ATOM 333 CG LEU A 24 17.095 -5.438 1.657 1.00 45.40 C ATOM 334 CD1 LEU A 24 18.172 -4.704 0.855 1.00 4.03 C ATOM 335 CD2 LEU A 24 17.647 -6.018 2.961 1.00 62.35 C ATOM 0 H LEU A 24 14.651 -2.263 2.413 1.00 62.43 H new ATOM 0 HA LEU A 24 15.920 -4.408 4.028 1.00 4.54 H new ATOM 0 HB2 LEU A 24 14.998 -5.142 1.964 1.00 75.21 H new ATOM 0 HB3 LEU A 24 15.784 -3.848 1.081 1.00 75.21 H new ATOM 0 HG LEU A 24 16.756 -6.277 1.049 1.00 45.40 H new ATOM 0 HD11 LEU A 24 19.013 -5.374 0.676 1.00 4.03 H new ATOM 0 HD12 LEU A 24 17.757 -4.380 -0.099 1.00 4.03 H new ATOM 0 HD13 LEU A 24 18.514 -3.834 1.416 1.00 4.03 H new ATOM 0 HD21 LEU A 24 18.498 -6.663 2.741 1.00 62.35 H new ATOM 0 HD22 LEU A 24 17.966 -5.206 3.614 1.00 62.35 H new ATOM 0 HD23 LEU A 24 16.870 -6.599 3.458 1.00 62.35 H new ATOM 347 N ILE A 25 17.945 -3.160 4.473 1.00 53.43 N ATOM 348 CA ILE A 25 19.202 -2.486 4.752 1.00 33.55 C ATOM 349 C ILE A 25 20.339 -3.510 4.732 1.00 52.11 C ATOM 350 O ILE A 25 20.293 -4.508 5.449 1.00 63.31 O ATOM 351 CB ILE A 25 19.108 -1.698 6.060 1.00 13.22 C ATOM 352 CG1 ILE A 25 18.087 -0.564 5.944 1.00 3.44 C ATOM 353 CG2 ILE A 25 20.484 -1.189 6.493 1.00 10.35 C ATOM 354 CD1 ILE A 25 17.348 -0.354 7.267 1.00 30.14 C ATOM 0 H ILE A 25 17.647 -3.822 5.190 1.00 53.43 H new ATOM 0 HA ILE A 25 19.420 -1.750 3.978 1.00 33.55 H new ATOM 0 HB ILE A 25 18.754 -2.371 6.841 1.00 13.22 H new ATOM 0 HG12 ILE A 25 18.593 0.357 5.656 1.00 3.44 H new ATOM 0 HG13 ILE A 25 17.370 -0.794 5.156 1.00 3.44 H new ATOM 0 HG21 ILE A 25 20.389 -0.632 7.425 1.00 10.35 H new ATOM 0 HG22 ILE A 25 21.155 -2.035 6.642 1.00 10.35 H new ATOM 0 HG23 ILE A 25 20.890 -0.536 5.720 1.00 10.35 H new ATOM 0 HD11 ILE A 25 16.629 0.457 7.157 1.00 30.14 H new ATOM 0 HD12 ILE A 25 16.823 -1.270 7.540 1.00 30.14 H new ATOM 0 HD13 ILE A 25 18.065 -0.100 8.048 1.00 30.14 H new ATOM 366 N LEU A 26 21.332 -3.226 3.902 1.00 23.44 N ATOM 367 CA LEU A 26 22.479 -4.110 3.779 1.00 44.20 C ATOM 368 C LEU A 26 23.716 -3.416 4.353 1.00 1.14 C ATOM 369 O LEU A 26 24.217 -2.453 3.775 1.00 61.14 O ATOM 370 CB LEU A 26 22.649 -4.568 2.329 1.00 21.11 C ATOM 371 CG LEU A 26 21.357 -4.834 1.554 1.00 31.22 C ATOM 372 CD1 LEU A 26 20.922 -3.594 0.771 1.00 20.00 C ATOM 373 CD2 LEU A 26 21.502 -6.061 0.651 1.00 12.31 C ATOM 0 H LEU A 26 21.366 -2.397 3.309 1.00 23.44 H new ATOM 0 HA LEU A 26 22.324 -5.019 4.360 1.00 44.20 H new ATOM 0 HB2 LEU A 26 23.221 -3.810 1.794 1.00 21.11 H new ATOM 0 HB3 LEU A 26 23.246 -5.480 2.324 1.00 21.11 H new ATOM 0 HG LEU A 26 20.567 -5.054 2.272 1.00 31.22 H new ATOM 0 HD11 LEU A 26 20.001 -3.810 0.229 1.00 20.00 H new ATOM 0 HD12 LEU A 26 20.751 -2.769 1.462 1.00 20.00 H new ATOM 0 HD13 LEU A 26 21.703 -3.318 0.063 1.00 20.00 H new ATOM 0 HD21 LEU A 26 20.570 -6.228 0.112 1.00 12.31 H new ATOM 0 HD22 LEU A 26 22.309 -5.894 -0.062 1.00 12.31 H new ATOM 0 HD23 LEU A 26 21.731 -6.936 1.260 1.00 12.31 H new ATOM 385 N ASN A 27 24.173 -3.932 5.485 1.00 72.11 N ATOM 386 CA ASN A 27 25.341 -3.374 6.144 1.00 25.20 C ATOM 387 C ASN A 27 26.544 -4.289 5.902 1.00 35.31 C ATOM 388 O ASN A 27 26.687 -5.318 6.560 1.00 21.43 O ATOM 389 CB ASN A 27 25.124 -3.269 7.655 1.00 51.23 C ATOM 390 CG ASN A 27 24.628 -1.874 8.041 1.00 34.23 C ATOM 391 OD1 ASN A 27 25.162 -0.859 7.626 1.00 63.33 O ATOM 392 ND2 ASN A 27 23.578 -1.881 8.858 1.00 50.30 N ATOM 0 H ASN A 27 23.755 -4.731 5.962 1.00 72.11 H new ATOM 0 HA ASN A 27 25.515 -2.379 5.735 1.00 25.20 H new ATOM 0 HB2 ASN A 27 24.400 -4.018 7.975 1.00 51.23 H new ATOM 0 HB3 ASN A 27 26.057 -3.484 8.176 1.00 51.23 H new ATOM 0 HD21 ASN A 27 23.172 -1.000 9.174 1.00 50.30 H new ATOM 0 HD22 ASN A 27 23.179 -2.767 9.168 1.00 50.30 H new ATOM 399 N GLY A 28 27.376 -3.881 4.956 1.00 25.20 N ATOM 400 CA GLY A 28 28.562 -4.651 4.619 1.00 34.51 C ATOM 401 C GLY A 28 29.792 -3.748 4.516 1.00 51.10 C ATOM 402 O GLY A 28 29.677 -2.574 4.167 1.00 11.13 O ATOM 0 H GLY A 28 27.253 -3.027 4.412 1.00 25.20 H new ATOM 0 HA2 GLY A 28 28.731 -5.416 5.377 1.00 34.51 H new ATOM 0 HA3 GLY A 28 28.407 -5.169 3.673 1.00 34.51 H new ATOM 406 N LYS A 29 30.941 -4.330 4.826 1.00 44.54 N ATOM 407 CA LYS A 29 32.192 -3.591 4.772 1.00 31.51 C ATOM 408 C LYS A 29 32.472 -3.176 3.327 1.00 44.14 C ATOM 409 O LYS A 29 32.993 -2.089 3.079 1.00 24.43 O ATOM 410 CB LYS A 29 33.321 -4.404 5.409 1.00 62.14 C ATOM 411 CG LYS A 29 32.905 -4.941 6.780 1.00 41.14 C ATOM 412 CD LYS A 29 32.377 -3.816 7.672 1.00 42.32 C ATOM 413 CE LYS A 29 30.858 -3.682 7.545 1.00 23.31 C ATOM 414 NZ LYS A 29 30.264 -3.280 8.839 1.00 14.42 N ATOM 0 H LYS A 29 31.033 -5.304 5.115 1.00 44.54 H new ATOM 0 HA LYS A 29 32.120 -2.675 5.358 1.00 31.51 H new ATOM 0 HB2 LYS A 29 33.589 -5.234 4.756 1.00 62.14 H new ATOM 0 HB3 LYS A 29 34.209 -3.780 5.513 1.00 62.14 H new ATOM 0 HG2 LYS A 29 32.136 -5.704 6.658 1.00 41.14 H new ATOM 0 HG3 LYS A 29 33.757 -5.421 7.260 1.00 41.14 H new ATOM 0 HD2 LYS A 29 32.642 -4.015 8.710 1.00 42.32 H new ATOM 0 HD3 LYS A 29 32.853 -2.875 7.396 1.00 42.32 H new ATOM 0 HE2 LYS A 29 30.615 -2.943 6.781 1.00 23.31 H new ATOM 0 HE3 LYS A 29 30.429 -4.630 7.220 1.00 23.31 H new ATOM 0 HZ1 LYS A 29 29.233 -3.193 8.736 1.00 14.42 H new ATOM 0 HZ2 LYS A 29 30.481 -3.999 9.559 1.00 14.42 H new ATOM 0 HZ3 LYS A 29 30.660 -2.365 9.134 1.00 14.42 H new ATOM 427 N THR A 30 32.114 -4.063 2.410 1.00 45.44 N ATOM 428 CA THR A 30 32.321 -3.802 0.995 1.00 1.52 C ATOM 429 C THR A 30 31.009 -3.376 0.334 1.00 12.42 C ATOM 430 O THR A 30 31.018 -2.708 -0.699 1.00 11.23 O ATOM 431 CB THR A 30 32.939 -5.053 0.369 1.00 72.23 C ATOM 432 OG1 THR A 30 32.901 -4.795 -1.032 1.00 71.12 O ATOM 433 CG2 THR A 30 32.057 -6.291 0.543 1.00 22.54 C ATOM 0 H THR A 30 31.682 -4.963 2.619 1.00 45.44 H new ATOM 0 HA THR A 30 33.010 -2.971 0.843 1.00 1.52 H new ATOM 0 HB THR A 30 33.916 -5.237 0.815 1.00 72.23 H new ATOM 0 HG1 THR A 30 33.285 -5.556 -1.515 1.00 71.12 H new ATOM 0 HG21 THR A 30 32.542 -7.151 0.081 1.00 22.54 H new ATOM 0 HG22 THR A 30 31.909 -6.486 1.605 1.00 22.54 H new ATOM 0 HG23 THR A 30 31.091 -6.120 0.067 1.00 22.54 H new ATOM 441 N LEU A 31 29.911 -3.779 0.957 1.00 23.41 N ATOM 442 CA LEU A 31 28.594 -3.448 0.442 1.00 14.12 C ATOM 443 C LEU A 31 27.736 -2.882 1.576 1.00 74.04 C ATOM 444 O LEU A 31 27.300 -3.621 2.458 1.00 41.45 O ATOM 445 CB LEU A 31 27.971 -4.659 -0.255 1.00 14.00 C ATOM 446 CG LEU A 31 27.489 -4.433 -1.690 1.00 1.34 C ATOM 447 CD1 LEU A 31 26.597 -3.193 -1.779 1.00 70.14 C ATOM 448 CD2 LEU A 31 28.670 -4.360 -2.659 1.00 63.34 C ATOM 0 H LEU A 31 29.907 -4.332 1.814 1.00 23.41 H new ATOM 0 HA LEU A 31 28.667 -2.673 -0.321 1.00 14.12 H new ATOM 0 HB2 LEU A 31 28.704 -5.466 -0.262 1.00 14.00 H new ATOM 0 HB3 LEU A 31 27.125 -5.001 0.342 1.00 14.00 H new ATOM 0 HG LEU A 31 26.882 -5.289 -1.986 1.00 1.34 H new ATOM 0 HD11 LEU A 31 26.268 -3.055 -2.809 1.00 70.14 H new ATOM 0 HD12 LEU A 31 25.728 -3.323 -1.135 1.00 70.14 H new ATOM 0 HD13 LEU A 31 27.159 -2.316 -1.457 1.00 70.14 H new ATOM 0 HD21 LEU A 31 28.300 -4.199 -3.672 1.00 63.34 H new ATOM 0 HD22 LEU A 31 29.323 -3.534 -2.375 1.00 63.34 H new ATOM 0 HD23 LEU A 31 29.230 -5.295 -2.621 1.00 63.34 H new ATOM 460 N LYS A 32 27.518 -1.576 1.515 1.00 62.50 N ATOM 461 CA LYS A 32 26.720 -0.903 2.525 1.00 20.03 C ATOM 462 C LYS A 32 25.721 0.031 1.840 1.00 15.12 C ATOM 463 O LYS A 32 26.111 0.903 1.065 1.00 12.14 O ATOM 464 CB LYS A 32 27.623 -0.200 3.540 1.00 1.54 C ATOM 465 CG LYS A 32 28.919 0.278 2.883 1.00 65.23 C ATOM 466 CD LYS A 32 29.889 0.838 3.925 1.00 24.42 C ATOM 467 CE LYS A 32 31.341 0.577 3.519 1.00 22.21 C ATOM 468 NZ LYS A 32 31.876 1.719 2.744 1.00 74.43 N ATOM 0 H LYS A 32 27.880 -0.967 0.782 1.00 62.50 H new ATOM 0 HA LYS A 32 26.140 -1.627 3.097 1.00 20.03 H new ATOM 0 HB2 LYS A 32 27.096 0.650 3.973 1.00 1.54 H new ATOM 0 HB3 LYS A 32 27.856 -0.882 4.358 1.00 1.54 H new ATOM 0 HG2 LYS A 32 29.389 -0.550 2.352 1.00 65.23 H new ATOM 0 HG3 LYS A 32 28.694 1.045 2.142 1.00 65.23 H new ATOM 0 HD2 LYS A 32 29.727 1.910 4.039 1.00 24.42 H new ATOM 0 HD3 LYS A 32 29.691 0.381 4.894 1.00 24.42 H new ATOM 0 HE2 LYS A 32 31.950 0.416 4.408 1.00 22.21 H new ATOM 0 HE3 LYS A 32 31.400 -0.334 2.923 1.00 22.21 H new ATOM 0 HZ1 LYS A 32 32.862 1.525 2.476 1.00 74.43 H new ATOM 0 HZ2 LYS A 32 31.305 1.854 1.886 1.00 74.43 H new ATOM 0 HZ3 LYS A 32 31.838 2.581 3.325 1.00 74.43 H new ATOM 481 N GLY A 33 24.450 -0.183 2.151 1.00 64.25 N ATOM 482 CA GLY A 33 23.392 0.629 1.574 1.00 30.34 C ATOM 483 C GLY A 33 22.025 0.218 2.124 1.00 34.43 C ATOM 484 O GLY A 33 21.925 -0.725 2.908 1.00 34.01 O ATOM 0 H GLY A 33 24.130 -0.907 2.795 1.00 64.25 H new ATOM 0 HA2 GLY A 33 23.575 1.681 1.793 1.00 30.34 H new ATOM 0 HA3 GLY A 33 23.398 0.524 0.489 1.00 30.34 H new ATOM 488 N GLU A 34 21.005 0.945 1.691 1.00 3.05 N ATOM 489 CA GLU A 34 19.648 0.668 2.131 1.00 62.24 C ATOM 490 C GLU A 34 18.691 0.680 0.937 1.00 42.31 C ATOM 491 O GLU A 34 19.065 1.097 -0.158 1.00 54.43 O ATOM 492 CB GLU A 34 19.203 1.667 3.201 1.00 63.25 C ATOM 493 CG GLU A 34 19.142 3.087 2.634 1.00 62.45 C ATOM 494 CD GLU A 34 18.208 3.969 3.464 1.00 22.03 C ATOM 495 OE1 GLU A 34 17.115 3.526 3.848 1.00 42.14 O ATOM 496 OE2 GLU A 34 18.654 5.154 3.710 1.00 12.34 O ATOM 0 H GLU A 34 21.091 1.726 1.040 1.00 3.05 H new ATOM 0 HA GLU A 34 19.628 -0.326 2.579 1.00 62.24 H new ATOM 0 HB2 GLU A 34 18.223 1.382 3.584 1.00 63.25 H new ATOM 0 HB3 GLU A 34 19.896 1.637 4.042 1.00 63.25 H new ATOM 0 HG2 GLU A 34 20.142 3.521 2.622 1.00 62.45 H new ATOM 0 HG3 GLU A 34 18.796 3.055 1.601 1.00 62.45 H new ATOM 504 N THR A 35 17.475 0.218 1.189 1.00 4.12 N ATOM 505 CA THR A 35 16.462 0.171 0.149 1.00 70.21 C ATOM 506 C THR A 35 15.130 -0.316 0.723 1.00 24.55 C ATOM 507 O THR A 35 15.034 -0.611 1.914 1.00 44.21 O ATOM 508 CB THR A 35 16.991 -0.707 -0.987 1.00 41.21 C ATOM 509 OG1 THR A 35 15.858 -0.909 -1.827 1.00 14.34 O ATOM 510 CG2 THR A 35 17.361 -2.115 -0.516 1.00 1.33 C ATOM 0 H THR A 35 17.169 -0.127 2.099 1.00 4.12 H new ATOM 0 HA THR A 35 16.263 1.164 -0.254 1.00 70.21 H new ATOM 0 HB THR A 35 17.864 -0.233 -1.435 1.00 41.21 H new ATOM 0 HG1 THR A 35 16.129 -1.402 -2.629 1.00 14.34 H new ATOM 0 HG21 THR A 35 17.730 -2.696 -1.361 1.00 1.33 H new ATOM 0 HG22 THR A 35 18.136 -2.051 0.247 1.00 1.33 H new ATOM 0 HG23 THR A 35 16.480 -2.602 -0.098 1.00 1.33 H new ATOM 518 N THR A 36 14.136 -0.387 -0.149 1.00 41.54 N ATOM 519 CA THR A 36 12.814 -0.833 0.256 1.00 22.01 C ATOM 520 C THR A 36 12.149 -1.624 -0.872 1.00 41.10 C ATOM 521 O THR A 36 12.429 -1.391 -2.047 1.00 23.41 O ATOM 522 CB THR A 36 12.013 0.396 0.691 1.00 20.42 C ATOM 523 OG1 THR A 36 11.597 0.991 -0.535 1.00 3.02 O ATOM 524 CG2 THR A 36 12.890 1.465 1.346 1.00 30.31 C ATOM 0 H THR A 36 14.220 -0.143 -1.136 1.00 41.54 H new ATOM 0 HA THR A 36 12.870 -1.518 1.102 1.00 22.01 H new ATOM 0 HB THR A 36 11.231 0.092 1.387 1.00 20.42 H new ATOM 0 HG1 THR A 36 11.069 1.795 -0.346 1.00 3.02 H new ATOM 0 HG21 THR A 36 12.272 2.315 1.636 1.00 30.31 H new ATOM 0 HG22 THR A 36 13.372 1.048 2.231 1.00 30.31 H new ATOM 0 HG23 THR A 36 13.652 1.794 0.639 1.00 30.31 H new ATOM 532 N THR A 37 11.281 -2.543 -0.475 1.00 53.53 N ATOM 533 CA THR A 37 10.573 -3.369 -1.438 1.00 64.24 C ATOM 534 C THR A 37 9.167 -3.695 -0.931 1.00 3.12 C ATOM 535 O THR A 37 8.937 -3.753 0.276 1.00 2.01 O ATOM 536 CB THR A 37 11.424 -4.611 -1.710 1.00 61.43 C ATOM 537 OG1 THR A 37 10.829 -5.194 -2.866 1.00 55.14 O ATOM 538 CG2 THR A 37 11.261 -5.681 -0.628 1.00 44.03 C ATOM 0 H THR A 37 11.052 -2.734 0.500 1.00 53.53 H new ATOM 0 HA THR A 37 10.429 -2.842 -2.381 1.00 64.24 H new ATOM 0 HB THR A 37 12.473 -4.323 -1.781 1.00 61.43 H new ATOM 0 HG1 THR A 37 10.958 -6.165 -2.846 1.00 55.14 H new ATOM 0 HG21 THR A 37 11.886 -6.541 -0.869 1.00 44.03 H new ATOM 0 HG22 THR A 37 11.563 -5.272 0.336 1.00 44.03 H new ATOM 0 HG23 THR A 37 10.218 -5.993 -0.579 1.00 44.03 H new ATOM 546 N CYS A 38 8.263 -3.899 -1.878 1.00 5.22 N ATOM 547 CA CYS A 38 6.886 -4.217 -1.542 1.00 21.23 C ATOM 548 C CYS A 38 6.613 -5.664 -1.956 1.00 74.24 C ATOM 549 O CYS A 38 6.972 -6.076 -3.058 1.00 74.24 O ATOM 550 CB CYS A 38 5.905 -3.241 -2.194 1.00 33.22 C ATOM 551 SG CYS A 38 5.053 -2.116 -1.029 1.00 34.54 S ATOM 0 H CYS A 38 8.458 -3.850 -2.878 1.00 5.22 H new ATOM 0 HA CYS A 38 6.738 -4.114 -0.467 1.00 21.23 H new ATOM 0 HB2 CYS A 38 6.444 -2.641 -2.927 1.00 33.22 H new ATOM 0 HB3 CYS A 38 5.154 -3.813 -2.740 1.00 33.22 H new ATOM 0 HG CYS A 38 4.250 -1.335 -1.689 1.00 34.54 H new ATOM 556 N ALA A 39 5.979 -6.396 -1.052 1.00 3.15 N ATOM 557 CA ALA A 39 5.653 -7.788 -1.310 1.00 25.24 C ATOM 558 C ALA A 39 4.279 -8.104 -0.717 1.00 74.04 C ATOM 559 O ALA A 39 3.822 -7.422 0.199 1.00 71.21 O ATOM 560 CB ALA A 39 6.754 -8.685 -0.739 1.00 1.43 C ATOM 0 H ALA A 39 5.682 -6.051 -0.139 1.00 3.15 H new ATOM 0 HA ALA A 39 5.601 -7.977 -2.382 1.00 25.24 H new ATOM 0 HB1 ALA A 39 6.509 -9.729 -0.933 1.00 1.43 H new ATOM 0 HB2 ALA A 39 7.705 -8.441 -1.213 1.00 1.43 H new ATOM 0 HB3 ALA A 39 6.833 -8.524 0.336 1.00 1.43 H new ATOM 566 N VAL A 40 3.657 -9.138 -1.265 1.00 21.21 N ATOM 567 CA VAL A 40 2.344 -9.553 -0.802 1.00 54.32 C ATOM 568 C VAL A 40 2.457 -10.091 0.626 1.00 51.25 C ATOM 569 O VAL A 40 1.589 -9.837 1.459 1.00 12.02 O ATOM 570 CB VAL A 40 1.741 -10.566 -1.777 1.00 62.41 C ATOM 571 CG1 VAL A 40 0.906 -11.611 -1.035 1.00 31.42 C ATOM 572 CG2 VAL A 40 0.911 -9.865 -2.854 1.00 0.10 C ATOM 0 H VAL A 40 4.038 -9.701 -2.026 1.00 21.21 H new ATOM 0 HA VAL A 40 1.663 -8.703 -0.775 1.00 54.32 H new ATOM 0 HB VAL A 40 2.563 -11.083 -2.272 1.00 62.41 H new ATOM 0 HG11 VAL A 40 0.489 -12.319 -1.751 1.00 31.42 H new ATOM 0 HG12 VAL A 40 1.538 -12.144 -0.324 1.00 31.42 H new ATOM 0 HG13 VAL A 40 0.095 -11.116 -0.500 1.00 31.42 H new ATOM 0 HG21 VAL A 40 0.494 -10.608 -3.533 1.00 0.10 H new ATOM 0 HG22 VAL A 40 0.100 -9.308 -2.384 1.00 0.10 H new ATOM 0 HG23 VAL A 40 1.546 -9.178 -3.413 1.00 0.10 H new ATOM 582 N ASP A 41 3.534 -10.824 0.864 1.00 64.14 N ATOM 583 CA ASP A 41 3.773 -11.400 2.176 1.00 34.21 C ATOM 584 C ASP A 41 5.275 -11.401 2.463 1.00 65.11 C ATOM 585 O ASP A 41 6.087 -11.461 1.540 1.00 0.35 O ATOM 586 CB ASP A 41 3.278 -12.847 2.241 1.00 42.43 C ATOM 587 CG ASP A 41 1.787 -13.007 2.545 1.00 64.51 C ATOM 588 OD1 ASP A 41 1.118 -13.900 2.004 1.00 52.12 O ATOM 589 OD2 ASP A 41 1.308 -12.157 3.388 1.00 2.12 O ATOM 0 H ASP A 41 4.252 -11.032 0.170 1.00 64.14 H new ATOM 0 HA ASP A 41 3.234 -10.801 2.910 1.00 34.21 H new ATOM 0 HB2 ASP A 41 3.493 -13.332 1.289 1.00 42.43 H new ATOM 0 HB3 ASP A 41 3.848 -13.376 3.005 1.00 42.43 H new ATOM 595 N ALA A 42 5.601 -11.334 3.745 1.00 32.25 N ATOM 596 CA ALA A 42 6.992 -11.326 4.165 1.00 31.53 C ATOM 597 C ALA A 42 7.719 -12.512 3.527 1.00 2.42 C ATOM 598 O ALA A 42 8.943 -12.502 3.407 1.00 4.32 O ATOM 599 CB ALA A 42 7.064 -11.352 5.693 1.00 22.14 C ATOM 0 H ALA A 42 4.925 -11.285 4.507 1.00 32.25 H new ATOM 0 HA ALA A 42 7.489 -10.415 3.831 1.00 31.53 H new ATOM 0 HB1 ALA A 42 8.107 -11.346 6.008 1.00 22.14 H new ATOM 0 HB2 ALA A 42 6.558 -10.475 6.096 1.00 22.14 H new ATOM 0 HB3 ALA A 42 6.578 -12.254 6.065 1.00 22.14 H new ATOM 605 N ALA A 43 6.935 -13.505 3.135 1.00 52.54 N ATOM 606 CA ALA A 43 7.489 -14.695 2.512 1.00 52.32 C ATOM 607 C ALA A 43 8.069 -14.326 1.145 1.00 25.50 C ATOM 608 O ALA A 43 9.182 -14.730 0.810 1.00 70.30 O ATOM 609 CB ALA A 43 6.406 -15.771 2.414 1.00 21.35 C ATOM 0 H ALA A 43 5.920 -13.510 3.237 1.00 52.54 H new ATOM 0 HA ALA A 43 8.300 -15.102 3.116 1.00 52.32 H new ATOM 0 HB1 ALA A 43 6.821 -16.664 1.947 1.00 21.35 H new ATOM 0 HB2 ALA A 43 6.047 -16.018 3.413 1.00 21.35 H new ATOM 0 HB3 ALA A 43 5.577 -15.399 1.812 1.00 21.35 H new ATOM 615 N THR A 44 7.290 -13.564 0.393 1.00 50.15 N ATOM 616 CA THR A 44 7.713 -13.137 -0.930 1.00 51.33 C ATOM 617 C THR A 44 8.799 -12.064 -0.823 1.00 31.44 C ATOM 618 O THR A 44 9.779 -12.091 -1.566 1.00 33.33 O ATOM 619 CB THR A 44 6.473 -12.671 -1.696 1.00 13.34 C ATOM 620 OG1 THR A 44 5.723 -13.865 -1.903 1.00 5.04 O ATOM 621 CG2 THR A 44 6.804 -12.189 -3.110 1.00 12.14 C ATOM 0 H THR A 44 6.368 -13.231 0.674 1.00 50.15 H new ATOM 0 HA THR A 44 8.166 -13.959 -1.484 1.00 51.33 H new ATOM 0 HB THR A 44 5.987 -11.867 -1.143 1.00 13.34 H new ATOM 0 HG1 THR A 44 4.900 -13.654 -2.392 1.00 5.04 H new ATOM 0 HG21 THR A 44 5.889 -11.870 -3.609 1.00 12.14 H new ATOM 0 HG22 THR A 44 7.499 -11.351 -3.055 1.00 12.14 H new ATOM 0 HG23 THR A 44 7.260 -13.002 -3.674 1.00 12.14 H new ATOM 629 N ALA A 45 8.588 -11.146 0.109 1.00 42.24 N ATOM 630 CA ALA A 45 9.537 -10.066 0.323 1.00 20.42 C ATOM 631 C ALA A 45 10.861 -10.649 0.823 1.00 52.42 C ATOM 632 O ALA A 45 11.932 -10.165 0.460 1.00 10.45 O ATOM 633 CB ALA A 45 8.942 -9.050 1.300 1.00 52.14 C ATOM 0 H ALA A 45 7.775 -11.128 0.724 1.00 42.24 H new ATOM 0 HA ALA A 45 9.739 -9.541 -0.611 1.00 20.42 H new ATOM 0 HB1 ALA A 45 9.653 -8.240 1.461 1.00 52.14 H new ATOM 0 HB2 ALA A 45 8.018 -8.645 0.886 1.00 52.14 H new ATOM 0 HB3 ALA A 45 8.730 -9.540 2.250 1.00 52.14 H new ATOM 639 N GLU A 46 10.744 -11.679 1.647 1.00 34.30 N ATOM 640 CA GLU A 46 11.918 -12.333 2.200 1.00 12.40 C ATOM 641 C GLU A 46 12.822 -12.840 1.075 1.00 4.40 C ATOM 642 O GLU A 46 14.043 -12.702 1.145 1.00 33.24 O ATOM 643 CB GLU A 46 11.520 -13.473 3.139 1.00 15.22 C ATOM 644 CG GLU A 46 12.709 -14.393 3.420 1.00 4.21 C ATOM 645 CD GLU A 46 12.511 -15.761 2.765 1.00 63.05 C ATOM 646 OE1 GLU A 46 11.554 -16.475 3.098 1.00 71.24 O ATOM 647 OE2 GLU A 46 13.395 -16.074 1.878 1.00 31.04 O ATOM 0 H GLU A 46 9.854 -12.077 1.946 1.00 34.30 H new ATOM 0 HA GLU A 46 12.475 -11.602 2.786 1.00 12.40 H new ATOM 0 HB2 GLU A 46 11.144 -13.062 4.076 1.00 15.22 H new ATOM 0 HB3 GLU A 46 10.708 -14.048 2.694 1.00 15.22 H new ATOM 0 HG2 GLU A 46 13.624 -13.935 3.045 1.00 4.21 H new ATOM 0 HG3 GLU A 46 12.832 -14.516 4.496 1.00 4.21 H new ATOM 655 N LYS A 47 12.189 -13.415 0.064 1.00 61.15 N ATOM 656 CA LYS A 47 12.922 -13.943 -1.075 1.00 35.21 C ATOM 657 C LYS A 47 13.715 -12.813 -1.734 1.00 70.20 C ATOM 658 O LYS A 47 14.892 -12.979 -2.052 1.00 34.52 O ATOM 659 CB LYS A 47 11.974 -14.669 -2.032 1.00 54.31 C ATOM 660 CG LYS A 47 11.189 -15.761 -1.303 1.00 73.21 C ATOM 661 CD LYS A 47 9.898 -16.101 -2.051 1.00 41.03 C ATOM 662 CE LYS A 47 10.177 -17.040 -3.226 1.00 73.43 C ATOM 663 NZ LYS A 47 11.078 -18.138 -2.810 1.00 4.21 N ATOM 0 H LYS A 47 11.177 -13.527 0.009 1.00 61.15 H new ATOM 0 HA LYS A 47 13.644 -14.692 -0.750 1.00 35.21 H new ATOM 0 HB2 LYS A 47 11.282 -13.954 -2.476 1.00 54.31 H new ATOM 0 HB3 LYS A 47 12.544 -15.110 -2.849 1.00 54.31 H new ATOM 0 HG2 LYS A 47 11.805 -16.655 -1.209 1.00 73.21 H new ATOM 0 HG3 LYS A 47 10.951 -15.430 -0.292 1.00 73.21 H new ATOM 0 HD2 LYS A 47 9.190 -16.569 -1.367 1.00 41.03 H new ATOM 0 HD3 LYS A 47 9.432 -15.185 -2.415 1.00 41.03 H new ATOM 0 HE2 LYS A 47 9.240 -17.453 -3.600 1.00 73.43 H new ATOM 0 HE3 LYS A 47 10.629 -16.482 -4.046 1.00 73.43 H new ATOM 0 HZ1 LYS A 47 10.850 -18.997 -3.349 1.00 4.21 H new ATOM 0 HZ2 LYS A 47 12.065 -17.866 -2.993 1.00 4.21 H new ATOM 0 HZ3 LYS A 47 10.953 -18.324 -1.794 1.00 4.21 H new ATOM 676 N VAL A 48 13.039 -11.689 -1.920 1.00 1.00 N ATOM 677 CA VAL A 48 13.666 -10.532 -2.536 1.00 2.25 C ATOM 678 C VAL A 48 14.794 -10.028 -1.633 1.00 2.11 C ATOM 679 O VAL A 48 15.851 -9.628 -2.119 1.00 0.24 O ATOM 680 CB VAL A 48 12.614 -9.461 -2.831 1.00 74.40 C ATOM 681 CG1 VAL A 48 13.247 -8.238 -3.497 1.00 24.24 C ATOM 682 CG2 VAL A 48 11.482 -10.028 -3.690 1.00 75.20 C ATOM 0 H VAL A 48 12.063 -11.555 -1.655 1.00 1.00 H new ATOM 0 HA VAL A 48 14.111 -10.804 -3.493 1.00 2.25 H new ATOM 0 HB VAL A 48 12.187 -9.141 -1.881 1.00 74.40 H new ATOM 0 HG11 VAL A 48 12.477 -7.493 -3.696 1.00 24.24 H new ATOM 0 HG12 VAL A 48 14.001 -7.813 -2.835 1.00 24.24 H new ATOM 0 HG13 VAL A 48 13.714 -8.536 -4.436 1.00 24.24 H new ATOM 0 HG21 VAL A 48 10.747 -9.247 -3.886 1.00 75.20 H new ATOM 0 HG22 VAL A 48 11.888 -10.389 -4.635 1.00 75.20 H new ATOM 0 HG23 VAL A 48 11.003 -10.853 -3.162 1.00 75.20 H new ATOM 692 N PHE A 49 14.531 -10.064 -0.335 1.00 10.11 N ATOM 693 CA PHE A 49 15.511 -9.616 0.640 1.00 12.11 C ATOM 694 C PHE A 49 16.757 -10.503 0.613 1.00 61.15 C ATOM 695 O PHE A 49 17.879 -10.007 0.701 1.00 11.51 O ATOM 696 CB PHE A 49 14.853 -9.724 2.017 1.00 10.32 C ATOM 697 CG PHE A 49 15.835 -9.618 3.186 1.00 71.11 C ATOM 698 CD1 PHE A 49 16.993 -8.920 3.040 1.00 13.41 C ATOM 699 CD2 PHE A 49 15.550 -10.223 4.370 1.00 11.43 C ATOM 700 CE1 PHE A 49 17.904 -8.822 4.125 1.00 40.44 C ATOM 701 CE2 PHE A 49 16.461 -10.125 5.455 1.00 43.42 C ATOM 702 CZ PHE A 49 17.619 -9.426 5.309 1.00 21.21 C ATOM 0 H PHE A 49 13.653 -10.397 0.064 1.00 10.11 H new ATOM 0 HA PHE A 49 15.820 -8.595 0.415 1.00 12.11 H new ATOM 0 HB2 PHE A 49 14.104 -8.938 2.113 1.00 10.32 H new ATOM 0 HB3 PHE A 49 14.327 -10.676 2.083 1.00 10.32 H new ATOM 0 HD1 PHE A 49 17.220 -8.440 2.099 1.00 13.41 H new ATOM 0 HD2 PHE A 49 14.631 -10.778 4.485 1.00 11.43 H new ATOM 0 HE1 PHE A 49 18.824 -8.267 4.009 1.00 40.44 H new ATOM 0 HE2 PHE A 49 16.235 -10.605 6.396 1.00 43.42 H new ATOM 0 HZ PHE A 49 18.312 -9.351 6.134 1.00 21.21 H new ATOM 712 N LYS A 50 16.518 -11.800 0.489 1.00 22.43 N ATOM 713 CA LYS A 50 17.607 -12.761 0.449 1.00 64.41 C ATOM 714 C LYS A 50 18.340 -12.639 -0.888 1.00 45.14 C ATOM 715 O LYS A 50 19.554 -12.828 -0.955 1.00 20.52 O ATOM 716 CB LYS A 50 17.089 -14.171 0.739 1.00 20.32 C ATOM 717 CG LYS A 50 16.270 -14.199 2.031 1.00 20.13 C ATOM 718 CD LYS A 50 17.107 -14.725 3.199 1.00 35.34 C ATOM 719 CE LYS A 50 16.448 -14.391 4.539 1.00 3.15 C ATOM 720 NZ LYS A 50 15.820 -15.597 5.124 1.00 64.12 N ATOM 0 H LYS A 50 15.586 -12.208 0.415 1.00 22.43 H new ATOM 0 HA LYS A 50 18.333 -12.546 1.233 1.00 64.41 H new ATOM 0 HB2 LYS A 50 16.474 -14.515 -0.093 1.00 20.32 H new ATOM 0 HB3 LYS A 50 17.929 -14.861 0.821 1.00 20.32 H new ATOM 0 HG2 LYS A 50 15.910 -13.196 2.260 1.00 20.13 H new ATOM 0 HG3 LYS A 50 15.391 -14.830 1.895 1.00 20.13 H new ATOM 0 HD2 LYS A 50 17.227 -15.804 3.108 1.00 35.34 H new ATOM 0 HD3 LYS A 50 18.105 -14.289 3.162 1.00 35.34 H new ATOM 0 HE2 LYS A 50 17.193 -13.992 5.227 1.00 3.15 H new ATOM 0 HE3 LYS A 50 15.696 -13.615 4.397 1.00 3.15 H new ATOM 0 HZ1 LYS A 50 15.378 -15.352 6.033 1.00 64.12 H new ATOM 0 HZ2 LYS A 50 15.095 -15.961 4.473 1.00 64.12 H new ATOM 0 HZ3 LYS A 50 16.545 -16.326 5.278 1.00 64.12 H new ATOM 733 N GLN A 51 17.573 -12.323 -1.921 1.00 12.41 N ATOM 734 CA GLN A 51 18.134 -12.173 -3.253 1.00 1.43 C ATOM 735 C GLN A 51 18.960 -10.888 -3.339 1.00 3.31 C ATOM 736 O GLN A 51 19.937 -10.822 -4.083 1.00 62.54 O ATOM 737 CB GLN A 51 17.034 -12.190 -4.316 1.00 44.33 C ATOM 738 CG GLN A 51 17.616 -12.476 -5.702 1.00 63.30 C ATOM 739 CD GLN A 51 18.260 -13.863 -5.750 1.00 61.51 C ATOM 740 OE1 GLN A 51 19.401 -14.033 -6.148 1.00 72.32 O ATOM 741 NE2 GLN A 51 17.468 -14.843 -5.323 1.00 52.33 N ATOM 0 H GLN A 51 16.567 -12.167 -1.862 1.00 12.41 H new ATOM 0 HA GLN A 51 18.793 -13.019 -3.446 1.00 1.43 H new ATOM 0 HB2 GLN A 51 16.293 -12.949 -4.065 1.00 44.33 H new ATOM 0 HB3 GLN A 51 16.517 -11.230 -4.325 1.00 44.33 H new ATOM 0 HG2 GLN A 51 16.828 -12.411 -6.452 1.00 63.30 H new ATOM 0 HG3 GLN A 51 18.358 -11.718 -5.953 1.00 63.30 H new ATOM 0 HE21 GLN A 51 16.523 -14.632 -5.003 1.00 52.33 H new ATOM 0 HE22 GLN A 51 17.806 -15.805 -5.316 1.00 52.33 H new ATOM 750 N TYR A 52 18.538 -9.897 -2.567 1.00 32.53 N ATOM 751 CA TYR A 52 19.226 -8.618 -2.546 1.00 65.14 C ATOM 752 C TYR A 52 20.602 -8.746 -1.888 1.00 73.11 C ATOM 753 O TYR A 52 21.610 -8.339 -2.464 1.00 13.13 O ATOM 754 CB TYR A 52 18.356 -7.684 -1.704 1.00 11.12 C ATOM 755 CG TYR A 52 18.236 -6.267 -2.268 1.00 44.04 C ATOM 756 CD1 TYR A 52 17.251 -5.972 -3.189 1.00 5.30 C ATOM 757 CD2 TYR A 52 19.114 -5.284 -1.857 1.00 54.12 C ATOM 758 CE1 TYR A 52 17.139 -4.638 -3.720 1.00 60.14 C ATOM 759 CE2 TYR A 52 19.001 -3.950 -2.389 1.00 22.34 C ATOM 760 CZ TYR A 52 18.019 -3.693 -3.294 1.00 65.20 C ATOM 761 OH TYR A 52 17.913 -2.434 -3.796 1.00 3.31 O ATOM 0 H TYR A 52 17.727 -9.955 -1.951 1.00 32.53 H new ATOM 0 HA TYR A 52 19.377 -8.247 -3.560 1.00 65.14 H new ATOM 0 HB2 TYR A 52 17.358 -8.115 -1.616 1.00 11.12 H new ATOM 0 HB3 TYR A 52 18.769 -7.629 -0.697 1.00 11.12 H new ATOM 0 HD1 TYR A 52 16.565 -6.741 -3.511 1.00 5.30 H new ATOM 0 HD2 TYR A 52 19.885 -5.515 -1.137 1.00 54.12 H new ATOM 0 HE1 TYR A 52 16.373 -4.394 -4.441 1.00 60.14 H new ATOM 0 HE2 TYR A 52 19.681 -3.171 -2.076 1.00 22.34 H new ATOM 0 HH TYR A 52 18.606 -1.865 -3.401 1.00 3.31 H new ATOM 771 N ALA A 53 20.599 -9.313 -0.691 1.00 33.32 N ATOM 772 CA ALA A 53 21.834 -9.500 0.052 1.00 54.00 C ATOM 773 C ALA A 53 22.790 -10.368 -0.767 1.00 63.45 C ATOM 774 O ALA A 53 24.001 -10.153 -0.748 1.00 41.53 O ATOM 775 CB ALA A 53 21.520 -10.109 1.420 1.00 74.42 C ATOM 0 H ALA A 53 19.761 -9.649 -0.217 1.00 33.32 H new ATOM 0 HA ALA A 53 22.325 -8.543 0.227 1.00 54.00 H new ATOM 0 HB1 ALA A 53 22.446 -10.249 1.977 1.00 74.42 H new ATOM 0 HB2 ALA A 53 20.861 -9.440 1.974 1.00 74.42 H new ATOM 0 HB3 ALA A 53 21.028 -11.072 1.285 1.00 74.42 H new ATOM 781 N ASN A 54 22.211 -11.332 -1.468 1.00 72.10 N ATOM 782 CA ASN A 54 22.997 -12.234 -2.293 1.00 32.13 C ATOM 783 C ASN A 54 23.647 -11.443 -3.429 1.00 50.24 C ATOM 784 O ASN A 54 24.819 -11.647 -3.742 1.00 21.15 O ATOM 785 CB ASN A 54 22.116 -13.319 -2.915 1.00 63.24 C ATOM 786 CG ASN A 54 22.073 -14.566 -2.029 1.00 41.33 C ATOM 787 OD1 ASN A 54 22.689 -14.634 -0.978 1.00 44.35 O ATOM 788 ND2 ASN A 54 21.313 -15.545 -2.510 1.00 72.21 N ATOM 0 H ASN A 54 21.206 -11.508 -1.482 1.00 72.10 H new ATOM 0 HA ASN A 54 23.751 -12.701 -1.659 1.00 32.13 H new ATOM 0 HB2 ASN A 54 21.106 -12.935 -3.057 1.00 63.24 H new ATOM 0 HB3 ASN A 54 22.499 -13.582 -3.901 1.00 63.24 H new ATOM 0 HD21 ASN A 54 21.219 -16.419 -1.992 1.00 72.21 H new ATOM 0 HD22 ASN A 54 20.824 -15.422 -3.397 1.00 72.21 H new ATOM 795 N ASP A 55 22.857 -10.556 -4.017 1.00 45.03 N ATOM 796 CA ASP A 55 23.342 -9.733 -5.113 1.00 35.03 C ATOM 797 C ASP A 55 24.501 -8.865 -4.619 1.00 60.32 C ATOM 798 O ASP A 55 25.312 -8.396 -5.416 1.00 4.25 O ATOM 799 CB ASP A 55 22.242 -8.803 -5.631 1.00 24.35 C ATOM 800 CG ASP A 55 22.544 -8.130 -6.971 1.00 15.21 C ATOM 801 OD1 ASP A 55 23.060 -8.764 -7.903 1.00 32.42 O ATOM 802 OD2 ASP A 55 22.221 -6.883 -7.039 1.00 3.51 O ATOM 0 H ASP A 55 21.885 -10.389 -3.756 1.00 45.03 H new ATOM 0 HA ASP A 55 23.663 -10.396 -5.917 1.00 35.03 H new ATOM 0 HB2 ASP A 55 21.319 -9.375 -5.728 1.00 24.35 H new ATOM 0 HB3 ASP A 55 22.060 -8.029 -4.885 1.00 24.35 H new ATOM 808 N ASN A 56 24.542 -8.679 -3.308 1.00 41.31 N ATOM 809 CA ASN A 56 25.589 -7.876 -2.699 1.00 12.30 C ATOM 810 C ASN A 56 26.743 -8.786 -2.276 1.00 64.23 C ATOM 811 O ASN A 56 27.861 -8.319 -2.062 1.00 12.23 O ATOM 812 CB ASN A 56 25.074 -7.155 -1.452 1.00 3.34 C ATOM 813 CG ASN A 56 24.027 -6.102 -1.820 1.00 10.24 C ATOM 814 OD1 ASN A 56 23.223 -6.463 -2.816 1.00 23.04 O flip ATOM 815 ND2 ASN A 56 23.953 -5.032 -1.238 1.00 25.21 N flip ATOM 0 H ASN A 56 23.867 -9.070 -2.651 1.00 41.31 H new ATOM 0 HA ASN A 56 25.919 -7.139 -3.432 1.00 12.30 H new ATOM 0 HB2 ASN A 56 24.640 -7.879 -0.762 1.00 3.34 H new ATOM 0 HB3 ASN A 56 25.906 -6.680 -0.933 1.00 3.34 H new ATOM 0 HD21 ASN A 56 24.602 -4.817 -0.481 1.00 25.21 H new ATOM 0 HD22 ASN A 56 23.242 -4.352 -1.509 1.00 25.21 H new ATOM 822 N GLY A 57 26.434 -10.070 -2.169 1.00 53.02 N ATOM 823 CA GLY A 57 27.432 -11.050 -1.776 1.00 34.30 C ATOM 824 C GLY A 57 27.871 -10.834 -0.326 1.00 72.43 C ATOM 825 O GLY A 57 29.024 -11.086 0.021 1.00 52.13 O ATOM 0 H GLY A 57 25.506 -10.454 -2.348 1.00 53.02 H new ATOM 0 HA2 GLY A 57 27.025 -12.055 -1.891 1.00 34.30 H new ATOM 0 HA3 GLY A 57 28.297 -10.979 -2.436 1.00 34.30 H new ATOM 829 N VAL A 58 26.928 -10.371 0.481 1.00 3.22 N ATOM 830 CA VAL A 58 27.204 -10.118 1.885 1.00 34.34 C ATOM 831 C VAL A 58 26.285 -10.989 2.745 1.00 24.13 C ATOM 832 O VAL A 58 25.081 -11.055 2.504 1.00 41.42 O ATOM 833 CB VAL A 58 27.064 -8.624 2.186 1.00 61.44 C ATOM 834 CG1 VAL A 58 26.977 -8.374 3.692 1.00 4.24 C ATOM 835 CG2 VAL A 58 28.214 -7.830 1.563 1.00 61.41 C ATOM 0 H VAL A 58 25.973 -10.165 0.190 1.00 3.22 H new ATOM 0 HA VAL A 58 28.232 -10.390 2.127 1.00 34.34 H new ATOM 0 HB VAL A 58 26.134 -8.277 1.735 1.00 61.44 H new ATOM 0 HG11 VAL A 58 26.878 -7.305 3.878 1.00 4.24 H new ATOM 0 HG12 VAL A 58 26.110 -8.895 4.098 1.00 4.24 H new ATOM 0 HG13 VAL A 58 27.881 -8.744 4.175 1.00 4.24 H new ATOM 0 HG21 VAL A 58 28.091 -6.771 1.792 1.00 61.41 H new ATOM 0 HG22 VAL A 58 29.162 -8.182 1.971 1.00 61.41 H new ATOM 0 HG23 VAL A 58 28.210 -7.971 0.482 1.00 61.41 H new ATOM 845 N ASP A 59 26.889 -11.636 3.731 1.00 23.12 N ATOM 846 CA ASP A 59 26.141 -12.500 4.628 1.00 30.23 C ATOM 847 C ASP A 59 26.733 -12.402 6.036 1.00 51.03 C ATOM 848 O ASP A 59 27.949 -12.317 6.197 1.00 64.41 O ATOM 849 CB ASP A 59 26.223 -13.961 4.182 1.00 62.23 C ATOM 850 CG ASP A 59 27.633 -14.461 3.859 1.00 1.54 C ATOM 851 OD1 ASP A 59 28.634 -13.823 4.219 1.00 21.22 O ATOM 852 OD2 ASP A 59 27.682 -15.569 3.201 1.00 53.32 O ATOM 0 H ASP A 59 27.888 -11.579 3.928 1.00 23.12 H new ATOM 0 HA ASP A 59 25.100 -12.177 4.616 1.00 30.23 H new ATOM 0 HB2 ASP A 59 25.802 -14.589 4.967 1.00 62.23 H new ATOM 0 HB3 ASP A 59 25.597 -14.091 3.300 1.00 62.23 H new ATOM 858 N GLY A 60 25.845 -12.416 7.019 1.00 72.42 N ATOM 859 CA GLY A 60 26.264 -12.330 8.407 1.00 21.04 C ATOM 860 C GLY A 60 25.067 -12.459 9.351 1.00 75.11 C ATOM 861 O GLY A 60 24.402 -13.494 9.379 1.00 64.13 O ATOM 0 H GLY A 60 24.837 -12.486 6.881 1.00 72.42 H new ATOM 0 HA2 GLY A 60 26.987 -13.117 8.622 1.00 21.04 H new ATOM 0 HA3 GLY A 60 26.767 -11.379 8.580 1.00 21.04 H new ATOM 865 N GLU A 61 24.827 -11.393 10.101 1.00 60.43 N ATOM 866 CA GLU A 61 23.721 -11.374 11.043 1.00 61.41 C ATOM 867 C GLU A 61 22.477 -10.768 10.390 1.00 65.13 C ATOM 868 O GLU A 61 22.450 -9.576 10.087 1.00 73.21 O ATOM 869 CB GLU A 61 24.098 -10.614 12.316 1.00 40.44 C ATOM 870 CG GLU A 61 23.292 -11.117 13.515 1.00 55.25 C ATOM 871 CD GLU A 61 23.994 -10.775 14.830 1.00 12.11 C ATOM 872 OE1 GLU A 61 24.951 -11.461 15.218 1.00 4.51 O ATOM 873 OE2 GLU A 61 23.512 -9.755 15.456 1.00 21.14 O ATOM 0 H GLU A 61 25.380 -10.536 10.075 1.00 60.43 H new ATOM 0 HA GLU A 61 23.494 -12.402 11.327 1.00 61.41 H new ATOM 0 HB2 GLU A 61 25.163 -10.734 12.513 1.00 40.44 H new ATOM 0 HB3 GLU A 61 23.918 -9.548 12.174 1.00 40.44 H new ATOM 0 HG2 GLU A 61 22.298 -10.670 13.503 1.00 55.25 H new ATOM 0 HG3 GLU A 61 23.158 -12.196 13.440 1.00 55.25 H new ATOM 881 N TRP A 62 21.479 -11.616 10.192 1.00 60.13 N ATOM 882 CA TRP A 62 20.236 -11.179 9.580 1.00 53.31 C ATOM 883 C TRP A 62 19.238 -10.878 10.700 1.00 52.10 C ATOM 884 O TRP A 62 18.968 -11.733 11.542 1.00 10.11 O ATOM 885 CB TRP A 62 19.720 -12.218 8.583 1.00 71.30 C ATOM 886 CG TRP A 62 20.646 -12.446 7.386 1.00 15.22 C ATOM 887 CD1 TRP A 62 21.921 -12.856 7.396 1.00 3.51 C ATOM 888 CD2 TRP A 62 20.313 -12.259 5.994 1.00 1.53 C ATOM 889 NE1 TRP A 62 22.434 -12.946 6.118 1.00 54.33 N ATOM 890 CE2 TRP A 62 21.424 -12.571 5.238 1.00 24.23 C ATOM 891 CE3 TRP A 62 19.113 -11.839 5.394 1.00 51.01 C ATOM 892 CZ2 TRP A 62 21.446 -12.497 3.840 1.00 22.24 C ATOM 893 CZ3 TRP A 62 19.151 -11.770 3.996 1.00 21.21 C ATOM 894 CH2 TRP A 62 20.262 -12.081 3.221 1.00 72.45 C ATOM 0 H TRP A 62 21.506 -12.604 10.445 1.00 60.13 H new ATOM 0 HA TRP A 62 20.391 -10.270 8.998 1.00 53.31 H new ATOM 0 HB2 TRP A 62 19.576 -13.165 9.103 1.00 71.30 H new ATOM 0 HB3 TRP A 62 18.743 -11.902 8.218 1.00 71.30 H new ATOM 0 HD1 TRP A 62 22.478 -13.087 8.292 1.00 3.51 H new ATOM 0 HE1 TRP A 62 23.379 -13.234 5.865 1.00 54.33 H new ATOM 0 HE3 TRP A 62 18.232 -11.589 5.966 1.00 51.01 H new ATOM 0 HZ2 TRP A 62 22.329 -12.747 3.270 1.00 22.24 H new ATOM 0 HZ3 TRP A 62 18.254 -11.453 3.484 1.00 21.21 H new ATOM 0 HH2 TRP A 62 20.212 -12.002 2.145 1.00 72.45 H new ATOM 905 N THR A 63 18.717 -9.660 10.674 1.00 40.14 N ATOM 906 CA THR A 63 17.755 -9.236 11.676 1.00 12.43 C ATOM 907 C THR A 63 16.581 -8.510 11.016 1.00 42.43 C ATOM 908 O THR A 63 16.782 -7.638 10.172 1.00 52.42 O ATOM 909 CB THR A 63 18.494 -8.382 12.709 1.00 35.11 C ATOM 910 OG1 THR A 63 17.471 -7.962 13.608 1.00 33.52 O ATOM 911 CG2 THR A 63 19.027 -7.076 12.116 1.00 30.41 C ATOM 0 H THR A 63 18.943 -8.953 9.974 1.00 40.14 H new ATOM 0 HA THR A 63 17.318 -10.091 12.192 1.00 12.43 H new ATOM 0 HB THR A 63 19.321 -8.955 13.128 1.00 35.11 H new ATOM 0 HG1 THR A 63 17.863 -7.404 14.312 1.00 33.52 H new ATOM 0 HG21 THR A 63 19.542 -6.508 12.891 1.00 30.41 H new ATOM 0 HG22 THR A 63 19.723 -7.301 11.307 1.00 30.41 H new ATOM 0 HG23 THR A 63 18.196 -6.487 11.727 1.00 30.41 H new ATOM 919 N TYR A 64 15.382 -8.896 11.425 1.00 71.43 N ATOM 920 CA TYR A 64 14.176 -8.293 10.883 1.00 31.40 C ATOM 921 C TYR A 64 13.190 -7.941 11.999 1.00 43.10 C ATOM 922 O TYR A 64 12.977 -8.732 12.916 1.00 34.21 O ATOM 923 CB TYR A 64 13.545 -9.353 9.977 1.00 11.34 C ATOM 924 CG TYR A 64 12.026 -9.230 9.841 1.00 30.12 C ATOM 925 CD1 TYR A 64 11.484 -8.311 8.966 1.00 75.43 C ATOM 926 CD2 TYR A 64 11.198 -10.038 10.594 1.00 61.32 C ATOM 927 CE1 TYR A 64 10.054 -8.196 8.838 1.00 51.05 C ATOM 928 CE2 TYR A 64 9.768 -9.923 10.466 1.00 44.23 C ATOM 929 CZ TYR A 64 9.267 -9.007 9.594 1.00 71.41 C ATOM 930 OH TYR A 64 7.917 -8.898 9.473 1.00 73.32 O ATOM 0 H TYR A 64 15.219 -9.619 12.126 1.00 71.43 H new ATOM 0 HA TYR A 64 14.414 -7.373 10.348 1.00 31.40 H new ATOM 0 HB2 TYR A 64 13.995 -9.284 8.987 1.00 11.34 H new ATOM 0 HB3 TYR A 64 13.786 -10.341 10.369 1.00 11.34 H new ATOM 0 HD1 TYR A 64 12.132 -7.678 8.377 1.00 75.43 H new ATOM 0 HD2 TYR A 64 11.623 -10.757 11.279 1.00 61.32 H new ATOM 0 HE1 TYR A 64 9.617 -7.481 8.157 1.00 51.05 H new ATOM 0 HE2 TYR A 64 9.109 -10.549 11.049 1.00 44.23 H new ATOM 0 HH TYR A 64 7.482 -9.470 10.139 1.00 73.32 H new ATOM 940 N ASP A 65 12.616 -6.752 11.884 1.00 22.32 N ATOM 941 CA ASP A 65 11.658 -6.285 12.872 1.00 63.31 C ATOM 942 C ASP A 65 10.299 -6.080 12.200 1.00 0.34 C ATOM 943 O ASP A 65 10.119 -5.138 11.430 1.00 3.32 O ATOM 944 CB ASP A 65 12.095 -4.948 13.474 1.00 63.42 C ATOM 945 CG ASP A 65 12.876 -5.054 14.785 1.00 30.15 C ATOM 946 OD1 ASP A 65 14.090 -4.808 14.827 1.00 5.35 O ATOM 947 OD2 ASP A 65 12.177 -5.411 15.809 1.00 74.52 O ATOM 0 H ASP A 65 12.796 -6.098 11.122 1.00 22.32 H new ATOM 0 HA ASP A 65 11.596 -7.033 13.663 1.00 63.31 H new ATOM 0 HB2 ASP A 65 12.710 -4.422 12.744 1.00 63.42 H new ATOM 0 HB3 ASP A 65 11.209 -4.337 13.645 1.00 63.42 H new ATOM 953 N ASP A 66 9.377 -6.977 12.517 1.00 53.31 N ATOM 954 CA ASP A 66 8.039 -6.905 11.954 1.00 61.52 C ATOM 955 C ASP A 66 7.358 -5.621 12.430 1.00 34.21 C ATOM 956 O ASP A 66 6.397 -5.159 11.816 1.00 62.21 O ATOM 957 CB ASP A 66 7.186 -8.091 12.410 1.00 52.42 C ATOM 958 CG ASP A 66 5.864 -8.263 11.659 1.00 51.52 C ATOM 959 OD1 ASP A 66 4.960 -7.419 11.756 1.00 60.24 O ATOM 960 OD2 ASP A 66 5.780 -9.330 10.940 1.00 61.40 O ATOM 0 H ASP A 66 9.530 -7.757 13.156 1.00 53.31 H new ATOM 0 HA ASP A 66 8.128 -6.921 10.868 1.00 61.52 H new ATOM 0 HB2 ASP A 66 7.771 -9.004 12.299 1.00 52.42 H new ATOM 0 HB3 ASP A 66 6.971 -7.977 13.473 1.00 52.42 H new ATOM 966 N ALA A 67 7.881 -5.081 13.521 1.00 43.24 N ATOM 967 CA ALA A 67 7.335 -3.859 14.086 1.00 4.25 C ATOM 968 C ALA A 67 7.415 -2.740 13.046 1.00 45.10 C ATOM 969 O ALA A 67 6.554 -1.863 13.004 1.00 34.33 O ATOM 970 CB ALA A 67 8.086 -3.512 15.374 1.00 70.51 C ATOM 0 H ALA A 67 8.677 -5.467 14.029 1.00 43.24 H new ATOM 0 HA ALA A 67 6.285 -3.993 14.346 1.00 4.25 H new ATOM 0 HB1 ALA A 67 7.677 -2.595 15.798 1.00 70.51 H new ATOM 0 HB2 ALA A 67 7.974 -4.325 16.091 1.00 70.51 H new ATOM 0 HB3 ALA A 67 9.143 -3.368 15.151 1.00 70.51 H new ATOM 976 N THR A 68 8.458 -2.806 12.231 1.00 23.44 N ATOM 977 CA THR A 68 8.662 -1.810 11.194 1.00 41.22 C ATOM 978 C THR A 68 8.977 -2.487 9.859 1.00 44.04 C ATOM 979 O THR A 68 9.413 -1.831 8.913 1.00 31.24 O ATOM 980 CB THR A 68 9.760 -0.855 11.665 1.00 44.51 C ATOM 981 OG1 THR A 68 10.946 -1.644 11.630 1.00 60.23 O ATOM 982 CG2 THR A 68 9.611 -0.472 13.139 1.00 62.11 C ATOM 0 H THR A 68 9.171 -3.535 12.268 1.00 23.44 H new ATOM 0 HA THR A 68 7.757 -1.228 11.022 1.00 41.22 H new ATOM 0 HB THR A 68 9.743 0.046 11.052 1.00 44.51 H new ATOM 0 HG1 THR A 68 11.709 -1.101 11.919 1.00 60.23 H new ATOM 0 HG21 THR A 68 10.416 0.207 13.422 1.00 62.11 H new ATOM 0 HG22 THR A 68 8.650 0.020 13.292 1.00 62.11 H new ATOM 0 HG23 THR A 68 9.661 -1.370 13.755 1.00 62.11 H new ATOM 990 N LYS A 69 8.745 -3.791 9.824 1.00 43.14 N ATOM 991 CA LYS A 69 8.999 -4.564 8.620 1.00 61.21 C ATOM 992 C LYS A 69 10.297 -4.079 7.972 1.00 63.15 C ATOM 993 O LYS A 69 10.287 -3.589 6.843 1.00 35.14 O ATOM 994 CB LYS A 69 7.789 -4.514 7.685 1.00 13.34 C ATOM 995 CG LYS A 69 6.896 -5.741 7.878 1.00 60.44 C ATOM 996 CD LYS A 69 6.094 -5.638 9.176 1.00 32.23 C ATOM 997 CE LYS A 69 4.632 -6.028 8.950 1.00 53.10 C ATOM 998 NZ LYS A 69 4.465 -7.495 9.049 1.00 62.24 N ATOM 0 H LYS A 69 8.384 -4.332 10.610 1.00 43.14 H new ATOM 0 HA LYS A 69 9.139 -5.617 8.866 1.00 61.21 H new ATOM 0 HB2 LYS A 69 7.214 -3.608 7.876 1.00 13.34 H new ATOM 0 HB3 LYS A 69 8.127 -4.465 6.650 1.00 13.34 H new ATOM 0 HG2 LYS A 69 6.215 -5.836 7.032 1.00 60.44 H new ATOM 0 HG3 LYS A 69 7.509 -6.642 7.896 1.00 60.44 H new ATOM 0 HD2 LYS A 69 6.535 -6.288 9.932 1.00 32.23 H new ATOM 0 HD3 LYS A 69 6.147 -4.619 9.561 1.00 32.23 H new ATOM 0 HE2 LYS A 69 4.000 -5.534 9.687 1.00 53.10 H new ATOM 0 HE3 LYS A 69 4.305 -5.684 7.968 1.00 53.10 H new ATOM 0 HZ1 LYS A 69 3.692 -7.799 8.423 1.00 62.24 H new ATOM 0 HZ2 LYS A 69 5.348 -7.965 8.763 1.00 62.24 H new ATOM 0 HZ3 LYS A 69 4.238 -7.753 10.031 1.00 62.24 H new ATOM 1011 N THR A 70 11.385 -4.232 8.713 1.00 73.52 N ATOM 1012 CA THR A 70 12.688 -3.816 8.224 1.00 23.22 C ATOM 1013 C THR A 70 13.736 -4.892 8.516 1.00 32.23 C ATOM 1014 O THR A 70 13.752 -5.470 9.602 1.00 13.43 O ATOM 1015 CB THR A 70 13.018 -2.461 8.853 1.00 51.33 C ATOM 1016 OG1 THR A 70 12.097 -1.562 8.242 1.00 53.54 O ATOM 1017 CG2 THR A 70 14.390 -1.936 8.426 1.00 41.52 C ATOM 0 H THR A 70 11.390 -4.638 9.649 1.00 73.52 H new ATOM 0 HA THR A 70 12.684 -3.696 7.141 1.00 23.22 H new ATOM 0 HB THR A 70 12.984 -2.547 9.939 1.00 51.33 H new ATOM 0 HG1 THR A 70 11.213 -1.673 8.649 1.00 53.54 H new ATOM 0 HG21 THR A 70 14.575 -0.972 8.900 1.00 41.52 H new ATOM 0 HG22 THR A 70 15.161 -2.644 8.730 1.00 41.52 H new ATOM 0 HG23 THR A 70 14.413 -1.817 7.343 1.00 41.52 H new ATOM 1025 N PHE A 71 14.586 -5.129 7.528 1.00 75.42 N ATOM 1026 CA PHE A 71 15.634 -6.126 7.665 1.00 10.01 C ATOM 1027 C PHE A 71 17.018 -5.486 7.539 1.00 63.51 C ATOM 1028 O PHE A 71 17.220 -4.592 6.719 1.00 3.01 O ATOM 1029 CB PHE A 71 15.445 -7.133 6.529 1.00 21.21 C ATOM 1030 CG PHE A 71 14.020 -7.679 6.412 1.00 44.23 C ATOM 1031 CD1 PHE A 71 13.005 -6.855 6.038 1.00 44.34 C ATOM 1032 CD2 PHE A 71 13.769 -8.988 6.681 1.00 2.14 C ATOM 1033 CE1 PHE A 71 11.683 -7.361 5.929 1.00 62.05 C ATOM 1034 CE2 PHE A 71 12.447 -9.494 6.572 1.00 21.24 C ATOM 1035 CZ PHE A 71 11.432 -8.670 6.198 1.00 30.22 C ATOM 0 H PHE A 71 14.570 -4.648 6.629 1.00 75.42 H new ATOM 0 HA PHE A 71 15.570 -6.601 8.644 1.00 10.01 H new ATOM 0 HB2 PHE A 71 15.720 -6.658 5.587 1.00 21.21 H new ATOM 0 HB3 PHE A 71 16.131 -7.966 6.678 1.00 21.21 H new ATOM 0 HD1 PHE A 71 13.205 -5.815 5.824 1.00 44.34 H new ATOM 0 HD2 PHE A 71 14.575 -9.643 6.978 1.00 2.14 H new ATOM 0 HE1 PHE A 71 10.877 -6.706 5.632 1.00 62.05 H new ATOM 0 HE2 PHE A 71 12.247 -10.534 6.786 1.00 21.24 H new ATOM 0 HZ PHE A 71 10.427 -9.055 6.115 1.00 30.22 H new ATOM 1045 N THR A 72 17.936 -5.970 8.363 1.00 32.31 N ATOM 1046 CA THR A 72 19.295 -5.457 8.354 1.00 22.20 C ATOM 1047 C THR A 72 20.300 -6.610 8.328 1.00 63.33 C ATOM 1048 O THR A 72 20.205 -7.540 9.128 1.00 44.41 O ATOM 1049 CB THR A 72 19.460 -4.535 9.563 1.00 4.43 C ATOM 1050 OG1 THR A 72 18.210 -3.858 9.657 1.00 40.42 O ATOM 1051 CG2 THR A 72 20.472 -3.415 9.312 1.00 44.02 C ATOM 0 H THR A 72 17.765 -6.712 9.041 1.00 32.31 H new ATOM 0 HA THR A 72 19.492 -4.875 7.454 1.00 22.20 H new ATOM 0 HB THR A 72 19.775 -5.122 10.426 1.00 4.43 H new ATOM 0 HG1 THR A 72 18.229 -3.240 10.417 1.00 40.42 H new ATOM 0 HG21 THR A 72 20.551 -2.790 10.201 1.00 44.02 H new ATOM 0 HG22 THR A 72 21.446 -3.849 9.086 1.00 44.02 H new ATOM 0 HG23 THR A 72 20.141 -2.807 8.470 1.00 44.02 H new ATOM 1059 N VAL A 73 21.240 -6.512 7.399 1.00 24.52 N ATOM 1060 CA VAL A 73 22.262 -7.536 7.258 1.00 2.10 C ATOM 1061 C VAL A 73 23.610 -6.971 7.710 1.00 0.53 C ATOM 1062 O VAL A 73 24.110 -6.008 7.130 1.00 72.12 O ATOM 1063 CB VAL A 73 22.285 -8.058 5.820 1.00 40.31 C ATOM 1064 CG1 VAL A 73 23.588 -7.671 5.117 1.00 53.31 C ATOM 1065 CG2 VAL A 73 22.071 -9.572 5.783 1.00 73.13 C ATOM 0 H VAL A 73 21.315 -5.740 6.737 1.00 24.52 H new ATOM 0 HA VAL A 73 22.037 -8.390 7.896 1.00 2.10 H new ATOM 0 HB VAL A 73 21.462 -7.590 5.281 1.00 40.31 H new ATOM 0 HG11 VAL A 73 23.579 -8.054 4.097 1.00 53.31 H new ATOM 0 HG12 VAL A 73 23.682 -6.585 5.096 1.00 53.31 H new ATOM 0 HG13 VAL A 73 24.433 -8.098 5.657 1.00 53.31 H new ATOM 0 HG21 VAL A 73 22.092 -9.917 4.749 1.00 73.13 H new ATOM 0 HG22 VAL A 73 22.863 -10.065 6.346 1.00 73.13 H new ATOM 0 HG23 VAL A 73 21.105 -9.814 6.227 1.00 73.13 H new ATOM 1075 N THR A 74 24.160 -7.593 8.743 1.00 41.43 N ATOM 1076 CA THR A 74 25.440 -7.164 9.280 1.00 43.54 C ATOM 1077 C THR A 74 26.532 -8.176 8.928 1.00 2.12 C ATOM 1078 O THR A 74 26.457 -9.338 9.325 1.00 43.23 O ATOM 1079 CB THR A 74 25.273 -6.948 10.785 1.00 3.10 C ATOM 1080 OG1 THR A 74 23.981 -6.361 10.910 1.00 0.44 O ATOM 1081 CG2 THR A 74 26.222 -5.880 11.333 1.00 65.05 C ATOM 0 H THR A 74 23.742 -8.391 9.222 1.00 41.43 H new ATOM 0 HA THR A 74 25.760 -6.221 8.836 1.00 43.54 H new ATOM 0 HB THR A 74 25.445 -7.889 11.308 1.00 3.10 H new ATOM 0 HG1 THR A 74 23.790 -6.189 11.856 1.00 0.44 H new ATOM 0 HG21 THR A 74 26.062 -5.766 12.405 1.00 65.05 H new ATOM 0 HG22 THR A 74 27.253 -6.181 11.150 1.00 65.05 H new ATOM 0 HG23 THR A 74 26.028 -4.930 10.835 1.00 65.05 H new ATOM 1089 N GLU A 75 27.522 -7.698 8.188 1.00 54.11 N ATOM 1090 CA GLU A 75 28.628 -8.547 7.779 1.00 54.35 C ATOM 1091 C GLU A 75 29.709 -8.568 8.860 1.00 4.53 C ATOM 1092 O GLU A 75 30.075 -7.523 9.397 1.00 24.24 O ATOM 1093 CB GLU A 75 29.203 -8.089 6.437 1.00 52.22 C ATOM 1094 CG GLU A 75 29.698 -9.282 5.617 1.00 52.24 C ATOM 1095 CD GLU A 75 31.125 -9.664 6.012 1.00 24.40 C ATOM 1096 OE1 GLU A 75 32.014 -8.800 6.038 1.00 22.12 O ATOM 1097 OE2 GLU A 75 31.296 -10.910 6.300 1.00 61.20 O ATOM 0 H GLU A 75 27.581 -6.734 7.861 1.00 54.11 H new ATOM 0 HA GLU A 75 28.253 -9.562 7.649 1.00 54.35 H new ATOM 0 HB2 GLU A 75 28.440 -7.549 5.876 1.00 52.22 H new ATOM 0 HB3 GLU A 75 30.025 -7.394 6.608 1.00 52.22 H new ATOM 0 HG2 GLU A 75 29.034 -10.133 5.770 1.00 52.24 H new ATOM 0 HG3 GLU A 75 29.664 -9.037 4.555 1.00 52.24 H new