USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 11 ASN :FLIP amide:sc= 0.153 F(o=-1.5!,f=0.34) USER MOD Set 1.2: A 83 THR OG1 : rot -82:sc= 0.191 USER MOD Set 2.1: A 63 GLN : amide:sc= -1.69! C(o=-1.7!,f=-5.1!) USER MOD Set 2.2: A 87 HIS : no HD1:sc= 0.00529 K(o=-1.7,f=-7.8!) USER MOD Set 3.1: A 31 SER OG : rot -160:sc=-0.000344 USER MOD Set 3.2: A 70 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.33) USER MOD Single : A 9 MET CE :methyl 175:sc= -1.56 (180deg=-1.62) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 23:sc= 0.271 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.21) USER MOD Single : A 27 SER OG : rot -20:sc= 1.27 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 33 SER OG : rot 165:sc= 0.915 USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.119 (180deg=-0.554) USER MOD Single : A 38 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 40 TYR OH : rot -132:sc= 0.488 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 0.0423 (180deg=0.0267) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 110:sc= -0.56 USER MOD Single : A 86 MET CE :methyl -112:sc= -0.638 (180deg=-2.18) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.929 -13.772 8.328 1.00 14.43 N ATOM 38 CA VAL A 5 -12.538 -12.875 7.376 1.00 72.21 C ATOM 39 C VAL A 5 -14.043 -13.171 7.274 1.00 52.34 C ATOM 40 O VAL A 5 -14.436 -14.261 6.838 1.00 54.04 O ATOM 41 CB VAL A 5 -11.931 -13.065 5.976 1.00 51.41 C ATOM 42 CG1 VAL A 5 -12.391 -11.975 5.039 1.00 74.53 C ATOM 43 CG2 VAL A 5 -10.428 -13.125 6.021 1.00 23.42 C ATOM 0 HA VAL A 5 -12.362 -11.856 7.720 1.00 72.21 H new ATOM 0 HB VAL A 5 -12.287 -14.023 5.596 1.00 51.41 H new ATOM 0 HG11 VAL A 5 -11.949 -12.130 4.055 1.00 74.53 H new ATOM 0 HG12 VAL A 5 -13.478 -12.001 4.957 1.00 74.53 H new ATOM 0 HG13 VAL A 5 -12.079 -11.006 5.428 1.00 74.53 H new ATOM 0 HG21 VAL A 5 -10.039 -13.260 5.012 1.00 23.42 H new ATOM 0 HG22 VAL A 5 -10.039 -12.196 6.439 1.00 23.42 H new ATOM 0 HG23 VAL A 5 -10.116 -13.962 6.645 1.00 23.42 H new ATOM 53 N PRO A 6 -14.896 -12.223 7.674 1.00 12.01 N ATOM 54 CA PRO A 6 -16.347 -12.382 7.575 1.00 14.43 C ATOM 55 C PRO A 6 -16.850 -12.111 6.149 1.00 44.14 C ATOM 56 O PRO A 6 -16.109 -11.604 5.304 1.00 25.25 O ATOM 57 CB PRO A 6 -16.875 -11.305 8.523 1.00 31.14 C ATOM 58 CG PRO A 6 -15.841 -10.236 8.493 1.00 31.54 C ATOM 59 CD PRO A 6 -14.520 -10.927 8.276 1.00 62.03 C ATOM 0 HA PRO A 6 -16.673 -13.393 7.821 1.00 14.43 H new ATOM 0 HB2 PRO A 6 -17.844 -10.928 8.194 1.00 31.14 H new ATOM 0 HB3 PRO A 6 -17.011 -11.697 9.531 1.00 31.14 H new ATOM 0 HG2 PRO A 6 -16.042 -9.523 7.693 1.00 31.54 H new ATOM 0 HG3 PRO A 6 -15.836 -9.674 9.427 1.00 31.54 H new ATOM 0 HD2 PRO A 6 -13.871 -10.352 7.615 1.00 62.03 H new ATOM 0 HD3 PRO A 6 -13.981 -11.063 9.213 1.00 62.03 H new ATOM 67 N ALA A 7 -18.115 -12.405 5.902 1.00 51.51 N ATOM 68 CA ALA A 7 -18.734 -12.201 4.610 1.00 53.45 C ATOM 69 C ALA A 7 -19.118 -10.732 4.397 1.00 24.34 C ATOM 70 O ALA A 7 -19.878 -10.398 3.503 1.00 23.30 O ATOM 71 CB ALA A 7 -19.948 -13.104 4.452 1.00 52.41 C ATOM 0 H ALA A 7 -18.745 -12.796 6.602 1.00 51.51 H new ATOM 0 HA ALA A 7 -18.003 -12.464 3.845 1.00 53.45 H new ATOM 0 HB1 ALA A 7 -20.401 -12.937 3.475 1.00 52.41 H new ATOM 0 HB2 ALA A 7 -19.640 -14.146 4.536 1.00 52.41 H new ATOM 0 HB3 ALA A 7 -20.675 -12.877 5.232 1.00 52.41 H new ATOM 77 N ASP A 8 -18.596 -9.864 5.216 1.00 2.23 N ATOM 78 CA ASP A 8 -18.813 -8.446 5.025 1.00 25.52 C ATOM 79 C ASP A 8 -17.535 -7.801 4.547 1.00 73.15 C ATOM 80 O ASP A 8 -17.531 -6.644 4.111 1.00 63.42 O ATOM 81 CB ASP A 8 -19.268 -7.737 6.316 1.00 10.51 C ATOM 82 CG ASP A 8 -20.569 -8.250 6.884 1.00 53.00 C ATOM 83 OD1 ASP A 8 -21.635 -8.014 6.284 1.00 24.24 O ATOM 84 OD2 ASP A 8 -20.543 -8.899 7.946 1.00 12.10 O ATOM 0 H ASP A 8 -18.018 -10.105 6.021 1.00 2.23 H new ATOM 0 HA ASP A 8 -19.607 -8.341 4.286 1.00 25.52 H new ATOM 0 HB2 ASP A 8 -18.488 -7.846 7.070 1.00 10.51 H new ATOM 0 HB3 ASP A 8 -19.369 -6.671 6.114 1.00 10.51 H new ATOM 89 N MET A 9 -16.445 -8.549 4.618 1.00 61.44 N ATOM 90 CA MET A 9 -15.129 -8.016 4.312 1.00 61.01 C ATOM 91 C MET A 9 -14.393 -8.942 3.344 1.00 14.11 C ATOM 92 O MET A 9 -14.717 -10.125 3.229 1.00 14.23 O ATOM 93 CB MET A 9 -14.311 -7.908 5.609 1.00 71.23 C ATOM 94 CG MET A 9 -14.939 -7.063 6.719 1.00 12.43 C ATOM 95 SD MET A 9 -15.033 -5.299 6.355 1.00 74.42 S ATOM 96 CE MET A 9 -13.295 -4.859 6.358 1.00 21.13 C ATOM 0 H MET A 9 -16.448 -9.533 4.887 1.00 61.44 H new ATOM 0 HA MET A 9 -15.246 -7.034 3.854 1.00 61.01 H new ATOM 0 HB2 MET A 9 -14.141 -8.913 5.995 1.00 71.23 H new ATOM 0 HB3 MET A 9 -13.334 -7.490 5.367 1.00 71.23 H new ATOM 0 HG2 MET A 9 -15.945 -7.434 6.916 1.00 12.43 H new ATOM 0 HG3 MET A 9 -14.363 -7.202 7.634 1.00 12.43 H new ATOM 0 HE1 MET A 9 -13.183 -3.816 6.060 1.00 21.13 H new ATOM 0 HE2 MET A 9 -12.887 -4.996 7.359 1.00 21.13 H new ATOM 0 HE3 MET A 9 -12.757 -5.496 5.656 1.00 21.13 H new ATOM 106 N ILE A 10 -13.432 -8.403 2.654 1.00 64.12 N ATOM 107 CA ILE A 10 -12.561 -9.177 1.789 1.00 24.22 C ATOM 108 C ILE A 10 -11.108 -9.050 2.274 1.00 72.43 C ATOM 109 O ILE A 10 -10.692 -7.983 2.740 1.00 33.11 O ATOM 110 CB ILE A 10 -12.742 -8.822 0.257 1.00 55.30 C ATOM 111 CG1 ILE A 10 -12.625 -7.334 -0.051 1.00 14.44 C ATOM 112 CG2 ILE A 10 -14.030 -9.348 -0.295 1.00 10.53 C ATOM 113 CD1 ILE A 10 -11.235 -6.810 -0.109 1.00 74.24 C ATOM 0 H ILE A 10 -13.220 -7.405 2.669 1.00 64.12 H new ATOM 0 HA ILE A 10 -12.849 -10.226 1.859 1.00 24.22 H new ATOM 0 HB ILE A 10 -11.908 -9.321 -0.237 1.00 55.30 H new ATOM 0 HG12 ILE A 10 -13.111 -7.137 -1.006 1.00 14.44 H new ATOM 0 HG13 ILE A 10 -13.175 -6.777 0.707 1.00 14.44 H new ATOM 0 HG21 ILE A 10 -14.111 -9.080 -1.349 1.00 10.53 H new ATOM 0 HG22 ILE A 10 -14.053 -10.433 -0.193 1.00 10.53 H new ATOM 0 HG23 ILE A 10 -14.865 -8.914 0.254 1.00 10.53 H new ATOM 0 HD11 ILE A 10 -11.257 -5.744 -0.334 1.00 74.24 H new ATOM 0 HD12 ILE A 10 -10.746 -6.968 0.852 1.00 74.24 H new ATOM 0 HD13 ILE A 10 -10.681 -7.333 -0.888 1.00 74.24 H new ATOM 125 N ASN A 11 -10.357 -10.121 2.225 1.00 44.02 N ATOM 126 CA ASN A 11 -8.995 -10.082 2.735 1.00 65.40 C ATOM 127 C ASN A 11 -8.067 -9.797 1.589 1.00 60.04 C ATOM 128 O ASN A 11 -7.953 -10.593 0.658 1.00 42.13 O ATOM 129 CB ASN A 11 -8.643 -11.401 3.404 1.00 31.20 C ATOM 130 CG ASN A 11 -7.364 -11.342 4.235 1.00 73.51 C ATOM 131 OD1 ASN A 11 -6.279 -11.725 3.658 1.00 1.35 O flip ATOM 132 ND2 ASN A 11 -7.386 -10.988 5.411 1.00 62.13 N flip ATOM 0 H ASN A 11 -10.652 -11.021 1.845 1.00 44.02 H new ATOM 0 HA ASN A 11 -8.898 -9.297 3.485 1.00 65.40 H new ATOM 0 HB2 ASN A 11 -9.470 -11.705 4.046 1.00 31.20 H new ATOM 0 HB3 ASN A 11 -8.534 -12.169 2.639 1.00 31.20 H new ATOM 0 HD21 ASN A 11 -8.263 -10.690 5.838 1.00 62.13 H new ATOM 0 HD22 ASN A 11 -6.527 -10.992 5.961 1.00 62.13 H new ATOM 139 N LEU A 12 -7.416 -8.686 1.639 1.00 54.23 N ATOM 140 CA LEU A 12 -6.619 -8.248 0.538 1.00 42.25 C ATOM 141 C LEU A 12 -5.159 -8.129 0.892 1.00 51.25 C ATOM 142 O LEU A 12 -4.789 -7.582 1.930 1.00 41.42 O ATOM 143 CB LEU A 12 -7.166 -6.925 0.004 1.00 22.13 C ATOM 144 CG LEU A 12 -6.334 -6.199 -1.050 1.00 2.52 C ATOM 145 CD1 LEU A 12 -6.095 -7.035 -2.284 1.00 34.32 C ATOM 146 CD2 LEU A 12 -6.965 -4.884 -1.394 1.00 52.35 C ATOM 0 H LEU A 12 -7.419 -8.055 2.440 1.00 54.23 H new ATOM 0 HA LEU A 12 -6.682 -9.007 -0.242 1.00 42.25 H new ATOM 0 HB2 LEU A 12 -8.154 -7.113 -0.417 1.00 22.13 H new ATOM 0 HB3 LEU A 12 -7.303 -6.251 0.849 1.00 22.13 H new ATOM 0 HG LEU A 12 -5.351 -6.014 -0.616 1.00 2.52 H new ATOM 0 HD11 LEU A 12 -5.498 -6.467 -2.998 1.00 34.32 H new ATOM 0 HD12 LEU A 12 -5.563 -7.946 -2.009 1.00 34.32 H new ATOM 0 HD13 LEU A 12 -7.051 -7.297 -2.737 1.00 34.32 H new ATOM 0 HD21 LEU A 12 -6.362 -4.377 -2.147 1.00 52.35 H new ATOM 0 HD22 LEU A 12 -7.968 -5.053 -1.786 1.00 52.35 H new ATOM 0 HD23 LEU A 12 -7.025 -4.264 -0.499 1.00 52.35 H new ATOM 158 N ARG A 13 -4.339 -8.648 0.028 1.00 34.32 N ATOM 159 CA ARG A 13 -2.945 -8.546 0.176 1.00 33.51 C ATOM 160 C ARG A 13 -2.434 -7.544 -0.842 1.00 22.51 C ATOM 161 O ARG A 13 -2.608 -7.721 -2.052 1.00 34.04 O ATOM 162 CB ARG A 13 -2.334 -9.920 -0.031 1.00 40.53 C ATOM 163 CG ARG A 13 -0.872 -10.027 0.293 1.00 52.02 C ATOM 164 CD ARG A 13 -0.489 -11.481 0.324 1.00 43.14 C ATOM 165 NE ARG A 13 0.892 -11.691 0.722 1.00 42.02 N ATOM 166 CZ ARG A 13 1.275 -12.333 1.833 1.00 63.21 C ATOM 167 NH1 ARG A 13 0.369 -12.770 2.720 1.00 62.11 N ATOM 168 NH2 ARG A 13 2.566 -12.530 2.058 1.00 32.54 N ATOM 0 H ARG A 13 -4.637 -9.157 -0.804 1.00 34.32 H new ATOM 0 HA ARG A 13 -2.670 -8.200 1.172 1.00 33.51 H new ATOM 0 HB2 ARG A 13 -2.879 -10.638 0.582 1.00 40.53 H new ATOM 0 HB3 ARG A 13 -2.481 -10.212 -1.071 1.00 40.53 H new ATOM 0 HG2 ARG A 13 -0.280 -9.496 -0.453 1.00 52.02 H new ATOM 0 HG3 ARG A 13 -0.663 -9.561 1.256 1.00 52.02 H new ATOM 0 HD2 ARG A 13 -1.146 -12.010 1.014 1.00 43.14 H new ATOM 0 HD3 ARG A 13 -0.648 -11.915 -0.663 1.00 43.14 H new ATOM 0 HE ARG A 13 1.622 -11.323 0.112 1.00 42.02 H new ATOM 0 HH11 ARG A 13 -0.625 -12.615 2.552 1.00 62.11 H new ATOM 0 HH12 ARG A 13 0.674 -13.258 3.562 1.00 62.11 H new ATOM 0 HH21 ARG A 13 3.258 -12.194 1.388 1.00 32.54 H new ATOM 0 HH22 ARG A 13 2.868 -13.018 2.901 1.00 32.54 H new ATOM 182 N LEU A 14 -1.820 -6.522 -0.339 1.00 21.50 N ATOM 183 CA LEU A 14 -1.289 -5.409 -1.130 1.00 52.41 C ATOM 184 C LEU A 14 0.210 -5.580 -1.310 1.00 61.02 C ATOM 185 O LEU A 14 0.941 -5.792 -0.327 1.00 5.40 O ATOM 186 CB LEU A 14 -1.585 -4.001 -0.435 1.00 32.44 C ATOM 187 CG LEU A 14 -3.053 -3.555 -0.271 1.00 14.35 C ATOM 188 CD1 LEU A 14 -3.734 -3.395 -1.612 1.00 33.54 C ATOM 189 CD2 LEU A 14 -3.847 -4.492 0.623 1.00 64.24 C ATOM 0 H LEU A 14 -1.659 -6.416 0.663 1.00 21.50 H new ATOM 0 HA LEU A 14 -1.786 -5.419 -2.100 1.00 52.41 H new ATOM 0 HB2 LEU A 14 -1.131 -4.019 0.556 1.00 32.44 H new ATOM 0 HB3 LEU A 14 -1.067 -3.233 -1.009 1.00 32.44 H new ATOM 0 HG LEU A 14 -3.027 -2.582 0.221 1.00 14.35 H new ATOM 0 HD11 LEU A 14 -4.766 -3.080 -1.460 1.00 33.54 H new ATOM 0 HD12 LEU A 14 -3.208 -2.643 -2.200 1.00 33.54 H new ATOM 0 HD13 LEU A 14 -3.719 -4.347 -2.143 1.00 33.54 H new ATOM 0 HD21 LEU A 14 -4.873 -4.134 0.706 1.00 64.24 H new ATOM 0 HD22 LEU A 14 -3.846 -5.493 0.193 1.00 64.24 H new ATOM 0 HD23 LEU A 14 -3.392 -4.522 1.613 1.00 64.24 H new ATOM 201 N ILE A 15 0.683 -5.528 -2.540 1.00 33.23 N ATOM 202 CA ILE A 15 2.104 -5.581 -2.745 1.00 32.33 C ATOM 203 C ILE A 15 2.572 -4.158 -2.953 1.00 3.23 C ATOM 204 O ILE A 15 2.169 -3.501 -3.923 1.00 20.42 O ATOM 205 CB ILE A 15 2.517 -6.398 -3.991 1.00 62.20 C ATOM 206 CG1 ILE A 15 1.790 -7.751 -4.068 1.00 62.12 C ATOM 207 CG2 ILE A 15 4.029 -6.610 -3.969 1.00 61.22 C ATOM 208 CD1 ILE A 15 2.087 -8.693 -2.969 1.00 31.24 C ATOM 0 H ILE A 15 0.118 -5.451 -3.386 1.00 33.23 H new ATOM 0 HA ILE A 15 2.551 -6.068 -1.878 1.00 32.33 H new ATOM 0 HB ILE A 15 2.229 -5.834 -4.878 1.00 62.20 H new ATOM 0 HG12 ILE A 15 0.716 -7.567 -4.086 1.00 62.12 H new ATOM 0 HG13 ILE A 15 2.047 -8.229 -5.013 1.00 62.12 H new ATOM 0 HG21 ILE A 15 4.328 -7.186 -4.845 1.00 61.22 H new ATOM 0 HG22 ILE A 15 4.532 -5.643 -3.981 1.00 61.22 H new ATOM 0 HG23 ILE A 15 4.307 -7.153 -3.066 1.00 61.22 H new ATOM 0 HD11 ILE A 15 1.525 -9.615 -3.118 1.00 31.24 H new ATOM 0 HD12 ILE A 15 3.154 -8.916 -2.960 1.00 31.24 H new ATOM 0 HD13 ILE A 15 1.802 -8.244 -2.018 1.00 31.24 H new ATOM 220 N LEU A 16 3.393 -3.683 -2.060 1.00 2.02 N ATOM 221 CA LEU A 16 3.893 -2.314 -2.115 1.00 60.23 C ATOM 222 C LEU A 16 4.956 -2.170 -3.215 1.00 71.54 C ATOM 223 O LEU A 16 5.569 -3.163 -3.626 1.00 34.43 O ATOM 224 CB LEU A 16 4.467 -1.870 -0.736 1.00 60.41 C ATOM 225 CG LEU A 16 3.466 -1.670 0.455 1.00 4.33 C ATOM 226 CD1 LEU A 16 2.701 -2.938 0.812 1.00 4.33 C ATOM 227 CD2 LEU A 16 4.204 -1.155 1.681 1.00 34.14 C ATOM 0 H LEU A 16 3.742 -4.223 -1.268 1.00 2.02 H new ATOM 0 HA LEU A 16 3.055 -1.660 -2.356 1.00 60.23 H new ATOM 0 HB2 LEU A 16 5.206 -2.610 -0.429 1.00 60.41 H new ATOM 0 HB3 LEU A 16 5.000 -0.931 -0.884 1.00 60.41 H new ATOM 0 HG LEU A 16 2.732 -0.936 0.123 1.00 4.33 H new ATOM 0 HD11 LEU A 16 2.026 -2.734 1.643 1.00 4.33 H new ATOM 0 HD12 LEU A 16 2.124 -3.270 -0.051 1.00 4.33 H new ATOM 0 HD13 LEU A 16 3.405 -3.719 1.100 1.00 4.33 H new ATOM 0 HD21 LEU A 16 3.498 -1.020 2.501 1.00 34.14 H new ATOM 0 HD22 LEU A 16 4.968 -1.875 1.975 1.00 34.14 H new ATOM 0 HD23 LEU A 16 4.675 -0.200 1.448 1.00 34.14 H new ATOM 239 N VAL A 17 5.181 -0.937 -3.687 1.00 21.13 N ATOM 240 CA VAL A 17 6.189 -0.663 -4.743 1.00 50.44 C ATOM 241 C VAL A 17 7.589 -0.946 -4.219 1.00 32.32 C ATOM 242 O VAL A 17 8.503 -1.271 -4.970 1.00 75.21 O ATOM 243 CB VAL A 17 6.093 0.808 -5.257 1.00 0.00 C ATOM 244 CG1 VAL A 17 7.159 1.119 -6.308 1.00 44.22 C ATOM 245 CG2 VAL A 17 4.728 1.060 -5.838 1.00 12.24 C ATOM 0 H VAL A 17 4.684 -0.108 -3.361 1.00 21.13 H new ATOM 0 HA VAL A 17 5.981 -1.325 -5.584 1.00 50.44 H new ATOM 0 HB VAL A 17 6.263 1.464 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.055 2.153 -6.637 1.00 44.22 H new ATOM 0 HG12 VAL A 17 8.149 0.974 -5.876 1.00 44.22 H new ATOM 0 HG13 VAL A 17 7.034 0.452 -7.161 1.00 44.22 H new ATOM 0 HG21 VAL A 17 4.668 2.088 -6.195 1.00 12.24 H new ATOM 0 HG22 VAL A 17 4.555 0.377 -6.670 1.00 12.24 H new ATOM 0 HG23 VAL A 17 3.971 0.897 -5.071 1.00 12.24 H new ATOM 255 N SER A 18 7.716 -0.894 -2.919 1.00 23.31 N ATOM 256 CA SER A 18 8.961 -1.130 -2.244 1.00 21.23 C ATOM 257 C SER A 18 9.278 -2.638 -2.228 1.00 61.14 C ATOM 258 O SER A 18 10.337 -3.063 -1.759 1.00 15.54 O ATOM 259 CB SER A 18 8.793 -0.633 -0.825 1.00 14.31 C ATOM 260 OG SER A 18 8.217 0.661 -0.828 1.00 22.33 O ATOM 0 H SER A 18 6.942 -0.682 -2.290 1.00 23.31 H new ATOM 0 HA SER A 18 9.778 -0.616 -2.750 1.00 21.23 H new ATOM 0 HB2 SER A 18 8.160 -1.320 -0.263 1.00 14.31 H new ATOM 0 HB3 SER A 18 9.760 -0.608 -0.323 1.00 14.31 H new ATOM 0 HG SER A 18 8.110 0.974 0.095 1.00 22.33 H new ATOM 266 N GLY A 19 8.346 -3.435 -2.745 1.00 53.21 N ATOM 267 CA GLY A 19 8.506 -4.868 -2.787 1.00 42.12 C ATOM 268 C GLY A 19 8.116 -5.503 -1.491 1.00 11.12 C ATOM 269 O GLY A 19 8.317 -6.701 -1.278 1.00 31.32 O ATOM 0 H GLY A 19 7.468 -3.099 -3.141 1.00 53.21 H new ATOM 0 HA2 GLY A 19 7.897 -5.279 -3.592 1.00 42.12 H new ATOM 0 HA3 GLY A 19 9.543 -5.112 -3.015 1.00 42.12 H new ATOM 273 N LYS A 20 7.539 -4.707 -0.625 1.00 3.14 N ATOM 274 CA LYS A 20 7.109 -5.181 0.652 1.00 30.04 C ATOM 275 C LYS A 20 5.723 -5.720 0.490 1.00 41.12 C ATOM 276 O LYS A 20 4.875 -5.087 -0.130 1.00 45.25 O ATOM 277 CB LYS A 20 7.130 -4.049 1.698 1.00 74.41 C ATOM 278 CG LYS A 20 8.504 -3.391 1.904 1.00 42.53 C ATOM 279 CD LYS A 20 9.577 -4.387 2.352 1.00 63.11 C ATOM 280 CE LYS A 20 9.241 -5.035 3.698 1.00 1.33 C ATOM 281 NZ LYS A 20 10.259 -6.035 4.109 1.00 12.11 N ATOM 0 H LYS A 20 7.358 -3.717 -0.792 1.00 3.14 H new ATOM 0 HA LYS A 20 7.784 -5.959 1.009 1.00 30.04 H new ATOM 0 HB2 LYS A 20 6.416 -3.282 1.398 1.00 74.41 H new ATOM 0 HB3 LYS A 20 6.787 -4.448 2.652 1.00 74.41 H new ATOM 0 HG2 LYS A 20 8.819 -2.919 0.973 1.00 42.53 H new ATOM 0 HG3 LYS A 20 8.415 -2.600 2.649 1.00 42.53 H new ATOM 0 HD2 LYS A 20 9.688 -5.163 1.595 1.00 63.11 H new ATOM 0 HD3 LYS A 20 10.536 -3.875 2.427 1.00 63.11 H new ATOM 0 HE2 LYS A 20 9.164 -4.262 4.462 1.00 1.33 H new ATOM 0 HE3 LYS A 20 8.266 -5.517 3.634 1.00 1.33 H new ATOM 0 HZ1 LYS A 20 9.990 -6.447 5.025 1.00 12.11 H new ATOM 0 HZ2 LYS A 20 10.315 -6.788 3.393 1.00 12.11 H new ATOM 0 HZ3 LYS A 20 11.186 -5.571 4.197 1.00 12.11 H new ATOM 295 N THR A 21 5.501 -6.882 0.988 1.00 40.50 N ATOM 296 CA THR A 21 4.232 -7.504 0.857 1.00 10.50 C ATOM 297 C THR A 21 3.519 -7.500 2.185 1.00 12.52 C ATOM 298 O THR A 21 4.090 -7.918 3.203 1.00 12.15 O ATOM 299 CB THR A 21 4.414 -8.941 0.364 1.00 55.53 C ATOM 300 OG1 THR A 21 5.276 -9.669 1.278 1.00 51.45 O ATOM 301 CG2 THR A 21 5.041 -8.949 -1.018 1.00 55.43 C ATOM 0 H THR A 21 6.194 -7.430 1.498 1.00 40.50 H new ATOM 0 HA THR A 21 3.632 -6.951 0.134 1.00 10.50 H new ATOM 0 HB THR A 21 3.435 -9.418 0.319 1.00 55.53 H new ATOM 0 HG1 THR A 21 5.254 -9.241 2.159 1.00 51.45 H new ATOM 0 HG21 THR A 21 5.164 -9.978 -1.356 1.00 55.43 H new ATOM 0 HG22 THR A 21 4.395 -8.414 -1.714 1.00 55.43 H new ATOM 0 HG23 THR A 21 6.015 -8.461 -0.979 1.00 55.43 H new ATOM 309 N LYS A 22 2.295 -7.046 2.198 1.00 72.20 N ATOM 310 CA LYS A 22 1.548 -6.999 3.440 1.00 63.52 C ATOM 311 C LYS A 22 0.059 -7.205 3.172 1.00 52.32 C ATOM 312 O LYS A 22 -0.441 -6.846 2.109 1.00 12.24 O ATOM 313 CB LYS A 22 1.860 -5.695 4.188 1.00 1.32 C ATOM 314 CG LYS A 22 1.237 -5.585 5.564 1.00 42.21 C ATOM 315 CD LYS A 22 1.769 -4.383 6.320 1.00 44.00 C ATOM 316 CE LYS A 22 1.544 -3.094 5.564 1.00 41.15 C ATOM 317 NZ LYS A 22 1.980 -1.934 6.344 1.00 44.14 N ATOM 0 H LYS A 22 1.793 -6.706 1.378 1.00 72.20 H new ATOM 0 HA LYS A 22 1.856 -7.816 4.093 1.00 63.52 H new ATOM 0 HB2 LYS A 22 2.941 -5.599 4.286 1.00 1.32 H new ATOM 0 HB3 LYS A 22 1.519 -4.855 3.582 1.00 1.32 H new ATOM 0 HG2 LYS A 22 0.154 -5.506 5.469 1.00 42.21 H new ATOM 0 HG3 LYS A 22 1.442 -6.493 6.131 1.00 42.21 H new ATOM 0 HD2 LYS A 22 1.282 -4.322 7.293 1.00 44.00 H new ATOM 0 HD3 LYS A 22 2.835 -4.514 6.505 1.00 44.00 H new ATOM 0 HE2 LYS A 22 2.088 -3.125 4.620 1.00 41.15 H new ATOM 0 HE3 LYS A 22 0.486 -2.993 5.320 1.00 41.15 H new ATOM 0 HZ1 LYS A 22 1.735 -1.061 5.834 1.00 44.14 H new ATOM 0 HZ2 LYS A 22 1.505 -1.940 7.269 1.00 44.14 H new ATOM 0 HZ3 LYS A 22 3.010 -1.976 6.483 1.00 44.14 H new ATOM 331 N GLU A 23 -0.642 -7.779 4.123 1.00 20.23 N ATOM 332 CA GLU A 23 -2.006 -8.199 3.907 1.00 42.40 C ATOM 333 C GLU A 23 -2.919 -7.693 5.027 1.00 54.43 C ATOM 334 O GLU A 23 -2.594 -7.843 6.202 1.00 12.23 O ATOM 335 CB GLU A 23 -2.001 -9.714 3.887 1.00 61.42 C ATOM 336 CG GLU A 23 -3.237 -10.362 3.379 1.00 31.11 C ATOM 337 CD GLU A 23 -3.109 -11.857 3.469 1.00 74.53 C ATOM 338 OE1 GLU A 23 -2.372 -12.441 2.653 1.00 62.15 O ATOM 339 OE2 GLU A 23 -3.736 -12.467 4.365 1.00 52.44 O ATOM 0 H GLU A 23 -0.286 -7.966 5.060 1.00 20.23 H new ATOM 0 HA GLU A 23 -2.386 -7.791 2.970 1.00 42.40 H new ATOM 0 HB2 GLU A 23 -1.162 -10.047 3.276 1.00 61.42 H new ATOM 0 HB3 GLU A 23 -1.818 -10.070 4.901 1.00 61.42 H new ATOM 0 HG2 GLU A 23 -4.097 -10.027 3.958 1.00 31.11 H new ATOM 0 HG3 GLU A 23 -3.414 -10.066 2.345 1.00 31.11 H new ATOM 346 N PHE A 24 -4.055 -7.122 4.654 1.00 61.12 N ATOM 347 CA PHE A 24 -5.027 -6.580 5.606 1.00 62.44 C ATOM 348 C PHE A 24 -6.457 -6.808 5.154 1.00 25.12 C ATOM 349 O PHE A 24 -6.730 -7.076 3.980 1.00 35.14 O ATOM 350 CB PHE A 24 -4.829 -5.091 5.914 1.00 73.21 C ATOM 351 CG PHE A 24 -3.611 -4.748 6.709 1.00 71.34 C ATOM 352 CD1 PHE A 24 -3.375 -5.347 7.931 1.00 65.30 C ATOM 353 CD2 PHE A 24 -2.722 -3.806 6.252 1.00 61.34 C ATOM 354 CE1 PHE A 24 -2.271 -5.014 8.672 1.00 35.31 C ATOM 355 CE2 PHE A 24 -1.616 -3.468 6.989 1.00 61.10 C ATOM 356 CZ PHE A 24 -1.388 -4.072 8.198 1.00 45.11 C ATOM 0 H PHE A 24 -4.334 -7.019 3.678 1.00 61.12 H new ATOM 0 HA PHE A 24 -4.843 -7.135 6.526 1.00 62.44 H new ATOM 0 HB2 PHE A 24 -4.789 -4.546 4.971 1.00 73.21 H new ATOM 0 HB3 PHE A 24 -5.705 -4.731 6.453 1.00 73.21 H new ATOM 0 HD1 PHE A 24 -4.068 -6.086 8.307 1.00 65.30 H new ATOM 0 HD2 PHE A 24 -2.896 -3.326 5.301 1.00 61.34 H new ATOM 0 HE1 PHE A 24 -2.095 -5.490 9.625 1.00 35.31 H new ATOM 0 HE2 PHE A 24 -0.925 -2.726 6.617 1.00 61.10 H new ATOM 0 HZ PHE A 24 -0.516 -3.809 8.778 1.00 45.11 H new ATOM 366 N LEU A 25 -7.359 -6.722 6.098 1.00 32.24 N ATOM 367 CA LEU A 25 -8.761 -6.895 5.833 1.00 33.01 C ATOM 368 C LEU A 25 -9.361 -5.558 5.383 1.00 25.10 C ATOM 369 O LEU A 25 -9.238 -4.546 6.081 1.00 60.30 O ATOM 370 CB LEU A 25 -9.462 -7.356 7.111 1.00 63.01 C ATOM 371 CG LEU A 25 -10.916 -7.756 6.968 1.00 25.25 C ATOM 372 CD1 LEU A 25 -11.039 -8.940 6.045 1.00 23.44 C ATOM 373 CD2 LEU A 25 -11.518 -8.070 8.323 1.00 3.22 C ATOM 0 H LEU A 25 -7.139 -6.529 7.075 1.00 32.24 H new ATOM 0 HA LEU A 25 -8.896 -7.640 5.049 1.00 33.01 H new ATOM 0 HB2 LEU A 25 -8.911 -8.205 7.517 1.00 63.01 H new ATOM 0 HB3 LEU A 25 -9.398 -6.553 7.846 1.00 63.01 H new ATOM 0 HG LEU A 25 -11.467 -6.920 6.537 1.00 25.25 H new ATOM 0 HD11 LEU A 25 -12.088 -9.219 5.949 1.00 23.44 H new ATOM 0 HD12 LEU A 25 -10.642 -8.679 5.064 1.00 23.44 H new ATOM 0 HD13 LEU A 25 -10.476 -9.779 6.453 1.00 23.44 H new ATOM 0 HD21 LEU A 25 -12.563 -8.355 8.200 1.00 3.22 H new ATOM 0 HD22 LEU A 25 -10.969 -8.892 8.783 1.00 3.22 H new ATOM 0 HD23 LEU A 25 -11.455 -7.189 8.962 1.00 3.22 H new ATOM 385 N PHE A 26 -10.012 -5.559 4.247 1.00 73.41 N ATOM 386 CA PHE A 26 -10.632 -4.360 3.715 1.00 5.21 C ATOM 387 C PHE A 26 -12.030 -4.674 3.255 1.00 71.51 C ATOM 388 O PHE A 26 -12.436 -5.842 3.235 1.00 72.22 O ATOM 389 CB PHE A 26 -9.802 -3.757 2.567 1.00 65.52 C ATOM 390 CG PHE A 26 -8.457 -3.230 2.996 1.00 50.21 C ATOM 391 CD1 PHE A 26 -8.352 -1.969 3.545 1.00 53.00 C ATOM 392 CD2 PHE A 26 -7.304 -3.988 2.853 1.00 11.24 C ATOM 393 CE1 PHE A 26 -7.132 -1.476 3.946 1.00 32.43 C ATOM 394 CE2 PHE A 26 -6.086 -3.499 3.251 1.00 3.10 C ATOM 395 CZ PHE A 26 -5.994 -2.242 3.800 1.00 43.34 C ATOM 0 H PHE A 26 -10.130 -6.386 3.662 1.00 73.41 H new ATOM 0 HA PHE A 26 -10.675 -3.614 4.509 1.00 5.21 H new ATOM 0 HB2 PHE A 26 -9.655 -4.517 1.800 1.00 65.52 H new ATOM 0 HB3 PHE A 26 -10.369 -2.947 2.109 1.00 65.52 H new ATOM 0 HD1 PHE A 26 -9.238 -1.362 3.661 1.00 53.00 H new ATOM 0 HD2 PHE A 26 -7.366 -4.977 2.422 1.00 11.24 H new ATOM 0 HE1 PHE A 26 -7.065 -0.488 4.376 1.00 32.43 H new ATOM 0 HE2 PHE A 26 -5.198 -4.102 3.133 1.00 3.10 H new ATOM 0 HZ PHE A 26 -5.036 -1.856 4.115 1.00 43.34 H new ATOM 405 N SER A 27 -12.785 -3.680 2.916 1.00 12.42 N ATOM 406 CA SER A 27 -14.104 -3.940 2.462 1.00 22.25 C ATOM 407 C SER A 27 -14.081 -3.997 0.955 1.00 33.34 C ATOM 408 O SER A 27 -13.243 -3.353 0.325 1.00 63.24 O ATOM 409 CB SER A 27 -15.107 -2.878 2.976 1.00 61.52 C ATOM 410 OG SER A 27 -14.826 -1.576 2.484 1.00 21.43 O ATOM 0 H SER A 27 -12.514 -2.697 2.945 1.00 12.42 H new ATOM 0 HA SER A 27 -14.445 -4.895 2.861 1.00 22.25 H new ATOM 0 HB2 SER A 27 -16.116 -3.164 2.680 1.00 61.52 H new ATOM 0 HB3 SER A 27 -15.087 -2.862 4.066 1.00 61.52 H new ATOM 0 HG SER A 27 -13.892 -1.532 2.190 1.00 21.43 H new ATOM 416 N PRO A 28 -14.973 -4.770 0.339 1.00 1.41 N ATOM 417 CA PRO A 28 -15.060 -4.860 -1.124 1.00 71.41 C ATOM 418 C PRO A 28 -15.431 -3.502 -1.761 1.00 3.13 C ATOM 419 O PRO A 28 -15.324 -3.317 -2.986 1.00 42.25 O ATOM 420 CB PRO A 28 -16.158 -5.911 -1.336 1.00 21.14 C ATOM 421 CG PRO A 28 -16.956 -5.854 -0.087 1.00 4.02 C ATOM 422 CD PRO A 28 -15.954 -5.653 0.993 1.00 74.22 C ATOM 0 HA PRO A 28 -14.114 -5.129 -1.594 1.00 71.41 H new ATOM 0 HB2 PRO A 28 -16.768 -5.681 -2.210 1.00 21.14 H new ATOM 0 HB3 PRO A 28 -15.735 -6.903 -1.495 1.00 21.14 H new ATOM 0 HG2 PRO A 28 -17.677 -5.037 -0.115 1.00 4.02 H new ATOM 0 HG3 PRO A 28 -17.522 -6.774 0.064 1.00 4.02 H new ATOM 0 HD2 PRO A 28 -16.394 -5.191 1.877 1.00 74.22 H new ATOM 0 HD3 PRO A 28 -15.506 -6.593 1.314 1.00 74.22 H new ATOM 430 N ASN A 29 -15.838 -2.563 -0.896 1.00 73.30 N ATOM 431 CA ASN A 29 -16.205 -1.207 -1.274 1.00 71.11 C ATOM 432 C ASN A 29 -14.951 -0.371 -1.472 1.00 43.34 C ATOM 433 O ASN A 29 -14.979 0.663 -2.144 1.00 13.15 O ATOM 434 CB ASN A 29 -17.045 -0.555 -0.167 1.00 52.12 C ATOM 435 CG ASN A 29 -18.317 -1.308 0.168 1.00 40.41 C ATOM 436 OD1 ASN A 29 -18.314 -2.197 1.027 1.00 32.04 O ATOM 437 ND2 ASN A 29 -19.404 -0.960 -0.473 1.00 12.15 N ATOM 0 H ASN A 29 -15.920 -2.737 0.106 1.00 73.30 H new ATOM 0 HA ASN A 29 -16.781 -1.253 -2.198 1.00 71.11 H new ATOM 0 HB2 ASN A 29 -16.437 -0.471 0.734 1.00 52.12 H new ATOM 0 HB3 ASN A 29 -17.305 0.459 -0.472 1.00 52.12 H new ATOM 0 HD21 ASN A 29 -20.288 -1.427 -0.270 1.00 12.15 H new ATOM 0 HD22 ASN A 29 -19.367 -0.221 -1.176 1.00 12.15 H new ATOM 444 N ASP A 30 -13.852 -0.811 -0.878 1.00 3.23 N ATOM 445 CA ASP A 30 -12.590 -0.097 -0.988 1.00 21.11 C ATOM 446 C ASP A 30 -11.970 -0.326 -2.351 1.00 62.31 C ATOM 447 O ASP A 30 -12.223 -1.356 -2.996 1.00 15.14 O ATOM 448 CB ASP A 30 -11.586 -0.489 0.130 1.00 13.04 C ATOM 449 CG ASP A 30 -12.010 -0.065 1.521 1.00 70.23 C ATOM 450 OD1 ASP A 30 -12.021 1.156 1.796 1.00 60.32 O ATOM 451 OD2 ASP A 30 -12.350 -0.941 2.355 1.00 23.11 O ATOM 0 H ASP A 30 -13.809 -1.660 -0.314 1.00 3.23 H new ATOM 0 HA ASP A 30 -12.813 0.963 -0.865 1.00 21.11 H new ATOM 0 HB2 ASP A 30 -11.450 -1.570 0.118 1.00 13.04 H new ATOM 0 HB3 ASP A 30 -10.617 -0.043 -0.094 1.00 13.04 H new ATOM 456 N SER A 31 -11.190 0.623 -2.811 1.00 62.54 N ATOM 457 CA SER A 31 -10.530 0.492 -4.080 1.00 35.01 C ATOM 458 C SER A 31 -9.046 0.218 -3.869 1.00 33.23 C ATOM 459 O SER A 31 -8.417 0.822 -3.010 1.00 42.43 O ATOM 460 CB SER A 31 -10.763 1.730 -4.952 1.00 30.53 C ATOM 461 OG SER A 31 -10.301 2.900 -4.317 1.00 43.14 O ATOM 0 H SER A 31 -10.999 1.496 -2.320 1.00 62.54 H new ATOM 0 HA SER A 31 -10.957 -0.357 -4.614 1.00 35.01 H new ATOM 0 HB2 SER A 31 -10.252 1.606 -5.907 1.00 30.53 H new ATOM 0 HB3 SER A 31 -11.826 1.828 -5.170 1.00 30.53 H new ATOM 0 HG SER A 31 -10.730 3.683 -4.722 1.00 43.14 H new ATOM 467 N ALA A 32 -8.512 -0.686 -4.658 1.00 12.12 N ATOM 468 CA ALA A 32 -7.127 -1.148 -4.542 1.00 25.33 C ATOM 469 C ALA A 32 -6.089 -0.005 -4.492 1.00 3.32 C ATOM 470 O ALA A 32 -5.228 0.011 -3.614 1.00 11.44 O ATOM 471 CB ALA A 32 -6.831 -2.052 -5.699 1.00 61.12 C ATOM 0 H ALA A 32 -9.028 -1.135 -5.415 1.00 12.12 H new ATOM 0 HA ALA A 32 -7.039 -1.673 -3.591 1.00 25.33 H new ATOM 0 HB1 ALA A 32 -5.803 -2.407 -5.630 1.00 61.12 H new ATOM 0 HB2 ALA A 32 -7.511 -2.904 -5.678 1.00 61.12 H new ATOM 0 HB3 ALA A 32 -6.964 -1.504 -6.632 1.00 61.12 H new ATOM 477 N SER A 33 -6.179 0.937 -5.427 1.00 52.22 N ATOM 478 CA SER A 33 -5.216 2.035 -5.510 1.00 33.35 C ATOM 479 C SER A 33 -5.298 2.939 -4.252 1.00 45.12 C ATOM 480 O SER A 33 -4.299 3.519 -3.822 1.00 35.14 O ATOM 481 CB SER A 33 -5.477 2.844 -6.781 1.00 12.23 C ATOM 482 OG SER A 33 -5.675 1.973 -7.886 1.00 21.11 O ATOM 0 H SER A 33 -6.909 0.963 -6.139 1.00 52.22 H new ATOM 0 HA SER A 33 -4.208 1.622 -5.552 1.00 33.35 H new ATOM 0 HB2 SER A 33 -6.355 3.476 -6.645 1.00 12.23 H new ATOM 0 HB3 SER A 33 -4.635 3.507 -6.978 1.00 12.23 H new ATOM 0 HG SER A 33 -6.078 2.471 -8.627 1.00 21.11 H new ATOM 488 N ASP A 34 -6.496 3.045 -3.685 1.00 35.12 N ATOM 489 CA ASP A 34 -6.730 3.790 -2.441 1.00 54.22 C ATOM 490 C ASP A 34 -6.097 3.037 -1.294 1.00 24.34 C ATOM 491 O ASP A 34 -5.380 3.603 -0.477 1.00 71.33 O ATOM 492 CB ASP A 34 -8.247 3.939 -2.215 1.00 41.01 C ATOM 493 CG ASP A 34 -8.636 4.687 -0.959 1.00 24.40 C ATOM 494 OD1 ASP A 34 -8.706 5.925 -0.997 1.00 51.23 O ATOM 495 OD2 ASP A 34 -8.932 4.045 0.072 1.00 72.31 O ATOM 0 H ASP A 34 -7.337 2.618 -4.072 1.00 35.12 H new ATOM 0 HA ASP A 34 -6.286 4.783 -2.505 1.00 54.22 H new ATOM 0 HB2 ASP A 34 -8.678 4.453 -3.074 1.00 41.01 H new ATOM 0 HB3 ASP A 34 -8.693 2.945 -2.181 1.00 41.01 H new ATOM 500 N ILE A 35 -6.326 1.745 -1.281 1.00 32.10 N ATOM 501 CA ILE A 35 -5.815 0.863 -0.255 1.00 11.42 C ATOM 502 C ILE A 35 -4.278 0.859 -0.202 1.00 34.42 C ATOM 503 O ILE A 35 -3.700 0.708 0.867 1.00 63.02 O ATOM 504 CB ILE A 35 -6.342 -0.561 -0.427 1.00 44.11 C ATOM 505 CG1 ILE A 35 -7.859 -0.579 -0.349 1.00 33.31 C ATOM 506 CG2 ILE A 35 -5.768 -1.455 0.622 1.00 10.13 C ATOM 507 CD1 ILE A 35 -8.440 -1.949 -0.502 1.00 72.31 C ATOM 0 H ILE A 35 -6.880 1.269 -1.993 1.00 32.10 H new ATOM 0 HA ILE A 35 -6.178 1.255 0.695 1.00 11.42 H new ATOM 0 HB ILE A 35 -6.037 -0.925 -1.408 1.00 44.11 H new ATOM 0 HG12 ILE A 35 -8.172 -0.163 0.609 1.00 33.31 H new ATOM 0 HG13 ILE A 35 -8.264 0.069 -1.126 1.00 33.31 H new ATOM 0 HG21 ILE A 35 -6.152 -2.466 0.488 1.00 10.13 H new ATOM 0 HG22 ILE A 35 -4.681 -1.465 0.537 1.00 10.13 H new ATOM 0 HG23 ILE A 35 -6.051 -1.087 1.608 1.00 10.13 H new ATOM 0 HD11 ILE A 35 -9.527 -1.893 -0.437 1.00 72.31 H new ATOM 0 HD12 ILE A 35 -8.155 -2.359 -1.471 1.00 72.31 H new ATOM 0 HD13 ILE A 35 -8.062 -2.595 0.290 1.00 72.31 H new ATOM 519 N ALA A 36 -3.632 1.012 -1.354 1.00 34.45 N ATOM 520 CA ALA A 36 -2.183 1.157 -1.416 1.00 72.42 C ATOM 521 C ALA A 36 -1.707 2.232 -0.426 1.00 51.11 C ATOM 522 O ALA A 36 -0.736 2.031 0.276 1.00 1.21 O ATOM 523 CB ALA A 36 -1.744 1.508 -2.831 1.00 15.12 C ATOM 0 H ALA A 36 -4.094 1.039 -2.263 1.00 34.45 H new ATOM 0 HA ALA A 36 -1.729 0.206 -1.138 1.00 72.42 H new ATOM 0 HB1 ALA A 36 -0.659 1.613 -2.860 1.00 15.12 H new ATOM 0 HB2 ALA A 36 -2.050 0.716 -3.514 1.00 15.12 H new ATOM 0 HB3 ALA A 36 -2.207 2.447 -3.133 1.00 15.12 H new ATOM 529 N LYS A 37 -2.453 3.333 -0.325 1.00 43.12 N ATOM 530 CA LYS A 37 -2.129 4.398 0.617 1.00 62.24 C ATOM 531 C LYS A 37 -2.241 3.878 2.043 1.00 42.53 C ATOM 532 O LYS A 37 -1.352 4.079 2.869 1.00 34.22 O ATOM 533 CB LYS A 37 -3.107 5.583 0.454 1.00 23.43 C ATOM 534 CG LYS A 37 -2.896 6.550 -0.703 1.00 72.05 C ATOM 535 CD LYS A 37 -3.157 5.939 -2.053 1.00 62.12 C ATOM 536 CE LYS A 37 -3.100 6.998 -3.140 1.00 24.30 C ATOM 537 NZ LYS A 37 -4.131 8.059 -2.947 1.00 61.40 N ATOM 0 H LYS A 37 -3.287 3.508 -0.886 1.00 43.12 H new ATOM 0 HA LYS A 37 -1.112 4.732 0.414 1.00 62.24 H new ATOM 0 HB2 LYS A 37 -4.112 5.172 0.362 1.00 23.43 H new ATOM 0 HB3 LYS A 37 -3.082 6.162 1.377 1.00 23.43 H new ATOM 0 HG2 LYS A 37 -3.551 7.411 -0.570 1.00 72.05 H new ATOM 0 HG3 LYS A 37 -1.872 6.921 -0.673 1.00 72.05 H new ATOM 0 HD2 LYS A 37 -2.419 5.163 -2.255 1.00 62.12 H new ATOM 0 HD3 LYS A 37 -4.135 5.458 -2.057 1.00 62.12 H new ATOM 0 HE2 LYS A 37 -2.110 7.453 -3.150 1.00 24.30 H new ATOM 0 HE3 LYS A 37 -3.244 6.527 -4.112 1.00 24.30 H new ATOM 0 HZ1 LYS A 37 -4.303 8.544 -3.851 1.00 61.40 H new ATOM 0 HZ2 LYS A 37 -5.015 7.627 -2.612 1.00 61.40 H new ATOM 0 HZ3 LYS A 37 -3.794 8.747 -2.244 1.00 61.40 H new ATOM 551 N HIS A 38 -3.325 3.151 2.269 1.00 33.10 N ATOM 552 CA HIS A 38 -3.734 2.635 3.575 1.00 42.41 C ATOM 553 C HIS A 38 -2.686 1.671 4.108 1.00 42.32 C ATOM 554 O HIS A 38 -2.335 1.705 5.288 1.00 40.21 O ATOM 555 CB HIS A 38 -5.051 1.882 3.390 1.00 41.30 C ATOM 556 CG HIS A 38 -5.959 1.818 4.577 1.00 14.12 C ATOM 557 ND1 HIS A 38 -5.879 0.892 5.600 1.00 10.03 N ATOM 558 CD2 HIS A 38 -7.037 2.566 4.852 1.00 22.23 C ATOM 559 CE1 HIS A 38 -6.882 1.088 6.429 1.00 61.14 C ATOM 560 NE2 HIS A 38 -7.593 2.096 5.998 1.00 33.43 N ATOM 0 H HIS A 38 -3.971 2.892 1.523 1.00 33.10 H new ATOM 0 HA HIS A 38 -3.848 3.458 4.281 1.00 42.41 H new ATOM 0 HB2 HIS A 38 -5.596 2.347 2.569 1.00 41.30 H new ATOM 0 HB3 HIS A 38 -4.820 0.862 3.083 1.00 41.30 H new ATOM 0 HD2 HIS A 38 -7.400 3.397 4.265 1.00 22.23 H new ATOM 0 HE1 HIS A 38 -7.084 0.511 7.319 1.00 61.14 H new ATOM 0 HE2 HIS A 38 -8.429 2.469 6.449 1.00 33.43 H new ATOM 569 N VAL A 39 -2.201 0.808 3.225 1.00 12.21 N ATOM 570 CA VAL A 39 -1.228 -0.183 3.593 1.00 40.34 C ATOM 571 C VAL A 39 0.176 0.379 3.794 1.00 13.54 C ATOM 572 O VAL A 39 0.927 -0.147 4.612 1.00 64.13 O ATOM 573 CB VAL A 39 -1.226 -1.388 2.650 1.00 44.13 C ATOM 574 CG1 VAL A 39 -2.579 -2.068 2.732 1.00 2.03 C ATOM 575 CG2 VAL A 39 -0.948 -0.965 1.234 1.00 24.00 C ATOM 0 H VAL A 39 -2.476 0.784 2.243 1.00 12.21 H new ATOM 0 HA VAL A 39 -1.551 -0.540 4.571 1.00 40.34 H new ATOM 0 HB VAL A 39 -0.438 -2.078 2.952 1.00 44.13 H new ATOM 0 HG11 VAL A 39 -2.594 -2.930 2.065 1.00 2.03 H new ATOM 0 HG12 VAL A 39 -2.759 -2.398 3.755 1.00 2.03 H new ATOM 0 HG13 VAL A 39 -3.358 -1.366 2.435 1.00 2.03 H new ATOM 0 HG21 VAL A 39 -0.952 -1.841 0.585 1.00 24.00 H new ATOM 0 HG22 VAL A 39 -1.717 -0.266 0.905 1.00 24.00 H new ATOM 0 HG23 VAL A 39 0.027 -0.481 1.184 1.00 24.00 H new ATOM 585 N TYR A 40 0.550 1.432 3.043 1.00 2.12 N ATOM 586 CA TYR A 40 1.885 2.064 3.266 1.00 54.23 C ATOM 587 C TYR A 40 2.114 2.497 4.715 1.00 72.13 C ATOM 588 O TYR A 40 3.149 2.141 5.296 1.00 34.15 O ATOM 589 CB TYR A 40 2.223 3.225 2.297 1.00 10.02 C ATOM 590 CG TYR A 40 2.698 2.781 0.928 1.00 30.54 C ATOM 591 CD1 TYR A 40 3.951 2.207 0.776 1.00 42.23 C ATOM 592 CD2 TYR A 40 1.918 2.942 -0.200 1.00 63.43 C ATOM 593 CE1 TYR A 40 4.405 1.799 -0.457 1.00 40.42 C ATOM 594 CE2 TYR A 40 2.362 2.534 -1.439 1.00 21.34 C ATOM 595 CZ TYR A 40 3.607 1.964 -1.561 1.00 33.52 C ATOM 596 OH TYR A 40 4.053 1.551 -2.790 1.00 75.15 O ATOM 0 H TYR A 40 -0.016 1.855 2.307 1.00 2.12 H new ATOM 0 HA TYR A 40 2.581 1.257 3.037 1.00 54.23 H new ATOM 0 HB2 TYR A 40 1.338 3.850 2.176 1.00 10.02 H new ATOM 0 HB3 TYR A 40 2.994 3.848 2.751 1.00 10.02 H new ATOM 0 HD1 TYR A 40 4.583 2.078 1.642 1.00 42.23 H new ATOM 0 HD2 TYR A 40 0.942 3.396 -0.110 1.00 63.43 H new ATOM 0 HE1 TYR A 40 5.383 1.352 -0.555 1.00 40.42 H new ATOM 0 HE2 TYR A 40 1.735 2.661 -2.309 1.00 21.34 H new ATOM 0 HH TYR A 40 3.906 2.263 -3.447 1.00 75.15 H new ATOM 870 N LEU A 58 -2.084 5.924 -10.240 1.00 34.53 N ATOM 871 CA LEU A 58 -2.966 5.216 -9.354 1.00 21.41 C ATOM 872 C LEU A 58 -3.594 4.112 -10.130 1.00 34.10 C ATOM 873 O LEU A 58 -4.587 4.325 -10.819 1.00 31.32 O ATOM 874 CB LEU A 58 -4.058 6.143 -8.789 1.00 63.52 C ATOM 875 CG LEU A 58 -3.587 7.303 -7.910 1.00 60.43 C ATOM 876 CD1 LEU A 58 -4.772 8.154 -7.476 1.00 75.52 C ATOM 877 CD2 LEU A 58 -2.846 6.775 -6.694 1.00 43.43 C ATOM 0 HA LEU A 58 -2.398 4.829 -8.508 1.00 21.41 H new ATOM 0 HB2 LEU A 58 -4.620 6.557 -9.626 1.00 63.52 H new ATOM 0 HB3 LEU A 58 -4.753 5.536 -8.208 1.00 63.52 H new ATOM 0 HG LEU A 58 -2.906 7.925 -8.491 1.00 60.43 H new ATOM 0 HD11 LEU A 58 -4.421 8.975 -6.851 1.00 75.52 H new ATOM 0 HD12 LEU A 58 -5.273 8.556 -8.357 1.00 75.52 H new ATOM 0 HD13 LEU A 58 -5.472 7.541 -6.909 1.00 75.52 H new ATOM 0 HD21 LEU A 58 -2.516 7.611 -6.077 1.00 43.43 H new ATOM 0 HD22 LEU A 58 -3.510 6.135 -6.113 1.00 43.43 H new ATOM 0 HD23 LEU A 58 -1.979 6.199 -7.018 1.00 43.43 H new ATOM 889 N ARG A 59 -2.969 2.972 -10.111 1.00 63.34 N ATOM 890 CA ARG A 59 -3.467 1.839 -10.817 1.00 43.35 C ATOM 891 C ARG A 59 -3.151 0.547 -10.116 1.00 60.15 C ATOM 892 O ARG A 59 -2.243 0.477 -9.279 1.00 22.03 O ATOM 893 CB ARG A 59 -3.066 1.863 -12.298 1.00 31.31 C ATOM 894 CG ARG A 59 -1.582 2.018 -12.575 1.00 25.12 C ATOM 895 CD ARG A 59 -1.336 2.211 -14.061 1.00 72.13 C ATOM 896 NE ARG A 59 0.089 2.353 -14.394 1.00 4.10 N ATOM 897 CZ ARG A 59 0.574 3.142 -15.374 1.00 64.34 C ATOM 898 NH1 ARG A 59 -0.242 3.941 -16.062 1.00 41.52 N ATOM 899 NH2 ARG A 59 1.873 3.135 -15.647 1.00 64.04 N ATOM 0 H ARG A 59 -2.100 2.806 -9.604 1.00 63.34 H new ATOM 0 HA ARG A 59 -4.555 1.903 -10.813 1.00 43.35 H new ATOM 0 HB2 ARG A 59 -3.409 0.939 -12.763 1.00 31.31 H new ATOM 0 HB3 ARG A 59 -3.595 2.682 -12.786 1.00 31.31 H new ATOM 0 HG2 ARG A 59 -1.190 2.871 -12.022 1.00 25.12 H new ATOM 0 HG3 ARG A 59 -1.046 1.136 -12.223 1.00 25.12 H new ATOM 0 HD2 ARG A 59 -1.748 1.361 -14.605 1.00 72.13 H new ATOM 0 HD3 ARG A 59 -1.873 3.097 -14.400 1.00 72.13 H new ATOM 0 HE ARG A 59 0.759 1.816 -13.844 1.00 4.10 H new ATOM 0 HH11 ARG A 59 -1.239 3.958 -15.848 1.00 41.52 H new ATOM 0 HH12 ARG A 59 0.131 4.536 -16.802 1.00 41.52 H new ATOM 0 HH21 ARG A 59 2.503 2.533 -15.116 1.00 64.04 H new ATOM 0 HH22 ARG A 59 2.242 3.731 -16.388 1.00 64.04 H new ATOM 913 N LEU A 60 -3.891 -0.465 -10.453 1.00 44.50 N ATOM 914 CA LEU A 60 -3.821 -1.713 -9.765 1.00 22.22 C ATOM 915 C LEU A 60 -3.611 -2.859 -10.722 1.00 41.11 C ATOM 916 O LEU A 60 -4.116 -2.843 -11.849 1.00 63.33 O ATOM 917 CB LEU A 60 -5.110 -1.874 -8.927 1.00 42.40 C ATOM 918 CG LEU A 60 -6.450 -1.797 -9.692 1.00 22.02 C ATOM 919 CD1 LEU A 60 -6.813 -3.100 -10.384 1.00 24.43 C ATOM 920 CD2 LEU A 60 -7.571 -1.309 -8.815 1.00 44.44 C ATOM 0 H LEU A 60 -4.564 -0.446 -11.219 1.00 44.50 H new ATOM 0 HA LEU A 60 -2.959 -1.725 -9.098 1.00 22.22 H new ATOM 0 HB2 LEU A 60 -5.065 -2.835 -8.415 1.00 42.40 H new ATOM 0 HB3 LEU A 60 -5.113 -1.103 -8.157 1.00 42.40 H new ATOM 0 HG LEU A 60 -6.302 -1.059 -10.480 1.00 22.02 H new ATOM 0 HD11 LEU A 60 -7.764 -2.983 -10.904 1.00 24.43 H new ATOM 0 HD12 LEU A 60 -6.036 -3.359 -11.103 1.00 24.43 H new ATOM 0 HD13 LEU A 60 -6.900 -3.894 -9.642 1.00 24.43 H new ATOM 0 HD21 LEU A 60 -8.494 -1.270 -9.393 1.00 44.44 H new ATOM 0 HD22 LEU A 60 -7.698 -1.990 -7.974 1.00 44.44 H new ATOM 0 HD23 LEU A 60 -7.334 -0.313 -8.442 1.00 44.44 H new ATOM 932 N ILE A 61 -2.863 -3.829 -10.287 1.00 2.33 N ATOM 933 CA ILE A 61 -2.607 -5.006 -11.057 1.00 72.21 C ATOM 934 C ILE A 61 -3.267 -6.194 -10.372 1.00 35.34 C ATOM 935 O ILE A 61 -2.936 -6.536 -9.225 1.00 15.15 O ATOM 936 CB ILE A 61 -1.086 -5.258 -11.166 1.00 63.31 C ATOM 937 CG1 ILE A 61 -0.414 -4.071 -11.843 1.00 61.14 C ATOM 938 CG2 ILE A 61 -0.796 -6.549 -11.935 1.00 51.40 C ATOM 939 CD1 ILE A 61 1.099 -4.134 -11.865 1.00 50.23 C ATOM 0 H ILE A 61 -2.408 -3.823 -9.374 1.00 2.33 H new ATOM 0 HA ILE A 61 -3.013 -4.875 -12.060 1.00 72.21 H new ATOM 0 HB ILE A 61 -0.681 -5.372 -10.161 1.00 63.31 H new ATOM 0 HG12 ILE A 61 -0.777 -4.000 -12.868 1.00 61.14 H new ATOM 0 HG13 ILE A 61 -0.720 -3.157 -11.333 1.00 61.14 H new ATOM 0 HG21 ILE A 61 0.282 -6.702 -11.997 1.00 51.40 H new ATOM 0 HG22 ILE A 61 -1.253 -7.392 -11.416 1.00 51.40 H new ATOM 0 HG23 ILE A 61 -1.210 -6.474 -12.941 1.00 51.40 H new ATOM 0 HD11 ILE A 61 1.493 -3.249 -12.366 1.00 50.23 H new ATOM 0 HD12 ILE A 61 1.477 -4.171 -10.843 1.00 50.23 H new ATOM 0 HD13 ILE A 61 1.418 -5.027 -12.402 1.00 50.23 H new ATOM 951 N TYR A 62 -4.182 -6.818 -11.055 1.00 62.50 N ATOM 952 CA TYR A 62 -4.876 -7.966 -10.520 1.00 40.24 C ATOM 953 C TYR A 62 -4.360 -9.211 -11.170 1.00 30.24 C ATOM 954 O TYR A 62 -4.985 -9.741 -12.093 1.00 23.02 O ATOM 955 CB TYR A 62 -6.415 -7.820 -10.655 1.00 35.32 C ATOM 956 CG TYR A 62 -7.264 -9.022 -10.207 1.00 44.31 C ATOM 957 CD1 TYR A 62 -7.144 -9.560 -8.934 1.00 34.04 C ATOM 958 CD2 TYR A 62 -8.198 -9.599 -11.075 1.00 2.22 C ATOM 959 CE1 TYR A 62 -7.917 -10.638 -8.536 1.00 11.31 C ATOM 960 CE2 TYR A 62 -8.979 -10.672 -10.681 1.00 31.35 C ATOM 961 CZ TYR A 62 -8.832 -11.186 -9.412 1.00 63.21 C ATOM 962 OH TYR A 62 -9.583 -12.275 -9.028 1.00 12.33 O ATOM 0 H TYR A 62 -4.472 -6.551 -11.996 1.00 62.50 H new ATOM 0 HA TYR A 62 -4.677 -8.034 -9.451 1.00 40.24 H new ATOM 0 HB2 TYR A 62 -6.726 -6.949 -10.078 1.00 35.32 H new ATOM 0 HB3 TYR A 62 -6.647 -7.610 -11.699 1.00 35.32 H new ATOM 0 HD1 TYR A 62 -6.435 -9.131 -8.241 1.00 34.04 H new ATOM 0 HD2 TYR A 62 -8.312 -9.199 -12.072 1.00 2.22 H new ATOM 0 HE1 TYR A 62 -7.804 -11.048 -7.543 1.00 11.31 H new ATOM 0 HE2 TYR A 62 -9.697 -11.102 -11.363 1.00 31.35 H new ATOM 0 HH TYR A 62 -10.179 -12.536 -9.761 1.00 12.33 H new ATOM 972 N GLN A 63 -3.144 -9.601 -10.744 1.00 45.30 N ATOM 973 CA GLN A 63 -2.460 -10.797 -11.220 1.00 62.11 C ATOM 974 C GLN A 63 -2.554 -10.986 -12.720 1.00 54.24 C ATOM 975 O GLN A 63 -3.412 -11.727 -13.232 1.00 11.45 O ATOM 976 CB GLN A 63 -2.868 -12.023 -10.421 1.00 41.50 C ATOM 977 CG GLN A 63 -2.261 -12.060 -9.031 1.00 63.51 C ATOM 978 CD GLN A 63 -0.784 -12.425 -9.039 1.00 12.11 C ATOM 979 OE1 GLN A 63 -0.035 -12.009 -8.182 1.00 43.22 O ATOM 980 NE2 GLN A 63 -0.362 -13.215 -10.000 1.00 44.43 N ATOM 0 H GLN A 63 -2.609 -9.080 -10.049 1.00 45.30 H new ATOM 0 HA GLN A 63 -1.396 -10.649 -11.037 1.00 62.11 H new ATOM 0 HB2 GLN A 63 -3.954 -12.049 -10.337 1.00 41.50 H new ATOM 0 HB3 GLN A 63 -2.569 -12.919 -10.965 1.00 41.50 H new ATOM 0 HG2 GLN A 63 -2.387 -11.085 -8.559 1.00 63.51 H new ATOM 0 HG3 GLN A 63 -2.805 -12.782 -8.422 1.00 63.51 H new ATOM 0 HE21 GLN A 63 -1.015 -13.550 -10.708 1.00 44.43 H new ATOM 0 HE22 GLN A 63 0.619 -13.493 -10.038 1.00 44.43 H new ATOM 989 N GLY A 64 -1.721 -10.269 -13.415 1.00 40.01 N ATOM 990 CA GLY A 64 -1.742 -10.296 -14.834 1.00 23.12 C ATOM 991 C GLY A 64 -1.681 -8.912 -15.415 1.00 41.24 C ATOM 992 O GLY A 64 -0.646 -8.501 -15.934 1.00 20.32 O ATOM 0 H GLY A 64 -1.015 -9.655 -13.010 1.00 40.01 H new ATOM 0 HA2 GLY A 64 -0.899 -10.882 -15.200 1.00 23.12 H new ATOM 0 HA3 GLY A 64 -2.649 -10.795 -15.176 1.00 23.12 H new ATOM 996 N ARG A 65 -2.763 -8.169 -15.295 1.00 15.04 N ATOM 997 CA ARG A 65 -2.838 -6.853 -15.918 1.00 64.05 C ATOM 998 C ARG A 65 -3.318 -5.782 -14.952 1.00 42.14 C ATOM 999 O ARG A 65 -3.734 -6.076 -13.820 1.00 70.13 O ATOM 1000 CB ARG A 65 -3.810 -6.871 -17.099 1.00 64.40 C ATOM 1001 CG ARG A 65 -5.243 -7.207 -16.700 1.00 53.03 C ATOM 1002 CD ARG A 65 -6.218 -6.933 -17.826 1.00 33.54 C ATOM 1003 NE ARG A 65 -6.246 -5.501 -18.186 1.00 20.41 N ATOM 1004 CZ ARG A 65 -6.930 -4.983 -19.210 1.00 70.22 C ATOM 1005 NH1 ARG A 65 -7.659 -5.765 -19.989 1.00 32.00 N ATOM 1006 NH2 ARG A 65 -6.889 -3.679 -19.438 1.00 20.33 N ATOM 0 H ARG A 65 -3.598 -8.446 -14.778 1.00 15.04 H new ATOM 0 HA ARG A 65 -1.825 -6.617 -16.245 1.00 64.05 H new ATOM 0 HB2 ARG A 65 -3.796 -5.896 -17.586 1.00 64.40 H new ATOM 0 HB3 ARG A 65 -3.465 -7.599 -17.833 1.00 64.40 H new ATOM 0 HG2 ARG A 65 -5.304 -8.257 -16.413 1.00 53.03 H new ATOM 0 HG3 ARG A 65 -5.524 -6.621 -15.825 1.00 53.03 H new ATOM 0 HD2 ARG A 65 -5.940 -7.523 -18.700 1.00 33.54 H new ATOM 0 HD3 ARG A 65 -7.217 -7.254 -17.529 1.00 33.54 H new ATOM 0 HE ARG A 65 -5.702 -4.859 -17.609 1.00 20.41 H new ATOM 0 HH11 ARG A 65 -7.701 -6.768 -19.809 1.00 32.00 H new ATOM 0 HH12 ARG A 65 -8.180 -5.365 -20.770 1.00 32.00 H new ATOM 0 HH21 ARG A 65 -6.336 -3.073 -18.832 1.00 20.33 H new ATOM 0 HH22 ARG A 65 -7.410 -3.281 -20.219 1.00 20.33 H new ATOM 1020 N PHE A 66 -3.294 -4.546 -15.433 1.00 63.30 N ATOM 1021 CA PHE A 66 -3.850 -3.417 -14.727 1.00 23.25 C ATOM 1022 C PHE A 66 -5.319 -3.353 -15.132 1.00 1.42 C ATOM 1023 O PHE A 66 -5.624 -3.188 -16.328 1.00 14.15 O ATOM 1024 CB PHE A 66 -3.179 -2.104 -15.165 1.00 63.20 C ATOM 1025 CG PHE A 66 -1.676 -2.011 -15.016 1.00 64.34 C ATOM 1026 CD1 PHE A 66 -0.837 -2.498 -16.008 1.00 71.43 C ATOM 1027 CD2 PHE A 66 -1.104 -1.408 -13.907 1.00 62.05 C ATOM 1028 CE1 PHE A 66 0.533 -2.390 -15.897 1.00 60.45 C ATOM 1029 CE2 PHE A 66 0.269 -1.300 -13.792 1.00 64.55 C ATOM 1030 CZ PHE A 66 1.087 -1.790 -14.787 1.00 4.31 C ATOM 0 H PHE A 66 -2.882 -4.305 -16.334 1.00 63.30 H new ATOM 0 HA PHE A 66 -3.704 -3.534 -13.653 1.00 23.25 H new ATOM 0 HB2 PHE A 66 -3.426 -1.932 -16.213 1.00 63.20 H new ATOM 0 HB3 PHE A 66 -3.626 -1.290 -14.594 1.00 63.20 H new ATOM 0 HD1 PHE A 66 -1.264 -2.969 -16.881 1.00 71.43 H new ATOM 0 HD2 PHE A 66 -1.738 -1.018 -13.124 1.00 62.05 H new ATOM 0 HE1 PHE A 66 1.171 -2.775 -16.679 1.00 60.45 H new ATOM 0 HE2 PHE A 66 0.702 -0.831 -12.921 1.00 64.55 H new ATOM 0 HZ PHE A 66 2.160 -1.704 -14.697 1.00 4.31 H new ATOM 1040 N LEU A 67 -6.221 -3.515 -14.192 1.00 43.21 N ATOM 1041 CA LEU A 67 -7.649 -3.545 -14.548 1.00 61.44 C ATOM 1042 C LEU A 67 -8.216 -2.160 -14.757 1.00 23.42 C ATOM 1043 O LEU A 67 -8.875 -1.897 -15.755 1.00 11.35 O ATOM 1044 CB LEU A 67 -8.477 -4.254 -13.487 1.00 14.31 C ATOM 1045 CG LEU A 67 -8.114 -5.693 -13.169 1.00 22.34 C ATOM 1046 CD1 LEU A 67 -9.057 -6.221 -12.119 1.00 31.51 C ATOM 1047 CD2 LEU A 67 -8.172 -6.560 -14.412 1.00 63.12 C ATOM 0 H LEU A 67 -6.016 -3.626 -13.199 1.00 43.21 H new ATOM 0 HA LEU A 67 -7.708 -4.097 -15.486 1.00 61.44 H new ATOM 0 HB2 LEU A 67 -8.409 -3.677 -12.565 1.00 14.31 H new ATOM 0 HB3 LEU A 67 -9.520 -4.231 -13.802 1.00 14.31 H new ATOM 0 HG LEU A 67 -7.091 -5.722 -12.793 1.00 22.34 H new ATOM 0 HD11 LEU A 67 -8.801 -7.255 -11.887 1.00 31.51 H new ATOM 0 HD12 LEU A 67 -8.973 -5.615 -11.217 1.00 31.51 H new ATOM 0 HD13 LEU A 67 -10.080 -6.176 -12.493 1.00 31.51 H new ATOM 0 HD21 LEU A 67 -7.907 -7.585 -14.153 1.00 63.12 H new ATOM 0 HD22 LEU A 67 -9.181 -6.539 -14.824 1.00 63.12 H new ATOM 0 HD23 LEU A 67 -7.470 -6.180 -15.154 1.00 63.12 H new ATOM 1059 N HIS A 68 -7.935 -1.277 -13.821 1.00 21.20 N ATOM 1060 CA HIS A 68 -8.449 0.078 -13.837 1.00 1.14 C ATOM 1061 C HIS A 68 -7.761 0.818 -12.712 1.00 41.13 C ATOM 1062 O HIS A 68 -7.284 0.196 -11.774 1.00 61.34 O ATOM 1063 CB HIS A 68 -9.986 0.061 -13.619 1.00 33.30 C ATOM 1064 CG HIS A 68 -10.703 1.369 -13.892 1.00 34.34 C ATOM 1065 ND1 HIS A 68 -11.471 1.583 -15.011 1.00 72.43 N ATOM 1066 CD2 HIS A 68 -10.790 2.507 -13.170 1.00 34.52 C ATOM 1067 CE1 HIS A 68 -11.998 2.789 -14.963 1.00 11.55 C ATOM 1068 NE2 HIS A 68 -11.599 3.368 -13.856 1.00 55.34 N ATOM 0 H HIS A 68 -7.338 -1.481 -13.020 1.00 21.20 H new ATOM 0 HA HIS A 68 -8.256 0.565 -14.793 1.00 1.14 H new ATOM 0 HB2 HIS A 68 -10.417 -0.709 -14.259 1.00 33.30 H new ATOM 0 HB3 HIS A 68 -10.185 -0.233 -12.589 1.00 33.30 H new ATOM 0 HD2 HIS A 68 -10.308 2.701 -12.223 1.00 34.52 H new ATOM 0 HE1 HIS A 68 -12.647 3.226 -15.707 1.00 11.55 H new ATOM 0 HE2 HIS A 68 -11.852 4.309 -13.556 1.00 55.34 H new ATOM 1077 N GLY A 69 -7.722 2.110 -12.799 1.00 51.32 N ATOM 1078 CA GLY A 69 -7.037 2.933 -11.828 1.00 20.34 C ATOM 1079 C GLY A 69 -7.655 3.017 -10.418 1.00 20.44 C ATOM 1080 O GLY A 69 -7.081 3.664 -9.551 1.00 34.53 O ATOM 0 H GLY A 69 -8.166 2.638 -13.550 1.00 51.32 H new ATOM 0 HA2 GLY A 69 -6.017 2.561 -11.729 1.00 20.34 H new ATOM 0 HA3 GLY A 69 -6.970 3.944 -12.229 1.00 20.34 H new ATOM 1084 N ASN A 70 -8.780 2.352 -10.160 1.00 2.14 N ATOM 1085 CA ASN A 70 -9.490 2.567 -8.884 1.00 62.34 C ATOM 1086 C ASN A 70 -10.685 1.606 -8.798 1.00 2.45 C ATOM 1087 O ASN A 70 -11.687 1.893 -8.165 1.00 4.11 O ATOM 1088 CB ASN A 70 -9.973 4.057 -8.822 1.00 22.21 C ATOM 1089 CG ASN A 70 -10.465 4.522 -7.441 1.00 23.41 C ATOM 1090 OD1 ASN A 70 -11.648 4.424 -7.109 1.00 0.32 O ATOM 1091 ND2 ASN A 70 -9.567 5.059 -6.653 1.00 24.52 N ATOM 0 H ASN A 70 -9.215 1.678 -10.790 1.00 2.14 H new ATOM 0 HA ASN A 70 -8.827 2.371 -8.041 1.00 62.34 H new ATOM 0 HB2 ASN A 70 -9.153 4.703 -9.136 1.00 22.21 H new ATOM 0 HB3 ASN A 70 -10.779 4.193 -9.543 1.00 22.21 H new ATOM 0 HD21 ASN A 70 -9.839 5.411 -5.735 1.00 24.52 H new ATOM 0 HD22 ASN A 70 -8.596 5.125 -6.957 1.00 24.52 H new ATOM 1098 N VAL A 71 -10.552 0.431 -9.394 1.00 45.31 N ATOM 1099 CA VAL A 71 -11.654 -0.513 -9.368 1.00 22.01 C ATOM 1100 C VAL A 71 -11.685 -1.213 -8.005 1.00 71.24 C ATOM 1101 O VAL A 71 -10.629 -1.522 -7.430 1.00 75.54 O ATOM 1102 CB VAL A 71 -11.643 -1.527 -10.576 1.00 62.41 C ATOM 1103 CG1 VAL A 71 -10.414 -2.389 -10.614 1.00 11.33 C ATOM 1104 CG2 VAL A 71 -12.878 -2.388 -10.597 1.00 1.15 C ATOM 0 H VAL A 71 -9.717 0.116 -9.888 1.00 45.31 H new ATOM 0 HA VAL A 71 -12.581 0.045 -9.499 1.00 22.01 H new ATOM 0 HB VAL A 71 -11.632 -0.907 -11.472 1.00 62.41 H new ATOM 0 HG11 VAL A 71 -10.469 -3.064 -11.468 1.00 11.33 H new ATOM 0 HG12 VAL A 71 -9.530 -1.758 -10.706 1.00 11.33 H new ATOM 0 HG13 VAL A 71 -10.350 -2.972 -9.695 1.00 11.33 H new ATOM 0 HG21 VAL A 71 -12.830 -3.072 -11.444 1.00 1.15 H new ATOM 0 HG22 VAL A 71 -12.938 -2.961 -9.671 1.00 1.15 H new ATOM 0 HG23 VAL A 71 -13.761 -1.756 -10.690 1.00 1.15 H new ATOM 1114 N THR A 72 -12.866 -1.393 -7.472 1.00 41.31 N ATOM 1115 CA THR A 72 -13.027 -1.951 -6.161 1.00 34.12 C ATOM 1116 C THR A 72 -12.891 -3.464 -6.165 1.00 62.30 C ATOM 1117 O THR A 72 -13.095 -4.119 -7.193 1.00 21.34 O ATOM 1118 CB THR A 72 -14.386 -1.537 -5.565 1.00 23.23 C ATOM 1119 OG1 THR A 72 -15.442 -1.920 -6.462 1.00 24.13 O ATOM 1120 CG2 THR A 72 -14.439 -0.033 -5.349 1.00 21.33 C ATOM 0 H THR A 72 -13.742 -1.156 -7.938 1.00 41.31 H new ATOM 0 HA THR A 72 -12.227 -1.553 -5.537 1.00 34.12 H new ATOM 0 HB THR A 72 -14.510 -2.039 -4.605 1.00 23.23 H new ATOM 0 HG1 THR A 72 -16.306 -1.658 -6.081 1.00 24.13 H new ATOM 0 HG21 THR A 72 -15.406 0.240 -4.928 1.00 21.33 H new ATOM 0 HG22 THR A 72 -13.647 0.264 -4.662 1.00 21.33 H new ATOM 0 HG23 THR A 72 -14.302 0.477 -6.303 1.00 21.33 H new ATOM 1128 N LEU A 73 -12.565 -4.010 -5.010 1.00 11.31 N ATOM 1129 CA LEU A 73 -12.381 -5.439 -4.828 1.00 31.01 C ATOM 1130 C LEU A 73 -13.668 -6.214 -5.132 1.00 32.45 C ATOM 1131 O LEU A 73 -13.627 -7.322 -5.661 1.00 62.05 O ATOM 1132 CB LEU A 73 -11.902 -5.731 -3.399 1.00 12.20 C ATOM 1133 CG LEU A 73 -10.464 -5.291 -3.018 1.00 11.12 C ATOM 1134 CD1 LEU A 73 -9.441 -5.971 -3.878 1.00 41.41 C ATOM 1135 CD2 LEU A 73 -10.277 -3.786 -3.049 1.00 72.13 C ATOM 0 H LEU A 73 -12.418 -3.467 -4.159 1.00 11.31 H new ATOM 0 HA LEU A 73 -11.621 -5.774 -5.534 1.00 31.01 H new ATOM 0 HB2 LEU A 73 -12.594 -5.250 -2.708 1.00 12.20 H new ATOM 0 HB3 LEU A 73 -11.980 -6.805 -3.232 1.00 12.20 H new ATOM 0 HG LEU A 73 -10.315 -5.605 -1.985 1.00 11.12 H new ATOM 0 HD11 LEU A 73 -8.444 -5.642 -3.586 1.00 41.41 H new ATOM 0 HD12 LEU A 73 -9.518 -7.051 -3.751 1.00 41.41 H new ATOM 0 HD13 LEU A 73 -9.616 -5.715 -4.923 1.00 41.41 H new ATOM 0 HD21 LEU A 73 -9.251 -3.541 -2.773 1.00 72.13 H new ATOM 0 HD22 LEU A 73 -10.481 -3.415 -4.053 1.00 72.13 H new ATOM 0 HD23 LEU A 73 -10.964 -3.319 -2.343 1.00 72.13 H new ATOM 1147 N GLY A 74 -14.813 -5.610 -4.818 1.00 62.40 N ATOM 1148 CA GLY A 74 -16.096 -6.238 -5.105 1.00 44.20 C ATOM 1149 C GLY A 74 -16.335 -6.383 -6.600 1.00 5.23 C ATOM 1150 O GLY A 74 -16.989 -7.327 -7.056 1.00 63.32 O ATOM 0 H GLY A 74 -14.876 -4.696 -4.370 1.00 62.40 H new ATOM 0 HA2 GLY A 74 -16.132 -7.221 -4.635 1.00 44.20 H new ATOM 0 HA3 GLY A 74 -16.897 -5.644 -4.665 1.00 44.20 H new ATOM 1154 N ALA A 75 -15.774 -5.465 -7.365 1.00 34.11 N ATOM 1155 CA ALA A 75 -15.902 -5.460 -8.810 1.00 35.04 C ATOM 1156 C ALA A 75 -14.971 -6.500 -9.427 1.00 4.03 C ATOM 1157 O ALA A 75 -15.114 -6.880 -10.592 1.00 61.10 O ATOM 1158 CB ALA A 75 -15.597 -4.081 -9.355 1.00 42.43 C ATOM 0 H ALA A 75 -15.213 -4.696 -6.998 1.00 34.11 H new ATOM 0 HA ALA A 75 -16.928 -5.718 -9.074 1.00 35.04 H new ATOM 0 HB1 ALA A 75 -15.696 -4.089 -10.440 1.00 42.43 H new ATOM 0 HB2 ALA A 75 -16.296 -3.360 -8.932 1.00 42.43 H new ATOM 0 HB3 ALA A 75 -14.579 -3.800 -9.086 1.00 42.43 H new ATOM 1164 N LEU A 76 -14.019 -6.964 -8.634 1.00 33.42 N ATOM 1165 CA LEU A 76 -13.044 -7.940 -9.080 1.00 71.41 C ATOM 1166 C LEU A 76 -13.602 -9.360 -8.986 1.00 40.44 C ATOM 1167 O LEU A 76 -12.857 -10.331 -9.107 1.00 51.13 O ATOM 1168 CB LEU A 76 -11.801 -7.849 -8.227 1.00 44.45 C ATOM 1169 CG LEU A 76 -11.151 -6.489 -8.098 1.00 51.12 C ATOM 1170 CD1 LEU A 76 -9.914 -6.602 -7.297 1.00 31.24 C ATOM 1171 CD2 LEU A 76 -10.853 -5.891 -9.429 1.00 74.14 C ATOM 0 H LEU A 76 -13.902 -6.673 -7.663 1.00 33.42 H new ATOM 0 HA LEU A 76 -12.805 -7.722 -10.121 1.00 71.41 H new ATOM 0 HB2 LEU A 76 -12.051 -8.200 -7.226 1.00 44.45 H new ATOM 0 HB3 LEU A 76 -11.062 -8.540 -8.632 1.00 44.45 H new ATOM 0 HG LEU A 76 -11.853 -5.826 -7.593 1.00 51.12 H new ATOM 0 HD11 LEU A 76 -9.448 -5.621 -7.206 1.00 31.24 H new ATOM 0 HD12 LEU A 76 -10.157 -6.982 -6.305 1.00 31.24 H new ATOM 0 HD13 LEU A 76 -9.223 -7.287 -7.789 1.00 31.24 H new ATOM 0 HD21 LEU A 76 -10.387 -4.915 -9.293 1.00 74.14 H new ATOM 0 HD22 LEU A 76 -10.174 -6.544 -9.978 1.00 74.14 H new ATOM 0 HD23 LEU A 76 -11.779 -5.776 -9.992 1.00 74.14 H new ATOM 1183 N LYS A 77 -14.932 -9.467 -8.784 1.00 73.42 N ATOM 1184 CA LYS A 77 -15.666 -10.761 -8.707 1.00 31.04 C ATOM 1185 C LYS A 77 -15.304 -11.526 -7.428 1.00 10.24 C ATOM 1186 O LYS A 77 -15.658 -12.691 -7.270 1.00 33.42 O ATOM 1187 CB LYS A 77 -15.417 -11.686 -9.965 1.00 31.44 C ATOM 1188 CG LYS A 77 -15.839 -11.129 -11.349 1.00 13.13 C ATOM 1189 CD LYS A 77 -14.976 -9.954 -11.793 1.00 45.43 C ATOM 1190 CE LYS A 77 -15.396 -9.406 -13.136 1.00 43.04 C ATOM 1191 NZ LYS A 77 -14.597 -8.217 -13.506 1.00 24.02 N ATOM 0 H LYS A 77 -15.538 -8.654 -8.668 1.00 73.42 H new ATOM 0 HA LYS A 77 -16.725 -10.504 -8.691 1.00 31.04 H new ATOM 0 HB2 LYS A 77 -14.354 -11.922 -10.006 1.00 31.44 H new ATOM 0 HB3 LYS A 77 -15.946 -12.625 -9.803 1.00 31.44 H new ATOM 0 HG2 LYS A 77 -15.775 -11.924 -12.092 1.00 13.13 H new ATOM 0 HG3 LYS A 77 -16.882 -10.815 -11.308 1.00 13.13 H new ATOM 0 HD2 LYS A 77 -15.034 -9.162 -11.046 1.00 45.43 H new ATOM 0 HD3 LYS A 77 -13.934 -10.270 -11.842 1.00 45.43 H new ATOM 0 HE2 LYS A 77 -15.279 -10.177 -13.898 1.00 43.04 H new ATOM 0 HE3 LYS A 77 -16.453 -9.142 -13.109 1.00 43.04 H new ATOM 0 HZ1 LYS A 77 -15.035 -7.745 -14.323 1.00 24.02 H new ATOM 0 HZ2 LYS A 77 -14.563 -7.558 -12.702 1.00 24.02 H new ATOM 0 HZ3 LYS A 77 -13.631 -8.511 -13.753 1.00 24.02 H new ATOM 1205 N LEU A 78 -14.646 -10.847 -6.514 1.00 11.22 N ATOM 1206 CA LEU A 78 -14.143 -11.452 -5.292 1.00 45.04 C ATOM 1207 C LEU A 78 -15.239 -11.699 -4.278 1.00 45.11 C ATOM 1208 O LEU A 78 -15.945 -10.765 -3.878 1.00 1.42 O ATOM 1209 CB LEU A 78 -13.075 -10.557 -4.674 1.00 72.53 C ATOM 1210 CG LEU A 78 -11.857 -10.294 -5.536 1.00 74.12 C ATOM 1211 CD1 LEU A 78 -10.937 -9.312 -4.848 1.00 31.42 C ATOM 1212 CD2 LEU A 78 -11.122 -11.592 -5.836 1.00 0.54 C ATOM 0 H LEU A 78 -14.441 -9.851 -6.595 1.00 11.22 H new ATOM 0 HA LEU A 78 -13.718 -12.419 -5.562 1.00 45.04 H new ATOM 0 HB2 LEU A 78 -13.531 -9.600 -4.421 1.00 72.53 H new ATOM 0 HB3 LEU A 78 -12.745 -11.010 -3.739 1.00 72.53 H new ATOM 0 HG LEU A 78 -12.186 -9.863 -6.482 1.00 74.12 H new ATOM 0 HD11 LEU A 78 -10.065 -9.130 -5.476 1.00 31.42 H new ATOM 0 HD12 LEU A 78 -11.466 -8.374 -4.680 1.00 31.42 H new ATOM 0 HD13 LEU A 78 -10.616 -9.723 -3.891 1.00 31.42 H new ATOM 0 HD21 LEU A 78 -10.251 -11.382 -6.456 1.00 0.54 H new ATOM 0 HD22 LEU A 78 -10.800 -12.052 -4.902 1.00 0.54 H new ATOM 0 HD23 LEU A 78 -11.788 -12.273 -6.365 1.00 0.54 H new ATOM 1224 N PRO A 79 -15.416 -12.956 -3.862 1.00 42.05 N ATOM 1225 CA PRO A 79 -16.347 -13.292 -2.813 1.00 42.24 C ATOM 1226 C PRO A 79 -15.764 -12.895 -1.459 1.00 25.10 C ATOM 1227 O PRO A 79 -14.536 -12.745 -1.310 1.00 10.30 O ATOM 1228 CB PRO A 79 -16.503 -14.807 -2.924 1.00 51.43 C ATOM 1229 CG PRO A 79 -15.254 -15.284 -3.574 1.00 23.23 C ATOM 1230 CD PRO A 79 -14.720 -14.142 -4.397 1.00 34.10 C ATOM 0 HA PRO A 79 -17.303 -12.776 -2.903 1.00 42.24 H new ATOM 0 HB2 PRO A 79 -16.634 -15.262 -1.942 1.00 51.43 H new ATOM 0 HB3 PRO A 79 -17.380 -15.070 -3.516 1.00 51.43 H new ATOM 0 HG2 PRO A 79 -14.524 -15.594 -2.826 1.00 23.23 H new ATOM 0 HG3 PRO A 79 -15.454 -16.152 -4.203 1.00 23.23 H new ATOM 0 HD2 PRO A 79 -13.639 -14.049 -4.296 1.00 34.10 H new ATOM 0 HD3 PRO A 79 -14.930 -14.283 -5.457 1.00 34.10 H new ATOM 1238 N PHE A 80 -16.609 -12.738 -0.485 1.00 44.23 N ATOM 1239 CA PHE A 80 -16.176 -12.257 0.798 1.00 30.35 C ATOM 1240 C PHE A 80 -15.573 -13.407 1.580 1.00 33.44 C ATOM 1241 O PHE A 80 -15.936 -14.565 1.369 1.00 34.53 O ATOM 1242 CB PHE A 80 -17.360 -11.679 1.563 1.00 44.24 C ATOM 1243 CG PHE A 80 -18.268 -10.831 0.730 1.00 33.32 C ATOM 1244 CD1 PHE A 80 -17.803 -9.721 0.052 1.00 31.55 C ATOM 1245 CD2 PHE A 80 -19.598 -11.166 0.622 1.00 11.12 C ATOM 1246 CE1 PHE A 80 -18.653 -8.964 -0.728 1.00 63.54 C ATOM 1247 CE2 PHE A 80 -20.457 -10.416 -0.150 1.00 1.10 C ATOM 1248 CZ PHE A 80 -19.982 -9.312 -0.829 1.00 24.34 C ATOM 0 H PHE A 80 -17.607 -12.936 -0.552 1.00 44.23 H new ATOM 0 HA PHE A 80 -15.430 -11.474 0.661 1.00 30.35 H new ATOM 0 HB2 PHE A 80 -17.937 -12.498 1.992 1.00 44.24 H new ATOM 0 HB3 PHE A 80 -16.986 -11.083 2.395 1.00 44.24 H new ATOM 0 HD1 PHE A 80 -16.763 -9.443 0.133 1.00 31.55 H new ATOM 0 HD2 PHE A 80 -19.974 -12.030 1.150 1.00 11.12 H new ATOM 0 HE1 PHE A 80 -18.277 -8.101 -1.258 1.00 63.54 H new ATOM 0 HE2 PHE A 80 -21.499 -10.691 -0.224 1.00 1.10 H new ATOM 0 HZ PHE A 80 -20.651 -8.722 -1.438 1.00 24.34 H new ATOM 1258 N GLY A 81 -14.653 -13.104 2.456 1.00 11.42 N ATOM 1259 CA GLY A 81 -14.023 -14.139 3.247 1.00 2.24 C ATOM 1260 C GLY A 81 -12.855 -14.805 2.551 1.00 35.02 C ATOM 1261 O GLY A 81 -12.274 -15.754 3.082 1.00 64.32 O ATOM 0 H GLY A 81 -14.322 -12.158 2.643 1.00 11.42 H new ATOM 0 HA2 GLY A 81 -13.678 -13.708 4.187 1.00 2.24 H new ATOM 0 HA3 GLY A 81 -14.766 -14.896 3.498 1.00 2.24 H new ATOM 1265 N LYS A 82 -12.507 -14.326 1.382 1.00 34.02 N ATOM 1266 CA LYS A 82 -11.402 -14.898 0.635 1.00 11.10 C ATOM 1267 C LYS A 82 -10.223 -13.944 0.588 1.00 72.11 C ATOM 1268 O LYS A 82 -10.398 -12.717 0.628 1.00 13.42 O ATOM 1269 CB LYS A 82 -11.836 -15.285 -0.784 1.00 63.32 C ATOM 1270 CG LYS A 82 -12.914 -16.364 -0.842 1.00 20.53 C ATOM 1271 CD LYS A 82 -12.438 -17.675 -0.231 1.00 13.13 C ATOM 1272 CE LYS A 82 -13.526 -18.736 -0.290 1.00 60.54 C ATOM 1273 NZ LYS A 82 -13.052 -20.035 0.223 1.00 23.14 N ATOM 0 H LYS A 82 -12.970 -13.541 0.923 1.00 34.02 H new ATOM 0 HA LYS A 82 -11.088 -15.804 1.154 1.00 11.10 H new ATOM 0 HB2 LYS A 82 -12.203 -14.394 -1.294 1.00 63.32 H new ATOM 0 HB3 LYS A 82 -10.962 -15.631 -1.336 1.00 63.32 H new ATOM 0 HG2 LYS A 82 -13.802 -16.018 -0.313 1.00 20.53 H new ATOM 0 HG3 LYS A 82 -13.205 -16.531 -1.879 1.00 20.53 H new ATOM 0 HD2 LYS A 82 -11.554 -18.027 -0.762 1.00 13.13 H new ATOM 0 HD3 LYS A 82 -12.143 -17.510 0.805 1.00 13.13 H new ATOM 0 HE2 LYS A 82 -14.387 -18.407 0.293 1.00 60.54 H new ATOM 0 HE3 LYS A 82 -13.864 -18.853 -1.320 1.00 60.54 H new ATOM 0 HZ1 LYS A 82 -13.822 -20.732 0.167 1.00 23.14 H new ATOM 0 HZ2 LYS A 82 -12.247 -20.361 -0.349 1.00 23.14 H new ATOM 0 HZ3 LYS A 82 -12.753 -19.929 1.213 1.00 23.14 H new ATOM 1287 N THR A 83 -9.037 -14.509 0.530 1.00 24.21 N ATOM 1288 CA THR A 83 -7.822 -13.753 0.445 1.00 41.32 C ATOM 1289 C THR A 83 -7.443 -13.528 -0.998 1.00 53.41 C ATOM 1290 O THR A 83 -7.311 -14.479 -1.782 1.00 20.14 O ATOM 1291 CB THR A 83 -6.666 -14.455 1.183 1.00 3.45 C ATOM 1292 OG1 THR A 83 -6.988 -14.571 2.571 1.00 60.34 O ATOM 1293 CG2 THR A 83 -5.359 -13.686 1.021 1.00 73.43 C ATOM 0 H THR A 83 -8.895 -15.519 0.541 1.00 24.21 H new ATOM 0 HA THR A 83 -7.999 -12.792 0.927 1.00 41.32 H new ATOM 0 HB THR A 83 -6.532 -15.446 0.748 1.00 3.45 H new ATOM 0 HG1 THR A 83 -6.786 -13.727 3.025 1.00 60.34 H new ATOM 0 HG21 THR A 83 -4.562 -14.206 1.553 1.00 73.43 H new ATOM 0 HG22 THR A 83 -5.105 -13.619 -0.037 1.00 73.43 H new ATOM 0 HG23 THR A 83 -5.474 -12.683 1.431 1.00 73.43 H new ATOM 1301 N THR A 84 -7.297 -12.293 -1.343 1.00 73.01 N ATOM 1302 CA THR A 84 -6.908 -11.928 -2.674 1.00 13.13 C ATOM 1303 C THR A 84 -5.580 -11.181 -2.651 1.00 44.42 C ATOM 1304 O THR A 84 -5.403 -10.265 -1.861 1.00 61.52 O ATOM 1305 CB THR A 84 -7.974 -11.037 -3.309 1.00 61.42 C ATOM 1306 OG1 THR A 84 -9.249 -11.697 -3.199 1.00 21.22 O ATOM 1307 CG2 THR A 84 -7.654 -10.798 -4.781 1.00 21.11 C ATOM 0 H THR A 84 -7.443 -11.504 -0.714 1.00 73.01 H new ATOM 0 HA THR A 84 -6.799 -12.840 -3.261 1.00 13.13 H new ATOM 0 HB THR A 84 -7.998 -10.076 -2.795 1.00 61.42 H new ATOM 0 HG1 THR A 84 -9.810 -11.219 -2.553 1.00 21.22 H new ATOM 0 HG21 THR A 84 -8.421 -10.162 -5.222 1.00 21.11 H new ATOM 0 HG22 THR A 84 -6.684 -10.309 -4.868 1.00 21.11 H new ATOM 0 HG23 THR A 84 -7.628 -11.752 -5.307 1.00 21.11 H new ATOM 1315 N VAL A 85 -4.658 -11.580 -3.494 1.00 64.04 N ATOM 1316 CA VAL A 85 -3.384 -10.909 -3.590 1.00 72.22 C ATOM 1317 C VAL A 85 -3.345 -10.019 -4.837 1.00 15.30 C ATOM 1318 O VAL A 85 -3.607 -10.475 -5.949 1.00 75.34 O ATOM 1319 CB VAL A 85 -2.178 -11.913 -3.556 1.00 5.43 C ATOM 1320 CG1 VAL A 85 -2.270 -12.956 -4.670 1.00 52.51 C ATOM 1321 CG2 VAL A 85 -0.844 -11.175 -3.615 1.00 33.34 C ATOM 0 H VAL A 85 -4.768 -12.372 -4.128 1.00 64.04 H new ATOM 0 HA VAL A 85 -3.276 -10.274 -2.711 1.00 72.22 H new ATOM 0 HB VAL A 85 -2.233 -12.444 -2.606 1.00 5.43 H new ATOM 0 HG11 VAL A 85 -1.416 -13.630 -4.609 1.00 52.51 H new ATOM 0 HG12 VAL A 85 -3.192 -13.527 -4.558 1.00 52.51 H new ATOM 0 HG13 VAL A 85 -2.269 -12.455 -5.638 1.00 52.51 H new ATOM 0 HG21 VAL A 85 -0.028 -11.897 -3.590 1.00 33.34 H new ATOM 0 HG22 VAL A 85 -0.789 -10.597 -4.537 1.00 33.34 H new ATOM 0 HG23 VAL A 85 -0.761 -10.504 -2.760 1.00 33.34 H new ATOM 1331 N MET A 86 -3.062 -8.753 -4.646 1.00 33.30 N ATOM 1332 CA MET A 86 -2.997 -7.819 -5.748 1.00 75.32 C ATOM 1333 C MET A 86 -1.728 -7.047 -5.705 1.00 71.32 C ATOM 1334 O MET A 86 -1.151 -6.825 -4.645 1.00 12.02 O ATOM 1335 CB MET A 86 -4.179 -6.857 -5.765 1.00 24.40 C ATOM 1336 CG MET A 86 -5.512 -7.526 -5.954 1.00 13.22 C ATOM 1337 SD MET A 86 -6.873 -6.362 -5.995 1.00 61.04 S ATOM 1338 CE MET A 86 -6.523 -5.433 -7.482 1.00 52.23 C ATOM 0 H MET A 86 -2.872 -8.342 -3.732 1.00 33.30 H new ATOM 0 HA MET A 86 -3.036 -8.411 -6.662 1.00 75.32 H new ATOM 0 HB2 MET A 86 -4.194 -6.300 -4.828 1.00 24.40 H new ATOM 0 HB3 MET A 86 -4.032 -6.132 -6.565 1.00 24.40 H new ATOM 0 HG2 MET A 86 -5.499 -8.096 -6.883 1.00 13.22 H new ATOM 0 HG3 MET A 86 -5.674 -8.239 -5.145 1.00 13.22 H new ATOM 0 HE1 MET A 86 -6.252 -4.411 -7.217 1.00 52.23 H new ATOM 0 HE2 MET A 86 -5.696 -5.901 -8.017 1.00 52.23 H new ATOM 0 HE3 MET A 86 -7.407 -5.420 -8.120 1.00 52.23 H new ATOM 1348 N HIS A 87 -1.296 -6.628 -6.845 1.00 51.32 N ATOM 1349 CA HIS A 87 -0.081 -5.895 -6.968 1.00 22.13 C ATOM 1350 C HIS A 87 -0.409 -4.445 -7.238 1.00 42.40 C ATOM 1351 O HIS A 87 -1.172 -4.137 -8.147 1.00 42.23 O ATOM 1352 CB HIS A 87 0.787 -6.484 -8.074 1.00 31.53 C ATOM 1353 CG HIS A 87 1.299 -7.886 -7.794 1.00 5.41 C ATOM 1354 ND1 HIS A 87 2.624 -8.155 -7.566 1.00 52.12 N ATOM 1355 CD2 HIS A 87 0.664 -9.102 -7.731 1.00 24.11 C ATOM 1356 CE1 HIS A 87 2.792 -9.447 -7.375 1.00 64.43 C ATOM 1357 NE2 HIS A 87 1.626 -10.036 -7.469 1.00 71.32 N ATOM 0 H HIS A 87 -1.781 -6.786 -7.728 1.00 51.32 H new ATOM 0 HA HIS A 87 0.487 -5.962 -6.040 1.00 22.13 H new ATOM 0 HB2 HIS A 87 0.212 -6.499 -9.000 1.00 31.53 H new ATOM 0 HB3 HIS A 87 1.640 -5.826 -8.239 1.00 31.53 H new ATOM 0 HD2 HIS A 87 -0.392 -9.285 -7.863 1.00 24.11 H new ATOM 0 HE1 HIS A 87 3.733 -9.938 -7.175 1.00 64.43 H new ATOM 0 HE2 HIS A 87 1.462 -11.037 -7.363 1.00 71.32 H new ATOM 1366 N LEU A 88 0.127 -3.564 -6.437 1.00 50.45 N ATOM 1367 CA LEU A 88 -0.185 -2.152 -6.550 1.00 34.13 C ATOM 1368 C LEU A 88 1.003 -1.349 -6.943 1.00 52.44 C ATOM 1369 O LEU A 88 2.134 -1.643 -6.539 1.00 2.13 O ATOM 1370 CB LEU A 88 -0.787 -1.582 -5.246 1.00 62.43 C ATOM 1371 CG LEU A 88 -2.262 -1.897 -4.945 1.00 51.24 C ATOM 1372 CD1 LEU A 88 -3.143 -1.329 -6.028 1.00 53.54 C ATOM 1373 CD2 LEU A 88 -2.509 -3.387 -4.781 1.00 33.40 C ATOM 0 H LEU A 88 0.786 -3.794 -5.693 1.00 50.45 H new ATOM 0 HA LEU A 88 -0.934 -2.075 -7.338 1.00 34.13 H new ATOM 0 HB2 LEU A 88 -0.188 -1.948 -4.412 1.00 62.43 H new ATOM 0 HB3 LEU A 88 -0.673 -0.498 -5.269 1.00 62.43 H new ATOM 0 HG LEU A 88 -2.512 -1.426 -3.994 1.00 51.24 H new ATOM 0 HD11 LEU A 88 -4.185 -1.557 -5.806 1.00 53.54 H new ATOM 0 HD12 LEU A 88 -3.010 -0.248 -6.075 1.00 53.54 H new ATOM 0 HD13 LEU A 88 -2.871 -1.770 -6.987 1.00 53.54 H new ATOM 0 HD21 LEU A 88 -3.564 -3.560 -4.570 1.00 33.40 H new ATOM 0 HD22 LEU A 88 -2.233 -3.905 -5.700 1.00 33.40 H new ATOM 0 HD23 LEU A 88 -1.907 -3.767 -3.956 1.00 33.40 H new ATOM 1385 N VAL A 89 0.762 -0.343 -7.736 1.00 40.43 N ATOM 1386 CA VAL A 89 1.792 0.554 -8.129 1.00 45.44 C ATOM 1387 C VAL A 89 1.370 1.979 -7.779 1.00 14.54 C ATOM 1388 O VAL A 89 0.231 2.380 -8.011 1.00 40.34 O ATOM 1389 CB VAL A 89 2.127 0.428 -9.654 1.00 65.21 C ATOM 1390 CG1 VAL A 89 2.671 -0.958 -9.971 1.00 32.14 C ATOM 1391 CG2 VAL A 89 0.901 0.688 -10.508 1.00 63.10 C ATOM 0 H VAL A 89 -0.157 -0.129 -8.124 1.00 40.43 H new ATOM 0 HA VAL A 89 2.703 0.297 -7.588 1.00 45.44 H new ATOM 0 HB VAL A 89 2.884 1.178 -9.884 1.00 65.21 H new ATOM 0 HG11 VAL A 89 2.898 -1.025 -11.035 1.00 32.14 H new ATOM 0 HG12 VAL A 89 3.580 -1.133 -9.395 1.00 32.14 H new ATOM 0 HG13 VAL A 89 1.926 -1.710 -9.710 1.00 32.14 H new ATOM 0 HG21 VAL A 89 1.165 0.593 -11.561 1.00 63.10 H new ATOM 0 HG22 VAL A 89 0.125 -0.037 -10.262 1.00 63.10 H new ATOM 0 HG23 VAL A 89 0.531 1.695 -10.316 1.00 63.10 H new ATOM 1401 N ALA A 90 2.264 2.694 -7.160 1.00 4.11 N ATOM 1402 CA ALA A 90 2.047 4.065 -6.805 1.00 65.42 C ATOM 1403 C ALA A 90 3.280 4.869 -7.112 1.00 4.53 C ATOM 1404 O ALA A 90 4.405 4.368 -6.967 1.00 1.42 O ATOM 1405 CB ALA A 90 1.656 4.210 -5.344 1.00 53.23 C ATOM 0 H ALA A 90 3.178 2.335 -6.884 1.00 4.11 H new ATOM 0 HA ALA A 90 1.216 4.445 -7.398 1.00 65.42 H new ATOM 0 HB1 ALA A 90 1.500 5.264 -5.112 1.00 53.23 H new ATOM 0 HB2 ALA A 90 0.736 3.657 -5.157 1.00 53.23 H new ATOM 0 HB3 ALA A 90 2.452 3.814 -4.713 1.00 53.23 H new