USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 802 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 67 ASN : amide:sc= -0.204 K(o=-0.22,f=-1.5!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -123:sc= -0.0158 (180deg=-0.251) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 32 THR OG1 : rot -104:sc= 0.706 USER MOD Set 3.2: A 53 CYS SG : rot -7:sc= -13.8! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0266 X(o=-0.027,f=0.0024) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.13) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.82 K(o=-1.8,f=-8.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -16.5! C(o=-17!,f=-13!) USER MOD Single : A 41 SER OG : rot -85:sc= 0.904 USER MOD Single : A 46 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.085) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 58 GLN : amide:sc= -2.27 K(o=-2.3,f=-5.3!) USER MOD Single : A 68 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.4!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.979 USER MOD Single : A 79 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.64) USER MOD Single : A 80 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.17) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.16) USER MOD Single : A 90 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.016) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= -0.222 (180deg=-1.44!) USER MOD Single : A 99 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.047) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -16.599 0.850 -8.211 1.00 0.00 N ATOM 2 CA LYS A 6 -16.197 2.187 -7.808 1.00 0.00 C ATOM 3 C LYS A 6 -14.740 2.421 -8.216 1.00 0.00 C ATOM 4 O LYS A 6 -14.142 1.589 -8.897 1.00 0.00 O ATOM 5 CB LYS A 6 -16.459 2.399 -6.316 1.00 0.00 C ATOM 6 CG LYS A 6 -17.908 2.824 -6.069 1.00 0.00 C ATOM 7 CD LYS A 6 -18.532 2.013 -4.932 1.00 0.00 C ATOM 8 CE LYS A 6 -20.009 1.728 -5.209 1.00 0.00 C ATOM 9 NZ LYS A 6 -20.853 2.838 -4.713 1.00 0.00 N ATOM 0 HA LYS A 6 -16.798 2.937 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.248 1.478 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.782 3.160 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.942 3.886 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.491 2.688 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.993 1.073 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.433 2.559 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.165 1.595 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.303 0.796 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.853 2.628 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.717 2.946 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.584 3.720 -5.193 1.00 0.00 H new ATOM 23 N GLU A 7 -14.213 3.556 -7.782 1.00 0.00 N ATOM 24 CA GLU A 7 -12.838 3.909 -8.094 1.00 0.00 C ATOM 25 C GLU A 7 -12.404 5.126 -7.274 1.00 0.00 C ATOM 26 O GLU A 7 -11.643 4.994 -6.316 1.00 0.00 O ATOM 27 CB GLU A 7 -12.664 4.167 -9.592 1.00 0.00 C ATOM 28 CG GLU A 7 -11.607 5.244 -9.843 1.00 0.00 C ATOM 29 CD GLU A 7 -11.019 5.118 -11.250 1.00 0.00 C ATOM 30 OE1 GLU A 7 -10.091 4.296 -11.406 1.00 0.00 O ATOM 31 OE2 GLU A 7 -11.512 5.846 -12.139 1.00 0.00 O ATOM 0 H GLU A 7 -14.713 4.243 -7.217 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.198 3.068 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.373 3.243 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.615 4.478 -10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.052 6.231 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.811 5.157 -9.103 1.00 0.00 H new ATOM 38 N ARG A 8 -12.907 6.283 -7.679 1.00 0.00 N ATOM 39 CA ARG A 8 -12.581 7.522 -6.994 1.00 0.00 C ATOM 40 C ARG A 8 -11.093 7.556 -6.638 1.00 0.00 C ATOM 41 O ARG A 8 -10.326 6.701 -7.079 1.00 0.00 O ATOM 42 CB ARG A 8 -13.407 7.678 -5.715 1.00 0.00 C ATOM 43 CG ARG A 8 -13.351 6.406 -4.867 1.00 0.00 C ATOM 44 CD ARG A 8 -14.135 6.581 -3.565 1.00 0.00 C ATOM 45 NE ARG A 8 -14.896 5.348 -3.263 1.00 0.00 N ATOM 46 CZ ARG A 8 -15.300 4.997 -2.035 1.00 0.00 C ATOM 47 NH1 ARG A 8 -15.019 5.782 -0.986 1.00 0.00 N ATOM 48 NH2 ARG A 8 -15.987 3.860 -1.855 1.00 0.00 N ATOM 0 H ARG A 8 -13.538 6.388 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.816 8.345 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.032 8.522 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.442 7.903 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.760 5.569 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.313 6.161 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.451 6.806 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.817 7.427 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.127 4.727 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.497 6.648 -1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.327 5.514 -0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.202 3.262 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.295 3.593 -0.920 1.00 0.00 H new ATOM 62 N LEU A 9 -10.730 8.553 -5.845 1.00 0.00 N ATOM 63 CA LEU A 9 -9.347 8.710 -5.426 1.00 0.00 C ATOM 64 C LEU A 9 -8.783 7.346 -5.025 1.00 0.00 C ATOM 65 O LEU A 9 -7.628 7.038 -5.315 1.00 0.00 O ATOM 66 CB LEU A 9 -9.238 9.768 -4.326 1.00 0.00 C ATOM 67 CG LEU A 9 -9.332 9.254 -2.888 1.00 0.00 C ATOM 68 CD1 LEU A 9 -8.543 10.150 -1.932 1.00 0.00 C ATOM 69 CD2 LEU A 9 -10.792 9.099 -2.456 1.00 0.00 C ATOM 0 H LEU A 9 -11.369 9.260 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.738 9.077 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.287 10.288 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.026 10.505 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.878 8.264 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.627 9.762 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.494 10.165 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.945 11.163 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.831 8.732 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.294 10.065 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.293 8.389 -3.114 1.00 0.00 H new ATOM 81 N GLU A 10 -9.624 6.564 -4.364 1.00 0.00 N ATOM 82 CA GLU A 10 -9.223 5.240 -3.920 1.00 0.00 C ATOM 83 C GLU A 10 -8.379 4.553 -4.995 1.00 0.00 C ATOM 84 O GLU A 10 -7.172 4.384 -4.829 1.00 0.00 O ATOM 85 CB GLU A 10 -10.442 4.391 -3.555 1.00 0.00 C ATOM 86 CG GLU A 10 -10.035 3.176 -2.719 1.00 0.00 C ATOM 87 CD GLU A 10 -11.042 2.036 -2.880 1.00 0.00 C ATOM 88 OE1 GLU A 10 -12.235 2.290 -2.604 1.00 0.00 O ATOM 89 OE2 GLU A 10 -10.598 0.938 -3.277 1.00 0.00 O ATOM 0 H GLU A 10 -10.581 6.822 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.615 5.348 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.157 4.996 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.944 4.060 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.045 2.837 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.966 3.459 -1.669 1.00 0.00 H new ATOM 96 N ASN A 11 -9.047 4.174 -6.075 1.00 0.00 N ATOM 97 CA ASN A 11 -8.374 3.509 -7.177 1.00 0.00 C ATOM 98 C ASN A 11 -7.108 4.288 -7.540 1.00 0.00 C ATOM 99 O ASN A 11 -6.081 3.694 -7.864 1.00 0.00 O ATOM 100 CB ASN A 11 -9.268 3.455 -8.417 1.00 0.00 C ATOM 101 CG ASN A 11 -9.056 2.152 -9.190 1.00 0.00 C ATOM 102 OD1 ASN A 11 -7.997 1.889 -9.737 1.00 0.00 O ATOM 103 ND2 ASN A 11 -10.119 1.353 -9.205 1.00 0.00 N ATOM 0 H ASN A 11 -10.048 4.315 -6.210 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.134 2.494 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.313 3.540 -8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.051 4.305 -9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.078 0.459 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.975 1.634 -8.727 1.00 0.00 H new ATOM 110 N ASP A 12 -7.224 5.606 -7.475 1.00 0.00 N ATOM 111 CA ASP A 12 -6.102 6.473 -7.793 1.00 0.00 C ATOM 112 C ASP A 12 -4.894 6.067 -6.946 1.00 0.00 C ATOM 113 O ASP A 12 -3.873 5.635 -7.480 1.00 0.00 O ATOM 114 CB ASP A 12 -6.429 7.934 -7.481 1.00 0.00 C ATOM 115 CG ASP A 12 -5.826 8.953 -8.451 1.00 0.00 C ATOM 116 OD1 ASP A 12 -5.982 8.735 -9.672 1.00 0.00 O ATOM 117 OD2 ASP A 12 -5.223 9.926 -7.949 1.00 0.00 O ATOM 0 H ASP A 12 -8.078 6.095 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.888 6.371 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.512 8.055 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.079 8.162 -6.474 1.00 0.00 H new ATOM 122 N ILE A 13 -5.049 6.221 -5.639 1.00 0.00 N ATOM 123 CA ILE A 13 -3.984 5.876 -4.713 1.00 0.00 C ATOM 124 C ILE A 13 -3.414 4.506 -5.085 1.00 0.00 C ATOM 125 O ILE A 13 -2.208 4.285 -4.990 1.00 0.00 O ATOM 126 CB ILE A 13 -4.481 5.964 -3.269 1.00 0.00 C ATOM 127 CG1 ILE A 13 -5.018 7.362 -2.957 1.00 0.00 C ATOM 128 CG2 ILE A 13 -3.388 5.538 -2.286 1.00 0.00 C ATOM 129 CD1 ILE A 13 -6.545 7.356 -2.869 1.00 0.00 C ATOM 0 H ILE A 13 -5.896 6.580 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.166 6.593 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.311 5.267 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.597 7.715 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.698 8.060 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.767 5.610 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.094 4.509 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.523 6.192 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.901 8.362 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.963 7.026 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.861 6.676 -2.078 1.00 0.00 H new ATOM 141 N ILE A 14 -4.308 3.622 -5.502 1.00 0.00 N ATOM 142 CA ILE A 14 -3.910 2.279 -5.889 1.00 0.00 C ATOM 143 C ILE A 14 -2.993 2.357 -7.112 1.00 0.00 C ATOM 144 O ILE A 14 -2.010 1.623 -7.203 1.00 0.00 O ATOM 145 CB ILE A 14 -5.140 1.394 -6.098 1.00 0.00 C ATOM 146 CG1 ILE A 14 -5.584 0.753 -4.782 1.00 0.00 C ATOM 147 CG2 ILE A 14 -4.886 0.350 -7.187 1.00 0.00 C ATOM 148 CD1 ILE A 14 -5.766 1.810 -3.691 1.00 0.00 C ATOM 0 H ILE A 14 -5.308 3.810 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.339 1.806 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.960 2.025 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.520 0.216 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.844 0.019 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.776 -0.266 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.654 0.853 -8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.047 -0.282 -6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.082 1.328 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.822 2.329 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.524 2.528 -4.003 1.00 0.00 H new ATOM 160 N ARG A 15 -3.348 3.252 -8.021 1.00 0.00 N ATOM 161 CA ARG A 15 -2.569 3.435 -9.235 1.00 0.00 C ATOM 162 C ARG A 15 -1.213 4.063 -8.906 1.00 0.00 C ATOM 163 O ARG A 15 -0.258 3.920 -9.667 1.00 0.00 O ATOM 164 CB ARG A 15 -3.308 4.328 -10.234 1.00 0.00 C ATOM 165 CG ARG A 15 -2.360 4.834 -11.323 1.00 0.00 C ATOM 166 CD ARG A 15 -3.125 5.599 -12.404 1.00 0.00 C ATOM 167 NE ARG A 15 -2.641 6.996 -12.475 1.00 0.00 N ATOM 168 CZ ARG A 15 -2.776 7.784 -13.550 1.00 0.00 C ATOM 169 NH1 ARG A 15 -3.380 7.317 -14.651 1.00 0.00 N ATOM 170 NH2 ARG A 15 -2.306 9.039 -13.524 1.00 0.00 N ATOM 0 H ARG A 15 -4.164 3.859 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.419 2.453 -9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.126 3.770 -10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.752 5.175 -9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.604 5.482 -10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.834 3.992 -11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.993 5.110 -13.369 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.192 5.586 -12.184 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.176 7.383 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.737 6.362 -14.671 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.483 7.917 -15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.846 9.394 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.409 9.639 -14.342 1.00 0.00 H new ATOM 184 N LEU A 16 -1.173 4.745 -7.771 1.00 0.00 N ATOM 185 CA LEU A 16 0.050 5.396 -7.332 1.00 0.00 C ATOM 186 C LEU A 16 1.099 4.331 -7.003 1.00 0.00 C ATOM 187 O LEU A 16 2.090 4.189 -7.717 1.00 0.00 O ATOM 188 CB LEU A 16 -0.238 6.354 -6.174 1.00 0.00 C ATOM 189 CG LEU A 16 -0.262 7.842 -6.525 1.00 0.00 C ATOM 190 CD1 LEU A 16 1.001 8.247 -7.287 1.00 0.00 C ATOM 191 CD2 LEU A 16 -1.535 8.204 -7.294 1.00 0.00 C ATOM 0 H LEU A 16 -1.968 4.861 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 16 0.461 6.014 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.202 6.088 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.515 6.195 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.274 8.411 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.958 9.310 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.877 8.048 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.069 7.672 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.527 9.268 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.579 7.627 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.407 7.976 -6.682 1.00 0.00 H new ATOM 203 N ILE A 17 0.845 3.610 -5.920 1.00 0.00 N ATOM 204 CA ILE A 17 1.755 2.563 -5.488 1.00 0.00 C ATOM 205 C ILE A 17 1.974 1.578 -6.637 1.00 0.00 C ATOM 206 O ILE A 17 2.973 0.861 -6.663 1.00 0.00 O ATOM 207 CB ILE A 17 1.244 1.907 -4.204 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.681 2.701 -2.971 1.00 0.00 C ATOM 209 CG2 ILE A 17 1.680 0.442 -4.126 1.00 0.00 C ATOM 210 CD1 ILE A 17 3.206 2.795 -2.891 1.00 0.00 C ATOM 0 H ILE A 17 0.022 3.731 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 17 2.729 2.983 -5.238 1.00 0.00 H new ATOM 0 HB ILE A 17 0.154 1.918 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.253 3.703 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.295 2.223 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.304 -0.001 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.279 -0.103 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.768 0.385 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.490 3.364 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.630 1.793 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.587 3.295 -3.781 1.00 0.00 H new ATOM 222 N ASN A 18 1.023 1.573 -7.561 1.00 0.00 N ATOM 223 CA ASN A 18 1.100 0.687 -8.710 1.00 0.00 C ATOM 224 C ASN A 18 2.150 1.218 -9.688 1.00 0.00 C ATOM 225 O ASN A 18 2.971 0.456 -10.197 1.00 0.00 O ATOM 226 CB ASN A 18 -0.240 0.621 -9.445 1.00 0.00 C ATOM 227 CG ASN A 18 -0.897 -0.749 -9.265 1.00 0.00 C ATOM 228 OD1 ASN A 18 -1.255 -1.156 -8.172 1.00 0.00 O ATOM 229 ND2 ASN A 18 -1.033 -1.436 -10.396 1.00 0.00 N ATOM 0 H ASN A 18 0.195 2.169 -7.537 1.00 0.00 H new ATOM 0 HA ASN A 18 1.364 -0.308 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.904 1.399 -9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.087 0.818 -10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.459 -2.363 -10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.712 -1.036 -11.277 1.00 0.00 H new ATOM 236 N ARG A 19 2.090 2.521 -9.921 1.00 0.00 N ATOM 237 CA ARG A 19 3.026 3.162 -10.830 1.00 0.00 C ATOM 238 C ARG A 19 4.465 2.896 -10.384 1.00 0.00 C ATOM 239 O ARG A 19 5.380 2.879 -11.206 1.00 0.00 O ATOM 240 CB ARG A 19 2.789 4.673 -10.888 1.00 0.00 C ATOM 241 CG ARG A 19 1.830 5.033 -12.025 1.00 0.00 C ATOM 242 CD ARG A 19 2.559 5.793 -13.136 1.00 0.00 C ATOM 243 NE ARG A 19 2.492 5.026 -14.401 1.00 0.00 N ATOM 244 CZ ARG A 19 2.637 5.570 -15.617 1.00 0.00 C ATOM 245 NH1 ARG A 19 2.858 6.886 -15.741 1.00 0.00 N ATOM 246 NH2 ARG A 19 2.561 4.798 -16.709 1.00 0.00 N ATOM 0 H ARG A 19 1.408 3.150 -9.497 1.00 0.00 H new ATOM 0 HA ARG A 19 2.866 2.741 -11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.379 5.017 -9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.739 5.189 -11.031 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.385 4.125 -12.432 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.013 5.642 -11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.108 6.776 -13.272 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.599 5.956 -12.854 1.00 0.00 H new ATOM 0 HE ARG A 19 2.325 4.021 -14.343 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.916 7.474 -14.910 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.968 7.300 -16.667 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.393 3.796 -16.615 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.671 5.212 -17.635 1.00 0.00 H new ATOM 260 N THR A 20 4.621 2.694 -9.084 1.00 0.00 N ATOM 261 CA THR A 20 5.933 2.429 -8.520 1.00 0.00 C ATOM 262 C THR A 20 6.401 1.022 -8.895 1.00 0.00 C ATOM 263 O THR A 20 7.378 0.863 -9.626 1.00 0.00 O ATOM 264 CB THR A 20 5.854 2.660 -7.010 1.00 0.00 C ATOM 265 OG1 THR A 20 6.683 3.798 -6.788 1.00 0.00 O ATOM 266 CG2 THR A 20 6.531 1.545 -6.210 1.00 0.00 C ATOM 0 H THR A 20 3.860 2.709 -8.405 1.00 0.00 H new ATOM 0 HA THR A 20 6.683 3.107 -8.929 1.00 0.00 H new ATOM 0 HB THR A 20 4.809 2.739 -6.710 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.687 4.018 -5.833 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.446 1.759 -5.145 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.046 0.594 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.584 1.487 -6.486 1.00 0.00 H new ATOM 274 N VAL A 21 5.682 0.036 -8.379 1.00 0.00 N ATOM 275 CA VAL A 21 6.012 -1.353 -8.651 1.00 0.00 C ATOM 276 C VAL A 21 6.066 -1.572 -10.164 1.00 0.00 C ATOM 277 O VAL A 21 6.677 -2.531 -10.634 1.00 0.00 O ATOM 278 CB VAL A 21 5.013 -2.275 -7.949 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.499 -3.725 -7.966 1.00 0.00 C ATOM 280 CG2 VAL A 21 4.744 -1.804 -6.518 1.00 0.00 C ATOM 0 H VAL A 21 4.872 0.171 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 21 6.996 -1.598 -8.251 1.00 0.00 H new ATOM 0 HB VAL A 21 4.073 -2.230 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.770 -4.359 -7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.616 -4.058 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.458 -3.793 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.031 -2.477 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.676 -1.805 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.333 -0.795 -6.538 1.00 0.00 H new ATOM 290 N ILE A 22 5.420 -0.668 -10.885 1.00 0.00 N ATOM 291 CA ILE A 22 5.388 -0.751 -12.335 1.00 0.00 C ATOM 292 C ILE A 22 6.820 -0.818 -12.870 1.00 0.00 C ATOM 293 O ILE A 22 7.103 -1.568 -13.803 1.00 0.00 O ATOM 294 CB ILE A 22 4.566 0.400 -12.919 1.00 0.00 C ATOM 295 CG1 ILE A 22 3.172 -0.076 -13.332 1.00 0.00 C ATOM 296 CG2 ILE A 22 5.309 1.071 -14.077 1.00 0.00 C ATOM 297 CD1 ILE A 22 3.260 -1.251 -14.307 1.00 0.00 C ATOM 0 H ILE A 22 4.914 0.126 -10.492 1.00 0.00 H new ATOM 0 HA ILE A 22 4.886 -1.665 -12.653 1.00 0.00 H new ATOM 0 HB ILE A 22 4.432 1.153 -12.142 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.609 -0.374 -12.448 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.626 0.746 -13.796 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.704 1.886 -14.474 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.259 1.467 -13.719 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.494 0.339 -14.863 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.255 -1.570 -14.584 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.802 -0.942 -15.201 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.785 -2.080 -13.832 1.00 0.00 H new ATOM 309 N HIS A 23 7.684 -0.024 -12.256 1.00 0.00 N ATOM 310 CA HIS A 23 9.080 0.017 -12.659 1.00 0.00 C ATOM 311 C HIS A 23 9.968 0.144 -11.419 1.00 0.00 C ATOM 312 O HIS A 23 11.045 0.735 -11.481 1.00 0.00 O ATOM 313 CB HIS A 23 9.320 1.133 -13.677 1.00 0.00 C ATOM 314 CG HIS A 23 10.631 1.019 -14.417 1.00 0.00 C ATOM 315 ND1 HIS A 23 10.776 0.274 -15.574 1.00 0.00 N ATOM 316 CD2 HIS A 23 11.854 1.562 -14.153 1.00 0.00 C ATOM 317 CE1 HIS A 23 12.034 0.371 -15.979 1.00 0.00 C ATOM 318 NE2 HIS A 23 12.700 1.170 -15.097 1.00 0.00 N ATOM 0 H HIS A 23 7.445 0.596 -11.482 1.00 0.00 H new ATOM 0 HA HIS A 23 9.345 -0.914 -13.160 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.505 1.132 -14.401 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.288 2.093 -13.162 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.093 2.203 -13.317 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.457 -0.100 -16.854 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.686 1.424 -15.154 1.00 0.00 H new ATOM 327 N GLU A 24 9.484 -0.422 -10.323 1.00 0.00 N ATOM 328 CA GLU A 24 10.221 -0.379 -9.072 1.00 0.00 C ATOM 329 C GLU A 24 9.989 -1.665 -8.276 1.00 0.00 C ATOM 330 O GLU A 24 9.252 -2.547 -8.714 1.00 0.00 O ATOM 331 CB GLU A 24 9.834 0.851 -8.249 1.00 0.00 C ATOM 332 CG GLU A 24 11.073 1.526 -7.657 1.00 0.00 C ATOM 333 CD GLU A 24 11.230 2.951 -8.192 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.321 3.764 -7.919 1.00 0.00 O ATOM 335 OE2 GLU A 24 12.256 3.194 -8.863 1.00 0.00 O ATOM 0 H GLU A 24 8.591 -0.913 -10.276 1.00 0.00 H new ATOM 0 HA GLU A 24 11.284 -0.302 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.295 1.559 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.157 0.558 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.995 1.548 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.961 0.942 -7.901 1.00 0.00 H new ATOM 342 N ILE A 25 10.633 -1.732 -7.119 1.00 0.00 N ATOM 343 CA ILE A 25 10.506 -2.895 -6.258 1.00 0.00 C ATOM 344 C ILE A 25 11.183 -4.094 -6.926 1.00 0.00 C ATOM 345 O ILE A 25 11.066 -5.222 -6.449 1.00 0.00 O ATOM 346 CB ILE A 25 9.039 -3.139 -5.899 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.391 -1.867 -5.348 1.00 0.00 C ATOM 348 CG2 ILE A 25 8.900 -4.317 -4.933 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.920 -1.543 -3.949 1.00 0.00 C ATOM 0 H ILE A 25 11.244 -0.999 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 25 11.018 -2.725 -5.311 1.00 0.00 H new ATOM 0 HB ILE A 25 8.504 -3.405 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.592 -1.032 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.309 -1.993 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.848 -4.469 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.300 -5.218 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.453 -4.104 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.443 -0.635 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.695 -2.369 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.999 -1.394 -3.993 1.00 0.00 H new ATOM 361 N TYR A 26 11.876 -3.810 -8.018 1.00 0.00 N ATOM 362 CA TYR A 26 12.571 -4.851 -8.756 1.00 0.00 C ATOM 363 C TYR A 26 11.696 -6.097 -8.903 1.00 0.00 C ATOM 364 O TYR A 26 12.176 -7.219 -8.749 1.00 0.00 O ATOM 365 CB TYR A 26 13.806 -5.204 -7.924 1.00 0.00 C ATOM 366 CG TYR A 26 15.121 -5.136 -8.703 1.00 0.00 C ATOM 367 CD1 TYR A 26 15.417 -6.102 -9.643 1.00 0.00 C ATOM 368 CD2 TYR A 26 16.011 -4.109 -8.465 1.00 0.00 C ATOM 369 CE1 TYR A 26 16.655 -6.038 -10.376 1.00 0.00 C ATOM 370 CE2 TYR A 26 17.249 -4.045 -9.198 1.00 0.00 C ATOM 371 CZ TYR A 26 17.510 -5.013 -10.117 1.00 0.00 C ATOM 372 OH TYR A 26 18.679 -4.953 -10.810 1.00 0.00 O ATOM 0 H TYR A 26 11.971 -2.873 -8.410 1.00 0.00 H new ATOM 0 HA TYR A 26 12.826 -4.506 -9.758 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.864 -4.525 -7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.685 -6.210 -7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.720 -6.906 -9.829 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.779 -3.353 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.899 -6.787 -11.115 1.00 0.00 H new ATOM 0 HE2 TYR A 26 17.954 -3.246 -9.022 1.00 0.00 H new ATOM 0 HH TYR A 26 19.190 -4.168 -10.522 1.00 0.00 H new ATOM 382 N ASN A 27 10.426 -5.858 -9.198 1.00 0.00 N ATOM 383 CA ASN A 27 9.480 -6.947 -9.367 1.00 0.00 C ATOM 384 C ASN A 27 9.725 -8.002 -8.287 1.00 0.00 C ATOM 385 O ASN A 27 9.703 -9.200 -8.568 1.00 0.00 O ATOM 386 CB ASN A 27 9.650 -7.618 -10.732 1.00 0.00 C ATOM 387 CG ASN A 27 8.332 -8.228 -11.211 1.00 0.00 C ATOM 388 OD1 ASN A 27 7.311 -8.166 -10.546 1.00 0.00 O ATOM 389 ND2 ASN A 27 8.410 -8.820 -12.400 1.00 0.00 N ATOM 0 H ASN A 27 10.031 -4.926 -9.324 1.00 0.00 H new ATOM 0 HA ASN A 27 8.474 -6.534 -9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.002 -6.886 -11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.412 -8.395 -10.667 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.583 -9.258 -12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.296 -8.836 -12.904 1.00 0.00 H new ATOM 396 N GLU A 28 9.952 -7.520 -7.074 1.00 0.00 N ATOM 397 CA GLU A 28 10.201 -8.407 -5.951 1.00 0.00 C ATOM 398 C GLU A 28 9.069 -9.428 -5.820 1.00 0.00 C ATOM 399 O GLU A 28 9.249 -10.603 -6.136 1.00 0.00 O ATOM 400 CB GLU A 28 10.377 -7.614 -4.654 1.00 0.00 C ATOM 401 CG GLU A 28 11.063 -8.461 -3.581 1.00 0.00 C ATOM 402 CD GLU A 28 12.154 -7.662 -2.866 1.00 0.00 C ATOM 403 OE1 GLU A 28 11.923 -6.452 -2.652 1.00 0.00 O ATOM 404 OE2 GLU A 28 13.194 -8.279 -2.550 1.00 0.00 O ATOM 0 H GLU A 28 9.969 -6.526 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 28 11.130 -8.946 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.968 -6.719 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.404 -7.281 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.325 -8.804 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.498 -9.350 -4.038 1.00 0.00 H new ATOM 411 N THR A 29 7.928 -8.943 -5.353 1.00 0.00 N ATOM 412 CA THR A 29 6.768 -9.799 -5.176 1.00 0.00 C ATOM 413 C THR A 29 5.486 -8.963 -5.159 1.00 0.00 C ATOM 414 O THR A 29 4.506 -9.309 -5.816 1.00 0.00 O ATOM 415 CB THR A 29 6.975 -10.619 -3.901 1.00 0.00 C ATOM 416 OG1 THR A 29 6.669 -11.955 -4.294 1.00 0.00 O ATOM 417 CG2 THR A 29 5.936 -10.301 -2.824 1.00 0.00 C ATOM 0 H THR A 29 7.782 -7.968 -5.092 1.00 0.00 H new ATOM 0 HA THR A 29 6.657 -10.491 -6.010 1.00 0.00 H new ATOM 0 HB THR A 29 7.974 -10.431 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.779 -12.555 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.129 -10.910 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.999 -9.246 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.938 -10.520 -3.205 1.00 0.00 H new ATOM 425 N VAL A 30 5.536 -7.878 -4.400 1.00 0.00 N ATOM 426 CA VAL A 30 4.391 -6.990 -4.288 1.00 0.00 C ATOM 427 C VAL A 30 3.718 -6.858 -5.656 1.00 0.00 C ATOM 428 O VAL A 30 2.514 -6.621 -5.739 1.00 0.00 O ATOM 429 CB VAL A 30 4.828 -5.644 -3.705 1.00 0.00 C ATOM 430 CG1 VAL A 30 5.659 -5.841 -2.435 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.595 -4.821 -4.741 1.00 0.00 C ATOM 0 H VAL A 30 6.351 -7.594 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 30 3.653 -7.403 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 30 3.930 -5.088 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.957 -4.869 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.064 -6.368 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.549 -6.426 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.894 -3.870 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.482 -5.369 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.956 -4.637 -5.605 1.00 0.00 H new ATOM 441 N LYS A 31 4.525 -7.018 -6.695 1.00 0.00 N ATOM 442 CA LYS A 31 4.023 -6.920 -8.055 1.00 0.00 C ATOM 443 C LYS A 31 2.722 -7.717 -8.172 1.00 0.00 C ATOM 444 O LYS A 31 1.889 -7.430 -9.030 1.00 0.00 O ATOM 445 CB LYS A 31 5.098 -7.348 -9.055 1.00 0.00 C ATOM 446 CG LYS A 31 4.765 -6.852 -10.464 1.00 0.00 C ATOM 447 CD LYS A 31 4.181 -7.979 -11.318 1.00 0.00 C ATOM 448 CE LYS A 31 4.664 -7.876 -12.766 1.00 0.00 C ATOM 449 NZ LYS A 31 3.666 -8.460 -13.689 1.00 0.00 N ATOM 0 H LYS A 31 5.523 -7.215 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 31 3.787 -5.885 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.066 -6.953 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.184 -8.435 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.053 -6.029 -10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.665 -6.461 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.472 -8.944 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.092 -7.935 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.839 -6.831 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.616 -8.395 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.010 -8.382 -14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.519 -9.462 -13.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.766 -7.947 -13.597 1.00 0.00 H new ATOM 463 N THR A 32 2.588 -8.702 -7.296 1.00 0.00 N ATOM 464 CA THR A 32 1.403 -9.542 -7.291 1.00 0.00 C ATOM 465 C THR A 32 0.330 -8.946 -6.377 1.00 0.00 C ATOM 466 O THR A 32 -0.863 -9.072 -6.649 1.00 0.00 O ATOM 467 CB THR A 32 1.827 -10.956 -6.888 1.00 0.00 C ATOM 468 OG1 THR A 32 0.596 -11.659 -6.740 1.00 0.00 O ATOM 469 CG2 THR A 32 2.453 -11.004 -5.492 1.00 0.00 C ATOM 0 H THR A 32 3.281 -8.937 -6.585 1.00 0.00 H new ATOM 0 HA THR A 32 0.950 -9.592 -8.281 1.00 0.00 H new ATOM 0 HB THR A 32 2.537 -11.344 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.398 -11.775 -5.787 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.736 -12.030 -5.255 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.338 -10.369 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.731 -10.648 -4.757 1.00 0.00 H new ATOM 477 N GLY A 33 0.794 -8.310 -5.311 1.00 0.00 N ATOM 478 CA GLY A 33 -0.111 -7.694 -4.355 1.00 0.00 C ATOM 479 C GLY A 33 -1.164 -6.842 -5.067 1.00 0.00 C ATOM 480 O GLY A 33 -0.908 -6.303 -6.142 1.00 0.00 O ATOM 0 H GLY A 33 1.784 -8.208 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.602 -8.467 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.455 -7.073 -3.661 1.00 0.00 H new ATOM 484 N HIS A 34 -2.327 -6.749 -4.438 1.00 0.00 N ATOM 485 CA HIS A 34 -3.420 -5.973 -4.998 1.00 0.00 C ATOM 486 C HIS A 34 -4.449 -5.674 -3.906 1.00 0.00 C ATOM 487 O HIS A 34 -5.369 -6.459 -3.683 1.00 0.00 O ATOM 488 CB HIS A 34 -4.029 -6.685 -6.208 1.00 0.00 C ATOM 489 CG HIS A 34 -3.699 -6.039 -7.532 1.00 0.00 C ATOM 490 ND1 HIS A 34 -4.205 -4.808 -7.911 1.00 0.00 N ATOM 491 CD2 HIS A 34 -2.909 -6.464 -8.559 1.00 0.00 C ATOM 492 CE1 HIS A 34 -3.736 -4.516 -9.115 1.00 0.00 C ATOM 493 NE2 HIS A 34 -2.933 -5.543 -9.515 1.00 0.00 N ATOM 0 H HIS A 34 -2.536 -7.198 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.042 -5.018 -5.364 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.680 -7.718 -6.222 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.112 -6.716 -6.091 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.358 -7.392 -8.590 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.952 -3.622 -9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.433 -5.595 -10.403 1.00 0.00 H new ATOM 502 N VAL A 35 -4.259 -4.536 -3.254 1.00 0.00 N ATOM 503 CA VAL A 35 -5.159 -4.123 -2.191 1.00 0.00 C ATOM 504 C VAL A 35 -6.589 -4.527 -2.554 1.00 0.00 C ATOM 505 O VAL A 35 -7.209 -5.327 -1.855 1.00 0.00 O ATOM 506 CB VAL A 35 -5.009 -2.623 -1.931 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.667 -2.227 -0.608 1.00 0.00 C ATOM 508 CG2 VAL A 35 -3.537 -2.207 -1.957 1.00 0.00 C ATOM 0 H VAL A 35 -3.495 -3.887 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.905 -4.627 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.522 -2.091 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.546 -1.156 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.729 -2.471 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.196 -2.772 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.458 -1.136 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.991 -2.751 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.111 -2.437 -2.934 1.00 0.00 H new ATOM 518 N THR A 36 -7.072 -3.955 -3.647 1.00 0.00 N ATOM 519 CA THR A 36 -8.418 -4.245 -4.112 1.00 0.00 C ATOM 520 C THR A 36 -9.449 -3.526 -3.240 1.00 0.00 C ATOM 521 O THR A 36 -10.648 -3.594 -3.507 1.00 0.00 O ATOM 522 CB THR A 36 -8.594 -5.765 -4.132 1.00 0.00 C ATOM 523 OG1 THR A 36 -9.522 -5.993 -5.189 1.00 0.00 O ATOM 524 CG2 THR A 36 -9.311 -6.288 -2.886 1.00 0.00 C ATOM 0 H THR A 36 -6.555 -3.292 -4.224 1.00 0.00 H new ATOM 0 HA THR A 36 -8.576 -3.871 -5.124 1.00 0.00 H new ATOM 0 HB THR A 36 -7.618 -6.242 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.692 -6.954 -5.273 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.410 -7.372 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.734 -6.029 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.301 -5.837 -2.820 1.00 0.00 H new ATOM 532 N HIS A 37 -8.945 -2.852 -2.217 1.00 0.00 N ATOM 533 CA HIS A 37 -9.808 -2.120 -1.305 1.00 0.00 C ATOM 534 C HIS A 37 -9.097 -0.850 -0.833 1.00 0.00 C ATOM 535 O HIS A 37 -9.247 0.210 -1.438 1.00 0.00 O ATOM 536 CB HIS A 37 -10.256 -3.014 -0.146 1.00 0.00 C ATOM 537 CG HIS A 37 -9.394 -4.237 0.055 1.00 0.00 C ATOM 538 ND1 HIS A 37 -9.894 -5.526 -0.010 1.00 0.00 N ATOM 539 CD2 HIS A 37 -8.061 -4.354 0.319 1.00 0.00 C ATOM 540 CE1 HIS A 37 -8.898 -6.372 0.208 1.00 0.00 C ATOM 541 NE2 HIS A 37 -7.763 -5.644 0.412 1.00 0.00 N ATOM 0 H HIS A 37 -7.950 -2.797 -1.999 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.716 -1.814 -1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.256 -2.427 0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.284 -3.331 -0.322 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.366 -3.536 0.433 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.972 -7.449 0.222 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -6.838 -6.028 0.604 1.00 0.00 H new ATOM 550 N VAL A 38 -8.339 -1.000 0.243 1.00 0.00 N ATOM 551 CA VAL A 38 -7.604 0.122 0.802 1.00 0.00 C ATOM 552 C VAL A 38 -8.577 1.049 1.533 1.00 0.00 C ATOM 553 O VAL A 38 -9.748 1.137 1.168 1.00 0.00 O ATOM 554 CB VAL A 38 -6.814 0.832 -0.299 1.00 0.00 C ATOM 555 CG1 VAL A 38 -7.488 2.147 -0.695 1.00 0.00 C ATOM 556 CG2 VAL A 38 -5.364 1.065 0.130 1.00 0.00 C ATOM 0 H VAL A 38 -8.218 -1.881 0.743 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.874 -0.226 1.533 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.803 0.184 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.907 2.632 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.494 1.944 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.544 2.803 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.825 1.571 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.345 1.683 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.888 0.107 0.339 1.00 0.00 H new ATOM 566 N LYS A 39 -8.056 1.717 2.552 1.00 0.00 N ATOM 567 CA LYS A 39 -8.864 2.634 3.337 1.00 0.00 C ATOM 568 C LYS A 39 -8.143 3.980 3.442 1.00 0.00 C ATOM 569 O LYS A 39 -7.204 4.126 4.222 1.00 0.00 O ATOM 570 CB LYS A 39 -9.211 2.016 4.693 1.00 0.00 C ATOM 571 CG LYS A 39 -9.948 3.021 5.581 1.00 0.00 C ATOM 572 CD LYS A 39 -9.233 3.194 6.923 1.00 0.00 C ATOM 573 CE LYS A 39 -7.967 4.039 6.764 1.00 0.00 C ATOM 574 NZ LYS A 39 -7.507 4.536 8.080 1.00 0.00 N ATOM 0 H LYS A 39 -7.084 1.641 2.852 1.00 0.00 H new ATOM 0 HA LYS A 39 -9.818 2.820 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.831 1.132 4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.299 1.686 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.012 3.983 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.970 2.681 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.904 3.669 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.974 2.217 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.181 3.444 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.165 4.880 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.647 5.107 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.252 5.121 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.298 3.729 8.702 1.00 0.00 H new ATOM 588 N LEU A 40 -8.611 4.929 2.644 1.00 0.00 N ATOM 589 CA LEU A 40 -8.024 6.258 2.637 1.00 0.00 C ATOM 590 C LEU A 40 -8.456 7.008 3.898 1.00 0.00 C ATOM 591 O LEU A 40 -9.592 6.871 4.348 1.00 0.00 O ATOM 592 CB LEU A 40 -8.367 6.989 1.338 1.00 0.00 C ATOM 593 CG LEU A 40 -7.385 8.076 0.900 1.00 0.00 C ATOM 594 CD1 LEU A 40 -7.672 9.396 1.618 1.00 0.00 C ATOM 595 CD2 LEU A 40 -5.938 7.620 1.097 1.00 0.00 C ATOM 0 H LEU A 40 -9.390 4.804 1.998 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.936 6.194 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.442 6.252 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.353 7.441 1.448 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.525 8.252 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.959 10.152 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.684 9.725 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.577 9.253 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.260 8.412 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.767 7.399 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.755 6.724 0.503 1.00 0.00 H new ATOM 607 N SER A 41 -7.526 7.786 4.433 1.00 0.00 N ATOM 608 CA SER A 41 -7.797 8.559 5.633 1.00 0.00 C ATOM 609 C SER A 41 -6.736 9.648 5.805 1.00 0.00 C ATOM 610 O SER A 41 -5.570 9.442 5.470 1.00 0.00 O ATOM 611 CB SER A 41 -7.838 7.659 6.870 1.00 0.00 C ATOM 612 OG SER A 41 -8.027 8.407 8.068 1.00 0.00 O ATOM 0 H SER A 41 -6.584 7.897 4.057 1.00 0.00 H new ATOM 0 HA SER A 41 -8.775 9.027 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.645 6.934 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.908 7.094 6.938 1.00 0.00 H new ATOM 0 HG SER A 41 -7.161 8.736 8.388 1.00 0.00 H new ATOM 618 N ASP A 42 -7.177 10.783 6.327 1.00 0.00 N ATOM 619 CA ASP A 42 -6.280 11.904 6.547 1.00 0.00 C ATOM 620 C ASP A 42 -5.897 12.518 5.199 1.00 0.00 C ATOM 621 O ASP A 42 -5.069 13.425 5.138 1.00 0.00 O ATOM 622 CB ASP A 42 -4.994 11.453 7.243 1.00 0.00 C ATOM 623 CG ASP A 42 -5.203 10.603 8.498 1.00 0.00 C ATOM 624 OD1 ASP A 42 -6.274 9.964 8.580 1.00 0.00 O ATOM 625 OD2 ASP A 42 -4.286 10.613 9.348 1.00 0.00 O ATOM 0 H ASP A 42 -8.144 10.950 6.604 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.796 12.629 7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.394 10.884 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.415 12.336 7.513 1.00 0.00 H new ATOM 630 N ASP A 43 -6.519 11.999 4.150 1.00 0.00 N ATOM 631 CA ASP A 43 -6.254 12.484 2.807 1.00 0.00 C ATOM 632 C ASP A 43 -4.881 11.987 2.351 1.00 0.00 C ATOM 633 O ASP A 43 -3.983 12.785 2.088 1.00 0.00 O ATOM 634 CB ASP A 43 -6.240 14.013 2.766 1.00 0.00 C ATOM 635 CG ASP A 43 -6.595 14.628 1.411 1.00 0.00 C ATOM 636 OD1 ASP A 43 -7.655 14.241 0.873 1.00 0.00 O ATOM 637 OD2 ASP A 43 -5.799 15.470 0.944 1.00 0.00 O ATOM 0 H ASP A 43 -7.206 11.247 4.204 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.043 12.113 2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.940 14.388 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.248 14.360 3.057 1.00 0.00 H new ATOM 642 N LEU A 44 -4.760 10.670 2.272 1.00 0.00 N ATOM 643 CA LEU A 44 -3.512 10.056 1.853 1.00 0.00 C ATOM 644 C LEU A 44 -2.605 9.871 3.071 1.00 0.00 C ATOM 645 O LEU A 44 -1.940 8.845 3.205 1.00 0.00 O ATOM 646 CB LEU A 44 -2.869 10.866 0.725 1.00 0.00 C ATOM 647 CG LEU A 44 -3.824 11.403 -0.343 1.00 0.00 C ATOM 648 CD1 LEU A 44 -3.522 12.869 -0.661 1.00 0.00 C ATOM 649 CD2 LEU A 44 -3.792 10.526 -1.597 1.00 0.00 C ATOM 0 H LEU A 44 -5.507 10.011 2.491 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.696 9.065 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.338 11.709 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.122 10.241 0.235 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.839 11.362 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.215 13.226 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.636 13.468 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.500 12.958 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.479 10.929 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.782 10.513 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.092 9.510 -1.339 1.00 0.00 H new ATOM 661 N LEU A 45 -2.606 10.881 3.929 1.00 0.00 N ATOM 662 CA LEU A 45 -1.792 10.843 5.132 1.00 0.00 C ATOM 663 C LEU A 45 -1.775 9.417 5.686 1.00 0.00 C ATOM 664 O LEU A 45 -0.776 8.980 6.254 1.00 0.00 O ATOM 665 CB LEU A 45 -2.275 11.889 6.139 1.00 0.00 C ATOM 666 CG LEU A 45 -1.279 12.998 6.484 1.00 0.00 C ATOM 667 CD1 LEU A 45 -1.981 14.171 7.170 1.00 0.00 C ATOM 668 CD2 LEU A 45 -0.121 12.453 7.323 1.00 0.00 C ATOM 0 H LEU A 45 -3.158 11.731 3.815 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.760 11.108 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.181 12.351 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.552 11.377 7.061 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.853 13.376 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.251 14.945 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.742 14.579 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.452 13.825 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.573 13.261 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.510 12.032 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.400 11.677 6.763 1.00 0.00 H new ATOM 680 N HIS A 46 -2.894 8.732 5.501 1.00 0.00 N ATOM 681 CA HIS A 46 -3.020 7.364 5.975 1.00 0.00 C ATOM 682 C HIS A 46 -3.556 6.477 4.849 1.00 0.00 C ATOM 683 O HIS A 46 -4.703 6.624 4.431 1.00 0.00 O ATOM 684 CB HIS A 46 -3.882 7.304 7.238 1.00 0.00 C ATOM 685 CG HIS A 46 -3.138 7.644 8.507 1.00 0.00 C ATOM 686 ND1 HIS A 46 -3.258 6.901 9.668 1.00 0.00 N ATOM 687 CD2 HIS A 46 -2.263 8.653 8.784 1.00 0.00 C ATOM 688 CE1 HIS A 46 -2.487 7.448 10.596 1.00 0.00 C ATOM 689 NE2 HIS A 46 -1.871 8.534 10.046 1.00 0.00 N ATOM 0 H HIS A 46 -3.721 9.098 5.030 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.039 6.981 6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.721 7.991 7.126 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.301 6.302 7.332 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.943 9.419 8.093 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.367 7.096 11.610 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.217 9.152 10.526 1.00 0.00 H new ATOM 698 N VAL A 47 -2.699 5.577 4.390 1.00 0.00 N ATOM 699 CA VAL A 47 -3.071 4.667 3.320 1.00 0.00 C ATOM 700 C VAL A 47 -3.037 3.230 3.844 1.00 0.00 C ATOM 701 O VAL A 47 -1.992 2.581 3.818 1.00 0.00 O ATOM 702 CB VAL A 47 -2.162 4.884 2.109 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.438 3.841 1.023 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.313 6.303 1.557 1.00 0.00 C ATOM 0 H VAL A 47 -1.748 5.458 4.739 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.089 4.867 2.985 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.130 4.761 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.779 4.017 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.256 2.843 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.476 3.919 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.656 6.431 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.346 6.467 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.044 7.024 2.329 1.00 0.00 H new ATOM 714 N THR A 48 -4.191 2.775 4.308 1.00 0.00 N ATOM 715 CA THR A 48 -4.306 1.427 4.837 1.00 0.00 C ATOM 716 C THR A 48 -4.414 0.413 3.696 1.00 0.00 C ATOM 717 O THR A 48 -5.511 0.118 3.225 1.00 0.00 O ATOM 718 CB THR A 48 -5.500 1.394 5.793 1.00 0.00 C ATOM 719 OG1 THR A 48 -5.018 2.030 6.974 1.00 0.00 O ATOM 720 CG2 THR A 48 -5.847 -0.024 6.249 1.00 0.00 C ATOM 0 H THR A 48 -5.055 3.316 4.329 1.00 0.00 H new ATOM 0 HA THR A 48 -3.414 1.145 5.397 1.00 0.00 H new ATOM 0 HB THR A 48 -6.367 1.840 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.730 2.053 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.701 0.010 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.096 -0.635 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.992 -0.459 6.766 1.00 0.00 H new ATOM 728 N VAL A 49 -3.260 -0.092 3.285 1.00 0.00 N ATOM 729 CA VAL A 49 -3.210 -1.066 2.208 1.00 0.00 C ATOM 730 C VAL A 49 -3.306 -2.475 2.796 1.00 0.00 C ATOM 731 O VAL A 49 -2.328 -2.996 3.331 1.00 0.00 O ATOM 732 CB VAL A 49 -1.950 -0.853 1.367 1.00 0.00 C ATOM 733 CG1 VAL A 49 -1.946 0.538 0.729 1.00 0.00 C ATOM 734 CG2 VAL A 49 -0.689 -1.076 2.204 1.00 0.00 C ATOM 0 H VAL A 49 -2.352 0.155 3.679 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.058 -0.936 1.536 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.954 -1.590 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.040 0.664 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.819 0.645 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.977 1.297 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.193 -0.918 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.676 -0.373 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.684 -2.096 2.589 1.00 0.00 H new ATOM 744 N TYR A 50 -4.492 -3.052 2.677 1.00 0.00 N ATOM 745 CA TYR A 50 -4.728 -4.391 3.191 1.00 0.00 C ATOM 746 C TYR A 50 -3.980 -5.436 2.360 1.00 0.00 C ATOM 747 O TYR A 50 -3.589 -6.481 2.877 1.00 0.00 O ATOM 748 CB TYR A 50 -6.233 -4.634 3.059 1.00 0.00 C ATOM 749 CG TYR A 50 -7.082 -3.830 4.045 1.00 0.00 C ATOM 750 CD1 TYR A 50 -7.334 -2.494 3.808 1.00 0.00 C ATOM 751 CD2 TYR A 50 -7.595 -4.440 5.171 1.00 0.00 C ATOM 752 CE1 TYR A 50 -8.134 -1.737 4.737 1.00 0.00 C ATOM 753 CE2 TYR A 50 -8.394 -3.683 6.100 1.00 0.00 C ATOM 754 CZ TYR A 50 -8.624 -2.369 5.837 1.00 0.00 C ATOM 755 OH TYR A 50 -9.379 -1.654 6.713 1.00 0.00 O ATOM 0 H TYR A 50 -5.300 -2.617 2.232 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.380 -4.474 4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.543 -4.387 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.433 -5.696 3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.932 -2.016 2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.397 -5.486 5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -8.340 -0.691 4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.801 -4.149 6.985 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.662 -2.234 7.450 1.00 0.00 H new ATOM 765 N LEU A 51 -3.803 -5.117 1.087 1.00 0.00 N ATOM 766 CA LEU A 51 -3.109 -6.016 0.180 1.00 0.00 C ATOM 767 C LEU A 51 -3.783 -7.389 0.214 1.00 0.00 C ATOM 768 O LEU A 51 -3.571 -8.165 1.145 1.00 0.00 O ATOM 769 CB LEU A 51 -1.614 -6.055 0.505 1.00 0.00 C ATOM 770 CG LEU A 51 -0.765 -4.939 -0.107 1.00 0.00 C ATOM 771 CD1 LEU A 51 0.644 -4.932 0.490 1.00 0.00 C ATOM 772 CD2 LEU A 51 -0.741 -5.042 -1.633 1.00 0.00 C ATOM 0 H LEU A 51 -4.128 -4.249 0.662 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.179 -5.653 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.497 -6.021 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.215 -7.013 0.171 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.225 -3.983 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.227 -4.129 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.582 -4.773 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.128 -5.888 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.131 -4.237 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.318 -6.003 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.757 -4.960 -2.019 1.00 0.00 H new ATOM 784 N ASP A 52 -4.580 -7.647 -0.812 1.00 0.00 N ATOM 785 CA ASP A 52 -5.286 -8.914 -0.911 1.00 0.00 C ATOM 786 C ASP A 52 -4.606 -9.791 -1.964 1.00 0.00 C ATOM 787 O ASP A 52 -5.052 -10.906 -2.231 1.00 0.00 O ATOM 788 CB ASP A 52 -6.739 -8.702 -1.339 1.00 0.00 C ATOM 789 CG ASP A 52 -7.594 -9.970 -1.373 1.00 0.00 C ATOM 790 OD1 ASP A 52 -8.036 -10.387 -0.280 1.00 0.00 O ATOM 791 OD2 ASP A 52 -7.788 -10.495 -2.491 1.00 0.00 O ATOM 0 H ASP A 52 -4.753 -7.001 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.264 -9.390 0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.202 -7.988 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.748 -8.249 -2.330 1.00 0.00 H new ATOM 796 N CYS A 53 -3.537 -9.254 -2.535 1.00 0.00 N ATOM 797 CA CYS A 53 -2.791 -9.974 -3.553 1.00 0.00 C ATOM 798 C CYS A 53 -3.758 -10.903 -4.290 1.00 0.00 C ATOM 799 O CYS A 53 -4.886 -10.517 -4.592 1.00 0.00 O ATOM 800 CB CYS A 53 -1.610 -10.739 -2.954 1.00 0.00 C ATOM 801 SG CYS A 53 -0.314 -10.985 -4.223 1.00 0.00 S ATOM 0 H CYS A 53 -3.170 -8.329 -2.312 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.359 -9.266 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.201 -10.188 -2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.946 -11.704 -2.574 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.754 -10.580 -5.377 1.00 0.00 H new ATOM 807 N TYR A 54 -3.281 -12.109 -4.558 1.00 0.00 N ATOM 808 CA TYR A 54 -4.089 -13.096 -5.254 1.00 0.00 C ATOM 809 C TYR A 54 -5.191 -13.642 -4.344 1.00 0.00 C ATOM 810 O TYR A 54 -6.325 -13.830 -4.782 1.00 0.00 O ATOM 811 CB TYR A 54 -3.137 -14.236 -5.622 1.00 0.00 C ATOM 812 CG TYR A 54 -2.826 -14.329 -7.117 1.00 0.00 C ATOM 813 CD1 TYR A 54 -2.253 -13.256 -7.770 1.00 0.00 C ATOM 814 CD2 TYR A 54 -3.118 -15.484 -7.813 1.00 0.00 C ATOM 815 CE1 TYR A 54 -1.960 -13.343 -9.178 1.00 0.00 C ATOM 816 CE2 TYR A 54 -2.824 -15.571 -9.220 1.00 0.00 C ATOM 817 CZ TYR A 54 -2.260 -14.496 -9.833 1.00 0.00 C ATOM 818 OH TYR A 54 -1.983 -14.578 -11.162 1.00 0.00 O ATOM 0 H TYR A 54 -2.345 -12.426 -4.306 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.569 -12.653 -6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.203 -14.107 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.572 -15.180 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.024 -12.352 -7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.567 -16.323 -7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.512 -12.511 -9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.046 -16.470 -9.776 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.249 -15.459 -11.498 1.00 0.00 H new ATOM 828 N ASN A 55 -4.820 -13.881 -3.095 1.00 0.00 N ATOM 829 CA ASN A 55 -5.763 -14.401 -2.120 1.00 0.00 C ATOM 830 C ASN A 55 -5.307 -14.007 -0.714 1.00 0.00 C ATOM 831 O ASN A 55 -5.976 -13.229 -0.036 1.00 0.00 O ATOM 832 CB ASN A 55 -5.835 -15.928 -2.184 1.00 0.00 C ATOM 833 CG ASN A 55 -6.278 -16.399 -3.570 1.00 0.00 C ATOM 834 OD1 ASN A 55 -5.475 -16.716 -4.432 1.00 0.00 O ATOM 835 ND2 ASN A 55 -7.597 -16.427 -3.737 1.00 0.00 N ATOM 0 H ASN A 55 -3.878 -13.724 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.745 -13.984 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.859 -16.352 -1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.533 -16.294 -1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.992 -16.727 -4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.214 -16.148 -2.974 1.00 0.00 H new ATOM 842 N ARG A 56 -4.170 -14.561 -0.319 1.00 0.00 N ATOM 843 CA ARG A 56 -3.617 -14.277 0.994 1.00 0.00 C ATOM 844 C ARG A 56 -2.319 -15.061 1.204 1.00 0.00 C ATOM 845 O ARG A 56 -1.392 -14.573 1.849 1.00 0.00 O ATOM 846 CB ARG A 56 -4.609 -14.641 2.101 1.00 0.00 C ATOM 847 CG ARG A 56 -5.134 -16.067 1.920 1.00 0.00 C ATOM 848 CD ARG A 56 -6.662 -16.100 1.984 1.00 0.00 C ATOM 849 NE ARG A 56 -7.131 -17.493 2.155 1.00 0.00 N ATOM 850 CZ ARG A 56 -7.236 -18.110 3.340 1.00 0.00 C ATOM 851 NH1 ARG A 56 -6.906 -17.461 4.465 1.00 0.00 N ATOM 852 NH2 ARG A 56 -7.671 -19.376 3.400 1.00 0.00 N ATOM 0 H ARG A 56 -3.617 -15.205 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.412 -13.208 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.125 -14.549 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.443 -13.939 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.798 -16.463 0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.720 -16.712 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.013 -15.485 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.082 -15.676 1.072 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.391 -18.016 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.575 -16.497 4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.986 -17.931 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.922 -19.870 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.751 -19.846 4.302 1.00 0.00 H new ATOM 866 N GLU A 57 -2.295 -16.263 0.647 1.00 0.00 N ATOM 867 CA GLU A 57 -1.127 -17.119 0.765 1.00 0.00 C ATOM 868 C GLU A 57 0.088 -16.452 0.116 1.00 0.00 C ATOM 869 O GLU A 57 1.217 -16.907 0.291 1.00 0.00 O ATOM 870 CB GLU A 57 -1.391 -18.495 0.149 1.00 0.00 C ATOM 871 CG GLU A 57 -1.650 -18.382 -1.354 1.00 0.00 C ATOM 872 CD GLU A 57 -1.471 -19.736 -2.045 1.00 0.00 C ATOM 873 OE1 GLU A 57 -2.071 -20.712 -1.544 1.00 0.00 O ATOM 874 OE2 GLU A 57 -0.738 -19.764 -3.057 1.00 0.00 O ATOM 0 H GLU A 57 -3.066 -16.664 0.113 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.914 -17.266 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.536 -19.147 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.250 -18.957 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.661 -18.013 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.967 -17.654 -1.791 1.00 0.00 H new ATOM 881 N GLN A 58 -0.186 -15.384 -0.619 1.00 0.00 N ATOM 882 CA GLN A 58 0.870 -14.650 -1.295 1.00 0.00 C ATOM 883 C GLN A 58 1.115 -13.310 -0.597 1.00 0.00 C ATOM 884 O GLN A 58 2.135 -12.664 -0.829 1.00 0.00 O ATOM 885 CB GLN A 58 0.536 -14.446 -2.774 1.00 0.00 C ATOM 886 CG GLN A 58 1.606 -15.073 -3.669 1.00 0.00 C ATOM 887 CD GLN A 58 2.887 -14.237 -3.661 1.00 0.00 C ATOM 888 OE1 GLN A 58 2.929 -13.122 -3.167 1.00 0.00 O ATOM 889 NE2 GLN A 58 3.927 -14.835 -4.236 1.00 0.00 N ATOM 0 H GLN A 58 -1.124 -15.010 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 58 1.786 -15.238 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.435 -14.890 -2.996 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.456 -13.380 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.825 -16.084 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.229 -15.157 -4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.824 -15.770 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.828 -14.359 -4.282 1.00 0.00 H new ATOM 898 N ILE A 59 0.161 -12.933 0.242 1.00 0.00 N ATOM 899 CA ILE A 59 0.261 -11.682 0.974 1.00 0.00 C ATOM 900 C ILE A 59 1.520 -11.703 1.843 1.00 0.00 C ATOM 901 O ILE A 59 2.348 -10.797 1.764 1.00 0.00 O ATOM 902 CB ILE A 59 -1.025 -11.419 1.761 1.00 0.00 C ATOM 903 CG1 ILE A 59 -1.621 -10.058 1.397 1.00 0.00 C ATOM 904 CG2 ILE A 59 -0.784 -11.555 3.266 1.00 0.00 C ATOM 905 CD1 ILE A 59 -2.309 -10.108 0.031 1.00 0.00 C ATOM 0 H ILE A 59 -0.684 -13.472 0.431 1.00 0.00 H new ATOM 0 HA ILE A 59 0.364 -10.844 0.285 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.757 -12.177 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.339 -9.756 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.834 -9.304 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.713 -11.363 3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.438 -12.564 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.029 -10.835 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.724 -9.128 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.582 -10.386 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.111 -10.845 0.054 1.00 0.00 H new ATOM 917 N ASP A 60 1.626 -12.748 2.651 1.00 0.00 N ATOM 918 CA ASP A 60 2.770 -12.899 3.533 1.00 0.00 C ATOM 919 C ASP A 60 4.042 -12.493 2.786 1.00 0.00 C ATOM 920 O ASP A 60 4.937 -11.878 3.364 1.00 0.00 O ATOM 921 CB ASP A 60 2.930 -14.353 3.984 1.00 0.00 C ATOM 922 CG ASP A 60 4.062 -14.599 4.983 1.00 0.00 C ATOM 923 OD1 ASP A 60 4.081 -13.882 6.007 1.00 0.00 O ATOM 924 OD2 ASP A 60 4.883 -15.498 4.700 1.00 0.00 O ATOM 0 H ASP A 60 0.938 -13.498 2.713 1.00 0.00 H new ATOM 0 HA ASP A 60 2.608 -12.266 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.993 -14.684 4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.101 -14.974 3.104 1.00 0.00 H new ATOM 929 N ARG A 61 4.082 -12.853 1.511 1.00 0.00 N ATOM 930 CA ARG A 61 5.229 -12.533 0.679 1.00 0.00 C ATOM 931 C ARG A 61 5.156 -11.079 0.209 1.00 0.00 C ATOM 932 O ARG A 61 6.169 -10.384 0.170 1.00 0.00 O ATOM 933 CB ARG A 61 5.297 -13.453 -0.542 1.00 0.00 C ATOM 934 CG ARG A 61 5.200 -14.923 -0.127 1.00 0.00 C ATOM 935 CD ARG A 61 5.321 -15.845 -1.342 1.00 0.00 C ATOM 936 NE ARG A 61 6.624 -16.547 -1.317 1.00 0.00 N ATOM 937 CZ ARG A 61 7.213 -17.076 -2.398 1.00 0.00 C ATOM 938 NH1 ARG A 61 6.619 -16.987 -3.596 1.00 0.00 N ATOM 939 NH2 ARG A 61 8.396 -17.695 -2.281 1.00 0.00 N ATOM 0 H ARG A 61 3.338 -13.363 1.034 1.00 0.00 H new ATOM 0 HA ARG A 61 6.126 -12.679 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.486 -13.211 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.231 -13.284 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.988 -15.155 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.249 -15.101 0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.508 -16.571 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.229 -15.265 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 61 7.103 -16.633 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.718 -16.516 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.068 -17.390 -4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.848 -17.763 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.844 -18.098 -3.104 1.00 0.00 H new ATOM 953 N VAL A 62 3.946 -10.662 -0.135 1.00 0.00 N ATOM 954 CA VAL A 62 3.727 -9.303 -0.601 1.00 0.00 C ATOM 955 C VAL A 62 4.027 -8.325 0.537 1.00 0.00 C ATOM 956 O VAL A 62 4.957 -7.525 0.444 1.00 0.00 O ATOM 957 CB VAL A 62 2.307 -9.161 -1.153 1.00 0.00 C ATOM 958 CG1 VAL A 62 2.120 -7.809 -1.843 1.00 0.00 C ATOM 959 CG2 VAL A 62 1.971 -10.313 -2.103 1.00 0.00 C ATOM 0 H VAL A 62 3.107 -11.241 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 62 4.405 -9.066 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 62 1.614 -9.207 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.102 -7.734 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.298 -7.007 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.826 -7.721 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.956 -10.188 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.672 -10.313 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.045 -11.260 -1.568 1.00 0.00 H new ATOM 969 N VAL A 63 3.221 -8.420 1.584 1.00 0.00 N ATOM 970 CA VAL A 63 3.388 -7.553 2.738 1.00 0.00 C ATOM 971 C VAL A 63 4.860 -7.545 3.155 1.00 0.00 C ATOM 972 O VAL A 63 5.426 -6.487 3.426 1.00 0.00 O ATOM 973 CB VAL A 63 2.450 -7.994 3.864 1.00 0.00 C ATOM 974 CG1 VAL A 63 2.695 -7.176 5.133 1.00 0.00 C ATOM 975 CG2 VAL A 63 0.987 -7.902 3.426 1.00 0.00 C ATOM 0 H VAL A 63 2.450 -9.084 1.657 1.00 0.00 H new ATOM 0 HA VAL A 63 3.115 -6.528 2.488 1.00 0.00 H new ATOM 0 HB VAL A 63 2.667 -9.038 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.016 -7.509 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.725 -7.314 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.519 -6.121 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.341 -8.221 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.751 -6.872 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.824 -8.547 2.563 1.00 0.00 H new ATOM 985 N GLY A 64 5.438 -8.737 3.195 1.00 0.00 N ATOM 986 CA GLY A 64 6.833 -8.880 3.574 1.00 0.00 C ATOM 987 C GLY A 64 7.742 -8.093 2.628 1.00 0.00 C ATOM 988 O GLY A 64 8.762 -7.550 3.050 1.00 0.00 O ATOM 0 H GLY A 64 4.965 -9.613 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.974 -8.528 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.111 -9.934 3.559 1.00 0.00 H new ATOM 992 N ALA A 65 7.339 -8.056 1.367 1.00 0.00 N ATOM 993 CA ALA A 65 8.105 -7.344 0.358 1.00 0.00 C ATOM 994 C ALA A 65 7.853 -5.842 0.498 1.00 0.00 C ATOM 995 O ALA A 65 8.776 -5.039 0.366 1.00 0.00 O ATOM 996 CB ALA A 65 7.734 -7.870 -1.030 1.00 0.00 C ATOM 0 H ALA A 65 6.492 -8.507 1.021 1.00 0.00 H new ATOM 0 HA ALA A 65 9.173 -7.514 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.308 -7.336 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.959 -8.935 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.670 -7.714 -1.206 1.00 0.00 H new ATOM 1002 N PHE A 66 6.599 -5.506 0.763 1.00 0.00 N ATOM 1003 CA PHE A 66 6.214 -4.114 0.923 1.00 0.00 C ATOM 1004 C PHE A 66 7.046 -3.437 2.014 1.00 0.00 C ATOM 1005 O PHE A 66 7.187 -2.215 2.023 1.00 0.00 O ATOM 1006 CB PHE A 66 4.742 -4.102 1.339 1.00 0.00 C ATOM 1007 CG PHE A 66 3.770 -3.861 0.183 1.00 0.00 C ATOM 1008 CD1 PHE A 66 3.429 -4.886 -0.644 1.00 0.00 C ATOM 1009 CD2 PHE A 66 3.247 -2.622 -0.019 1.00 0.00 C ATOM 1010 CE1 PHE A 66 2.527 -4.662 -1.717 1.00 0.00 C ATOM 1011 CE2 PHE A 66 2.345 -2.398 -1.093 1.00 0.00 C ATOM 1012 CZ PHE A 66 2.004 -3.423 -1.919 1.00 0.00 C ATOM 0 H PHE A 66 5.836 -6.174 0.871 1.00 0.00 H new ATOM 0 HA PHE A 66 6.378 -3.573 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.501 -5.055 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.594 -3.328 2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.844 -5.870 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.518 -1.808 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.256 -5.476 -2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.930 -1.414 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.318 -3.253 -2.735 1.00 0.00 H new ATOM 1022 N ASN A 67 7.577 -4.261 2.906 1.00 0.00 N ATOM 1023 CA ASN A 67 8.391 -3.756 3.998 1.00 0.00 C ATOM 1024 C ASN A 67 9.689 -3.175 3.435 1.00 0.00 C ATOM 1025 O ASN A 67 10.157 -2.134 3.893 1.00 0.00 O ATOM 1026 CB ASN A 67 8.759 -4.876 4.974 1.00 0.00 C ATOM 1027 CG ASN A 67 8.358 -4.512 6.404 1.00 0.00 C ATOM 1028 OD1 ASN A 67 8.249 -3.353 6.770 1.00 0.00 O ATOM 1029 ND2 ASN A 67 8.145 -5.563 7.191 1.00 0.00 N ATOM 0 H ASN A 67 7.459 -5.274 2.894 1.00 0.00 H new ATOM 0 HA ASN A 67 7.815 -2.994 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.262 -5.799 4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.832 -5.063 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.873 -5.425 8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.254 -6.507 6.821 1.00 0.00 H new ATOM 1036 N GLN A 68 10.234 -3.873 2.449 1.00 0.00 N ATOM 1037 CA GLN A 68 11.469 -3.438 1.818 1.00 0.00 C ATOM 1038 C GLN A 68 11.194 -2.284 0.853 1.00 0.00 C ATOM 1039 O GLN A 68 12.123 -1.630 0.381 1.00 0.00 O ATOM 1040 CB GLN A 68 12.156 -4.602 1.100 1.00 0.00 C ATOM 1041 CG GLN A 68 12.540 -5.705 2.088 1.00 0.00 C ATOM 1042 CD GLN A 68 13.794 -6.447 1.621 1.00 0.00 C ATOM 1043 OE1 GLN A 68 14.685 -5.886 1.005 1.00 0.00 O ATOM 1044 NE2 GLN A 68 13.813 -7.736 1.947 1.00 0.00 N ATOM 0 H GLN A 68 9.843 -4.736 2.072 1.00 0.00 H new ATOM 0 HA GLN A 68 12.146 -3.082 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.491 -5.007 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.048 -4.242 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 68 12.715 -5.271 3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.714 -6.409 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.034 -8.143 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.607 -8.318 1.680 1.00 0.00 H new ATOM 1053 N ALA A 69 9.914 -2.068 0.588 1.00 0.00 N ATOM 1054 CA ALA A 69 9.505 -1.003 -0.313 1.00 0.00 C ATOM 1055 C ALA A 69 9.618 0.341 0.409 1.00 0.00 C ATOM 1056 O ALA A 69 10.523 1.126 0.129 1.00 0.00 O ATOM 1057 CB ALA A 69 8.087 -1.277 -0.817 1.00 0.00 C ATOM 0 H ALA A 69 9.146 -2.612 0.981 1.00 0.00 H new ATOM 0 HA ALA A 69 10.159 -0.965 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.780 -0.478 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.067 -2.229 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.402 -1.319 0.030 1.00 0.00 H new ATOM 1063 N LYS A 70 8.687 0.565 1.324 1.00 0.00 N ATOM 1064 CA LYS A 70 8.670 1.801 2.088 1.00 0.00 C ATOM 1065 C LYS A 70 9.172 2.947 1.207 1.00 0.00 C ATOM 1066 O LYS A 70 8.376 3.692 0.638 1.00 0.00 O ATOM 1067 CB LYS A 70 9.456 1.636 3.390 1.00 0.00 C ATOM 1068 CG LYS A 70 8.519 1.332 4.561 1.00 0.00 C ATOM 1069 CD LYS A 70 9.073 1.900 5.869 1.00 0.00 C ATOM 1070 CE LYS A 70 9.766 0.811 6.691 1.00 0.00 C ATOM 1071 NZ LYS A 70 8.770 -0.141 7.233 1.00 0.00 N ATOM 0 H LYS A 70 7.938 -0.089 1.554 1.00 0.00 H new ATOM 0 HA LYS A 70 7.652 2.051 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.182 0.830 3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.019 2.546 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.535 1.757 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.387 0.254 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.780 2.701 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.263 2.339 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.485 0.279 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.326 1.265 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.854 -0.179 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.813 0.173 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.943 -1.087 6.837 1.00 0.00 H new ATOM 1085 N GLY A 71 10.490 3.052 1.123 1.00 0.00 N ATOM 1086 CA GLY A 71 11.108 4.094 0.321 1.00 0.00 C ATOM 1087 C GLY A 71 10.158 4.577 -0.776 1.00 0.00 C ATOM 1088 O GLY A 71 9.734 5.732 -0.771 1.00 0.00 O ATOM 0 H GLY A 71 11.147 2.433 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.388 4.932 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.026 3.716 -0.129 1.00 0.00 H new ATOM 1092 N VAL A 72 9.852 3.670 -1.692 1.00 0.00 N ATOM 1093 CA VAL A 72 8.960 3.989 -2.793 1.00 0.00 C ATOM 1094 C VAL A 72 7.536 4.152 -2.260 1.00 0.00 C ATOM 1095 O VAL A 72 6.803 5.038 -2.696 1.00 0.00 O ATOM 1096 CB VAL A 72 9.072 2.921 -3.883 1.00 0.00 C ATOM 1097 CG1 VAL A 72 10.372 3.079 -4.675 1.00 0.00 C ATOM 1098 CG2 VAL A 72 8.960 1.516 -3.288 1.00 0.00 C ATOM 0 H VAL A 72 10.206 2.714 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 72 9.245 4.935 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 72 8.240 3.060 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.426 2.307 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.394 4.062 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.223 2.980 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.043 0.776 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.761 1.362 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.996 1.407 -2.790 1.00 0.00 H new ATOM 1108 N PHE A 73 7.186 3.282 -1.323 1.00 0.00 N ATOM 1109 CA PHE A 73 5.862 3.318 -0.726 1.00 0.00 C ATOM 1110 C PHE A 73 5.776 4.402 0.351 1.00 0.00 C ATOM 1111 O PHE A 73 5.137 4.208 1.383 1.00 0.00 O ATOM 1112 CB PHE A 73 5.626 1.953 -0.077 1.00 0.00 C ATOM 1113 CG PHE A 73 5.669 0.781 -1.060 1.00 0.00 C ATOM 1114 CD1 PHE A 73 5.956 1.003 -2.371 1.00 0.00 C ATOM 1115 CD2 PHE A 73 5.420 -0.482 -0.623 1.00 0.00 C ATOM 1116 CE1 PHE A 73 5.995 -0.084 -3.283 1.00 0.00 C ATOM 1117 CE2 PHE A 73 5.459 -1.570 -1.536 1.00 0.00 C ATOM 1118 CZ PHE A 73 5.746 -1.348 -2.846 1.00 0.00 C ATOM 0 H PHE A 73 7.796 2.548 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 73 5.116 3.540 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.379 1.794 0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.656 1.961 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.154 2.006 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.193 -0.658 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.222 0.092 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.261 -2.573 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.776 -2.175 -3.540 1.00 0.00 H new ATOM 1128 N SER A 74 6.428 5.521 0.072 1.00 0.00 N ATOM 1129 CA SER A 74 6.433 6.637 1.003 1.00 0.00 C ATOM 1130 C SER A 74 6.900 7.909 0.293 1.00 0.00 C ATOM 1131 O SER A 74 6.388 8.995 0.557 1.00 0.00 O ATOM 1132 CB SER A 74 7.328 6.343 2.209 1.00 0.00 C ATOM 1133 OG SER A 74 7.178 7.321 3.235 1.00 0.00 O ATOM 0 H SER A 74 6.957 5.679 -0.786 1.00 0.00 H new ATOM 0 HA SER A 74 5.416 6.784 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.086 5.358 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.369 6.310 1.889 1.00 0.00 H new ATOM 0 HG SER A 74 7.764 7.098 3.988 1.00 0.00 H new ATOM 1139 N ARG A 75 7.868 7.732 -0.595 1.00 0.00 N ATOM 1140 CA ARG A 75 8.410 8.852 -1.345 1.00 0.00 C ATOM 1141 C ARG A 75 7.421 9.296 -2.425 1.00 0.00 C ATOM 1142 O ARG A 75 7.438 10.449 -2.851 1.00 0.00 O ATOM 1143 CB ARG A 75 9.741 8.483 -2.002 1.00 0.00 C ATOM 1144 CG ARG A 75 10.679 9.690 -2.057 1.00 0.00 C ATOM 1145 CD ARG A 75 12.142 9.245 -2.107 1.00 0.00 C ATOM 1146 NE ARG A 75 12.723 9.561 -3.431 1.00 0.00 N ATOM 1147 CZ ARG A 75 13.258 10.746 -3.754 1.00 0.00 C ATOM 1148 NH1 ARG A 75 13.290 11.735 -2.850 1.00 0.00 N ATOM 1149 NH2 ARG A 75 13.761 10.942 -4.980 1.00 0.00 N ATOM 0 H ARG A 75 8.291 6.829 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 75 8.579 9.669 -0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.214 7.675 -1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.562 8.111 -3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.449 10.294 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.517 10.321 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.710 9.746 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.212 8.174 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 75 12.716 8.830 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.907 11.585 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.697 12.637 -3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.737 10.189 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.168 11.844 -5.226 1.00 0.00 H new ATOM 1163 N VAL A 76 6.582 8.356 -2.836 1.00 0.00 N ATOM 1164 CA VAL A 76 5.588 8.636 -3.858 1.00 0.00 C ATOM 1165 C VAL A 76 4.733 9.827 -3.420 1.00 0.00 C ATOM 1166 O VAL A 76 4.602 10.805 -4.153 1.00 0.00 O ATOM 1167 CB VAL A 76 4.762 7.380 -4.142 1.00 0.00 C ATOM 1168 CG1 VAL A 76 3.570 7.700 -5.046 1.00 0.00 C ATOM 1169 CG2 VAL A 76 5.632 6.279 -4.752 1.00 0.00 C ATOM 0 H VAL A 76 6.570 7.400 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 76 6.071 8.910 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 76 4.373 7.013 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.000 6.790 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.930 8.436 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.929 8.103 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.021 5.397 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.063 6.633 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.432 6.022 -4.058 1.00 0.00 H new ATOM 1179 N LEU A 77 4.172 9.704 -2.225 1.00 0.00 N ATOM 1180 CA LEU A 77 3.334 10.758 -1.680 1.00 0.00 C ATOM 1181 C LEU A 77 4.208 11.954 -1.298 1.00 0.00 C ATOM 1182 O LEU A 77 3.766 13.099 -1.371 1.00 0.00 O ATOM 1183 CB LEU A 77 2.484 10.224 -0.526 1.00 0.00 C ATOM 1184 CG LEU A 77 1.872 8.836 -0.729 1.00 0.00 C ATOM 1185 CD1 LEU A 77 2.634 7.778 0.072 1.00 0.00 C ATOM 1186 CD2 LEU A 77 0.379 8.841 -0.397 1.00 0.00 C ATOM 0 H LEU A 77 4.282 8.890 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 77 2.626 11.108 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.101 10.199 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.676 10.931 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 77 1.966 8.572 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.179 6.801 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.673 7.753 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.594 8.026 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.031 7.843 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.239 9.136 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.136 9.548 -1.047 1.00 0.00 H new ATOM 1198 N ALA A 78 5.434 11.646 -0.899 1.00 0.00 N ATOM 1199 CA ALA A 78 6.374 12.681 -0.505 1.00 0.00 C ATOM 1200 C ALA A 78 6.343 13.812 -1.536 1.00 0.00 C ATOM 1201 O ALA A 78 6.361 14.987 -1.174 1.00 0.00 O ATOM 1202 CB ALA A 78 7.769 12.072 -0.351 1.00 0.00 C ATOM 0 H ALA A 78 5.797 10.695 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 78 6.095 13.106 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.474 12.849 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.744 11.294 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.084 11.638 -1.300 1.00 0.00 H new ATOM 1208 N HIS A 79 6.296 13.416 -2.799 1.00 0.00 N ATOM 1209 CA HIS A 79 6.262 14.382 -3.885 1.00 0.00 C ATOM 1210 C HIS A 79 5.370 15.562 -3.494 1.00 0.00 C ATOM 1211 O HIS A 79 5.597 16.688 -3.934 1.00 0.00 O ATOM 1212 CB HIS A 79 5.824 13.716 -5.191 1.00 0.00 C ATOM 1213 CG HIS A 79 6.396 14.360 -6.431 1.00 0.00 C ATOM 1214 ND1 HIS A 79 7.694 14.835 -6.498 1.00 0.00 N ATOM 1215 CD2 HIS A 79 5.834 14.602 -7.650 1.00 0.00 C ATOM 1216 CE1 HIS A 79 7.893 15.339 -7.707 1.00 0.00 C ATOM 1217 NE2 HIS A 79 6.739 15.194 -8.419 1.00 0.00 N ATOM 0 H HIS A 79 6.281 12.440 -3.095 1.00 0.00 H new ATOM 0 HA HIS A 79 7.265 14.771 -4.062 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.120 12.667 -5.169 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.736 13.739 -5.251 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.824 14.354 -7.940 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.808 15.786 -8.066 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.595 15.492 -9.384 1.00 0.00 H new ATOM 1226 N ASN A 80 4.376 15.264 -2.671 1.00 0.00 N ATOM 1227 CA ASN A 80 3.449 16.287 -2.216 1.00 0.00 C ATOM 1228 C ASN A 80 3.641 16.511 -0.714 1.00 0.00 C ATOM 1229 O ASN A 80 4.178 17.537 -0.300 1.00 0.00 O ATOM 1230 CB ASN A 80 1.999 15.859 -2.448 1.00 0.00 C ATOM 1231 CG ASN A 80 1.675 15.809 -3.943 1.00 0.00 C ATOM 1232 OD1 ASN A 80 0.842 16.542 -4.449 1.00 0.00 O ATOM 1233 ND2 ASN A 80 2.378 14.905 -4.618 1.00 0.00 N ATOM 0 H ASN A 80 4.192 14.329 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 80 3.650 17.199 -2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.830 14.879 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.326 16.556 -1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.235 14.793 -5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.060 14.323 -4.132 1.00 0.00 H new ATOM 1240 N LEU A 81 3.192 15.533 0.059 1.00 0.00 N ATOM 1241 CA LEU A 81 3.307 15.611 1.506 1.00 0.00 C ATOM 1242 C LEU A 81 4.470 14.730 1.968 1.00 0.00 C ATOM 1243 O LEU A 81 4.429 13.511 1.814 1.00 0.00 O ATOM 1244 CB LEU A 81 1.973 15.265 2.169 1.00 0.00 C ATOM 1245 CG LEU A 81 0.740 15.972 1.604 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -0.534 15.506 2.313 1.00 0.00 C ATOM 1247 CD2 LEU A 81 0.904 17.492 1.663 1.00 0.00 C ATOM 0 H LEU A 81 2.748 14.683 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 81 3.535 16.631 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.819 14.189 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.046 15.499 3.231 1.00 0.00 H new ATOM 0 HG LEU A 81 0.642 15.698 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.395 16.025 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.655 14.431 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.461 15.730 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.013 17.970 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.041 17.803 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.775 17.787 1.077 1.00 0.00 H new ATOM 1259 N TYR A 82 5.479 15.383 2.525 1.00 0.00 N ATOM 1260 CA TYR A 82 6.651 14.675 3.011 1.00 0.00 C ATOM 1261 C TYR A 82 6.764 14.780 4.533 1.00 0.00 C ATOM 1262 O TYR A 82 6.123 15.630 5.149 1.00 0.00 O ATOM 1263 CB TYR A 82 7.857 15.367 2.373 1.00 0.00 C ATOM 1264 CG TYR A 82 8.096 16.791 2.879 1.00 0.00 C ATOM 1265 CD1 TYR A 82 8.866 17.004 4.005 1.00 0.00 C ATOM 1266 CD2 TYR A 82 7.542 17.863 2.209 1.00 0.00 C ATOM 1267 CE1 TYR A 82 9.090 18.344 4.481 1.00 0.00 C ATOM 1268 CE2 TYR A 82 7.767 19.204 2.685 1.00 0.00 C ATOM 1269 CZ TYR A 82 8.530 19.378 3.797 1.00 0.00 C ATOM 1270 OH TYR A 82 8.742 20.644 4.246 1.00 0.00 O ATOM 0 H TYR A 82 5.509 16.395 2.651 1.00 0.00 H new ATOM 0 HA TYR A 82 6.593 13.617 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.749 14.770 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.717 15.395 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.300 16.165 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.940 17.697 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.689 18.524 5.361 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.339 20.052 2.170 1.00 0.00 H new ATOM 0 HH TYR A 82 8.283 21.280 3.659 1.00 0.00 H new ATOM 1280 N LEU A 83 7.584 13.904 5.096 1.00 0.00 N ATOM 1281 CA LEU A 83 7.789 13.888 6.534 1.00 0.00 C ATOM 1282 C LEU A 83 6.780 12.934 7.178 1.00 0.00 C ATOM 1283 O LEU A 83 5.647 12.817 6.713 1.00 0.00 O ATOM 1284 CB LEU A 83 7.738 15.309 7.099 1.00 0.00 C ATOM 1285 CG LEU A 83 8.695 15.606 8.255 1.00 0.00 C ATOM 1286 CD1 LEU A 83 8.588 17.068 8.694 1.00 0.00 C ATOM 1287 CD2 LEU A 83 8.465 14.640 9.419 1.00 0.00 C ATOM 0 H LEU A 83 8.114 13.200 4.582 1.00 0.00 H new ATOM 0 HA LEU A 83 8.783 13.511 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.949 16.008 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.721 15.509 7.435 1.00 0.00 H new ATOM 0 HG LEU A 83 9.715 15.449 7.903 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.279 17.252 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.840 17.719 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.569 17.276 9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.158 14.873 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.441 14.741 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.632 13.617 9.081 1.00 0.00 H new ATOM 1299 N ALA A 84 7.228 12.278 8.238 1.00 0.00 N ATOM 1300 CA ALA A 84 6.379 11.339 8.951 1.00 0.00 C ATOM 1301 C ALA A 84 4.954 11.892 9.014 1.00 0.00 C ATOM 1302 O ALA A 84 4.021 11.275 8.503 1.00 0.00 O ATOM 1303 CB ALA A 84 6.963 11.073 10.340 1.00 0.00 C ATOM 0 H ALA A 84 8.168 12.378 8.621 1.00 0.00 H new ATOM 0 HA ALA A 84 6.339 10.384 8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.325 10.369 10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.964 10.653 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.017 12.008 10.897 1.00 0.00 H new ATOM 1309 N LYS A 85 4.831 13.051 9.645 1.00 0.00 N ATOM 1310 CA LYS A 85 3.535 13.695 9.782 1.00 0.00 C ATOM 1311 C LYS A 85 3.090 14.229 8.419 1.00 0.00 C ATOM 1312 O LYS A 85 2.845 15.425 8.267 1.00 0.00 O ATOM 1313 CB LYS A 85 3.581 14.763 10.877 1.00 0.00 C ATOM 1314 CG LYS A 85 3.975 14.152 12.223 1.00 0.00 C ATOM 1315 CD LYS A 85 4.949 15.062 12.974 1.00 0.00 C ATOM 1316 CE LYS A 85 6.399 14.713 12.633 1.00 0.00 C ATOM 1317 NZ LYS A 85 7.295 15.845 12.959 1.00 0.00 N ATOM 0 H LYS A 85 5.607 13.561 10.067 1.00 0.00 H new ATOM 0 HA LYS A 85 2.783 12.975 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.295 15.539 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.606 15.243 10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.083 13.990 12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.433 13.176 12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.752 16.103 12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.790 14.963 14.048 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.706 13.827 13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.481 14.470 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.275 15.591 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.011 16.682 12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.229 16.059 13.975 1.00 0.00 H new ATOM 1331 N ALA A 86 2.998 13.317 7.463 1.00 0.00 N ATOM 1332 CA ALA A 86 2.587 13.681 6.118 1.00 0.00 C ATOM 1333 C ALA A 86 2.092 12.433 5.385 1.00 0.00 C ATOM 1334 O ALA A 86 0.953 12.391 4.922 1.00 0.00 O ATOM 1335 CB ALA A 86 3.751 14.360 5.394 1.00 0.00 C ATOM 0 H ALA A 86 3.201 12.326 7.593 1.00 0.00 H new ATOM 0 HA ALA A 86 1.763 14.394 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.442 14.633 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.045 15.257 5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.597 13.674 5.342 1.00 0.00 H new ATOM 1341 N VAL A 87 2.972 11.446 5.302 1.00 0.00 N ATOM 1342 CA VAL A 87 2.639 10.200 4.633 1.00 0.00 C ATOM 1343 C VAL A 87 3.587 9.099 5.113 1.00 0.00 C ATOM 1344 O VAL A 87 4.382 9.315 6.026 1.00 0.00 O ATOM 1345 CB VAL A 87 2.670 10.396 3.116 1.00 0.00 C ATOM 1346 CG1 VAL A 87 1.606 11.402 2.671 1.00 0.00 C ATOM 1347 CG2 VAL A 87 4.061 10.827 2.647 1.00 0.00 C ATOM 0 H VAL A 87 3.916 11.484 5.687 1.00 0.00 H new ATOM 0 HA VAL A 87 1.625 9.890 4.887 1.00 0.00 H new ATOM 0 HB VAL A 87 2.441 9.438 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.650 11.523 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.619 11.038 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.791 12.363 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.055 10.959 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.331 11.768 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.789 10.061 2.915 1.00 0.00 H new ATOM 1357 N GLN A 88 3.471 7.944 4.476 1.00 0.00 N ATOM 1358 CA GLN A 88 4.307 6.809 4.826 1.00 0.00 C ATOM 1359 C GLN A 88 3.656 5.505 4.361 1.00 0.00 C ATOM 1360 O GLN A 88 4.335 4.494 4.189 1.00 0.00 O ATOM 1361 CB GLN A 88 4.585 6.776 6.330 1.00 0.00 C ATOM 1362 CG GLN A 88 5.985 7.310 6.641 1.00 0.00 C ATOM 1363 CD GLN A 88 6.804 6.282 7.423 1.00 0.00 C ATOM 1364 OE1 GLN A 88 6.827 5.102 7.112 1.00 0.00 O ATOM 1365 NE2 GLN A 88 7.472 6.792 8.454 1.00 0.00 N ATOM 0 H GLN A 88 2.810 7.769 3.719 1.00 0.00 H new ATOM 0 HA GLN A 88 5.263 6.917 4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.839 7.373 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.491 5.754 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.498 7.558 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.906 8.232 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.409 7.789 8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.047 6.186 9.039 1.00 0.00 H new ATOM 1374 N ILE A 89 2.346 5.571 4.169 1.00 0.00 N ATOM 1375 CA ILE A 89 1.595 4.408 3.727 1.00 0.00 C ATOM 1376 C ILE A 89 1.538 3.382 4.860 1.00 0.00 C ATOM 1377 O ILE A 89 2.571 2.989 5.399 1.00 0.00 O ATOM 1378 CB ILE A 89 2.181 3.855 2.426 1.00 0.00 C ATOM 1379 CG1 ILE A 89 1.477 4.458 1.208 1.00 0.00 C ATOM 1380 CG2 ILE A 89 2.141 2.326 2.412 1.00 0.00 C ATOM 1381 CD1 ILE A 89 2.284 4.215 -0.068 1.00 0.00 C ATOM 0 H ILE A 89 1.786 6.412 4.311 1.00 0.00 H new ATOM 0 HA ILE A 89 0.567 4.684 3.495 1.00 0.00 H new ATOM 0 HB ILE A 89 3.229 4.150 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.484 4.020 1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.339 5.529 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.563 1.960 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.723 1.939 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.108 1.988 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.761 4.654 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.267 4.675 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.399 3.143 -0.227 1.00 0.00 H new ATOM 1393 N HIS A 90 0.320 2.977 5.188 1.00 0.00 N ATOM 1394 CA HIS A 90 0.114 2.004 6.247 1.00 0.00 C ATOM 1395 C HIS A 90 -0.063 0.612 5.638 1.00 0.00 C ATOM 1396 O HIS A 90 -0.674 0.466 4.580 1.00 0.00 O ATOM 1397 CB HIS A 90 -1.058 2.414 7.141 1.00 0.00 C ATOM 1398 CG HIS A 90 -1.009 1.820 8.528 1.00 0.00 C ATOM 1399 ND1 HIS A 90 -1.133 2.584 9.676 1.00 0.00 N ATOM 1400 CD2 HIS A 90 -0.850 0.529 8.940 1.00 0.00 C ATOM 1401 CE1 HIS A 90 -1.049 1.779 10.725 1.00 0.00 C ATOM 1402 NE2 HIS A 90 -0.873 0.506 10.267 1.00 0.00 N ATOM 0 H HIS A 90 -0.535 3.305 4.739 1.00 0.00 H new ATOM 0 HA HIS A 90 0.993 1.971 6.891 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.077 3.501 7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -1.990 2.114 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.726 -0.329 8.296 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.109 2.078 11.761 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -0.775 -0.326 10.848 1.00 0.00 H new ATOM 1411 N PHE A 91 0.482 -0.376 6.332 1.00 0.00 N ATOM 1412 CA PHE A 91 0.392 -1.752 5.873 1.00 0.00 C ATOM 1413 C PHE A 91 -0.663 -2.527 6.666 1.00 0.00 C ATOM 1414 O PHE A 91 -0.673 -2.487 7.895 1.00 0.00 O ATOM 1415 CB PHE A 91 1.761 -2.393 6.107 1.00 0.00 C ATOM 1416 CG PHE A 91 1.930 -3.011 7.496 1.00 0.00 C ATOM 1417 CD1 PHE A 91 1.255 -4.145 7.822 1.00 0.00 C ATOM 1418 CD2 PHE A 91 2.755 -2.425 8.405 1.00 0.00 C ATOM 1419 CE1 PHE A 91 1.411 -4.719 9.112 1.00 0.00 C ATOM 1420 CE2 PHE A 91 2.911 -2.999 9.695 1.00 0.00 C ATOM 1421 CZ PHE A 91 2.236 -4.133 10.021 1.00 0.00 C ATOM 0 H PHE A 91 0.988 -0.251 7.209 1.00 0.00 H new ATOM 0 HA PHE A 91 0.107 -1.775 4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 91 1.922 -3.165 5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.534 -1.639 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.600 -4.610 7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.291 -1.524 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.875 -5.620 9.371 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.566 -2.534 10.417 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.355 -4.569 11.002 1.00 0.00 H new ATOM 1431 N VAL A 92 -1.524 -3.213 5.930 1.00 0.00 N ATOM 1432 CA VAL A 92 -2.580 -3.996 6.549 1.00 0.00 C ATOM 1433 C VAL A 92 -2.622 -5.385 5.909 1.00 0.00 C ATOM 1434 O VAL A 92 -2.055 -5.596 4.838 1.00 0.00 O ATOM 1435 CB VAL A 92 -3.913 -3.250 6.447 1.00 0.00 C ATOM 1436 CG1 VAL A 92 -5.088 -4.185 6.739 1.00 0.00 C ATOM 1437 CG2 VAL A 92 -3.934 -2.036 7.377 1.00 0.00 C ATOM 0 H VAL A 92 -1.512 -3.243 4.911 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.380 -4.134 7.612 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.018 -2.890 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.023 -3.630 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.090 -5.003 6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.990 -4.589 7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.892 -1.524 7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.795 -2.364 8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.130 -1.353 7.102 1.00 0.00 H new ATOM 1447 N LYS A 93 -3.300 -6.296 6.592 1.00 0.00 N ATOM 1448 CA LYS A 93 -3.423 -7.659 6.103 1.00 0.00 C ATOM 1449 C LYS A 93 -4.617 -8.333 6.781 1.00 0.00 C ATOM 1450 O LYS A 93 -5.495 -8.872 6.108 1.00 0.00 O ATOM 1451 CB LYS A 93 -2.105 -8.414 6.285 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.339 -7.896 7.504 1.00 0.00 C ATOM 1453 CD LYS A 93 -0.577 -9.028 8.196 1.00 0.00 C ATOM 1454 CE LYS A 93 0.825 -8.574 8.607 1.00 0.00 C ATOM 1455 NZ LYS A 93 0.921 -8.461 10.080 1.00 0.00 N ATOM 0 H LYS A 93 -3.770 -6.117 7.480 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.620 -7.663 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.305 -9.479 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.491 -8.302 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.640 -7.118 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.035 -7.438 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.129 -9.358 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.504 -9.885 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.566 -9.285 8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.052 -7.612 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.879 -8.152 10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.227 -7.765 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.725 -9.386 10.513 1.00 0.00 H new ATOM 1469 N ASP A 94 -4.612 -8.282 8.105 1.00 0.00 N ATOM 1470 CA ASP A 94 -5.684 -8.881 8.881 1.00 0.00 C ATOM 1471 C ASP A 94 -6.469 -7.778 9.594 1.00 0.00 C ATOM 1472 O ASP A 94 -7.557 -8.023 10.114 1.00 0.00 O ATOM 1473 CB ASP A 94 -5.129 -9.830 9.946 1.00 0.00 C ATOM 1474 CG ASP A 94 -6.111 -10.894 10.438 1.00 0.00 C ATOM 1475 OD1 ASP A 94 -7.008 -11.250 9.644 1.00 0.00 O ATOM 1476 OD2 ASP A 94 -5.943 -11.328 11.598 1.00 0.00 O ATOM 0 H ASP A 94 -3.882 -7.835 8.660 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.324 -9.440 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.248 -10.329 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.798 -9.240 10.800 1.00 0.00 H new ATOM 1481 N LYS A 95 -5.888 -6.588 9.596 1.00 0.00 N ATOM 1482 CA LYS A 95 -6.520 -5.447 10.236 1.00 0.00 C ATOM 1483 C LYS A 95 -7.174 -5.899 11.543 1.00 0.00 C ATOM 1484 O LYS A 95 -8.355 -5.641 11.772 1.00 0.00 O ATOM 1485 CB LYS A 95 -7.486 -4.758 9.270 1.00 0.00 C ATOM 1486 CG LYS A 95 -8.027 -3.459 9.870 1.00 0.00 C ATOM 1487 CD LYS A 95 -6.975 -2.350 9.815 1.00 0.00 C ATOM 1488 CE LYS A 95 -6.590 -1.889 11.222 1.00 0.00 C ATOM 1489 NZ LYS A 95 -5.250 -2.400 11.587 1.00 0.00 N ATOM 0 H LYS A 95 -4.986 -6.389 9.164 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.775 -4.694 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -6.976 -4.544 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.314 -5.428 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.919 -3.147 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.327 -3.629 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.089 -2.710 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.361 -1.505 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.595 -0.800 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.329 -2.242 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.790 -1.734 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.346 -3.327 12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.671 -2.499 10.729 1.00 0.00 H new ATOM 1503 N ALA A 96 -6.378 -6.565 12.366 1.00 0.00 N ATOM 1504 CA ALA A 96 -6.865 -7.055 13.645 1.00 0.00 C ATOM 1505 C ALA A 96 -5.684 -7.234 14.601 1.00 0.00 C ATOM 1506 O ALA A 96 -5.404 -6.358 15.418 1.00 0.00 O ATOM 1507 CB ALA A 96 -7.643 -8.355 13.430 1.00 0.00 C ATOM 0 H ALA A 96 -5.399 -6.777 12.173 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.549 -6.336 14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.008 -8.723 14.389 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.488 -8.168 12.767 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.988 -9.101 12.981 1.00 0.00 H new ATOM 1513 N ILE A 97 -5.023 -8.375 14.467 1.00 0.00 N ATOM 1514 CA ILE A 97 -3.879 -8.680 15.309 1.00 0.00 C ATOM 1515 C ILE A 97 -2.619 -8.069 14.691 1.00 0.00 C ATOM 1516 O ILE A 97 -1.594 -8.738 14.573 1.00 0.00 O ATOM 1517 CB ILE A 97 -3.777 -10.187 15.549 1.00 0.00 C ATOM 1518 CG1 ILE A 97 -3.477 -10.931 14.246 1.00 0.00 C ATOM 1519 CG2 ILE A 97 -5.036 -10.719 16.236 1.00 0.00 C ATOM 1520 CD1 ILE A 97 -2.661 -12.198 14.514 1.00 0.00 C ATOM 0 H ILE A 97 -5.258 -9.099 13.788 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.001 -8.231 16.295 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.940 -10.370 16.224 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.411 -11.194 13.750 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.929 -10.277 13.568 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.938 -11.793 16.395 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.165 -10.220 17.197 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.904 -10.524 15.607 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.461 -12.708 13.572 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.717 -11.929 14.988 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.223 -12.860 15.173 1.00 0.00 H new ATOM 1532 N ASP A 98 -2.737 -6.805 14.313 1.00 0.00 N ATOM 1533 CA ASP A 98 -1.621 -6.096 13.710 1.00 0.00 C ATOM 1534 C ASP A 98 -0.641 -5.672 14.806 1.00 0.00 C ATOM 1535 O ASP A 98 0.387 -5.059 14.520 1.00 0.00 O ATOM 1536 CB ASP A 98 -2.096 -4.835 12.986 1.00 0.00 C ATOM 1537 CG ASP A 98 -1.185 -4.358 11.854 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -0.087 -3.858 12.181 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -1.607 -4.503 10.686 1.00 0.00 O ATOM 0 H ASP A 98 -3.589 -6.253 14.413 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.144 -6.764 12.993 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.090 -5.021 12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.196 -4.031 13.715 1.00 0.00 H new ATOM 1544 N ASN A 99 -0.992 -6.016 16.036 1.00 0.00 N ATOM 1545 CA ASN A 99 -0.156 -5.679 17.175 1.00 0.00 C ATOM 1546 C ASN A 99 -0.338 -6.736 18.266 1.00 0.00 C ATOM 1547 O ASN A 99 -0.728 -6.414 19.388 1.00 0.00 O ATOM 1548 CB ASN A 99 -0.546 -4.321 17.762 1.00 0.00 C ATOM 1549 CG ASN A 99 0.667 -3.620 18.377 1.00 0.00 C ATOM 1550 OD1 ASN A 99 1.632 -3.292 17.706 1.00 0.00 O ATOM 1551 ND2 ASN A 99 0.565 -3.410 19.686 1.00 0.00 N ATOM 0 H ASN A 99 -1.845 -6.525 16.269 1.00 0.00 H new ATOM 0 HA ASN A 99 0.879 -5.641 16.834 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.976 -3.693 16.981 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.316 -4.457 18.522 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.323 -2.949 20.189 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.271 -3.710 20.187 1.00 0.00 H new ATOM 1558 N ALA A 100 -0.047 -7.975 17.900 1.00 0.00 N ATOM 1559 CA ALA A 100 -0.174 -9.081 18.834 1.00 0.00 C ATOM 1560 C ALA A 100 0.743 -10.224 18.392 1.00 0.00 C ATOM 1561 O ALA A 100 1.922 -10.249 18.742 1.00 0.00 O ATOM 1562 CB ALA A 100 -1.640 -9.510 18.921 1.00 0.00 C ATOM 0 H ALA A 100 0.277 -8.238 16.969 1.00 0.00 H new ATOM 0 HA ALA A 100 0.137 -8.777 19.834 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.735 -10.340 19.622 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.245 -8.672 19.267 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.986 -9.825 17.937 1.00 0.00 H new ATOM 1568 N MET A 101 0.166 -11.142 17.630 1.00 0.00 N ATOM 1569 CA MET A 101 0.917 -12.284 17.137 1.00 0.00 C ATOM 1570 C MET A 101 0.931 -13.416 18.166 1.00 0.00 C ATOM 1571 O MET A 101 1.565 -13.300 19.214 1.00 0.00 O ATOM 1572 CB MET A 101 2.353 -11.857 16.828 1.00 0.00 C ATOM 1573 CG MET A 101 2.951 -12.713 15.710 1.00 0.00 C ATOM 1574 SD MET A 101 4.604 -12.155 15.332 1.00 0.00 S ATOM 1575 CE MET A 101 4.341 -11.492 13.696 1.00 0.00 C ATOM 0 H MET A 101 -0.812 -11.118 17.342 1.00 0.00 H new ATOM 0 HA MET A 101 0.434 -12.648 16.230 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.369 -10.807 16.535 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.964 -11.947 17.726 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.972 -13.760 16.014 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.325 -12.652 14.820 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.280 -11.098 13.308 1.00 0.00 H new ATOM 0 HE2 MET A 101 3.979 -12.281 13.037 1.00 0.00 H new ATOM 0 HE3 MET A 101 3.603 -10.691 13.742 1.00 0.00 H new TER 1585 MET A 101