USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 663 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 75 MET CE :methyl 160:sc= -0.94 (180deg=-1.42) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -174:sc= 0.431 (180deg=0.203) USER MOD Set 2.1: A 16 THR OG1 : rot 4:sc= 0.353 USER MOD Set 2.2: A 31 MET CE :methyl 161:sc= -1.21 (180deg=-1.55) USER MOD Set 3.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc=-0.00834 X(o=-0.0083,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.891 USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0262) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.7!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 62 ASN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 169:sc= -0.198 USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.0954 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -3.600 -15.482 -3.618 1.00 0.00 N ATOM 72 CA ASP A 5 -3.716 -15.814 -5.028 1.00 0.00 C ATOM 73 C ASP A 5 -4.213 -14.589 -5.797 1.00 0.00 C ATOM 74 O ASP A 5 -4.392 -13.518 -5.218 1.00 0.00 O ATOM 75 CB ASP A 5 -4.719 -16.948 -5.245 1.00 0.00 C ATOM 76 CG ASP A 5 -4.609 -18.108 -4.254 1.00 0.00 C ATOM 77 OD1 ASP A 5 -3.507 -18.592 -3.956 1.00 0.00 O ATOM 78 OD2 ASP A 5 -5.732 -18.523 -3.773 1.00 0.00 O ATOM 0 HA ASP A 5 -2.734 -16.128 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.727 -16.537 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.590 -17.339 -6.254 1.00 0.00 H new ATOM 84 N ASP A 6 -4.422 -14.787 -7.090 1.00 0.00 N ATOM 85 CA ASP A 6 -4.896 -13.711 -7.945 1.00 0.00 C ATOM 86 C ASP A 6 -6.010 -12.947 -7.227 1.00 0.00 C ATOM 87 O ASP A 6 -6.075 -11.721 -7.303 1.00 0.00 O ATOM 88 CB ASP A 6 -5.466 -14.259 -9.255 1.00 0.00 C ATOM 89 CG ASP A 6 -4.488 -14.272 -10.431 1.00 0.00 C ATOM 90 OD1 ASP A 6 -3.370 -13.744 -10.338 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.920 -14.864 -11.493 1.00 0.00 O ATOM 0 H ASP A 6 -4.272 -15.676 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.051 -13.058 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.817 -15.276 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.336 -13.664 -9.532 1.00 0.00 H new ATOM 97 N ILE A 7 -6.858 -13.704 -6.546 1.00 0.00 N ATOM 98 CA ILE A 7 -7.966 -13.113 -5.815 1.00 0.00 C ATOM 99 C ILE A 7 -7.428 -12.058 -4.846 1.00 0.00 C ATOM 100 O ILE A 7 -7.962 -10.952 -4.768 1.00 0.00 O ATOM 101 CB ILE A 7 -8.801 -14.201 -5.137 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.620 -14.984 -6.164 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.681 -13.609 -4.033 1.00 0.00 C ATOM 104 CD1 ILE A 7 -10.128 -16.300 -5.573 1.00 0.00 C ATOM 0 H ILE A 7 -6.800 -14.721 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.644 -12.602 -6.499 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.120 -14.908 -4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.465 -14.381 -6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.008 -15.188 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.264 -14.403 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.051 -13.133 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.355 -12.868 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.707 -16.837 -6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.280 -16.911 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.759 -16.091 -4.709 1.00 0.00 H new ATOM 116 N ALA A 8 -6.377 -12.436 -4.134 1.00 0.00 N ATOM 117 CA ALA A 8 -5.760 -11.536 -3.174 1.00 0.00 C ATOM 118 C ALA A 8 -5.265 -10.284 -3.900 1.00 0.00 C ATOM 119 O ALA A 8 -5.338 -9.180 -3.362 1.00 0.00 O ATOM 120 CB ALA A 8 -4.635 -12.267 -2.439 1.00 0.00 C ATOM 0 H ALA A 8 -5.937 -13.354 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.485 -11.217 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.172 -11.592 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.044 -13.131 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.886 -12.599 -3.158 1.00 0.00 H new ATOM 126 N LYS A 9 -4.773 -10.497 -5.112 1.00 0.00 N ATOM 127 CA LYS A 9 -4.266 -9.400 -5.917 1.00 0.00 C ATOM 128 C LYS A 9 -5.371 -8.359 -6.107 1.00 0.00 C ATOM 129 O LYS A 9 -5.215 -7.204 -5.715 1.00 0.00 O ATOM 130 CB LYS A 9 -3.683 -9.924 -7.231 1.00 0.00 C ATOM 131 CG LYS A 9 -2.314 -9.301 -7.511 1.00 0.00 C ATOM 132 CD LYS A 9 -1.532 -10.130 -8.532 1.00 0.00 C ATOM 133 CE LYS A 9 -0.564 -11.088 -7.835 1.00 0.00 C ATOM 134 NZ LYS A 9 0.603 -11.367 -8.702 1.00 0.00 N ATOM 0 H LYS A 9 -4.715 -11.414 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.442 -8.902 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.590 -11.009 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.364 -9.697 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.442 -8.285 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.746 -9.230 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.226 -10.697 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.978 -9.467 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.229 -10.654 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.076 -12.019 -7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.250 -12.019 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.280 -11.801 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.100 -10.478 -8.912 1.00 0.00 H new ATOM 147 N ARG A 10 -6.464 -8.806 -6.709 1.00 0.00 N ATOM 148 CA ARG A 10 -7.595 -7.927 -6.955 1.00 0.00 C ATOM 149 C ARG A 10 -7.892 -7.085 -5.714 1.00 0.00 C ATOM 150 O ARG A 10 -8.200 -5.898 -5.824 1.00 0.00 O ATOM 151 CB ARG A 10 -8.843 -8.729 -7.331 1.00 0.00 C ATOM 152 CG ARG A 10 -8.938 -8.917 -8.846 1.00 0.00 C ATOM 153 CD ARG A 10 -9.940 -7.935 -9.458 1.00 0.00 C ATOM 154 NE ARG A 10 -11.311 -8.482 -9.356 1.00 0.00 N ATOM 155 CZ ARG A 10 -12.423 -7.812 -9.725 1.00 0.00 C ATOM 156 NH1 ARG A 10 -12.335 -6.561 -10.225 1.00 0.00 N ATOM 157 NH2 ARG A 10 -13.599 -8.397 -9.590 1.00 0.00 N ATOM 0 H ARG A 10 -6.590 -9.765 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.333 -7.273 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.815 -9.702 -6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.733 -8.215 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.957 -8.769 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.241 -9.939 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.883 -6.976 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.690 -7.751 -10.503 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.423 -9.425 -8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.423 -6.115 -10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.180 -6.062 -10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.658 -9.342 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.449 -7.904 -9.864 1.00 0.00 H new ATOM 170 N LYS A 11 -7.791 -7.730 -4.561 1.00 0.00 N ATOM 171 CA LYS A 11 -8.045 -7.054 -3.300 1.00 0.00 C ATOM 172 C LYS A 11 -7.180 -5.795 -3.217 1.00 0.00 C ATOM 173 O LYS A 11 -7.677 -4.716 -2.899 1.00 0.00 O ATOM 174 CB LYS A 11 -7.846 -8.016 -2.127 1.00 0.00 C ATOM 175 CG LYS A 11 -8.758 -7.649 -0.956 1.00 0.00 C ATOM 176 CD LYS A 11 -8.074 -7.933 0.383 1.00 0.00 C ATOM 177 CE LYS A 11 -9.098 -8.016 1.516 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.595 -7.321 2.722 1.00 0.00 N ATOM 0 H LYS A 11 -7.537 -8.714 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.084 -6.730 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.055 -9.036 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.805 -7.991 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.025 -6.594 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.686 -8.217 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.519 -8.869 0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.350 -7.147 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.039 -7.568 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.305 -9.060 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.303 -7.387 3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.709 -7.766 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.420 -6.321 2.498 1.00 0.00 H new ATOM 191 N ILE A 12 -5.900 -5.975 -3.509 1.00 0.00 N ATOM 192 CA ILE A 12 -4.961 -4.867 -3.472 1.00 0.00 C ATOM 193 C ILE A 12 -5.618 -3.627 -4.082 1.00 0.00 C ATOM 194 O ILE A 12 -5.630 -2.561 -3.469 1.00 0.00 O ATOM 195 CB ILE A 12 -3.643 -5.259 -4.143 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.446 -4.788 -3.315 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.585 -4.740 -5.581 1.00 0.00 C ATOM 198 CD1 ILE A 12 -1.935 -3.434 -3.810 1.00 0.00 C ATOM 0 H ILE A 12 -5.491 -6.872 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.705 -4.618 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.594 -6.347 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.733 -4.711 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.646 -5.526 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.638 -5.032 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.409 -5.165 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.666 -3.653 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.084 -3.123 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.626 -3.520 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.730 -2.693 -3.727 1.00 0.00 H new ATOM 210 N ARG A 13 -6.147 -3.808 -5.283 1.00 0.00 N ATOM 211 CA ARG A 13 -6.804 -2.717 -5.984 1.00 0.00 C ATOM 212 C ARG A 13 -8.189 -2.460 -5.386 1.00 0.00 C ATOM 213 O ARG A 13 -8.519 -1.326 -5.042 1.00 0.00 O ATOM 214 CB ARG A 13 -6.949 -3.028 -7.475 1.00 0.00 C ATOM 215 CG ARG A 13 -6.185 -2.010 -8.324 1.00 0.00 C ATOM 216 CD ARG A 13 -6.365 -2.296 -9.816 1.00 0.00 C ATOM 217 NE ARG A 13 -5.989 -1.105 -10.609 1.00 0.00 N ATOM 218 CZ ARG A 13 -5.746 -1.125 -11.937 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.840 -2.278 -12.633 1.00 0.00 N ATOM 220 NH2 ARG A 13 -5.417 0.000 -12.545 1.00 0.00 N ATOM 0 H ARG A 13 -6.134 -4.694 -5.789 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.184 -1.828 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.575 -4.031 -7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.003 -3.019 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.538 -1.004 -8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.126 -2.041 -8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.749 -3.147 -10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.401 -2.567 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.908 -0.213 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.096 -3.142 -12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.655 -2.285 -13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.350 0.867 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.230 0.002 -13.548 1.00 0.00 H new ATOM 233 N PHE A 14 -8.961 -3.531 -5.281 1.00 0.00 N ATOM 234 CA PHE A 14 -10.302 -3.435 -4.731 1.00 0.00 C ATOM 235 C PHE A 14 -10.310 -2.604 -3.446 1.00 0.00 C ATOM 236 O PHE A 14 -11.332 -2.020 -3.087 1.00 0.00 O ATOM 237 CB PHE A 14 -10.755 -4.860 -4.404 1.00 0.00 C ATOM 238 CG PHE A 14 -12.257 -5.092 -4.581 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.144 -4.438 -3.785 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.704 -5.953 -5.534 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.538 -4.653 -3.949 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.098 -6.168 -5.698 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.986 -5.514 -4.902 1.00 0.00 C ATOM 0 H PHE A 14 -8.684 -4.470 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.964 -2.952 -5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.212 -5.558 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.481 -5.090 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.788 -3.755 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.999 -6.473 -6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.243 -4.133 -3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.453 -6.851 -6.455 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.046 -5.678 -5.027 1.00 0.00 H new ATOM 253 N GLN A 15 -9.160 -2.576 -2.790 1.00 0.00 N ATOM 254 CA GLN A 15 -9.021 -1.825 -1.554 1.00 0.00 C ATOM 255 C GLN A 15 -8.755 -0.349 -1.856 1.00 0.00 C ATOM 256 O GLN A 15 -9.355 0.532 -1.242 1.00 0.00 O ATOM 257 CB GLN A 15 -7.915 -2.414 -0.676 1.00 0.00 C ATOM 258 CG GLN A 15 -8.504 -3.237 0.471 1.00 0.00 C ATOM 259 CD GLN A 15 -8.947 -2.333 1.623 1.00 0.00 C ATOM 260 OE1 GLN A 15 -9.008 -1.120 1.507 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.252 -2.989 2.739 1.00 0.00 N ATOM 0 H GLN A 15 -8.315 -3.062 -3.091 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.957 -1.899 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.262 -3.043 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.299 -1.610 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.355 -3.815 0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.763 -3.951 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.179 -4.006 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.559 -2.475 3.565 1.00 0.00 H new ATOM 270 N THR A 16 -7.853 -0.125 -2.801 1.00 0.00 N ATOM 271 CA THR A 16 -7.500 1.229 -3.192 1.00 0.00 C ATOM 272 C THR A 16 -8.660 1.888 -3.941 1.00 0.00 C ATOM 273 O THR A 16 -9.739 1.309 -4.055 1.00 0.00 O ATOM 274 CB THR A 16 -6.208 1.164 -4.008 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.532 0.312 -5.104 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.090 0.419 -3.276 1.00 0.00 C ATOM 0 H THR A 16 -7.356 -0.858 -3.307 1.00 0.00 H new ATOM 0 HA THR A 16 -7.319 1.858 -2.320 1.00 0.00 H new ATOM 0 HB THR A 16 -5.877 2.175 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.480 0.067 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.196 0.402 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.869 0.927 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.408 -0.603 -3.070 1.00 0.00 H new ATOM 284 N ARG A 17 -8.397 3.089 -4.434 1.00 0.00 N ATOM 285 CA ARG A 17 -9.406 3.833 -5.170 1.00 0.00 C ATOM 286 C ARG A 17 -10.643 4.055 -4.298 1.00 0.00 C ATOM 287 O ARG A 17 -10.909 3.278 -3.382 1.00 0.00 O ATOM 288 CB ARG A 17 -9.815 3.092 -6.445 1.00 0.00 C ATOM 289 CG ARG A 17 -8.779 3.294 -7.552 1.00 0.00 C ATOM 290 CD ARG A 17 -8.562 2.001 -8.342 1.00 0.00 C ATOM 291 NE ARG A 17 -8.260 2.316 -9.756 1.00 0.00 N ATOM 292 CZ ARG A 17 -9.195 2.630 -10.677 1.00 0.00 C ATOM 293 NH1 ARG A 17 -10.502 2.674 -10.340 1.00 0.00 N ATOM 294 NH2 ARG A 17 -8.813 2.894 -11.913 1.00 0.00 N ATOM 0 H ARG A 17 -7.500 3.566 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.974 4.795 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.923 2.028 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.788 3.450 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.110 4.085 -8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.835 3.621 -7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.742 1.431 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.452 1.375 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.284 2.294 -10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.789 2.469 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.202 2.912 -11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.824 2.859 -12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.507 3.133 -12.621 1.00 0.00 H new ATOM 307 N ARG A 18 -11.367 5.119 -4.613 1.00 0.00 N ATOM 308 CA ARG A 18 -12.570 5.453 -3.870 1.00 0.00 C ATOM 309 C ARG A 18 -12.207 6.160 -2.563 1.00 0.00 C ATOM 310 O ARG A 18 -12.147 5.529 -1.508 1.00 0.00 O ATOM 311 CB ARG A 18 -13.388 4.199 -3.554 1.00 0.00 C ATOM 312 CG ARG A 18 -14.880 4.444 -3.788 1.00 0.00 C ATOM 313 CD ARG A 18 -15.670 3.136 -3.707 1.00 0.00 C ATOM 314 NE ARG A 18 -17.094 3.422 -3.424 1.00 0.00 N ATOM 315 CZ ARG A 18 -17.542 3.971 -2.275 1.00 0.00 C ATOM 316 NH1 ARG A 18 -16.679 4.299 -1.290 1.00 0.00 N ATOM 317 NH2 ARG A 18 -18.837 4.182 -2.129 1.00 0.00 N ATOM 0 H ARG A 18 -11.143 5.761 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.170 6.117 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.049 3.373 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.222 3.904 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.257 5.147 -3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.028 4.902 -4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.580 2.588 -4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.256 2.499 -2.925 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.780 3.190 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.680 4.132 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.026 4.713 -0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.482 3.931 -2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.192 4.596 -1.267 1.00 0.00 H new ATOM 330 N GLY A 19 -11.975 7.459 -2.675 1.00 0.00 N ATOM 331 CA GLY A 19 -11.620 8.259 -1.514 1.00 0.00 C ATOM 332 C GLY A 19 -11.051 9.615 -1.936 1.00 0.00 C ATOM 333 O GLY A 19 -11.503 10.656 -1.462 1.00 0.00 O ATOM 0 H GLY A 19 -12.026 7.978 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.500 8.409 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.886 7.725 -0.910 1.00 0.00 H new ATOM 337 N LEU A 20 -10.069 9.559 -2.824 1.00 0.00 N ATOM 338 CA LEU A 20 -9.434 10.770 -3.315 1.00 0.00 C ATOM 339 C LEU A 20 -9.070 10.588 -4.790 1.00 0.00 C ATOM 340 O LEU A 20 -8.742 9.483 -5.220 1.00 0.00 O ATOM 341 CB LEU A 20 -8.245 11.149 -2.430 1.00 0.00 C ATOM 342 CG LEU A 20 -8.398 12.434 -1.615 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.645 12.377 -0.730 1.00 0.00 C ATOM 344 CD2 LEU A 20 -7.133 12.724 -0.804 1.00 0.00 C ATOM 0 H LEU A 20 -9.698 8.694 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.124 11.612 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.053 10.326 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.363 11.247 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.533 13.264 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.730 13.303 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.529 12.252 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.565 11.535 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.269 13.643 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.942 11.897 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.286 12.838 -1.480 1.00 0.00 H new ATOM 356 N LEU A 21 -9.140 11.688 -5.524 1.00 0.00 N ATOM 357 CA LEU A 21 -8.821 11.664 -6.942 1.00 0.00 C ATOM 358 C LEU A 21 -7.345 11.305 -7.122 1.00 0.00 C ATOM 359 O LEU A 21 -7.019 10.208 -7.572 1.00 0.00 O ATOM 360 CB LEU A 21 -9.218 12.985 -7.603 1.00 0.00 C ATOM 361 CG LEU A 21 -8.827 13.143 -9.074 1.00 0.00 C ATOM 362 CD1 LEU A 21 -9.409 12.009 -9.920 1.00 0.00 C ATOM 363 CD2 LEU A 21 -9.231 14.520 -9.604 1.00 0.00 C ATOM 0 H LEU A 21 -9.413 12.602 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.401 10.894 -7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.299 13.099 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.767 13.801 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.742 13.076 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.116 12.145 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.030 11.053 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.496 12.020 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.942 14.606 -10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.310 14.642 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.729 15.295 -9.024 1.00 0.00 H new ATOM 375 N GLU A 22 -6.490 12.251 -6.761 1.00 0.00 N ATOM 376 CA GLU A 22 -5.056 12.049 -6.877 1.00 0.00 C ATOM 377 C GLU A 22 -4.679 10.641 -6.410 1.00 0.00 C ATOM 378 O GLU A 22 -3.827 9.991 -7.013 1.00 0.00 O ATOM 379 CB GLU A 22 -4.287 13.111 -6.090 1.00 0.00 C ATOM 380 CG GLU A 22 -3.207 13.761 -6.958 1.00 0.00 C ATOM 381 CD GLU A 22 -3.768 14.959 -7.727 1.00 0.00 C ATOM 382 OE1 GLU A 22 -4.948 14.953 -8.108 1.00 0.00 O ATOM 383 OE2 GLU A 22 -2.931 15.921 -7.924 1.00 0.00 O ATOM 0 H GLU A 22 -6.763 13.160 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.779 12.150 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.978 13.874 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.828 12.657 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.377 14.084 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.810 13.028 -7.660 1.00 0.00 H new ATOM 391 N LEU A 23 -5.333 10.212 -5.341 1.00 0.00 N ATOM 392 CA LEU A 23 -5.077 8.894 -4.786 1.00 0.00 C ATOM 393 C LEU A 23 -5.250 7.841 -5.883 1.00 0.00 C ATOM 394 O LEU A 23 -4.337 7.062 -6.150 1.00 0.00 O ATOM 395 CB LEU A 23 -5.955 8.650 -3.557 1.00 0.00 C ATOM 396 CG LEU A 23 -5.334 7.797 -2.448 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.100 7.050 -2.957 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.022 8.645 -1.213 1.00 0.00 C ATOM 0 H LEU A 23 -6.040 10.754 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.048 8.823 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.230 9.616 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.878 8.170 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.064 7.046 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.678 6.452 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.385 6.397 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.357 7.768 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.582 8.015 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.319 9.434 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.942 9.091 -0.836 1.00 0.00 H new ATOM 410 N ASP A 24 -6.428 7.853 -6.490 1.00 0.00 N ATOM 411 CA ASP A 24 -6.732 6.909 -7.552 1.00 0.00 C ATOM 412 C ASP A 24 -5.560 6.857 -8.533 1.00 0.00 C ATOM 413 O ASP A 24 -5.233 5.794 -9.060 1.00 0.00 O ATOM 414 CB ASP A 24 -7.980 7.337 -8.328 1.00 0.00 C ATOM 415 CG ASP A 24 -8.458 6.338 -9.383 1.00 0.00 C ATOM 416 OD1 ASP A 24 -7.689 5.486 -9.852 1.00 0.00 O ATOM 417 OD2 ASP A 24 -9.695 6.461 -9.729 1.00 0.00 O ATOM 0 H ASP A 24 -7.183 8.501 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.907 5.934 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.790 7.509 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.777 8.290 -8.817 1.00 0.00 H new ATOM 423 N LEU A 25 -4.958 8.017 -8.749 1.00 0.00 N ATOM 424 CA LEU A 25 -3.829 8.117 -9.658 1.00 0.00 C ATOM 425 C LEU A 25 -2.594 7.499 -8.999 1.00 0.00 C ATOM 426 O LEU A 25 -1.968 6.603 -9.563 1.00 0.00 O ATOM 427 CB LEU A 25 -3.627 9.567 -10.105 1.00 0.00 C ATOM 428 CG LEU A 25 -4.901 10.390 -10.307 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.575 11.777 -10.864 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.905 9.640 -11.185 1.00 0.00 C ATOM 0 H LEU A 25 -5.231 8.896 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.022 7.551 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.006 10.071 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.068 9.563 -11.041 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.371 10.536 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.498 12.341 -10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.925 12.305 -10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.070 11.674 -11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.801 10.247 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.459 9.442 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.171 8.696 -10.709 1.00 0.00 H new ATOM 442 N ILE A 26 -2.279 8.004 -7.815 1.00 0.00 N ATOM 443 CA ILE A 26 -1.130 7.512 -7.074 1.00 0.00 C ATOM 444 C ILE A 26 -1.056 5.990 -7.206 1.00 0.00 C ATOM 445 O ILE A 26 -0.082 5.455 -7.733 1.00 0.00 O ATOM 446 CB ILE A 26 -1.177 8.003 -5.625 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.150 9.531 -5.563 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.055 7.375 -4.797 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.958 10.046 -4.369 1.00 0.00 C ATOM 0 H ILE A 26 -2.799 8.748 -7.351 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.207 7.913 -7.492 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.121 7.680 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.119 9.877 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.556 9.943 -6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.111 7.741 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.163 6.290 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.910 7.646 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.922 11.135 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.993 9.718 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.534 9.651 -3.446 1.00 0.00 H new ATOM 461 N PHE A 27 -2.099 5.334 -6.717 1.00 0.00 N ATOM 462 CA PHE A 27 -2.165 3.884 -6.774 1.00 0.00 C ATOM 463 C PHE A 27 -1.704 3.367 -8.138 1.00 0.00 C ATOM 464 O PHE A 27 -0.959 2.392 -8.217 1.00 0.00 O ATOM 465 CB PHE A 27 -3.629 3.494 -6.562 1.00 0.00 C ATOM 466 CG PHE A 27 -4.139 3.740 -5.141 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.535 3.130 -4.086 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.197 4.569 -4.932 1.00 0.00 C ATOM 469 CE1 PHE A 27 -4.008 3.358 -2.767 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.670 4.797 -3.613 1.00 0.00 C ATOM 471 CZ PHE A 27 -5.066 4.187 -2.558 1.00 0.00 C ATOM 0 H PHE A 27 -2.905 5.781 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.515 3.452 -6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.249 4.055 -7.262 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.752 2.438 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.695 2.472 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.677 5.054 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.528 2.873 -1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.510 5.455 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.426 4.361 -1.555 1.00 0.00 H new ATOM 481 N GLY A 28 -2.167 4.044 -9.179 1.00 0.00 N ATOM 482 CA GLY A 28 -1.811 3.666 -10.536 1.00 0.00 C ATOM 483 C GLY A 28 -0.326 3.309 -10.635 1.00 0.00 C ATOM 484 O GLY A 28 0.024 2.200 -11.034 1.00 0.00 O ATOM 0 H GLY A 28 -2.786 4.852 -9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.415 2.815 -10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.038 4.486 -11.217 1.00 0.00 H new ATOM 488 N ARG A 29 0.506 4.271 -10.264 1.00 0.00 N ATOM 489 CA ARG A 29 1.945 4.072 -10.306 1.00 0.00 C ATOM 490 C ARG A 29 2.431 3.434 -9.003 1.00 0.00 C ATOM 491 O ARG A 29 3.164 2.447 -9.026 1.00 0.00 O ATOM 492 CB ARG A 29 2.678 5.398 -10.520 1.00 0.00 C ATOM 493 CG ARG A 29 3.052 5.585 -11.992 1.00 0.00 C ATOM 494 CD ARG A 29 4.544 5.890 -12.144 1.00 0.00 C ATOM 495 NE ARG A 29 4.750 7.349 -12.291 1.00 0.00 N ATOM 496 CZ ARG A 29 5.960 7.946 -12.289 1.00 0.00 C ATOM 497 NH1 ARG A 29 7.086 7.214 -12.146 1.00 0.00 N ATOM 498 NH2 ARG A 29 6.027 9.257 -12.428 1.00 0.00 N ATOM 0 H ARG A 29 0.212 5.190 -9.933 1.00 0.00 H new ATOM 0 HA ARG A 29 2.164 3.409 -11.143 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.046 6.224 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.578 5.423 -9.906 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.803 4.684 -12.552 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.465 6.398 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.089 5.523 -11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.944 5.368 -13.014 1.00 0.00 H new ATOM 0 HE ARG A 29 3.926 7.940 -12.401 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.026 6.201 -12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.997 7.674 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.172 9.803 -12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.934 9.724 -12.429 1.00 0.00 H new ATOM 511 N PHE A 30 2.003 4.024 -7.896 1.00 0.00 N ATOM 512 CA PHE A 30 2.385 3.526 -6.586 1.00 0.00 C ATOM 513 C PHE A 30 2.450 1.997 -6.579 1.00 0.00 C ATOM 514 O PHE A 30 3.406 1.415 -6.069 1.00 0.00 O ATOM 515 CB PHE A 30 1.307 3.984 -5.601 1.00 0.00 C ATOM 516 CG PHE A 30 1.197 3.111 -4.350 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.308 2.524 -3.830 1.00 0.00 C ATOM 518 CD2 PHE A 30 -0.013 2.922 -3.757 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.206 1.714 -2.668 1.00 0.00 C ATOM 520 CE2 PHE A 30 -0.115 2.112 -2.595 1.00 0.00 C ATOM 521 CZ PHE A 30 0.996 1.525 -2.075 1.00 0.00 C ATOM 0 H PHE A 30 1.395 4.843 -7.880 1.00 0.00 H new ATOM 0 HA PHE A 30 3.370 3.906 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.518 5.010 -5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.344 3.994 -6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.268 2.674 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.896 3.388 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.089 1.248 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.075 1.962 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.918 0.909 -1.191 1.00 0.00 H new ATOM 531 N MET A 31 1.419 1.390 -7.149 1.00 0.00 N ATOM 532 CA MET A 31 1.347 -0.059 -7.215 1.00 0.00 C ATOM 533 C MET A 31 2.257 -0.604 -8.317 1.00 0.00 C ATOM 534 O MET A 31 3.153 -1.404 -8.049 1.00 0.00 O ATOM 535 CB MET A 31 -0.097 -0.487 -7.487 1.00 0.00 C ATOM 536 CG MET A 31 -0.723 -1.123 -6.244 1.00 0.00 C ATOM 537 SD MET A 31 -2.110 -0.145 -5.692 1.00 0.00 S ATOM 538 CE MET A 31 -3.370 -0.732 -6.813 1.00 0.00 C ATOM 0 H MET A 31 0.627 1.876 -7.569 1.00 0.00 H new ATOM 0 HA MET A 31 1.682 -0.464 -6.260 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.685 0.378 -7.793 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.120 -1.197 -8.314 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.050 -2.138 -6.470 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.020 -1.197 -5.450 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.355 -0.494 -6.410 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.248 -0.249 -7.782 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.277 -1.812 -6.931 1.00 0.00 H new ATOM 548 N GLU A 32 1.997 -0.150 -9.534 1.00 0.00 N ATOM 549 CA GLU A 32 2.781 -0.582 -10.678 1.00 0.00 C ATOM 550 C GLU A 32 4.272 -0.567 -10.336 1.00 0.00 C ATOM 551 O GLU A 32 5.058 -1.300 -10.934 1.00 0.00 O ATOM 552 CB GLU A 32 2.491 0.288 -11.903 1.00 0.00 C ATOM 553 CG GLU A 32 2.311 -0.571 -13.156 1.00 0.00 C ATOM 554 CD GLU A 32 3.622 -1.262 -13.539 1.00 0.00 C ATOM 555 OE1 GLU A 32 3.841 -2.425 -13.168 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.427 -0.548 -14.250 1.00 0.00 O ATOM 0 H GLU A 32 1.254 0.513 -9.753 1.00 0.00 H new ATOM 0 HA GLU A 32 2.494 -1.605 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.591 0.878 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.309 0.992 -12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.539 -1.320 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.969 0.052 -13.982 1.00 0.00 H new ATOM 564 N LYS A 33 4.617 0.276 -9.374 1.00 0.00 N ATOM 565 CA LYS A 33 6.000 0.397 -8.944 1.00 0.00 C ATOM 566 C LYS A 33 6.221 -0.467 -7.701 1.00 0.00 C ATOM 567 O LYS A 33 7.306 -1.009 -7.501 1.00 0.00 O ATOM 568 CB LYS A 33 6.373 1.867 -8.746 1.00 0.00 C ATOM 569 CG LYS A 33 7.266 2.365 -9.885 1.00 0.00 C ATOM 570 CD LYS A 33 7.584 3.852 -9.722 1.00 0.00 C ATOM 571 CE LYS A 33 8.852 4.229 -10.492 1.00 0.00 C ATOM 572 NZ LYS A 33 9.894 4.722 -9.563 1.00 0.00 N ATOM 0 H LYS A 33 3.962 0.882 -8.880 1.00 0.00 H new ATOM 0 HA LYS A 33 6.673 0.023 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.468 2.472 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.890 1.990 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.193 1.791 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.769 2.198 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.745 4.448 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.713 4.086 -8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.224 3.362 -11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.622 4.997 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.748 4.974 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.542 5.561 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.125 3.978 -8.874 1.00 0.00 H new ATOM 585 N GLU A 34 5.173 -0.568 -6.896 1.00 0.00 N ATOM 586 CA GLU A 34 5.238 -1.356 -5.677 1.00 0.00 C ATOM 587 C GLU A 34 4.641 -2.745 -5.911 1.00 0.00 C ATOM 588 O GLU A 34 5.358 -3.744 -5.892 1.00 0.00 O ATOM 589 CB GLU A 34 4.531 -0.642 -4.524 1.00 0.00 C ATOM 590 CG GLU A 34 5.291 0.620 -4.111 1.00 0.00 C ATOM 591 CD GLU A 34 6.668 0.269 -3.542 1.00 0.00 C ATOM 592 OE1 GLU A 34 6.984 -0.918 -3.372 1.00 0.00 O ATOM 593 OE2 GLU A 34 7.421 1.281 -3.276 1.00 0.00 O ATOM 0 H GLU A 34 4.274 -0.117 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 34 6.285 -1.474 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.516 -0.378 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.447 -1.316 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.406 1.278 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.715 1.169 -3.366 1.00 0.00 H new ATOM 601 N PHE A 35 3.334 -2.764 -6.125 1.00 0.00 N ATOM 602 CA PHE A 35 2.632 -4.014 -6.362 1.00 0.00 C ATOM 603 C PHE A 35 3.474 -4.962 -7.219 1.00 0.00 C ATOM 604 O PHE A 35 3.381 -6.180 -7.078 1.00 0.00 O ATOM 605 CB PHE A 35 1.347 -3.669 -7.118 1.00 0.00 C ATOM 606 CG PHE A 35 0.794 -4.819 -7.963 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.742 -6.077 -7.449 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.355 -4.582 -9.228 1.00 0.00 C ATOM 609 CE1 PHE A 35 0.230 -7.144 -8.233 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.158 -5.649 -10.012 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.210 -6.907 -9.498 1.00 0.00 C ATOM 0 H PHE A 35 2.742 -1.933 -6.139 1.00 0.00 H new ATOM 0 HA PHE A 35 2.426 -4.510 -5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.587 -3.361 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.538 -2.814 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.090 -6.264 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.396 -3.583 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.190 -8.143 -7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.507 -5.461 -11.017 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.601 -7.718 -10.094 1.00 0.00 H new ATOM 621 N GLU A 36 4.277 -4.366 -8.088 1.00 0.00 N ATOM 622 CA GLU A 36 5.136 -5.142 -8.967 1.00 0.00 C ATOM 623 C GLU A 36 6.203 -5.877 -8.154 1.00 0.00 C ATOM 624 O GLU A 36 6.464 -7.056 -8.388 1.00 0.00 O ATOM 625 CB GLU A 36 5.775 -4.251 -10.034 1.00 0.00 C ATOM 626 CG GLU A 36 5.928 -5.005 -11.357 1.00 0.00 C ATOM 627 CD GLU A 36 7.365 -5.494 -11.547 1.00 0.00 C ATOM 628 OE1 GLU A 36 8.305 -4.685 -11.518 1.00 0.00 O ATOM 629 OE2 GLU A 36 7.489 -6.765 -11.729 1.00 0.00 O ATOM 0 H GLU A 36 4.351 -3.355 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 36 4.524 -5.884 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.162 -3.363 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.752 -3.909 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.246 -5.855 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.649 -4.353 -12.185 1.00 0.00 H new ATOM 637 N HIS A 37 6.792 -5.149 -7.216 1.00 0.00 N ATOM 638 CA HIS A 37 7.825 -5.718 -6.367 1.00 0.00 C ATOM 639 C HIS A 37 7.181 -6.380 -5.147 1.00 0.00 C ATOM 640 O HIS A 37 7.777 -7.258 -4.526 1.00 0.00 O ATOM 641 CB HIS A 37 8.861 -4.657 -5.988 1.00 0.00 C ATOM 642 CG HIS A 37 9.763 -4.245 -7.127 1.00 0.00 C ATOM 643 ND1 HIS A 37 10.820 -3.367 -6.965 1.00 0.00 N ATOM 644 CD2 HIS A 37 9.756 -4.601 -8.443 1.00 0.00 C ATOM 645 CE1 HIS A 37 11.415 -3.208 -8.139 1.00 0.00 C ATOM 646 NE2 HIS A 37 10.753 -3.973 -9.053 1.00 0.00 N ATOM 0 H HIS A 37 6.574 -4.171 -7.026 1.00 0.00 H new ATOM 0 HA HIS A 37 8.365 -6.492 -6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.342 -3.775 -5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.475 -5.038 -5.172 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.057 -5.279 -8.910 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.273 -2.583 -8.337 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.986 -4.050 -10.043 1.00 0.00 H new ATOM 654 N LEU A 38 5.972 -5.932 -4.841 1.00 0.00 N ATOM 655 CA LEU A 38 5.240 -6.470 -3.707 1.00 0.00 C ATOM 656 C LEU A 38 5.316 -7.998 -3.735 1.00 0.00 C ATOM 657 O LEU A 38 5.817 -8.581 -4.695 1.00 0.00 O ATOM 658 CB LEU A 38 3.810 -5.926 -3.685 1.00 0.00 C ATOM 659 CG LEU A 38 3.646 -4.492 -3.175 1.00 0.00 C ATOM 660 CD1 LEU A 38 2.168 -4.117 -3.061 1.00 0.00 C ATOM 661 CD2 LEU A 38 4.392 -4.291 -1.855 1.00 0.00 C ATOM 0 H LEU A 38 5.481 -5.203 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 38 5.695 -6.145 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.406 -5.979 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.202 -6.583 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 38 4.094 -3.817 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.079 -3.094 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.696 -4.196 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.673 -4.794 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.259 -3.264 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.996 -4.976 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.453 -4.490 -2.003 1.00 0.00 H new ATOM 673 N SER A 39 4.810 -8.604 -2.670 1.00 0.00 N ATOM 674 CA SER A 39 4.814 -10.052 -2.561 1.00 0.00 C ATOM 675 C SER A 39 3.839 -10.497 -1.469 1.00 0.00 C ATOM 676 O SER A 39 3.468 -9.707 -0.603 1.00 0.00 O ATOM 677 CB SER A 39 6.220 -10.578 -2.263 1.00 0.00 C ATOM 678 OG SER A 39 7.232 -9.684 -2.717 1.00 0.00 O ATOM 0 H SER A 39 4.395 -8.118 -1.875 1.00 0.00 H new ATOM 0 HA SER A 39 4.494 -10.468 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.329 -10.734 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.353 -11.549 -2.741 1.00 0.00 H new ATOM 0 HG SER A 39 8.114 -10.055 -2.507 1.00 0.00 H new ATOM 684 N ASP A 40 3.450 -11.762 -1.547 1.00 0.00 N ATOM 685 CA ASP A 40 2.525 -12.321 -0.577 1.00 0.00 C ATOM 686 C ASP A 40 2.823 -11.734 0.804 1.00 0.00 C ATOM 687 O ASP A 40 1.964 -11.094 1.409 1.00 0.00 O ATOM 688 CB ASP A 40 2.674 -13.841 -0.486 1.00 0.00 C ATOM 689 CG ASP A 40 1.938 -14.495 0.685 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.007 -15.290 0.490 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.362 -14.152 1.855 1.00 0.00 O ATOM 0 H ASP A 40 3.759 -12.415 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 40 1.512 -12.076 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.312 -14.282 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.734 -14.083 -0.410 1.00 0.00 H new ATOM 697 N LYS A 41 4.043 -11.971 1.262 1.00 0.00 N ATOM 698 CA LYS A 41 4.465 -11.474 2.560 1.00 0.00 C ATOM 699 C LYS A 41 4.160 -9.977 2.651 1.00 0.00 C ATOM 700 O LYS A 41 3.502 -9.530 3.590 1.00 0.00 O ATOM 701 CB LYS A 41 5.934 -11.818 2.814 1.00 0.00 C ATOM 702 CG LYS A 41 6.337 -11.477 4.250 1.00 0.00 C ATOM 703 CD LYS A 41 6.337 -12.727 5.132 1.00 0.00 C ATOM 704 CE LYS A 41 6.610 -12.368 6.593 1.00 0.00 C ATOM 705 NZ LYS A 41 8.017 -11.943 6.768 1.00 0.00 N ATOM 0 H LYS A 41 4.753 -12.501 0.757 1.00 0.00 H new ATOM 0 HA LYS A 41 3.905 -11.964 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.100 -12.879 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.566 -11.269 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.328 -11.024 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.647 -10.739 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.375 -13.233 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.095 -13.426 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.940 -11.568 6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.402 -13.228 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.209 -11.784 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.651 -12.684 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.181 -11.061 6.242 1.00 0.00 H new ATOM 718 N GLU A 42 4.652 -9.244 1.664 1.00 0.00 N ATOM 719 CA GLU A 42 4.441 -7.807 1.621 1.00 0.00 C ATOM 720 C GLU A 42 2.944 -7.490 1.651 1.00 0.00 C ATOM 721 O GLU A 42 2.497 -6.661 2.443 1.00 0.00 O ATOM 722 CB GLU A 42 5.106 -7.191 0.389 1.00 0.00 C ATOM 723 CG GLU A 42 5.903 -5.940 0.764 1.00 0.00 C ATOM 724 CD GLU A 42 7.301 -5.973 0.143 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.214 -6.597 0.704 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.422 -5.322 -0.964 1.00 0.00 O ATOM 0 H GLU A 42 5.197 -9.618 0.887 1.00 0.00 H new ATOM 0 HA GLU A 42 4.905 -7.365 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.767 -7.922 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.346 -6.935 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.372 -5.051 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.985 -5.868 1.849 1.00 0.00 H new ATOM 734 N LEU A 43 2.210 -8.167 0.780 1.00 0.00 N ATOM 735 CA LEU A 43 0.773 -7.968 0.697 1.00 0.00 C ATOM 736 C LEU A 43 0.192 -7.889 2.110 1.00 0.00 C ATOM 737 O LEU A 43 -0.606 -7.001 2.408 1.00 0.00 O ATOM 738 CB LEU A 43 0.132 -9.051 -0.173 1.00 0.00 C ATOM 739 CG LEU A 43 0.676 -9.176 -1.597 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.405 -9.681 -2.555 1.00 0.00 C ATOM 741 CD2 LEU A 43 1.288 -7.856 -2.069 1.00 0.00 C ATOM 0 H LEU A 43 2.584 -8.854 0.125 1.00 0.00 H new ATOM 0 HA LEU A 43 0.546 -7.022 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.255 -10.011 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.939 -8.857 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 43 1.475 -9.918 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.008 -9.761 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.753 -10.660 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.241 -8.982 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.667 -7.973 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.527 -7.076 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.107 -7.577 -1.406 1.00 0.00 H new ATOM 753 N SER A 44 0.613 -8.830 2.942 1.00 0.00 N ATOM 754 CA SER A 44 0.144 -8.879 4.317 1.00 0.00 C ATOM 755 C SER A 44 0.154 -7.474 4.923 1.00 0.00 C ATOM 756 O SER A 44 -0.734 -7.122 5.697 1.00 0.00 O ATOM 757 CB SER A 44 1.000 -9.827 5.158 1.00 0.00 C ATOM 758 OG SER A 44 0.206 -10.763 5.883 1.00 0.00 O ATOM 0 H SER A 44 1.274 -9.565 2.691 1.00 0.00 H new ATOM 0 HA SER A 44 -0.877 -9.260 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.691 -10.364 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.604 -9.247 5.856 1.00 0.00 H new ATOM 0 HG SER A 44 0.790 -11.351 6.406 1.00 0.00 H new ATOM 764 N GLU A 45 1.170 -6.710 4.548 1.00 0.00 N ATOM 765 CA GLU A 45 1.308 -5.352 5.046 1.00 0.00 C ATOM 766 C GLU A 45 0.299 -4.430 4.359 1.00 0.00 C ATOM 767 O GLU A 45 -0.478 -3.748 5.026 1.00 0.00 O ATOM 768 CB GLU A 45 2.737 -4.841 4.853 1.00 0.00 C ATOM 769 CG GLU A 45 3.758 -5.938 5.161 1.00 0.00 C ATOM 770 CD GLU A 45 3.451 -6.613 6.499 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.415 -7.282 6.632 1.00 0.00 O ATOM 772 OE2 GLU A 45 4.334 -6.425 7.420 1.00 0.00 O ATOM 0 H GLU A 45 1.905 -7.006 3.905 1.00 0.00 H new ATOM 0 HA GLU A 45 1.099 -5.354 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.868 -4.495 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.911 -3.984 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.750 -6.682 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.760 -5.510 5.187 1.00 0.00 H new ATOM 780 N PHE A 46 0.343 -4.439 3.035 1.00 0.00 N ATOM 781 CA PHE A 46 -0.558 -3.611 2.251 1.00 0.00 C ATOM 782 C PHE A 46 -2.001 -3.756 2.741 1.00 0.00 C ATOM 783 O PHE A 46 -2.731 -2.770 2.831 1.00 0.00 O ATOM 784 CB PHE A 46 -0.472 -4.103 0.805 1.00 0.00 C ATOM 785 CG PHE A 46 0.191 -3.109 -0.152 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.531 -2.890 -0.084 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.561 -2.444 -1.069 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.146 -1.968 -0.971 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.054 -1.521 -1.957 1.00 0.00 C ATOM 790 CZ PHE A 46 1.394 -1.303 -1.889 1.00 0.00 C ATOM 0 H PHE A 46 0.988 -5.006 2.485 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.275 -2.562 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.085 -5.040 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.478 -4.322 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.128 -3.418 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.626 -2.617 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.211 -1.795 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.543 -0.993 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.862 -0.602 -2.564 1.00 0.00 H new ATOM 800 N SER A 47 -2.368 -4.992 3.043 1.00 0.00 N ATOM 801 CA SER A 47 -3.710 -5.278 3.521 1.00 0.00 C ATOM 802 C SER A 47 -3.971 -4.528 4.829 1.00 0.00 C ATOM 803 O SER A 47 -5.120 -4.271 5.183 1.00 0.00 O ATOM 804 CB SER A 47 -3.915 -6.781 3.721 1.00 0.00 C ATOM 805 OG SER A 47 -5.246 -7.089 4.126 1.00 0.00 O ATOM 0 H SER A 47 -1.760 -5.807 2.966 1.00 0.00 H new ATOM 0 HA SER A 47 -4.421 -4.939 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.688 -7.305 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.214 -7.146 4.472 1.00 0.00 H new ATOM 0 HG SER A 47 -5.337 -8.058 4.242 1.00 0.00 H new ATOM 811 N GLU A 48 -2.884 -4.199 5.512 1.00 0.00 N ATOM 812 CA GLU A 48 -2.981 -3.483 6.773 1.00 0.00 C ATOM 813 C GLU A 48 -3.063 -1.976 6.523 1.00 0.00 C ATOM 814 O GLU A 48 -3.897 -1.290 7.113 1.00 0.00 O ATOM 815 CB GLU A 48 -1.803 -3.824 7.688 1.00 0.00 C ATOM 816 CG GLU A 48 -2.221 -4.816 8.774 1.00 0.00 C ATOM 817 CD GLU A 48 -1.425 -6.118 8.664 1.00 0.00 C ATOM 818 OE1 GLU A 48 -0.378 -6.261 9.313 1.00 0.00 O ATOM 819 OE2 GLU A 48 -1.931 -7.001 7.871 1.00 0.00 O ATOM 0 H GLU A 48 -1.932 -4.415 5.216 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.894 -3.797 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.990 -4.247 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.421 -2.913 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.064 -4.372 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.286 -5.029 8.687 1.00 0.00 H new ATOM 827 N ILE A 49 -2.187 -1.505 5.648 1.00 0.00 N ATOM 828 CA ILE A 49 -2.150 -0.091 5.313 1.00 0.00 C ATOM 829 C ILE A 49 -3.385 0.264 4.482 1.00 0.00 C ATOM 830 O ILE A 49 -4.048 1.266 4.745 1.00 0.00 O ATOM 831 CB ILE A 49 -0.827 0.264 4.632 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.009 1.229 5.493 1.00 0.00 C ATOM 833 CG2 ILE A 49 -1.065 0.814 3.224 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.396 1.421 4.918 1.00 0.00 C ATOM 0 H ILE A 49 -1.497 -2.077 5.161 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.189 0.516 6.217 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.242 -0.649 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.517 2.192 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.060 0.845 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.108 1.058 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.577 0.063 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.679 1.712 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.956 2.111 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.910 0.460 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.324 1.828 3.910 1.00 0.00 H new ATOM 846 N LEU A 50 -3.656 -0.578 3.495 1.00 0.00 N ATOM 847 CA LEU A 50 -4.799 -0.365 2.623 1.00 0.00 C ATOM 848 C LEU A 50 -6.044 -0.113 3.475 1.00 0.00 C ATOM 849 O LEU A 50 -6.940 0.626 3.068 1.00 0.00 O ATOM 850 CB LEU A 50 -4.949 -1.531 1.643 1.00 0.00 C ATOM 851 CG LEU A 50 -3.911 -1.602 0.521 1.00 0.00 C ATOM 852 CD1 LEU A 50 -4.066 -2.892 -0.287 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.976 -0.358 -0.366 1.00 0.00 C ATOM 0 H LEU A 50 -3.104 -1.408 3.280 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.649 0.522 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.908 -2.462 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.940 -1.475 1.192 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.919 -1.622 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.317 -2.918 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.930 -3.751 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.062 -2.927 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.228 -0.434 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.968 -0.281 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.779 0.529 0.236 1.00 0.00 H new ATOM 865 N GLU A 51 -6.062 -0.741 4.641 1.00 0.00 N ATOM 866 CA GLU A 51 -7.183 -0.594 5.554 1.00 0.00 C ATOM 867 C GLU A 51 -7.708 0.842 5.522 1.00 0.00 C ATOM 868 O GLU A 51 -8.909 1.071 5.656 1.00 0.00 O ATOM 869 CB GLU A 51 -6.791 -1.004 6.974 1.00 0.00 C ATOM 870 CG GLU A 51 -6.553 -2.513 7.064 1.00 0.00 C ATOM 871 CD GLU A 51 -7.559 -3.171 8.010 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.282 -3.309 9.211 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.663 -3.545 7.458 1.00 0.00 O ATOM 0 H GLU A 51 -5.318 -1.353 4.975 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.982 -1.259 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.888 -0.472 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.578 -0.714 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.636 -2.958 6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.539 -2.705 7.415 1.00 0.00 H new ATOM 881 N PHE A 52 -6.782 1.773 5.345 1.00 0.00 N ATOM 882 CA PHE A 52 -7.136 3.181 5.295 1.00 0.00 C ATOM 883 C PHE A 52 -7.621 3.575 3.898 1.00 0.00 C ATOM 884 O PHE A 52 -7.184 3.003 2.901 1.00 0.00 O ATOM 885 CB PHE A 52 -5.869 3.973 5.624 1.00 0.00 C ATOM 886 CG PHE A 52 -5.752 4.378 7.095 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.778 5.032 7.704 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.623 4.084 7.794 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.670 5.407 9.069 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.515 4.459 9.159 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.541 5.113 9.768 1.00 0.00 C ATOM 0 H PHE A 52 -5.787 1.579 5.234 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.940 3.388 6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.999 3.376 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.844 4.872 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.675 5.266 7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.808 3.565 7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.485 5.926 9.552 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.618 4.225 9.714 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.459 5.399 10.806 1.00 0.00 H new ATOM 901 N GLN A 53 -8.517 4.550 3.871 1.00 0.00 N ATOM 902 CA GLN A 53 -9.066 5.027 2.613 1.00 0.00 C ATOM 903 C GLN A 53 -8.117 6.040 1.970 1.00 0.00 C ATOM 904 O GLN A 53 -7.153 6.477 2.596 1.00 0.00 O ATOM 905 CB GLN A 53 -10.457 5.632 2.816 1.00 0.00 C ATOM 906 CG GLN A 53 -11.176 4.969 3.993 1.00 0.00 C ATOM 907 CD GLN A 53 -12.663 4.775 3.688 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.113 4.899 2.561 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.398 4.465 4.752 1.00 0.00 N ATOM 0 H GLN A 53 -8.877 5.023 4.700 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.170 4.177 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.369 6.703 2.996 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.047 5.509 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.716 4.004 4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.061 5.583 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.958 4.377 5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.402 4.316 4.652 1.00 0.00 H new ATOM 918 N ASP A 54 -8.423 6.384 0.728 1.00 0.00 N ATOM 919 CA ASP A 54 -7.609 7.337 -0.007 1.00 0.00 C ATOM 920 C ASP A 54 -7.317 8.546 0.884 1.00 0.00 C ATOM 921 O ASP A 54 -6.158 8.863 1.146 1.00 0.00 O ATOM 922 CB ASP A 54 -8.338 7.836 -1.257 1.00 0.00 C ATOM 923 CG ASP A 54 -9.029 6.747 -2.080 1.00 0.00 C ATOM 924 OD1 ASP A 54 -9.783 5.922 -1.543 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.764 6.768 -3.342 1.00 0.00 O ATOM 0 H ASP A 54 -9.224 6.020 0.212 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.688 6.835 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.084 8.571 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.621 8.353 -1.895 1.00 0.00 H new ATOM 931 N GLN A 55 -8.388 9.188 1.325 1.00 0.00 N ATOM 932 CA GLN A 55 -8.262 10.355 2.182 1.00 0.00 C ATOM 933 C GLN A 55 -7.269 10.078 3.312 1.00 0.00 C ATOM 934 O GLN A 55 -6.245 10.752 3.424 1.00 0.00 O ATOM 935 CB GLN A 55 -9.623 10.777 2.739 1.00 0.00 C ATOM 936 CG GLN A 55 -9.695 12.294 2.918 1.00 0.00 C ATOM 937 CD GLN A 55 -9.784 12.668 4.399 1.00 0.00 C ATOM 938 OE1 GLN A 55 -9.031 12.191 5.233 1.00 0.00 O ATOM 939 NE2 GLN A 55 -10.744 13.545 4.679 1.00 0.00 N ATOM 0 H GLN A 55 -9.348 8.922 1.105 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.880 11.182 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.414 10.449 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.796 10.286 3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.814 12.758 2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.563 12.686 2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.339 13.905 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.885 13.858 5.640 1.00 0.00 H new ATOM 948 N GLU A 56 -7.605 9.085 4.123 1.00 0.00 N ATOM 949 CA GLU A 56 -6.756 8.711 5.241 1.00 0.00 C ATOM 950 C GLU A 56 -5.328 8.446 4.757 1.00 0.00 C ATOM 951 O GLU A 56 -4.371 8.987 5.309 1.00 0.00 O ATOM 952 CB GLU A 56 -7.321 7.494 5.976 1.00 0.00 C ATOM 953 CG GLU A 56 -8.668 7.821 6.623 1.00 0.00 C ATOM 954 CD GLU A 56 -8.505 8.864 7.730 1.00 0.00 C ATOM 955 OE1 GLU A 56 -8.420 10.067 7.441 1.00 0.00 O ATOM 956 OE2 GLU A 56 -8.470 8.386 8.928 1.00 0.00 O ATOM 0 H GLU A 56 -8.454 8.528 4.028 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.732 9.541 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.441 6.666 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.616 7.167 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.358 8.194 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.107 6.913 7.036 1.00 0.00 H new ATOM 964 N LEU A 57 -5.230 7.613 3.731 1.00 0.00 N ATOM 965 CA LEU A 57 -3.936 7.270 3.168 1.00 0.00 C ATOM 966 C LEU A 57 -3.160 8.553 2.864 1.00 0.00 C ATOM 967 O LEU A 57 -2.079 8.772 3.409 1.00 0.00 O ATOM 968 CB LEU A 57 -4.106 6.353 1.955 1.00 0.00 C ATOM 969 CG LEU A 57 -2.825 5.997 1.198 1.00 0.00 C ATOM 970 CD1 LEU A 57 -1.926 5.087 2.038 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.147 5.383 -0.166 1.00 0.00 C ATOM 0 H LEU A 57 -6.026 7.166 3.275 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.346 6.703 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.577 5.428 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.796 6.829 1.258 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.270 6.917 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.023 4.849 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.655 5.596 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.459 4.166 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.219 5.139 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.734 4.475 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.717 6.097 -0.761 1.00 0.00 H new ATOM 983 N LEU A 58 -3.742 9.367 1.995 1.00 0.00 N ATOM 984 CA LEU A 58 -3.118 10.622 1.613 1.00 0.00 C ATOM 985 C LEU A 58 -2.766 11.416 2.873 1.00 0.00 C ATOM 986 O LEU A 58 -1.598 11.717 3.115 1.00 0.00 O ATOM 987 CB LEU A 58 -4.011 11.387 0.633 1.00 0.00 C ATOM 988 CG LEU A 58 -3.286 12.156 -0.474 1.00 0.00 C ATOM 989 CD1 LEU A 58 -2.744 11.201 -1.539 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.191 13.232 -1.076 1.00 0.00 C ATOM 0 H LEU A 58 -4.638 9.182 1.545 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.185 10.438 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.696 10.679 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.619 12.092 1.200 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.430 12.666 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.233 11.772 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.042 10.504 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.570 10.645 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.652 13.764 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.080 12.765 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.487 13.936 -0.298 1.00 0.00 H new ATOM 1002 N ALA A 59 -3.797 11.733 3.642 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.611 12.486 4.870 1.00 0.00 C ATOM 1004 C ALA A 59 -2.472 11.862 5.679 1.00 0.00 C ATOM 1005 O ALA A 59 -1.616 12.573 6.202 1.00 0.00 O ATOM 1006 CB ALA A 59 -4.927 12.524 5.650 1.00 0.00 C ATOM 0 H ALA A 59 -4.764 11.482 3.438 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.332 13.516 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.788 13.089 6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.696 13.003 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.236 11.507 5.891 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.499 10.539 5.755 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.479 9.812 6.490 1.00 0.00 C ATOM 1014 C LEU A 60 -0.096 10.298 6.053 1.00 0.00 C ATOM 1015 O LEU A 60 0.654 10.852 6.856 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.678 8.303 6.333 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.292 7.578 7.533 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -2.886 6.232 7.115 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.271 7.429 8.663 1.00 0.00 C ATOM 0 H LEU A 60 -3.211 9.953 5.320 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.565 10.012 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.313 8.129 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.711 7.850 6.116 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.112 8.185 7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.316 5.738 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.664 6.394 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.102 5.604 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.732 6.911 9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.416 6.854 8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.937 8.416 8.984 1.00 0.00 H new ATOM 1031 N ILE A 61 0.201 10.073 4.781 1.00 0.00 N ATOM 1032 CA ILE A 61 1.480 10.482 4.227 1.00 0.00 C ATOM 1033 C ILE A 61 1.755 11.938 4.609 1.00 0.00 C ATOM 1034 O ILE A 61 2.859 12.274 5.034 1.00 0.00 O ATOM 1035 CB ILE A 61 1.519 10.224 2.720 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.595 8.725 2.422 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.661 10.998 2.060 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.236 8.436 0.963 1.00 0.00 C ATOM 0 H ILE A 61 -0.423 9.612 4.118 1.00 0.00 H new ATOM 0 HA ILE A 61 2.287 9.883 4.650 1.00 0.00 H new ATOM 0 HB ILE A 61 0.589 10.592 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.600 8.360 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.915 8.185 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.666 10.796 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.521 12.066 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.611 10.684 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.298 7.364 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.221 8.780 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.932 8.958 0.307 1.00 0.00 H new ATOM 1050 N ASN A 62 0.731 12.763 4.444 1.00 0.00 N ATOM 1051 CA ASN A 62 0.848 14.175 4.765 1.00 0.00 C ATOM 1052 C ASN A 62 1.128 14.331 6.261 1.00 0.00 C ATOM 1053 O ASN A 62 1.851 15.238 6.670 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.448 14.922 4.446 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.446 15.432 3.004 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -0.141 16.581 2.725 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.801 14.518 2.106 1.00 0.00 N ATOM 0 H ASN A 62 -0.184 12.480 4.092 1.00 0.00 H new ATOM 0 HA ASN A 62 1.659 14.591 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.301 14.261 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.567 15.761 5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.830 14.760 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.044 13.574 2.407 1.00 0.00 H new ATOM 1064 N GLY A 63 0.539 13.433 7.038 1.00 0.00 N ATOM 1065 CA GLY A 63 0.716 13.460 8.480 1.00 0.00 C ATOM 1066 C GLY A 63 -0.592 13.821 9.186 1.00 0.00 C ATOM 1067 O GLY A 63 -0.578 14.318 10.311 1.00 0.00 O ATOM 0 H GLY A 63 -0.061 12.682 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.063 12.486 8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.487 14.185 8.742 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.692 13.558 8.496 1.00 0.00 N ATOM 1072 CA HIS A 64 -3.007 13.849 9.042 1.00 0.00 C ATOM 1073 C HIS A 64 -3.431 12.722 9.987 1.00 0.00 C ATOM 1074 O HIS A 64 -3.261 12.828 11.200 1.00 0.00 O ATOM 1075 CB HIS A 64 -4.019 14.096 7.922 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.642 15.471 7.949 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -5.597 15.843 8.880 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -4.436 16.559 7.153 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.943 17.100 8.644 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.224 17.542 7.572 1.00 0.00 N ATOM 0 H HIS A 64 -1.700 13.146 7.563 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.967 14.769 9.625 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.525 13.951 6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.810 13.349 7.990 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.748 16.612 6.322 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.667 17.674 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.282 18.474 7.161 1.00 0.00 H new ATOM 1088 N SER A 65 -3.975 11.670 9.393 1.00 0.00 N ATOM 1089 CA SER A 65 -4.425 10.525 10.166 1.00 0.00 C ATOM 1090 C SER A 65 -3.251 9.924 10.943 1.00 0.00 C ATOM 1091 O SER A 65 -2.111 10.357 10.785 1.00 0.00 O ATOM 1092 CB SER A 65 -5.061 9.466 9.263 1.00 0.00 C ATOM 1093 OG SER A 65 -5.004 8.166 9.843 1.00 0.00 O ATOM 0 H SER A 65 -4.114 11.587 8.386 1.00 0.00 H new ATOM 0 HA SER A 65 -5.183 10.865 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.100 9.731 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.550 9.456 8.300 1.00 0.00 H new ATOM 0 HG SER A 65 -5.570 7.553 9.329 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.571 8.935 11.764 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.558 8.270 12.565 1.00 0.00 C ATOM 1101 C GLU A 66 -2.522 6.775 12.242 1.00 0.00 C ATOM 1102 O GLU A 66 -3.475 6.234 11.683 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.799 8.502 14.058 1.00 0.00 C ATOM 1104 CG GLU A 66 -4.116 7.865 14.506 1.00 0.00 C ATOM 1105 CD GLU A 66 -5.313 8.701 14.050 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -5.518 9.816 14.552 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -6.045 8.154 13.139 1.00 0.00 O ATOM 0 H GLU A 66 -4.518 8.578 11.892 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.588 8.699 12.316 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.974 8.082 14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.819 9.572 14.265 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.194 6.858 14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.127 7.770 15.592 1.00 0.00 H new ATOM 1115 N THR A 67 -1.413 6.149 12.607 1.00 0.00 N ATOM 1116 CA THR A 67 -1.240 4.727 12.363 1.00 0.00 C ATOM 1117 C THR A 67 -0.613 4.049 13.583 1.00 0.00 C ATOM 1118 O THR A 67 0.604 4.085 13.760 1.00 0.00 O ATOM 1119 CB THR A 67 -0.414 4.564 11.085 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.655 3.217 10.686 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.092 4.610 11.351 1.00 0.00 C ATOM 0 H THR A 67 -0.625 6.601 13.070 1.00 0.00 H new ATOM 0 HA THR A 67 -2.199 4.232 12.213 1.00 0.00 H new ATOM 0 HB THR A 67 -0.681 5.349 10.377 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.293 3.072 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.631 4.490 10.411 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.353 5.569 11.799 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.366 3.804 12.032 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.472 3.446 14.391 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.018 2.761 15.589 1.00 0.00 C ATOM 1131 C ASP A 68 -0.569 1.345 15.222 1.00 0.00 C ATOM 1132 O ASP A 68 -0.821 0.398 15.965 1.00 0.00 O ATOM 1133 CB ASP A 68 -2.143 2.648 16.620 1.00 0.00 C ATOM 1134 CG ASP A 68 -1.718 2.887 18.070 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -1.701 4.030 18.550 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -1.391 1.825 18.724 1.00 0.00 O ATOM 0 H ASP A 68 -2.480 3.418 14.240 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.196 3.336 16.015 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.924 3.364 16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.585 1.654 16.546 1.00 0.00 H new ATOM 1142 N LYS A 69 0.088 1.245 14.076 1.00 0.00 N ATOM 1143 CA LYS A 69 0.574 -0.039 13.601 1.00 0.00 C ATOM 1144 C LYS A 69 2.036 0.100 13.175 1.00 0.00 C ATOM 1145 O LYS A 69 2.334 0.731 12.162 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.339 -0.583 12.500 1.00 0.00 C ATOM 1147 CG LYS A 69 -1.808 -0.510 12.919 1.00 0.00 C ATOM 1148 CD LYS A 69 -2.601 -1.688 12.348 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.731 -2.098 13.294 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.747 -3.567 13.476 1.00 0.00 N ATOM 0 H LYS A 69 0.295 2.033 13.462 1.00 0.00 H new ATOM 0 HA LYS A 69 0.544 -0.778 14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.190 -0.012 11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.071 -1.616 12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.880 -0.512 14.007 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.243 0.428 12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.015 -1.416 11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.934 -2.534 12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.602 -1.607 14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.688 -1.765 12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.520 -3.829 14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.892 -4.029 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.840 -3.877 13.879 1.00 0.00 H new ATOM 1163 N GLY A 70 2.911 -0.500 13.969 1.00 0.00 N ATOM 1164 CA GLY A 70 4.335 -0.451 13.687 1.00 0.00 C ATOM 1165 C GLY A 70 4.657 -1.157 12.368 1.00 0.00 C ATOM 1166 O GLY A 70 5.754 -1.006 11.831 1.00 0.00 O ATOM 0 H GLY A 70 2.661 -1.023 14.808 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.664 0.587 13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.887 -0.922 14.500 1.00 0.00 H new ATOM 1170 N HIS A 71 3.682 -1.913 11.885 1.00 0.00 N ATOM 1171 CA HIS A 71 3.848 -2.643 10.640 1.00 0.00 C ATOM 1172 C HIS A 71 3.451 -1.748 9.464 1.00 0.00 C ATOM 1173 O HIS A 71 3.494 -2.176 8.311 1.00 0.00 O ATOM 1174 CB HIS A 71 3.069 -3.959 10.673 1.00 0.00 C ATOM 1175 CG HIS A 71 3.260 -4.754 11.943 1.00 0.00 C ATOM 1176 ND1 HIS A 71 2.353 -5.705 12.376 1.00 0.00 N ATOM 1177 CD2 HIS A 71 4.263 -4.729 12.868 1.00 0.00 C ATOM 1178 CE1 HIS A 71 2.799 -6.223 13.511 1.00 0.00 C ATOM 1179 NE2 HIS A 71 3.982 -5.616 13.814 1.00 0.00 N ATOM 0 H HIS A 71 2.774 -2.036 12.334 1.00 0.00 H new ATOM 0 HA HIS A 71 4.896 -2.912 10.509 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.008 -3.744 10.547 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.374 -4.571 9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.137 -4.095 12.836 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.312 -6.991 14.094 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.557 -5.812 14.634 1.00 0.00 H new ATOM 1187 N LEU A 72 3.074 -0.522 9.795 1.00 0.00 N ATOM 1188 CA LEU A 72 2.669 0.436 8.781 1.00 0.00 C ATOM 1189 C LEU A 72 3.655 1.606 8.769 1.00 0.00 C ATOM 1190 O LEU A 72 4.032 2.094 7.705 1.00 0.00 O ATOM 1191 CB LEU A 72 1.214 0.860 8.994 1.00 0.00 C ATOM 1192 CG LEU A 72 0.198 -0.276 9.125 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.196 0.269 9.444 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.196 -1.158 7.875 1.00 0.00 C ATOM 0 H LEU A 72 3.041 -0.170 10.752 1.00 0.00 H new ATOM 0 HA LEU A 72 2.702 -0.020 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.163 1.473 9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.915 1.494 8.159 1.00 0.00 H new ATOM 0 HG LEU A 72 0.497 -0.906 9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.899 -0.559 9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.165 0.820 10.384 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.518 0.935 8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.535 -1.957 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.065 -0.555 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.186 -1.590 7.733 1.00 0.00 H new ATOM 1206 N ILE A 73 4.044 2.023 9.966 1.00 0.00 N ATOM 1207 CA ILE A 73 4.978 3.126 10.106 1.00 0.00 C ATOM 1208 C ILE A 73 6.038 3.035 9.007 1.00 0.00 C ATOM 1209 O ILE A 73 6.302 4.014 8.311 1.00 0.00 O ATOM 1210 CB ILE A 73 5.561 3.158 11.521 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.707 4.028 12.446 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.023 3.606 11.502 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.521 4.517 13.645 1.00 0.00 C ATOM 0 H ILE A 73 3.729 1.616 10.847 1.00 0.00 H new ATOM 0 HA ILE A 73 4.464 4.078 9.975 1.00 0.00 H new ATOM 0 HB ILE A 73 5.540 2.145 11.922 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.320 4.883 11.892 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.846 3.458 12.795 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.413 3.620 12.520 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.608 2.912 10.899 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.092 4.606 11.074 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.890 5.133 14.286 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.886 3.660 14.211 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.367 5.107 13.294 1.00 0.00 H new ATOM 1225 N PRO A 74 6.633 1.818 8.882 1.00 0.00 N ATOM 1226 CA PRO A 74 7.658 1.586 7.879 1.00 0.00 C ATOM 1227 C PRO A 74 7.043 1.467 6.483 1.00 0.00 C ATOM 1228 O PRO A 74 7.391 2.228 5.581 1.00 0.00 O ATOM 1229 CB PRO A 74 8.366 0.317 8.326 1.00 0.00 C ATOM 1230 CG PRO A 74 7.419 -0.368 9.298 1.00 0.00 C ATOM 1231 CD PRO A 74 6.346 0.636 9.689 1.00 0.00 C ATOM 0 HA PRO A 74 8.363 2.413 7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.586 -0.328 7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.317 0.549 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.969 -1.247 8.837 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.960 -0.712 10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.348 0.249 9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.386 0.864 10.754 1.00 0.00 H new ATOM 1239 N MET A 75 6.140 0.508 6.349 1.00 0.00 N ATOM 1240 CA MET A 75 5.473 0.280 5.078 1.00 0.00 C ATOM 1241 C MET A 75 4.944 1.591 4.493 1.00 0.00 C ATOM 1242 O MET A 75 4.759 1.705 3.283 1.00 0.00 O ATOM 1243 CB MET A 75 4.311 -0.695 5.279 1.00 0.00 C ATOM 1244 CG MET A 75 4.824 -2.101 5.598 1.00 0.00 C ATOM 1245 SD MET A 75 5.008 -3.040 4.091 1.00 0.00 S ATOM 1246 CE MET A 75 6.549 -3.875 4.432 1.00 0.00 C ATOM 0 H MET A 75 5.854 -0.121 7.100 1.00 0.00 H new ATOM 0 HA MET A 75 6.196 -0.142 4.380 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.673 -0.344 6.090 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.696 -0.724 4.380 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.781 -2.039 6.117 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.130 -2.607 6.269 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.640 -4.748 3.786 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.380 -3.196 4.244 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.568 -4.192 5.475 1.00 0.00 H new ATOM 1256 N LEU A 76 4.717 2.548 5.381 1.00 0.00 N ATOM 1257 CA LEU A 76 4.213 3.847 4.968 1.00 0.00 C ATOM 1258 C LEU A 76 5.336 4.632 4.288 1.00 0.00 C ATOM 1259 O LEU A 76 5.093 5.376 3.339 1.00 0.00 O ATOM 1260 CB LEU A 76 3.582 4.579 6.154 1.00 0.00 C ATOM 1261 CG LEU A 76 2.057 4.502 6.255 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.551 5.256 7.486 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.397 4.998 4.967 1.00 0.00 C ATOM 0 H LEU A 76 4.873 2.450 6.384 1.00 0.00 H new ATOM 0 HA LEU A 76 3.415 3.730 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.008 4.176 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.870 5.629 6.103 1.00 0.00 H new ATOM 0 HG LEU A 76 1.775 3.457 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.464 5.186 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.983 4.817 8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.844 6.304 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.313 4.933 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.683 6.034 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.723 4.381 4.130 1.00 0.00 H new ATOM 1275 N GLU A 77 6.543 4.440 4.800 1.00 0.00 N ATOM 1276 CA GLU A 77 7.705 5.121 4.254 1.00 0.00 C ATOM 1277 C GLU A 77 7.931 4.703 2.800 1.00 0.00 C ATOM 1278 O GLU A 77 8.003 5.550 1.911 1.00 0.00 O ATOM 1279 CB GLU A 77 8.949 4.848 5.102 1.00 0.00 C ATOM 1280 CG GLU A 77 9.217 6.003 6.070 1.00 0.00 C ATOM 1281 CD GLU A 77 9.977 7.135 5.375 1.00 0.00 C ATOM 1282 OE1 GLU A 77 9.501 7.671 4.364 1.00 0.00 O ATOM 1283 OE2 GLU A 77 11.100 7.455 5.924 1.00 0.00 O ATOM 0 H GLU A 77 6.741 3.823 5.587 1.00 0.00 H new ATOM 0 HA GLU A 77 7.517 6.194 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.816 3.923 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.812 4.706 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.273 6.381 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.794 5.642 6.922 1.00 0.00 H new ATOM 1291 N LYS A 78 8.035 3.397 2.602 1.00 0.00 N ATOM 1292 CA LYS A 78 8.251 2.857 1.271 1.00 0.00 C ATOM 1293 C LYS A 78 7.076 3.245 0.371 1.00 0.00 C ATOM 1294 O LYS A 78 7.272 3.830 -0.694 1.00 0.00 O ATOM 1295 CB LYS A 78 8.501 1.349 1.339 1.00 0.00 C ATOM 1296 CG LYS A 78 7.214 0.595 1.680 1.00 0.00 C ATOM 1297 CD LYS A 78 7.498 -0.887 1.934 1.00 0.00 C ATOM 1298 CE LYS A 78 6.863 -1.761 0.850 1.00 0.00 C ATOM 1299 NZ LYS A 78 5.596 -2.350 1.335 1.00 0.00 N ATOM 0 H LYS A 78 7.974 2.697 3.341 1.00 0.00 H new ATOM 0 HA LYS A 78 9.149 3.286 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.890 0.998 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.261 1.136 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.752 1.037 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.501 0.697 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.575 -1.056 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.109 -1.173 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.675 -1.164 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.553 -2.554 0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.231 -3.019 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.767 -2.852 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.899 -1.594 1.489 1.00 0.00 H new ATOM 1312 N ILE A 79 5.881 2.905 0.831 1.00 0.00 N ATOM 1313 CA ILE A 79 4.675 3.211 0.081 1.00 0.00 C ATOM 1314 C ILE A 79 4.617 4.716 -0.190 1.00 0.00 C ATOM 1315 O ILE A 79 4.282 5.139 -1.295 1.00 0.00 O ATOM 1316 CB ILE A 79 3.442 2.668 0.805 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.501 1.144 0.920 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.155 3.142 0.126 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.665 0.651 2.104 1.00 0.00 C ATOM 0 H ILE A 79 5.722 2.420 1.714 1.00 0.00 H new ATOM 0 HA ILE A 79 4.692 2.713 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 79 3.437 3.068 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.135 0.692 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.536 0.825 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.293 2.742 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.117 4.231 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.137 2.791 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.724 -0.436 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.049 1.086 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.626 0.951 1.966 1.00 0.00 H new ATOM 1331 N ARG A 80 4.947 5.483 0.839 1.00 0.00 N ATOM 1332 CA ARG A 80 4.936 6.932 0.725 1.00 0.00 C ATOM 1333 C ARG A 80 5.845 7.382 -0.420 1.00 0.00 C ATOM 1334 O ARG A 80 5.520 8.322 -1.143 1.00 0.00 O ATOM 1335 CB ARG A 80 5.402 7.590 2.026 1.00 0.00 C ATOM 1336 CG ARG A 80 5.655 9.085 1.824 1.00 0.00 C ATOM 1337 CD ARG A 80 7.133 9.424 2.028 1.00 0.00 C ATOM 1338 NE ARG A 80 7.390 9.730 3.453 1.00 0.00 N ATOM 1339 CZ ARG A 80 8.536 10.274 3.915 1.00 0.00 C ATOM 1340 NH1 ARG A 80 9.542 10.577 3.067 1.00 0.00 N ATOM 1341 NH2 ARG A 80 8.659 10.505 5.209 1.00 0.00 N ATOM 0 H ARG A 80 5.223 5.129 1.755 1.00 0.00 H new ATOM 0 HA ARG A 80 3.911 7.241 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.649 7.446 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.315 7.107 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.346 9.377 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.047 9.658 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.754 8.587 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.408 10.278 1.409 1.00 0.00 H new ATOM 0 HE ARG A 80 6.656 9.517 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.440 10.395 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.404 10.988 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.895 10.273 5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.518 10.916 5.574 1.00 0.00 H new ATOM 1354 N ARG A 81 6.967 6.689 -0.550 1.00 0.00 N ATOM 1355 CA ARG A 81 7.926 7.005 -1.595 1.00 0.00 C ATOM 1356 C ARG A 81 7.229 7.056 -2.956 1.00 0.00 C ATOM 1357 O ARG A 81 7.192 8.104 -3.599 1.00 0.00 O ATOM 1358 CB ARG A 81 9.050 5.969 -1.643 1.00 0.00 C ATOM 1359 CG ARG A 81 10.394 6.631 -1.954 1.00 0.00 C ATOM 1360 CD ARG A 81 11.119 5.897 -3.083 1.00 0.00 C ATOM 1361 NE ARG A 81 11.914 4.777 -2.531 1.00 0.00 N ATOM 1362 CZ ARG A 81 12.344 3.724 -3.258 1.00 0.00 C ATOM 1363 NH1 ARG A 81 12.060 3.638 -4.575 1.00 0.00 N ATOM 1364 NH2 ARG A 81 13.048 2.780 -2.662 1.00 0.00 N ATOM 0 H ARG A 81 7.233 5.909 0.051 1.00 0.00 H new ATOM 0 HA ARG A 81 8.357 7.980 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.110 5.448 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.826 5.219 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.234 7.672 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.017 6.635 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.396 5.519 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.771 6.588 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 81 12.152 4.802 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.516 4.372 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.389 2.839 -5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.259 2.853 -1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.381 1.978 -3.197 1.00 0.00 H new ATOM 1377 N ALA A 82 6.695 5.911 -3.355 1.00 0.00 N ATOM 1378 CA ALA A 82 6.003 5.812 -4.628 1.00 0.00 C ATOM 1379 C ALA A 82 4.811 6.771 -4.631 1.00 0.00 C ATOM 1380 O ALA A 82 4.482 7.354 -5.663 1.00 0.00 O ATOM 1381 CB ALA A 82 5.583 4.360 -4.870 1.00 0.00 C ATOM 0 H ALA A 82 6.728 5.044 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 82 6.662 6.102 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.064 4.286 -5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.468 3.723 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.918 4.035 -4.070 1.00 0.00 H new