USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 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 17 SER OG : rot 73:sc= 2 USER MOD Set 1.2: A 48 THR OG1 : rot -17:sc= 1.21 USER MOD Single : A 6 THR OG1 : rot 132:sc= 1.27 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00485 USER MOD Single : A 40 TYR OH : rot -174:sc= 0.123 USER MOD Single : A 42 SER OG : rot -95:sc= 0.0684 USER MOD Single : A 46 MET CE :methyl -134:sc= -2.12 (180deg=-5.39!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 50:sc= 0.0202 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -68:sc= -0.11 USER MOD Single : A 79 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.0005) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.101 -8.104 0.891 1.00 0.86 N ATOM 45 CA LEU A 4 -10.084 -7.319 1.547 1.00 0.72 C ATOM 46 C LEU A 4 -8.724 -7.929 1.308 1.00 0.67 C ATOM 47 O LEU A 4 -8.516 -9.120 1.552 1.00 0.83 O ATOM 48 CB LEU A 4 -10.350 -7.180 3.060 1.00 0.71 C ATOM 49 CG LEU A 4 -11.262 -6.022 3.527 1.00 0.87 C ATOM 50 CD1 LEU A 4 -12.616 -6.036 2.846 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.433 -6.074 5.036 1.00 1.75 C ATOM 0 HA LEU A 4 -10.111 -6.317 1.118 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.789 -8.114 3.410 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.388 -7.072 3.561 1.00 0.71 H new ATOM 0 HG LEU A 4 -10.773 -5.090 3.243 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.215 -5.202 3.211 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -12.482 -5.943 1.768 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.125 -6.974 3.068 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -12.077 -5.255 5.358 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -11.886 -7.024 5.318 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.459 -5.980 5.516 1.00 1.75 H new ATOM 63 N LEU A 5 -7.833 -7.132 0.774 1.00 0.55 N ATOM 64 CA LEU A 5 -6.465 -7.556 0.548 1.00 0.51 C ATOM 65 C LEU A 5 -5.794 -7.824 1.873 1.00 0.46 C ATOM 66 O LEU A 5 -6.049 -7.121 2.870 1.00 0.50 O ATOM 67 CB LEU A 5 -5.629 -6.514 -0.222 1.00 0.53 C ATOM 68 CG LEU A 5 -5.396 -5.149 0.454 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.039 -4.613 0.076 1.00 0.66 C ATOM 70 CD2 LEU A 5 -6.442 -4.141 0.027 1.00 0.95 C ATOM 0 H LEU A 5 -8.029 -6.174 0.483 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.514 -8.458 -0.062 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -4.655 -6.955 -0.435 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.114 -6.336 -1.182 1.00 0.53 H new ATOM 0 HG LEU A 5 -5.461 -5.299 1.532 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -3.882 -3.648 0.558 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.268 -5.311 0.402 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -3.984 -4.492 -1.006 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -6.251 -3.188 0.520 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -6.397 -4.006 -1.054 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -7.431 -4.503 0.307 1.00 0.95 H new ATOM 82 N THR A 6 -4.960 -8.800 1.903 1.00 0.47 N ATOM 83 CA THR A 6 -4.280 -9.117 3.102 1.00 0.49 C ATOM 84 C THR A 6 -2.891 -8.495 3.093 1.00 0.40 C ATOM 85 O THR A 6 -2.539 -7.741 2.157 1.00 0.38 O ATOM 86 CB THR A 6 -4.224 -10.636 3.342 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.567 -11.291 2.233 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.630 -11.190 3.501 1.00 0.93 C ATOM 0 H THR A 6 -4.732 -9.394 1.106 1.00 0.47 H new ATOM 0 HA THR A 6 -4.840 -8.694 3.936 1.00 0.49 H new ATOM 0 HB THR A 6 -3.658 -10.825 4.254 1.00 0.70 H new ATOM 0 HG1 THR A 6 -2.891 -11.913 2.574 1.00 0.82 H new ATOM 0 HG21 THR A 6 -5.580 -12.266 3.670 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.116 -10.711 4.351 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.204 -10.991 2.596 1.00 0.93 H new ATOM 96 N THR A 7 -2.087 -8.828 4.073 1.00 0.44 N ATOM 97 CA THR A 7 -0.764 -8.278 4.182 1.00 0.42 C ATOM 98 C THR A 7 0.128 -8.828 3.065 1.00 0.37 C ATOM 99 O THR A 7 1.104 -8.206 2.665 1.00 0.39 O ATOM 100 CB THR A 7 -0.179 -8.640 5.548 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.197 -8.438 6.540 1.00 0.58 O ATOM 102 CG2 THR A 7 1.006 -7.752 5.874 1.00 0.54 C ATOM 0 H THR A 7 -2.333 -9.485 4.813 1.00 0.44 H new ATOM 0 HA THR A 7 -0.813 -7.193 4.084 1.00 0.42 H new ATOM 0 HB THR A 7 0.155 -9.677 5.534 1.00 0.50 H new ATOM 0 HG1 THR A 7 -0.842 -8.667 7.424 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.408 -8.025 6.850 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.777 -7.881 5.115 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.686 -6.710 5.892 1.00 0.54 H new ATOM 110 N ASP A 8 -0.294 -9.955 2.516 1.00 0.41 N ATOM 111 CA ASP A 8 0.428 -10.651 1.459 1.00 0.46 C ATOM 112 C ASP A 8 0.319 -9.856 0.189 1.00 0.42 C ATOM 113 O ASP A 8 1.293 -9.664 -0.531 1.00 0.47 O ATOM 114 CB ASP A 8 -0.187 -12.033 1.221 1.00 0.62 C ATOM 115 CG ASP A 8 -0.351 -12.826 2.482 1.00 1.41 C ATOM 116 OD1 ASP A 8 0.611 -13.494 2.927 1.00 1.98 O ATOM 117 OD2 ASP A 8 -1.450 -12.769 3.087 1.00 2.01 O ATOM 0 H ASP A 8 -1.158 -10.420 2.794 1.00 0.41 H new ATOM 0 HA ASP A 8 1.471 -10.763 1.755 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -1.160 -11.914 0.744 1.00 0.62 H new ATOM 0 HB3 ASP A 8 0.443 -12.590 0.527 1.00 0.62 H new ATOM 122 N ASP A 9 -0.879 -9.353 -0.060 1.00 0.41 N ATOM 123 CA ASP A 9 -1.158 -8.568 -1.252 1.00 0.46 C ATOM 124 C ASP A 9 -0.429 -7.264 -1.191 1.00 0.40 C ATOM 125 O ASP A 9 0.114 -6.798 -2.189 1.00 0.46 O ATOM 126 CB ASP A 9 -2.652 -8.298 -1.426 1.00 0.54 C ATOM 127 CG ASP A 9 -3.461 -9.543 -1.623 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.269 -10.236 -2.643 1.00 1.21 O ATOM 129 OD2 ASP A 9 -4.311 -9.846 -0.768 1.00 1.83 O ATOM 0 H ASP A 9 -1.683 -9.476 0.556 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.816 -9.151 -2.107 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -3.023 -7.767 -0.549 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.798 -7.639 -2.282 1.00 0.54 H new ATOM 134 N LEU A 10 -0.395 -6.689 -0.006 1.00 0.36 N ATOM 135 CA LEU A 10 0.277 -5.432 0.210 1.00 0.35 C ATOM 136 C LEU A 10 1.781 -5.623 0.017 1.00 0.33 C ATOM 137 O LEU A 10 2.431 -4.844 -0.664 1.00 0.36 O ATOM 138 CB LEU A 10 -0.031 -4.912 1.612 1.00 0.37 C ATOM 139 CG LEU A 10 0.473 -3.508 1.930 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.188 -2.486 1.021 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.214 -3.175 3.378 1.00 0.48 C ATOM 0 H LEU A 10 -0.831 -7.081 0.828 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.078 -4.695 -0.511 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.111 -4.930 1.755 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.398 -5.604 2.337 1.00 0.37 H new ATOM 0 HG LEU A 10 1.548 -3.477 1.754 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.184 -1.490 1.262 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.045 -2.718 -0.018 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.268 -2.515 1.166 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.579 -2.170 3.591 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -0.857 -3.222 3.576 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.733 -3.892 4.015 1.00 0.48 H new ATOM 153 N ARG A 11 2.294 -6.710 0.580 1.00 0.33 N ATOM 154 CA ARG A 11 3.698 -7.109 0.461 1.00 0.37 C ATOM 155 C ARG A 11 4.113 -7.231 -1.005 1.00 0.39 C ATOM 156 O ARG A 11 5.204 -6.809 -1.394 1.00 0.45 O ATOM 157 CB ARG A 11 3.908 -8.417 1.255 1.00 0.45 C ATOM 158 CG ARG A 11 5.211 -9.166 1.034 1.00 0.72 C ATOM 159 CD ARG A 11 5.462 -10.156 2.178 1.00 0.63 C ATOM 160 NE ARG A 11 4.297 -11.001 2.502 1.00 1.12 N ATOM 161 CZ ARG A 11 3.762 -11.119 3.740 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.290 -10.451 4.774 1.00 1.47 N ATOM 163 NH2 ARG A 11 2.714 -11.913 3.945 1.00 2.27 N ATOM 0 H ARG A 11 1.738 -7.354 1.144 1.00 0.33 H new ATOM 0 HA ARG A 11 4.344 -6.342 0.888 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.830 -8.183 2.317 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.086 -9.092 1.016 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.174 -9.700 0.085 1.00 0.72 H new ATOM 0 HG3 ARG A 11 6.038 -8.458 0.970 1.00 0.72 H new ATOM 0 HD2 ARG A 11 6.302 -10.798 1.912 1.00 0.63 H new ATOM 0 HD3 ARG A 11 5.755 -9.600 3.069 1.00 0.63 H new ATOM 0 HE ARG A 11 3.867 -11.531 1.744 1.00 1.12 H new ATOM 0 HH11 ARG A 11 5.101 -9.848 4.631 1.00 1.47 H new ATOM 0 HH12 ARG A 11 3.881 -10.545 5.704 1.00 1.47 H new ATOM 0 HH21 ARG A 11 2.310 -12.436 3.168 1.00 2.27 H new ATOM 0 HH22 ARG A 11 2.314 -11.999 4.879 1.00 2.27 H new ATOM 177 N ARG A 12 3.217 -7.753 -1.811 1.00 0.40 N ATOM 178 CA ARG A 12 3.442 -7.875 -3.233 1.00 0.48 C ATOM 179 C ARG A 12 3.384 -6.513 -3.925 1.00 0.47 C ATOM 180 O ARG A 12 4.218 -6.208 -4.770 1.00 0.50 O ATOM 181 CB ARG A 12 2.417 -8.818 -3.849 1.00 0.56 C ATOM 182 CG ARG A 12 2.583 -10.266 -3.429 1.00 0.94 C ATOM 183 CD ARG A 12 1.482 -11.130 -4.000 1.00 1.18 C ATOM 184 NE ARG A 12 1.702 -12.552 -3.737 1.00 1.76 N ATOM 185 CZ ARG A 12 1.017 -13.545 -4.310 1.00 2.29 C ATOM 186 NH1 ARG A 12 -0.051 -13.270 -5.062 1.00 2.31 N ATOM 187 NH2 ARG A 12 1.368 -14.800 -4.085 1.00 3.30 N ATOM 0 H ARG A 12 2.312 -8.105 -1.499 1.00 0.40 H new ATOM 0 HA ARG A 12 4.441 -8.286 -3.379 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.417 -8.482 -3.573 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.486 -8.755 -4.935 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.551 -10.636 -3.766 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.576 -10.335 -2.341 1.00 0.94 H new ATOM 0 HD2 ARG A 12 0.526 -10.827 -3.573 1.00 1.18 H new ATOM 0 HD3 ARG A 12 1.416 -10.967 -5.076 1.00 1.18 H new ATOM 0 HE ARG A 12 2.430 -12.803 -3.068 1.00 1.76 H new ATOM 0 HH11 ARG A 12 -0.343 -12.302 -5.199 1.00 2.31 H new ATOM 0 HH12 ARG A 12 -0.575 -14.028 -5.500 1.00 2.31 H new ATOM 0 HH21 ARG A 12 2.159 -15.007 -3.476 1.00 3.30 H new ATOM 0 HH22 ARG A 12 0.847 -15.561 -4.521 1.00 3.30 H new ATOM 201 N ALA A 13 2.408 -5.700 -3.539 1.00 0.47 N ATOM 202 CA ALA A 13 2.180 -4.379 -4.141 1.00 0.53 C ATOM 203 C ALA A 13 3.402 -3.455 -4.040 1.00 0.46 C ATOM 204 O ALA A 13 3.747 -2.772 -5.022 1.00 0.48 O ATOM 205 CB ALA A 13 0.957 -3.713 -3.536 1.00 0.63 C ATOM 0 H ALA A 13 1.747 -5.933 -2.798 1.00 0.47 H new ATOM 0 HA ALA A 13 2.003 -4.551 -5.203 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.809 -2.737 -3.997 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.079 -4.335 -3.712 1.00 0.63 H new ATOM 0 HB3 ALA A 13 1.104 -3.589 -2.463 1.00 0.63 H new ATOM 211 N LEU A 14 4.049 -3.425 -2.866 1.00 0.42 N ATOM 212 CA LEU A 14 5.267 -2.626 -2.686 1.00 0.39 C ATOM 213 C LEU A 14 6.344 -3.072 -3.675 1.00 0.40 C ATOM 214 O LEU A 14 6.940 -2.251 -4.383 1.00 0.46 O ATOM 215 CB LEU A 14 5.814 -2.684 -1.232 1.00 0.45 C ATOM 216 CG LEU A 14 5.149 -1.787 -0.145 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.206 -0.322 -0.520 1.00 0.44 C ATOM 218 CD2 LEU A 14 3.729 -2.199 0.162 1.00 1.00 C ATOM 0 H LEU A 14 3.753 -3.939 -2.036 1.00 0.42 H new ATOM 0 HA LEU A 14 4.998 -1.588 -2.883 1.00 0.39 H new ATOM 0 HB2 LEU A 14 5.745 -3.718 -0.894 1.00 0.45 H new ATOM 0 HB3 LEU A 14 6.873 -2.430 -1.267 1.00 0.45 H new ATOM 0 HG LEU A 14 5.732 -1.934 0.764 1.00 0.54 H new ATOM 0 HD11 LEU A 14 4.733 0.272 0.262 1.00 0.44 H new ATOM 0 HD12 LEU A 14 6.246 -0.015 -0.630 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.680 -0.167 -1.462 1.00 0.44 H new ATOM 0 HD21 LEU A 14 3.316 -1.540 0.926 1.00 1.00 H new ATOM 0 HD22 LEU A 14 3.126 -2.129 -0.743 1.00 1.00 H new ATOM 0 HD23 LEU A 14 3.719 -3.227 0.526 1.00 1.00 H new ATOM 230 N VAL A 15 6.533 -4.384 -3.773 1.00 0.44 N ATOM 231 CA VAL A 15 7.520 -4.971 -4.681 1.00 0.53 C ATOM 232 C VAL A 15 7.195 -4.597 -6.135 1.00 0.55 C ATOM 233 O VAL A 15 8.076 -4.199 -6.881 1.00 0.64 O ATOM 234 CB VAL A 15 7.587 -6.521 -4.521 1.00 0.61 C ATOM 235 CG1 VAL A 15 8.599 -7.133 -5.482 1.00 0.74 C ATOM 236 CG2 VAL A 15 7.949 -6.890 -3.090 1.00 0.64 C ATOM 0 H VAL A 15 6.010 -5.070 -3.229 1.00 0.44 H new ATOM 0 HA VAL A 15 8.498 -4.566 -4.421 1.00 0.53 H new ATOM 0 HB VAL A 15 6.602 -6.922 -4.759 1.00 0.61 H new ATOM 0 HG11 VAL A 15 8.622 -8.214 -5.346 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.312 -6.902 -6.508 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.588 -6.721 -5.280 1.00 0.74 H new ATOM 0 HG21 VAL A 15 7.992 -7.975 -2.994 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.921 -6.465 -2.839 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.194 -6.495 -2.410 1.00 0.64 H new ATOM 246 N GLU A 16 5.918 -4.690 -6.502 1.00 0.59 N ATOM 247 CA GLU A 16 5.444 -4.331 -7.854 1.00 0.69 C ATOM 248 C GLU A 16 5.737 -2.864 -8.199 1.00 0.65 C ATOM 249 O GLU A 16 5.856 -2.501 -9.374 1.00 0.77 O ATOM 250 CB GLU A 16 3.934 -4.576 -7.983 1.00 0.89 C ATOM 251 CG GLU A 16 3.519 -6.030 -7.938 1.00 1.11 C ATOM 252 CD GLU A 16 4.095 -6.828 -9.078 1.00 1.54 C ATOM 253 OE1 GLU A 16 3.709 -6.579 -10.241 1.00 1.95 O ATOM 254 OE2 GLU A 16 4.892 -7.754 -8.827 1.00 2.18 O ATOM 0 H GLU A 16 5.178 -5.014 -5.879 1.00 0.59 H new ATOM 0 HA GLU A 16 5.987 -4.968 -8.552 1.00 0.69 H new ATOM 0 HB2 GLU A 16 3.424 -4.043 -7.181 1.00 0.89 H new ATOM 0 HB3 GLU A 16 3.589 -4.144 -8.922 1.00 0.89 H new ATOM 0 HG2 GLU A 16 3.841 -6.468 -6.993 1.00 1.11 H new ATOM 0 HG3 GLU A 16 2.431 -6.095 -7.966 1.00 1.11 H new ATOM 261 N SER A 17 5.839 -2.037 -7.186 1.00 0.59 N ATOM 262 CA SER A 17 6.086 -0.633 -7.382 1.00 0.64 C ATOM 263 C SER A 17 7.565 -0.386 -7.685 1.00 0.74 C ATOM 264 O SER A 17 7.908 0.333 -8.631 1.00 1.04 O ATOM 265 CB SER A 17 5.662 0.130 -6.142 1.00 0.68 C ATOM 266 OG SER A 17 4.330 -0.206 -5.793 1.00 1.27 O ATOM 0 H SER A 17 5.753 -2.318 -6.209 1.00 0.59 H new ATOM 0 HA SER A 17 5.505 -0.282 -8.235 1.00 0.64 H new ATOM 0 HB2 SER A 17 6.332 -0.104 -5.315 1.00 0.68 H new ATOM 0 HB3 SER A 17 5.739 1.202 -6.322 1.00 0.68 H new ATOM 0 HG SER A 17 4.308 -1.113 -5.423 1.00 1.27 H new ATOM 272 N ALA A 18 8.431 -1.000 -6.899 1.00 0.70 N ATOM 273 CA ALA A 18 9.863 -0.820 -7.058 1.00 0.87 C ATOM 274 C ALA A 18 10.394 -1.633 -8.231 1.00 1.05 C ATOM 275 O ALA A 18 11.269 -1.179 -8.978 1.00 1.57 O ATOM 276 CB ALA A 18 10.586 -1.191 -5.777 1.00 0.95 C ATOM 0 H ALA A 18 8.166 -1.630 -6.142 1.00 0.70 H new ATOM 0 HA ALA A 18 10.051 0.232 -7.272 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.659 -1.051 -5.911 1.00 0.95 H new ATOM 0 HB2 ALA A 18 10.236 -0.555 -4.964 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.384 -2.234 -5.534 1.00 0.95 H new ATOM 400 N ASP A 29 7.499 -8.175 8.816 1.00 0.90 N ATOM 401 CA ASP A 29 6.491 -7.234 9.225 1.00 0.83 C ATOM 402 C ASP A 29 6.898 -5.861 8.801 1.00 0.79 C ATOM 403 O ASP A 29 7.703 -5.199 9.448 1.00 1.33 O ATOM 404 CB ASP A 29 6.219 -7.243 10.721 1.00 1.20 C ATOM 405 CG ASP A 29 5.048 -6.331 11.088 1.00 1.95 C ATOM 406 OD1 ASP A 29 5.221 -5.100 11.063 1.00 2.68 O ATOM 407 OD2 ASP A 29 3.930 -6.818 11.377 1.00 2.44 O ATOM 0 HA ASP A 29 5.563 -7.537 8.740 1.00 0.83 H new ATOM 0 HB2 ASP A 29 6.003 -8.261 11.046 1.00 1.20 H new ATOM 0 HB3 ASP A 29 7.113 -6.921 11.255 1.00 1.20 H new ATOM 412 N PHE A 30 6.394 -5.466 7.690 1.00 0.42 N ATOM 413 CA PHE A 30 6.643 -4.176 7.160 1.00 0.36 C ATOM 414 C PHE A 30 5.476 -3.268 7.483 1.00 0.32 C ATOM 415 O PHE A 30 5.391 -2.162 6.992 1.00 0.35 O ATOM 416 CB PHE A 30 6.876 -4.257 5.645 1.00 0.37 C ATOM 417 CG PHE A 30 5.649 -4.647 4.843 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.164 -5.939 4.891 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.999 -3.728 4.031 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.065 -6.306 4.152 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.902 -4.092 3.295 1.00 0.42 C ATOM 422 CZ PHE A 30 3.385 -5.338 3.408 1.00 0.46 C ATOM 0 H PHE A 30 5.784 -6.043 7.111 1.00 0.42 H new ATOM 0 HA PHE A 30 7.545 -3.764 7.613 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.233 -3.290 5.292 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.668 -4.980 5.449 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.654 -6.670 5.517 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.363 -2.712 3.979 1.00 0.38 H new ATOM 0 HE1 PHE A 30 3.730 -7.333 4.146 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.447 -3.381 2.621 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.451 -5.583 2.925 1.00 0.46 H new ATOM 432 N LEU A 31 4.593 -3.731 8.352 1.00 0.35 N ATOM 433 CA LEU A 31 3.433 -2.954 8.711 1.00 0.36 C ATOM 434 C LEU A 31 3.814 -1.893 9.703 1.00 0.39 C ATOM 435 O LEU A 31 3.411 -0.758 9.569 1.00 0.46 O ATOM 436 CB LEU A 31 2.303 -3.826 9.253 1.00 0.40 C ATOM 437 CG LEU A 31 1.708 -4.838 8.273 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.600 -5.616 8.942 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.185 -4.138 7.025 1.00 0.38 C ATOM 0 H LEU A 31 4.662 -4.637 8.816 1.00 0.35 H new ATOM 0 HA LEU A 31 3.057 -2.477 7.806 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.674 -4.368 10.123 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.502 -3.173 9.601 1.00 0.40 H new ATOM 0 HG LEU A 31 2.494 -5.530 7.971 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.182 -6.334 8.236 1.00 0.45 H new ATOM 0 HD12 LEU A 31 0.999 -6.147 9.807 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.182 -4.929 9.267 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.766 -4.877 6.342 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.411 -3.424 7.306 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.003 -3.612 6.533 1.00 0.38 H new ATOM 451 N ASP A 32 4.629 -2.253 10.686 1.00 0.43 N ATOM 452 CA ASP A 32 5.112 -1.250 11.640 1.00 0.52 C ATOM 453 C ASP A 32 6.394 -0.622 11.120 1.00 0.50 C ATOM 454 O ASP A 32 7.064 0.160 11.812 1.00 0.66 O ATOM 455 CB ASP A 32 5.305 -1.803 13.063 1.00 0.69 C ATOM 456 CG ASP A 32 4.004 -2.193 13.752 1.00 1.46 C ATOM 457 OD1 ASP A 32 3.221 -1.295 14.098 1.00 1.95 O ATOM 458 OD2 ASP A 32 3.715 -3.413 13.926 1.00 2.20 O ATOM 0 H ASP A 32 4.965 -3.203 10.846 1.00 0.43 H new ATOM 0 HA ASP A 32 4.338 -0.487 11.723 1.00 0.52 H new ATOM 0 HB2 ASP A 32 5.957 -2.675 13.019 1.00 0.69 H new ATOM 0 HB3 ASP A 32 5.815 -1.054 13.668 1.00 0.69 H new ATOM 463 N LEU A 33 6.736 -0.983 9.905 1.00 0.42 N ATOM 464 CA LEU A 33 7.831 -0.386 9.185 1.00 0.50 C ATOM 465 C LEU A 33 7.287 0.808 8.452 1.00 0.45 C ATOM 466 O LEU A 33 6.208 0.748 7.920 1.00 0.57 O ATOM 467 CB LEU A 33 8.456 -1.378 8.178 1.00 0.66 C ATOM 468 CG LEU A 33 9.381 -2.462 8.730 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.910 -3.302 7.591 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.540 -1.840 9.462 1.00 1.18 C ATOM 0 H LEU A 33 6.251 -1.713 9.382 1.00 0.42 H new ATOM 0 HA LEU A 33 8.616 -0.099 9.884 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.643 -1.871 7.644 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.017 -0.801 7.443 1.00 0.66 H new ATOM 0 HG LEU A 33 8.815 -3.085 9.422 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.570 -4.075 7.985 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.077 -3.769 7.066 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.466 -2.669 6.899 1.00 1.52 H new ATOM 0 HD21 LEU A 33 11.189 -2.625 9.849 1.00 1.18 H new ATOM 0 HD22 LEU A 33 11.105 -1.206 8.778 1.00 1.18 H new ATOM 0 HD23 LEU A 33 10.166 -1.237 10.290 1.00 1.18 H new ATOM 482 N ARG A 34 7.991 1.889 8.457 1.00 0.43 N ATOM 483 CA ARG A 34 7.527 3.059 7.802 1.00 0.42 C ATOM 484 C ARG A 34 8.182 3.257 6.444 1.00 0.36 C ATOM 485 O ARG A 34 9.242 2.695 6.171 1.00 0.45 O ATOM 486 CB ARG A 34 7.627 4.272 8.703 1.00 0.58 C ATOM 487 CG ARG A 34 8.916 4.447 9.473 1.00 0.77 C ATOM 488 CD ARG A 34 8.861 5.722 10.287 1.00 1.08 C ATOM 489 NE ARG A 34 10.030 5.901 11.149 1.00 1.82 N ATOM 490 CZ ARG A 34 10.476 7.080 11.592 1.00 2.41 C ATOM 491 NH1 ARG A 34 9.977 8.224 11.106 1.00 2.43 N ATOM 492 NH2 ARG A 34 11.435 7.114 12.501 1.00 3.44 N ATOM 0 H ARG A 34 8.898 1.984 8.913 1.00 0.43 H new ATOM 0 HA ARG A 34 6.466 2.922 7.591 1.00 0.42 H new ATOM 0 HB2 ARG A 34 7.473 5.162 8.093 1.00 0.58 H new ATOM 0 HB3 ARG A 34 6.807 4.231 9.419 1.00 0.58 H new ATOM 0 HG2 ARG A 34 9.076 3.592 10.130 1.00 0.77 H new ATOM 0 HG3 ARG A 34 9.760 4.481 8.784 1.00 0.77 H new ATOM 0 HD2 ARG A 34 8.780 6.574 9.612 1.00 1.08 H new ATOM 0 HD3 ARG A 34 7.961 5.716 10.902 1.00 1.08 H new ATOM 0 HE ARG A 34 10.541 5.065 11.432 1.00 1.82 H new ATOM 0 HH11 ARG A 34 9.250 8.200 10.391 1.00 2.43 H new ATOM 0 HH12 ARG A 34 10.324 9.119 11.451 1.00 2.43 H new ATOM 0 HH21 ARG A 34 11.829 6.244 12.859 1.00 3.44 H new ATOM 0 HH22 ARG A 34 11.781 8.010 12.844 1.00 3.44 H new ATOM 506 N PHE A 35 7.563 4.072 5.609 1.00 0.33 N ATOM 507 CA PHE A 35 7.987 4.249 4.215 1.00 0.33 C ATOM 508 C PHE A 35 9.367 4.873 4.079 1.00 0.38 C ATOM 509 O PHE A 35 10.179 4.416 3.270 1.00 0.43 O ATOM 510 CB PHE A 35 6.955 5.040 3.414 1.00 0.34 C ATOM 511 CG PHE A 35 5.612 4.369 3.341 1.00 0.36 C ATOM 512 CD1 PHE A 35 5.430 3.233 2.565 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.537 4.867 4.050 1.00 0.40 C ATOM 514 CE1 PHE A 35 4.197 2.614 2.503 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.303 4.253 3.991 1.00 0.48 C ATOM 516 CZ PHE A 35 3.132 3.127 3.218 1.00 0.51 C ATOM 0 H PHE A 35 6.752 4.633 5.869 1.00 0.33 H new ATOM 0 HA PHE A 35 8.058 3.245 3.797 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.836 6.026 3.863 1.00 0.34 H new ATOM 0 HB3 PHE A 35 7.331 5.194 2.403 1.00 0.34 H new ATOM 0 HD1 PHE A 35 6.260 2.829 2.004 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.664 5.750 4.659 1.00 0.40 H new ATOM 0 HE1 PHE A 35 4.066 1.730 1.896 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.472 4.655 4.551 1.00 0.48 H new ATOM 0 HZ PHE A 35 2.167 2.645 3.170 1.00 0.51 H new ATOM 526 N GLU A 36 9.659 5.872 4.889 1.00 0.48 N ATOM 527 CA GLU A 36 10.954 6.519 4.840 1.00 0.62 C ATOM 528 C GLU A 36 12.021 5.587 5.398 1.00 0.63 C ATOM 529 O GLU A 36 13.184 5.651 5.016 1.00 0.72 O ATOM 530 CB GLU A 36 10.971 7.879 5.588 1.00 0.83 C ATOM 531 CG GLU A 36 10.597 7.841 7.077 1.00 1.40 C ATOM 532 CD GLU A 36 9.105 7.814 7.341 1.00 1.83 C ATOM 533 OE1 GLU A 36 8.439 6.811 7.030 1.00 2.73 O ATOM 534 OE2 GLU A 36 8.583 8.792 7.907 1.00 1.89 O ATOM 0 H GLU A 36 9.019 6.252 5.586 1.00 0.48 H new ATOM 0 HA GLU A 36 11.170 6.736 3.794 1.00 0.62 H new ATOM 0 HB2 GLU A 36 11.969 8.307 5.497 1.00 0.83 H new ATOM 0 HB3 GLU A 36 10.285 8.557 5.080 1.00 0.83 H new ATOM 0 HG2 GLU A 36 11.051 6.961 7.532 1.00 1.40 H new ATOM 0 HG3 GLU A 36 11.026 8.713 7.571 1.00 1.40 H new ATOM 541 N ASP A 37 11.593 4.687 6.259 1.00 0.61 N ATOM 542 CA ASP A 37 12.482 3.722 6.895 1.00 0.70 C ATOM 543 C ASP A 37 12.914 2.699 5.863 1.00 0.69 C ATOM 544 O ASP A 37 14.099 2.411 5.718 1.00 0.82 O ATOM 545 CB ASP A 37 11.746 3.019 8.032 1.00 0.77 C ATOM 546 CG ASP A 37 12.626 2.158 8.920 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.080 1.085 8.493 1.00 1.36 O ATOM 548 OD2 ASP A 37 12.802 2.518 10.100 1.00 1.27 O ATOM 0 H ASP A 37 10.617 4.599 6.542 1.00 0.61 H new ATOM 0 HA ASP A 37 13.356 4.235 7.298 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.256 3.772 8.650 1.00 0.77 H new ATOM 0 HB3 ASP A 37 10.960 2.394 7.607 1.00 0.77 H new ATOM 553 N ILE A 38 11.940 2.205 5.097 1.00 0.59 N ATOM 554 CA ILE A 38 12.196 1.197 4.064 1.00 0.63 C ATOM 555 C ILE A 38 12.702 1.802 2.743 1.00 0.63 C ATOM 556 O ILE A 38 12.837 1.098 1.742 1.00 0.66 O ATOM 557 CB ILE A 38 10.974 0.271 3.794 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.733 1.103 3.413 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.697 -0.616 5.004 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.487 0.290 3.114 1.00 0.54 C ATOM 0 H ILE A 38 10.963 2.487 5.172 1.00 0.59 H new ATOM 0 HA ILE A 38 12.995 0.582 4.478 1.00 0.63 H new ATOM 0 HB ILE A 38 11.210 -0.377 2.950 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.512 1.793 4.227 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.973 1.708 2.539 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.840 -1.256 4.797 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.571 -1.235 5.209 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.483 0.008 5.871 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.668 0.961 2.856 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.683 -0.381 2.278 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.214 -0.295 3.993 1.00 0.54 H new ATOM 572 N GLY A 39 13.035 3.084 2.777 1.00 0.63 N ATOM 573 CA GLY A 39 13.602 3.762 1.625 1.00 0.68 C ATOM 574 C GLY A 39 12.633 3.959 0.469 1.00 0.59 C ATOM 575 O GLY A 39 13.018 3.836 -0.691 1.00 0.70 O ATOM 0 H GLY A 39 12.920 3.678 3.598 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.975 4.737 1.940 1.00 0.68 H new ATOM 0 HA3 GLY A 39 14.460 3.192 1.270 1.00 0.68 H new ATOM 579 N TYR A 40 11.394 4.257 0.767 1.00 0.45 N ATOM 580 CA TYR A 40 10.419 4.521 -0.273 1.00 0.45 C ATOM 581 C TYR A 40 10.155 5.978 -0.430 1.00 0.47 C ATOM 582 O TYR A 40 10.235 6.752 0.530 1.00 0.62 O ATOM 583 CB TYR A 40 9.085 3.800 -0.037 1.00 0.42 C ATOM 584 CG TYR A 40 9.035 2.411 -0.588 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.893 1.422 -0.146 1.00 0.53 C ATOM 586 CD2 TYR A 40 8.126 2.100 -1.579 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.845 0.155 -0.676 1.00 0.60 C ATOM 588 CE2 TYR A 40 8.065 0.846 -2.121 1.00 0.68 C ATOM 589 CZ TYR A 40 8.931 -0.135 -1.665 1.00 0.67 C ATOM 590 OH TYR A 40 8.891 -1.398 -2.201 1.00 0.78 O ATOM 0 H TYR A 40 11.032 4.324 1.718 1.00 0.45 H new ATOM 0 HA TYR A 40 10.866 4.131 -1.188 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.890 3.761 1.035 1.00 0.42 H new ATOM 0 HB3 TYR A 40 8.283 4.386 -0.486 1.00 0.42 H new ATOM 0 HD1 TYR A 40 10.612 1.648 0.627 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.449 2.863 -1.934 1.00 0.57 H new ATOM 0 HE1 TYR A 40 10.520 -0.609 -0.319 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.348 0.622 -2.897 1.00 0.68 H new ATOM 0 HH TYR A 40 8.265 -1.414 -2.955 1.00 0.78 H new ATOM 600 N ASP A 41 9.876 6.363 -1.644 1.00 0.55 N ATOM 601 CA ASP A 41 9.398 7.687 -1.902 1.00 0.69 C ATOM 602 C ASP A 41 7.920 7.596 -1.975 1.00 0.85 C ATOM 603 O ASP A 41 7.354 6.502 -2.121 1.00 1.62 O ATOM 604 CB ASP A 41 9.884 8.291 -3.229 1.00 0.82 C ATOM 605 CG ASP A 41 11.378 8.433 -3.348 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.932 9.440 -2.866 1.00 1.27 O ATOM 607 OD2 ASP A 41 12.030 7.539 -3.923 1.00 1.32 O ATOM 0 H ASP A 41 9.973 5.774 -2.471 1.00 0.55 H new ATOM 0 HA ASP A 41 9.774 8.331 -1.107 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.526 7.668 -4.048 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.429 9.274 -3.353 1.00 0.82 H new ATOM 612 N SER A 42 7.298 8.708 -1.959 1.00 0.50 N ATOM 613 CA SER A 42 5.866 8.770 -2.039 1.00 0.53 C ATOM 614 C SER A 42 5.415 8.525 -3.480 1.00 0.51 C ATOM 615 O SER A 42 4.307 8.062 -3.735 1.00 0.48 O ATOM 616 CB SER A 42 5.390 10.076 -1.462 1.00 0.69 C ATOM 617 OG SER A 42 6.348 11.119 -1.812 1.00 1.05 O ATOM 0 H SER A 42 7.756 9.617 -1.890 1.00 0.50 H new ATOM 0 HA SER A 42 5.407 7.982 -1.442 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.403 10.324 -1.852 1.00 0.69 H new ATOM 0 HB3 SER A 42 5.295 9.998 -0.379 1.00 0.69 H new ATOM 0 HG SER A 42 6.986 11.237 -1.077 1.00 1.05 H new ATOM 622 N LEU A 43 6.337 8.786 -4.399 1.00 0.57 N ATOM 623 CA LEU A 43 6.169 8.523 -5.819 1.00 0.62 C ATOM 624 C LEU A 43 5.879 7.035 -6.050 1.00 0.56 C ATOM 625 O LEU A 43 4.912 6.675 -6.710 1.00 0.58 O ATOM 626 CB LEU A 43 7.463 8.923 -6.551 1.00 0.74 C ATOM 627 CG LEU A 43 7.549 8.584 -8.045 1.00 0.86 C ATOM 628 CD1 LEU A 43 6.491 9.322 -8.839 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.936 8.892 -8.584 1.00 1.19 C ATOM 0 H LEU A 43 7.242 9.196 -4.170 1.00 0.57 H new ATOM 0 HA LEU A 43 5.330 9.103 -6.203 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.597 9.999 -6.439 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.301 8.443 -6.045 1.00 0.74 H new ATOM 0 HG LEU A 43 7.363 7.516 -8.156 1.00 0.86 H new ATOM 0 HD11 LEU A 43 6.579 9.060 -9.893 1.00 1.40 H new ATOM 0 HD12 LEU A 43 5.502 9.041 -8.477 1.00 1.40 H new ATOM 0 HD13 LEU A 43 6.630 10.396 -8.719 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.977 8.645 -9.645 1.00 1.19 H new ATOM 0 HD22 LEU A 43 9.151 9.952 -8.450 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.676 8.300 -8.045 1.00 1.19 H new ATOM 641 N ALA A 44 6.702 6.186 -5.452 1.00 0.54 N ATOM 642 CA ALA A 44 6.566 4.746 -5.610 1.00 0.54 C ATOM 643 C ALA A 44 5.383 4.231 -4.807 1.00 0.47 C ATOM 644 O ALA A 44 4.768 3.235 -5.157 1.00 0.53 O ATOM 645 CB ALA A 44 7.847 4.047 -5.176 1.00 0.59 C ATOM 0 H ALA A 44 7.474 6.472 -4.850 1.00 0.54 H new ATOM 0 HA ALA A 44 6.387 4.527 -6.663 1.00 0.54 H new ATOM 0 HB1 ALA A 44 7.733 2.970 -5.299 1.00 0.59 H new ATOM 0 HB2 ALA A 44 8.678 4.396 -5.789 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.048 4.274 -4.129 1.00 0.59 H new ATOM 651 N LEU A 45 5.054 4.949 -3.753 1.00 0.42 N ATOM 652 CA LEU A 45 3.970 4.581 -2.866 1.00 0.38 C ATOM 653 C LEU A 45 2.631 4.749 -3.612 1.00 0.37 C ATOM 654 O LEU A 45 1.708 3.934 -3.456 1.00 0.39 O ATOM 655 CB LEU A 45 4.046 5.467 -1.625 1.00 0.35 C ATOM 656 CG LEU A 45 3.493 4.933 -0.301 1.00 0.37 C ATOM 657 CD1 LEU A 45 3.709 5.954 0.772 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.031 4.567 -0.372 1.00 0.53 C ATOM 0 H LEU A 45 5.534 5.809 -3.486 1.00 0.42 H new ATOM 0 HA LEU A 45 4.047 3.540 -2.553 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.094 5.722 -1.466 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.522 6.396 -1.850 1.00 0.35 H new ATOM 0 HG LEU A 45 4.033 4.014 -0.074 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.317 5.578 1.717 1.00 0.38 H new ATOM 0 HD12 LEU A 45 4.776 6.153 0.876 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.192 6.876 0.506 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.701 4.196 0.598 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.448 5.448 -0.641 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.886 3.793 -1.125 1.00 0.53 H new ATOM 670 N MET A 46 2.538 5.798 -4.438 1.00 0.37 N ATOM 671 CA MET A 46 1.353 5.996 -5.292 1.00 0.40 C ATOM 672 C MET A 46 1.129 4.771 -6.165 1.00 0.35 C ATOM 673 O MET A 46 0.005 4.279 -6.300 1.00 0.36 O ATOM 674 CB MET A 46 1.516 7.203 -6.210 1.00 0.52 C ATOM 675 CG MET A 46 1.769 8.502 -5.503 1.00 0.70 C ATOM 676 SD MET A 46 1.770 9.910 -6.639 1.00 0.96 S ATOM 677 CE MET A 46 3.064 9.426 -7.778 1.00 2.41 C ATOM 0 H MET A 46 3.256 6.516 -4.535 1.00 0.37 H new ATOM 0 HA MET A 46 0.504 6.161 -4.629 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.342 7.012 -6.895 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.616 7.305 -6.816 1.00 0.52 H new ATOM 0 HG2 MET A 46 1.005 8.653 -4.740 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.728 8.452 -4.988 1.00 0.70 H new ATOM 0 HE1 MET A 46 3.728 10.272 -7.955 1.00 2.41 H new ATOM 0 HE2 MET A 46 3.634 8.600 -7.352 1.00 2.41 H new ATOM 0 HE3 MET A 46 2.619 9.111 -8.722 1.00 2.41 H new ATOM 687 N GLU A 47 2.227 4.270 -6.722 1.00 0.37 N ATOM 688 CA GLU A 47 2.215 3.114 -7.595 1.00 0.39 C ATOM 689 C GLU A 47 1.678 1.885 -6.873 1.00 0.37 C ATOM 690 O GLU A 47 0.947 1.094 -7.463 1.00 0.43 O ATOM 691 CB GLU A 47 3.618 2.840 -8.123 1.00 0.48 C ATOM 692 CG GLU A 47 4.180 3.943 -8.997 1.00 0.68 C ATOM 693 CD GLU A 47 3.380 4.125 -10.255 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.353 3.199 -11.081 1.00 1.84 O ATOM 695 OE2 GLU A 47 2.785 5.186 -10.453 1.00 2.15 O ATOM 0 H GLU A 47 3.157 4.663 -6.575 1.00 0.37 H new ATOM 0 HA GLU A 47 1.553 3.331 -8.433 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.288 2.685 -7.278 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.604 1.911 -8.693 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.193 4.878 -8.437 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.213 3.711 -9.255 1.00 0.68 H new ATOM 702 N THR A 48 2.047 1.746 -5.610 1.00 0.36 N ATOM 703 CA THR A 48 1.613 0.650 -4.758 1.00 0.39 C ATOM 704 C THR A 48 0.083 0.598 -4.691 1.00 0.35 C ATOM 705 O THR A 48 -0.536 -0.414 -5.069 1.00 0.40 O ATOM 706 CB THR A 48 2.188 0.871 -3.344 1.00 0.43 C ATOM 707 OG1 THR A 48 3.608 1.013 -3.431 1.00 0.51 O ATOM 708 CG2 THR A 48 1.849 -0.288 -2.418 1.00 0.51 C ATOM 0 H THR A 48 2.668 2.404 -5.139 1.00 0.36 H new ATOM 0 HA THR A 48 1.971 -0.294 -5.168 1.00 0.39 H new ATOM 0 HB THR A 48 1.742 1.775 -2.930 1.00 0.43 H new ATOM 0 HG1 THR A 48 3.917 0.680 -4.299 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.269 -0.099 -1.430 1.00 0.51 H new ATOM 0 HG22 THR A 48 0.766 -0.386 -2.339 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.268 -1.210 -2.821 1.00 0.51 H new ATOM 716 N ALA A 49 -0.511 1.692 -4.234 1.00 0.31 N ATOM 717 CA ALA A 49 -1.953 1.782 -4.070 1.00 0.32 C ATOM 718 C ALA A 49 -2.677 1.533 -5.379 1.00 0.30 C ATOM 719 O ALA A 49 -3.656 0.801 -5.407 1.00 0.32 O ATOM 720 CB ALA A 49 -2.329 3.127 -3.512 1.00 0.38 C ATOM 0 H ALA A 49 -0.008 2.538 -3.968 1.00 0.31 H new ATOM 0 HA ALA A 49 -2.260 1.007 -3.368 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -3.411 3.182 -3.394 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.850 3.265 -2.542 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.998 3.910 -4.195 1.00 0.38 H new ATOM 726 N ALA A 50 -2.132 2.082 -6.468 1.00 0.29 N ATOM 727 CA ALA A 50 -2.710 1.952 -7.810 1.00 0.31 C ATOM 728 C ALA A 50 -2.947 0.487 -8.203 1.00 0.31 C ATOM 729 O ALA A 50 -3.975 0.157 -8.800 1.00 0.35 O ATOM 730 CB ALA A 50 -1.809 2.632 -8.829 1.00 0.39 C ATOM 0 H ALA A 50 -1.273 2.632 -6.444 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.684 2.442 -7.797 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.244 2.532 -9.823 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.711 3.689 -8.580 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.825 2.163 -8.815 1.00 0.39 H new ATOM 736 N ARG A 51 -2.017 -0.389 -7.816 1.00 0.32 N ATOM 737 CA ARG A 51 -2.095 -1.820 -8.166 1.00 0.38 C ATOM 738 C ARG A 51 -3.290 -2.439 -7.451 1.00 0.37 C ATOM 739 O ARG A 51 -4.094 -3.180 -8.033 1.00 0.47 O ATOM 740 CB ARG A 51 -0.811 -2.559 -7.714 1.00 0.49 C ATOM 741 CG ARG A 51 0.482 -1.853 -8.081 1.00 0.97 C ATOM 742 CD ARG A 51 0.644 -1.642 -9.576 1.00 0.98 C ATOM 743 NE ARG A 51 1.592 -0.551 -9.834 1.00 1.92 N ATOM 744 CZ ARG A 51 2.705 -0.623 -10.577 1.00 2.31 C ATOM 745 NH1 ARG A 51 3.105 -1.765 -11.105 1.00 2.05 N ATOM 746 NH2 ARG A 51 3.421 0.457 -10.794 1.00 3.40 N ATOM 0 H ARG A 51 -1.199 -0.138 -7.260 1.00 0.32 H new ATOM 0 HA ARG A 51 -2.201 -1.914 -9.247 1.00 0.38 H new ATOM 0 HB2 ARG A 51 -0.844 -2.691 -6.633 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.805 -3.555 -8.157 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.516 -0.886 -7.578 1.00 0.97 H new ATOM 0 HG3 ARG A 51 1.325 -2.436 -7.709 1.00 0.97 H new ATOM 0 HD2 ARG A 51 0.999 -2.560 -10.044 1.00 0.98 H new ATOM 0 HD3 ARG A 51 -0.322 -1.408 -10.024 1.00 0.98 H new ATOM 0 HE ARG A 51 1.383 0.351 -9.405 1.00 1.92 H new ATOM 0 HH11 ARG A 51 2.564 -2.616 -10.951 1.00 2.05 H new ATOM 0 HH12 ARG A 51 3.955 -1.797 -11.667 1.00 2.05 H new ATOM 0 HH21 ARG A 51 3.130 1.350 -10.397 1.00 3.40 H new ATOM 0 HH22 ARG A 51 4.268 0.402 -11.359 1.00 3.40 H new ATOM 760 N LEU A 52 -3.419 -2.077 -6.195 1.00 0.32 N ATOM 761 CA LEU A 52 -4.460 -2.579 -5.330 1.00 0.34 C ATOM 762 C LEU A 52 -5.813 -2.028 -5.750 1.00 0.33 C ATOM 763 O LEU A 52 -6.803 -2.777 -5.835 1.00 0.40 O ATOM 764 CB LEU A 52 -4.138 -2.196 -3.887 1.00 0.35 C ATOM 765 CG LEU A 52 -2.786 -2.697 -3.373 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.493 -2.141 -2.000 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.748 -4.221 -3.355 1.00 0.39 C ATOM 0 H LEU A 52 -2.792 -1.414 -5.739 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.507 -3.665 -5.408 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.163 -1.110 -3.801 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.923 -2.585 -3.239 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.013 -2.343 -4.054 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.527 -2.511 -1.656 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.469 -1.052 -2.046 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.271 -2.458 -1.306 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.779 -4.556 -2.987 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.535 -4.597 -2.701 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.904 -4.601 -4.365 1.00 0.39 H new ATOM 779 N GLU A 53 -5.847 -0.729 -6.042 1.00 0.28 N ATOM 780 CA GLU A 53 -7.054 -0.060 -6.498 1.00 0.29 C ATOM 781 C GLU A 53 -7.591 -0.708 -7.755 1.00 0.31 C ATOM 782 O GLU A 53 -8.779 -1.026 -7.833 1.00 0.35 O ATOM 783 CB GLU A 53 -6.817 1.420 -6.778 1.00 0.29 C ATOM 784 CG GLU A 53 -6.505 2.285 -5.581 1.00 0.35 C ATOM 785 CD GLU A 53 -6.437 3.740 -5.974 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.356 4.218 -6.337 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.482 4.418 -5.973 1.00 0.51 O ATOM 0 H GLU A 53 -5.036 -0.115 -5.968 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.781 -0.154 -5.691 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.993 1.507 -7.487 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.703 1.822 -7.269 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.270 2.146 -4.817 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.556 1.978 -5.142 1.00 0.35 H new ATOM 794 N SER A 54 -6.701 -0.941 -8.700 1.00 0.35 N ATOM 795 CA SER A 54 -7.047 -1.492 -9.987 1.00 0.43 C ATOM 796 C SER A 54 -7.561 -2.928 -9.854 1.00 0.47 C ATOM 797 O SER A 54 -8.477 -3.339 -10.574 1.00 0.61 O ATOM 798 CB SER A 54 -5.818 -1.453 -10.902 1.00 0.49 C ATOM 799 OG SER A 54 -6.152 -1.756 -12.246 1.00 1.16 O ATOM 0 H SER A 54 -5.705 -0.749 -8.590 1.00 0.35 H new ATOM 0 HA SER A 54 -7.847 -0.891 -10.420 1.00 0.43 H new ATOM 0 HB2 SER A 54 -5.361 -0.464 -10.855 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.075 -2.165 -10.543 1.00 0.49 H new ATOM 0 HG SER A 54 -5.344 -1.720 -12.800 1.00 1.16 H new ATOM 805 N ARG A 55 -6.982 -3.682 -8.939 1.00 0.40 N ATOM 806 CA ARG A 55 -7.375 -5.070 -8.768 1.00 0.46 C ATOM 807 C ARG A 55 -8.729 -5.195 -8.060 1.00 0.47 C ATOM 808 O ARG A 55 -9.600 -5.960 -8.487 1.00 0.57 O ATOM 809 CB ARG A 55 -6.342 -5.865 -7.971 1.00 0.50 C ATOM 810 CG ARG A 55 -6.664 -7.359 -7.941 1.00 0.61 C ATOM 811 CD ARG A 55 -5.941 -8.094 -6.833 1.00 0.75 C ATOM 812 NE ARG A 55 -4.487 -8.011 -6.912 1.00 1.28 N ATOM 813 CZ ARG A 55 -3.663 -8.530 -5.987 1.00 1.65 C ATOM 814 NH1 ARG A 55 -4.170 -9.129 -4.901 1.00 1.46 N ATOM 815 NH2 ARG A 55 -2.350 -8.417 -6.123 1.00 2.65 N ATOM 0 H ARG A 55 -6.246 -3.363 -8.309 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.449 -5.481 -9.775 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -5.355 -5.716 -8.408 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -6.300 -5.483 -6.951 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -7.739 -7.492 -7.817 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.396 -7.803 -8.900 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -6.265 -7.692 -5.873 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -6.236 -9.143 -6.855 1.00 0.75 H new ATOM 0 HE ARG A 55 -4.074 -7.533 -7.713 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -5.181 -9.190 -4.778 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -3.545 -9.524 -4.198 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -1.961 -7.934 -6.933 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -1.728 -8.813 -5.418 1.00 2.65 H new ATOM 829 N TYR A 56 -8.900 -4.468 -6.980 1.00 0.42 N ATOM 830 CA TYR A 56 -10.090 -4.626 -6.166 1.00 0.47 C ATOM 831 C TYR A 56 -11.241 -3.715 -6.562 1.00 0.50 C ATOM 832 O TYR A 56 -12.393 -4.018 -6.281 1.00 0.67 O ATOM 833 CB TYR A 56 -9.755 -4.531 -4.674 1.00 0.52 C ATOM 834 CG TYR A 56 -8.849 -5.653 -4.220 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.314 -6.958 -4.092 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.531 -5.394 -3.879 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.485 -7.967 -3.634 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.696 -6.396 -3.432 1.00 0.65 C ATOM 839 CZ TYR A 56 -7.194 -7.756 -3.462 1.00 0.67 C ATOM 840 OH TYR A 56 -6.339 -8.670 -2.830 1.00 0.79 O ATOM 0 H TYR A 56 -8.239 -3.767 -6.644 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.459 -5.632 -6.365 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -9.275 -3.574 -4.471 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.678 -4.554 -4.094 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.336 -7.187 -4.354 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -7.150 -4.387 -3.965 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -8.900 -8.940 -3.415 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.703 -6.174 -3.071 1.00 0.65 H new ATOM 0 HH TYR A 56 -6.464 -9.560 -3.222 1.00 0.79 H new ATOM 850 N GLY A 57 -10.948 -2.634 -7.234 1.00 0.41 N ATOM 851 CA GLY A 57 -12.002 -1.737 -7.659 1.00 0.45 C ATOM 852 C GLY A 57 -12.270 -0.661 -6.636 1.00 0.46 C ATOM 853 O GLY A 57 -13.424 -0.382 -6.291 1.00 0.61 O ATOM 0 H GLY A 57 -10.004 -2.351 -7.499 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.726 -1.276 -8.607 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.915 -2.306 -7.835 1.00 0.45 H new ATOM 857 N VAL A 58 -11.218 -0.059 -6.149 1.00 0.38 N ATOM 858 CA VAL A 58 -11.327 0.995 -5.168 1.00 0.42 C ATOM 859 C VAL A 58 -10.743 2.269 -5.690 1.00 0.45 C ATOM 860 O VAL A 58 -9.910 2.264 -6.583 1.00 0.51 O ATOM 861 CB VAL A 58 -10.767 0.585 -3.757 1.00 0.42 C ATOM 862 CG1 VAL A 58 -9.392 -0.045 -3.839 1.00 0.59 C ATOM 863 CG2 VAL A 58 -10.761 1.710 -2.706 1.00 0.57 C ATOM 0 H VAL A 58 -10.260 -0.283 -6.419 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.389 1.174 -4.999 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.485 -0.158 -3.410 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -9.052 -0.309 -2.837 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -9.439 -0.943 -4.455 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -8.693 0.663 -4.284 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -10.358 1.329 -1.768 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -10.142 2.535 -3.059 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.779 2.064 -2.546 1.00 0.57 H new ATOM 873 N SER A 59 -11.214 3.313 -5.153 1.00 0.51 N ATOM 874 CA SER A 59 -10.805 4.641 -5.522 1.00 0.61 C ATOM 875 C SER A 59 -10.342 5.410 -4.289 1.00 0.56 C ATOM 876 O SER A 59 -11.152 5.716 -3.397 1.00 0.63 O ATOM 877 CB SER A 59 -11.965 5.372 -6.197 1.00 0.84 C ATOM 878 OG SER A 59 -12.412 4.676 -7.357 1.00 1.59 O ATOM 0 H SER A 59 -11.920 3.292 -4.417 1.00 0.51 H new ATOM 0 HA SER A 59 -9.973 4.575 -6.223 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.790 5.477 -5.493 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.652 6.379 -6.473 1.00 0.84 H new ATOM 0 HG SER A 59 -13.155 5.166 -7.766 1.00 1.59 H new ATOM 884 N ILE A 60 -9.056 5.659 -4.210 1.00 0.50 N ATOM 885 CA ILE A 60 -8.479 6.420 -3.127 1.00 0.48 C ATOM 886 C ILE A 60 -8.298 7.877 -3.569 1.00 0.53 C ATOM 887 O ILE A 60 -7.467 8.177 -4.422 1.00 0.63 O ATOM 888 CB ILE A 60 -7.103 5.843 -2.687 1.00 0.48 C ATOM 889 CG1 ILE A 60 -7.247 4.365 -2.303 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.538 6.643 -1.508 1.00 0.53 C ATOM 891 CD1 ILE A 60 -5.938 3.693 -1.943 1.00 0.75 C ATOM 0 H ILE A 60 -8.377 5.337 -4.899 1.00 0.50 H new ATOM 0 HA ILE A 60 -9.158 6.361 -2.276 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.410 5.923 -3.524 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -7.930 4.285 -1.457 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -7.704 3.827 -3.134 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -5.575 6.226 -1.213 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.407 7.684 -1.804 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -7.229 6.589 -0.667 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.123 2.651 -1.683 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -5.259 3.740 -2.794 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -5.489 4.204 -1.092 1.00 0.75 H new ATOM 903 N PRO A 61 -9.105 8.794 -3.030 1.00 0.65 N ATOM 904 CA PRO A 61 -9.014 10.216 -3.359 1.00 0.77 C ATOM 905 C PRO A 61 -7.802 10.874 -2.681 1.00 0.65 C ATOM 906 O PRO A 61 -7.299 10.363 -1.667 1.00 0.57 O ATOM 907 CB PRO A 61 -10.322 10.801 -2.789 1.00 0.97 C ATOM 908 CG PRO A 61 -11.131 9.631 -2.326 1.00 1.08 C ATOM 909 CD PRO A 61 -10.164 8.528 -2.061 1.00 0.83 C ATOM 0 HA PRO A 61 -8.888 10.386 -4.428 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -10.117 11.484 -1.965 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.858 11.370 -3.549 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.693 9.879 -1.426 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.857 9.337 -3.084 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.792 8.552 -1.037 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -10.616 7.548 -2.213 1.00 0.83 H new ATOM 917 N ASP A 62 -7.371 12.023 -3.214 1.00 0.74 N ATOM 918 CA ASP A 62 -6.197 12.766 -2.706 1.00 0.73 C ATOM 919 C ASP A 62 -6.310 13.088 -1.213 1.00 0.62 C ATOM 920 O ASP A 62 -5.318 13.038 -0.485 1.00 0.64 O ATOM 921 CB ASP A 62 -5.904 14.051 -3.541 1.00 0.93 C ATOM 922 CG ASP A 62 -7.003 15.084 -3.544 1.00 1.44 C ATOM 923 OD1 ASP A 62 -7.980 14.936 -4.302 1.00 1.92 O ATOM 924 OD2 ASP A 62 -6.909 16.068 -2.776 1.00 2.07 O ATOM 0 H ASP A 62 -7.823 12.470 -4.012 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.344 12.099 -2.827 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -4.995 14.514 -3.158 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -5.702 13.757 -4.571 1.00 0.93 H new ATOM 929 N ASP A 63 -7.529 13.343 -0.762 1.00 0.63 N ATOM 930 CA ASP A 63 -7.823 13.628 0.654 1.00 0.61 C ATOM 931 C ASP A 63 -7.479 12.431 1.554 1.00 0.59 C ATOM 932 O ASP A 63 -6.991 12.581 2.681 1.00 0.64 O ATOM 933 CB ASP A 63 -9.315 13.974 0.799 1.00 0.77 C ATOM 934 CG ASP A 63 -9.753 14.224 2.226 1.00 1.36 C ATOM 935 OD1 ASP A 63 -10.166 13.269 2.905 1.00 2.10 O ATOM 936 OD2 ASP A 63 -9.736 15.379 2.684 1.00 2.00 O ATOM 0 H ASP A 63 -8.353 13.361 -1.363 1.00 0.63 H new ATOM 0 HA ASP A 63 -7.207 14.470 0.970 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -9.531 14.860 0.203 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -9.908 13.159 0.385 1.00 0.77 H new ATOM 941 N VAL A 64 -7.720 11.255 1.044 1.00 0.62 N ATOM 942 CA VAL A 64 -7.521 10.034 1.796 1.00 0.69 C ATOM 943 C VAL A 64 -6.058 9.538 1.710 1.00 0.67 C ATOM 944 O VAL A 64 -5.592 8.785 2.560 1.00 0.78 O ATOM 945 CB VAL A 64 -8.542 8.937 1.350 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.392 7.650 2.134 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.963 9.461 1.492 1.00 0.90 C ATOM 0 H VAL A 64 -8.061 11.109 0.094 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.711 10.252 2.847 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.330 8.708 0.306 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.125 6.923 1.784 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.388 7.251 1.990 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.555 7.848 3.193 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.668 8.691 1.179 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -10.151 9.724 2.533 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -10.089 10.344 0.866 1.00 0.90 H new ATOM 957 N ALA A 65 -5.326 10.047 0.735 1.00 0.61 N ATOM 958 CA ALA A 65 -3.948 9.618 0.484 1.00 0.67 C ATOM 959 C ALA A 65 -2.984 10.129 1.548 1.00 0.64 C ATOM 960 O ALA A 65 -2.062 9.432 1.951 1.00 0.74 O ATOM 961 CB ALA A 65 -3.502 10.058 -0.905 1.00 0.77 C ATOM 0 H ALA A 65 -5.661 10.766 0.094 1.00 0.61 H new ATOM 0 HA ALA A 65 -3.930 8.529 0.534 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.476 9.732 -1.078 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.155 9.612 -1.655 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.555 11.144 -0.977 1.00 0.77 H new ATOM 967 N GLY A 66 -3.239 11.317 2.051 1.00 0.58 N ATOM 968 CA GLY A 66 -2.356 11.907 3.039 1.00 0.66 C ATOM 969 C GLY A 66 -2.694 11.487 4.456 1.00 0.68 C ATOM 970 O GLY A 66 -2.708 12.315 5.363 1.00 0.86 O ATOM 0 H GLY A 66 -4.043 11.891 1.796 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -1.328 11.622 2.816 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -2.409 12.993 2.965 1.00 0.66 H new ATOM 974 N ARG A 67 -2.975 10.210 4.642 1.00 0.64 N ATOM 975 CA ARG A 67 -3.327 9.681 5.958 1.00 0.79 C ATOM 976 C ARG A 67 -2.462 8.463 6.298 1.00 0.77 C ATOM 977 O ARG A 67 -2.679 7.798 7.307 1.00 0.95 O ATOM 978 CB ARG A 67 -4.807 9.257 5.997 1.00 0.94 C ATOM 979 CG ARG A 67 -5.811 10.336 5.609 1.00 1.12 C ATOM 980 CD ARG A 67 -7.226 9.801 5.708 1.00 1.40 C ATOM 981 NE ARG A 67 -8.236 10.724 5.160 1.00 1.89 N ATOM 982 CZ ARG A 67 -9.570 10.586 5.336 1.00 2.51 C ATOM 983 NH1 ARG A 67 -10.052 9.707 6.204 1.00 2.93 N ATOM 984 NH2 ARG A 67 -10.409 11.351 4.672 1.00 3.22 N ATOM 0 H ARG A 67 -2.968 9.513 3.898 1.00 0.64 H new ATOM 0 HA ARG A 67 -3.153 10.472 6.688 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.940 8.405 5.330 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -5.041 8.913 7.004 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -5.696 11.201 6.262 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -5.614 10.676 4.592 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -7.286 8.851 5.178 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -7.458 9.598 6.753 1.00 1.40 H new ATOM 0 HE ARG A 67 -7.907 11.519 4.612 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -9.415 9.125 6.748 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -11.060 9.612 6.328 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -10.054 12.052 4.021 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -11.414 11.243 4.808 1.00 3.22 H new ATOM 998 N VAL A 68 -1.454 8.207 5.499 1.00 0.62 N ATOM 999 CA VAL A 68 -0.656 6.995 5.668 1.00 0.66 C ATOM 1000 C VAL A 68 0.767 7.261 6.186 1.00 0.67 C ATOM 1001 O VAL A 68 1.549 7.992 5.568 1.00 1.00 O ATOM 1002 CB VAL A 68 -0.608 6.154 4.357 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -1.974 5.559 4.073 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.151 6.997 3.165 1.00 0.64 C ATOM 0 H VAL A 68 -1.161 8.809 4.730 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.166 6.419 6.440 1.00 0.66 H new ATOM 0 HB VAL A 68 0.117 5.353 4.500 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -1.932 4.973 3.155 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.270 4.915 4.901 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -2.703 6.361 3.958 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.129 6.378 2.268 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -0.845 7.825 3.018 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.847 7.390 3.359 1.00 0.64 H new ATOM 1014 N ASP A 69 1.066 6.725 7.360 1.00 0.54 N ATOM 1015 CA ASP A 69 2.425 6.788 7.916 1.00 0.64 C ATOM 1016 C ASP A 69 3.175 5.531 7.538 1.00 0.50 C ATOM 1017 O ASP A 69 4.299 5.582 7.026 1.00 0.54 O ATOM 1018 CB ASP A 69 2.440 6.891 9.455 1.00 0.99 C ATOM 1019 CG ASP A 69 1.968 8.202 10.027 1.00 1.11 C ATOM 1020 OD1 ASP A 69 0.743 8.372 10.208 1.00 1.84 O ATOM 1021 OD2 ASP A 69 2.801 9.106 10.239 1.00 1.37 O ATOM 0 H ASP A 69 0.392 6.240 7.952 1.00 0.54 H new ATOM 0 HA ASP A 69 2.890 7.685 7.506 1.00 0.64 H new ATOM 0 HB2 ASP A 69 1.817 6.094 9.860 1.00 0.99 H new ATOM 0 HB3 ASP A 69 3.457 6.709 9.803 1.00 0.99 H new ATOM 1026 N THR A 70 2.562 4.408 7.818 1.00 0.43 N ATOM 1027 CA THR A 70 3.137 3.117 7.546 1.00 0.37 C ATOM 1028 C THR A 70 2.174 2.292 6.669 1.00 0.33 C ATOM 1029 O THR A 70 0.994 2.677 6.498 1.00 0.34 O ATOM 1030 CB THR A 70 3.365 2.361 8.886 1.00 0.42 C ATOM 1031 OG1 THR A 70 2.113 2.170 9.544 1.00 0.51 O ATOM 1032 CG2 THR A 70 4.279 3.140 9.809 1.00 0.44 C ATOM 0 H THR A 70 1.638 4.366 8.247 1.00 0.43 H new ATOM 0 HA THR A 70 4.085 3.251 7.025 1.00 0.37 H new ATOM 0 HB THR A 70 3.830 1.403 8.655 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.762 3.037 9.837 1.00 0.51 H new ATOM 0 HG21 THR A 70 4.418 2.585 10.737 1.00 0.44 H new ATOM 0 HG22 THR A 70 5.245 3.287 9.326 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.833 4.110 10.030 1.00 0.44 H new ATOM 1040 N PRO A 71 2.653 1.170 6.065 1.00 0.32 N ATOM 1041 CA PRO A 71 1.809 0.213 5.335 1.00 0.31 C ATOM 1042 C PRO A 71 0.678 -0.337 6.201 1.00 0.29 C ATOM 1043 O PRO A 71 -0.315 -0.824 5.681 1.00 0.33 O ATOM 1044 CB PRO A 71 2.779 -0.906 4.977 1.00 0.34 C ATOM 1045 CG PRO A 71 4.076 -0.212 4.863 1.00 0.38 C ATOM 1046 CD PRO A 71 4.069 0.790 5.969 1.00 0.36 C ATOM 0 HA PRO A 71 1.321 0.673 4.476 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.803 -1.678 5.746 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.501 -1.395 4.043 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.908 -0.909 4.965 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.182 0.271 3.892 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.436 0.363 6.902 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.702 1.647 5.740 1.00 0.36 H new ATOM 1054 N ARG A 72 0.845 -0.259 7.519 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.182 -0.650 8.469 1.00 0.34 C ATOM 1056 C ARG A 72 -1.437 0.179 8.198 1.00 0.36 C ATOM 1057 O ARG A 72 -2.535 -0.363 8.071 1.00 0.43 O ATOM 1058 CB ARG A 72 0.334 -0.394 9.878 1.00 0.41 C ATOM 1059 CG ARG A 72 -0.592 -0.754 11.011 1.00 0.54 C ATOM 1060 CD ARG A 72 0.023 -0.308 12.319 1.00 0.69 C ATOM 1061 NE ARG A 72 0.247 1.132 12.321 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.999 1.818 13.171 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.827 1.199 14.006 1.00 1.38 N ATOM 1064 NH2 ARG A 72 0.984 3.139 13.108 1.00 1.16 N ATOM 0 H ARG A 72 1.702 0.079 7.956 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.425 -1.708 8.367 1.00 0.34 H new ATOM 0 HB2 ARG A 72 1.263 -0.950 10.007 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.582 0.664 9.963 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -1.561 -0.276 10.870 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -0.766 -1.830 11.026 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -0.633 -0.580 13.146 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.968 -0.828 12.478 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.224 1.668 11.592 1.00 0.75 H new ATOM 0 HH11 ARG A 72 1.891 0.181 13.999 1.00 1.38 H new ATOM 0 HH12 ARG A 72 2.398 1.742 14.653 1.00 1.38 H new ATOM 0 HH21 ARG A 72 0.402 3.610 12.415 1.00 1.16 H new ATOM 0 HH22 ARG A 72 1.555 3.687 13.752 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.246 1.493 8.057 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.336 2.402 7.724 1.00 0.42 C ATOM 1080 C GLU A 73 -2.807 2.132 6.333 1.00 0.40 C ATOM 1081 O GLU A 73 -3.979 2.071 6.093 1.00 0.44 O ATOM 1082 CB GLU A 73 -1.939 3.893 7.804 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.710 4.457 9.193 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.558 3.848 9.894 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.574 4.313 9.694 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -0.756 2.908 10.664 1.00 1.33 O ATOM 0 H GLU A 73 -0.341 1.949 8.170 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.117 2.220 8.462 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.028 4.035 7.223 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.720 4.481 7.321 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -1.552 5.533 9.118 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -2.609 4.307 9.790 1.00 0.63 H new ATOM 1093 N LEU A 74 -1.855 1.939 5.425 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.144 1.738 4.002 1.00 0.43 C ATOM 1095 C LEU A 74 -3.087 0.534 3.815 1.00 0.41 C ATOM 1096 O LEU A 74 -4.092 0.623 3.118 1.00 0.42 O ATOM 1097 CB LEU A 74 -0.832 1.504 3.236 1.00 0.44 C ATOM 1098 CG LEU A 74 -0.865 1.746 1.721 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -1.004 3.218 1.433 1.00 1.04 C ATOM 1100 CD2 LEU A 74 0.377 1.180 1.053 1.00 1.10 C ATOM 0 H LEU A 74 -0.861 1.917 5.651 1.00 0.40 H new ATOM 0 HA LEU A 74 -2.634 2.629 3.609 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.067 2.150 3.667 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.516 0.475 3.409 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.730 1.228 1.308 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -1.026 3.377 0.355 1.00 1.04 H new ATOM 0 HD12 LEU A 74 -1.929 3.589 1.874 1.00 1.04 H new ATOM 0 HD13 LEU A 74 -0.157 3.754 1.862 1.00 1.04 H new ATOM 0 HD21 LEU A 74 0.329 1.365 -0.020 1.00 1.10 H new ATOM 0 HD22 LEU A 74 1.263 1.662 1.465 1.00 1.10 H new ATOM 0 HD23 LEU A 74 0.431 0.107 1.234 1.00 1.10 H new ATOM 1112 N LEU A 75 -2.764 -0.562 4.487 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.555 -1.785 4.447 1.00 0.41 C ATOM 1114 C LEU A 75 -4.932 -1.526 5.045 1.00 0.39 C ATOM 1115 O LEU A 75 -5.959 -1.709 4.383 1.00 0.37 O ATOM 1116 CB LEU A 75 -2.849 -2.883 5.267 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.507 -4.268 5.280 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.469 -4.895 3.900 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -2.832 -5.172 6.298 1.00 0.54 C ATOM 0 H LEU A 75 -1.938 -0.628 5.081 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.660 -2.108 3.411 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -1.834 -2.993 4.885 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -2.766 -2.537 6.297 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.551 -4.146 5.569 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.941 -5.877 3.933 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.005 -4.258 3.196 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.433 -5.001 3.577 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.313 -6.150 6.292 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -1.778 -5.285 6.043 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -2.919 -4.731 7.291 1.00 0.54 H new ATOM 1131 N ASP A 76 -4.922 -1.038 6.274 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.130 -0.776 7.069 1.00 0.48 C ATOM 1133 C ASP A 76 -7.088 0.175 6.341 1.00 0.40 C ATOM 1134 O ASP A 76 -8.289 -0.097 6.224 1.00 0.44 O ATOM 1135 CB ASP A 76 -5.703 -0.177 8.411 1.00 0.66 C ATOM 1136 CG ASP A 76 -6.835 0.099 9.355 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -7.258 -0.823 10.066 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -7.264 1.262 9.464 1.00 1.89 O ATOM 0 H ASP A 76 -4.059 -0.805 6.766 1.00 0.44 H new ATOM 0 HA ASP A 76 -6.665 -1.713 7.225 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.002 -0.859 8.893 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -5.166 0.753 8.225 1.00 0.66 H new ATOM 1143 N LEU A 77 -6.530 1.245 5.810 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.264 2.273 5.093 1.00 0.38 C ATOM 1145 C LEU A 77 -7.977 1.686 3.879 1.00 0.33 C ATOM 1146 O LEU A 77 -9.176 1.898 3.689 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.292 3.364 4.635 1.00 0.46 C ATOM 1148 CG LEU A 77 -6.886 4.572 3.938 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -7.761 5.346 4.898 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -5.775 5.449 3.382 1.00 1.24 C ATOM 0 H LEU A 77 -5.528 1.430 5.866 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.013 2.696 5.762 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.741 3.714 5.508 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.566 2.909 3.962 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.507 4.239 3.106 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.183 6.212 4.388 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -8.568 4.705 5.253 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -7.164 5.680 5.746 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -6.210 6.315 2.883 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -5.134 5.784 4.197 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.183 4.877 2.667 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.252 0.913 3.082 1.00 0.31 N ATOM 1163 CA ILE A 78 -7.822 0.349 1.876 1.00 0.32 C ATOM 1164 C ILE A 78 -8.841 -0.723 2.234 1.00 0.29 C ATOM 1165 O ILE A 78 -9.889 -0.820 1.612 1.00 0.33 O ATOM 1166 CB ILE A 78 -6.737 -0.212 0.909 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -5.777 0.914 0.489 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.386 -0.852 -0.320 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -4.686 0.492 -0.482 1.00 0.63 C ATOM 0 H ILE A 78 -6.277 0.666 3.250 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.324 1.155 1.342 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.169 -0.983 1.430 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -6.358 1.717 0.035 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.309 1.326 1.383 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -6.610 -1.237 -0.982 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.033 -1.670 -0.005 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -7.977 -0.105 -0.850 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.059 1.351 -0.720 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.075 -0.288 -0.027 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.140 0.110 -1.396 1.00 0.63 H new ATOM 1181 N ASN A 79 -8.551 -1.487 3.280 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.479 -2.524 3.751 1.00 0.33 C ATOM 1183 C ASN A 79 -10.788 -1.911 4.194 1.00 0.37 C ATOM 1184 O ASN A 79 -11.862 -2.472 3.959 1.00 0.46 O ATOM 1185 CB ASN A 79 -8.890 -3.362 4.892 1.00 0.42 C ATOM 1186 CG ASN A 79 -7.911 -4.446 4.453 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.804 -5.481 5.097 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.196 -4.229 3.375 1.00 0.55 N ATOM 0 H ASN A 79 -7.688 -1.414 3.819 1.00 0.30 H new ATOM 0 HA ASN A 79 -9.656 -3.190 2.906 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.382 -2.695 5.589 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -9.708 -3.831 5.439 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -6.530 -4.932 3.054 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -7.306 -3.357 2.857 1.00 0.55 H new ATOM 1195 N GLY A 80 -10.701 -0.770 4.840 1.00 0.37 N ATOM 1196 CA GLY A 80 -11.884 -0.054 5.226 1.00 0.46 C ATOM 1197 C GLY A 80 -12.607 0.491 4.014 1.00 0.47 C ATOM 1198 O GLY A 80 -13.780 0.197 3.807 1.00 0.57 O ATOM 0 H GLY A 80 -9.823 -0.323 5.106 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.548 -0.715 5.783 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.616 0.765 5.893 1.00 0.46 H new ATOM 1202 N ALA A 81 -11.864 1.203 3.160 1.00 0.43 N ATOM 1203 CA ALA A 81 -12.411 1.876 1.977 1.00 0.49 C ATOM 1204 C ALA A 81 -13.099 0.895 1.040 1.00 0.54 C ATOM 1205 O ALA A 81 -14.096 1.229 0.393 1.00 0.68 O ATOM 1206 CB ALA A 81 -11.311 2.635 1.241 1.00 0.49 C ATOM 0 H ALA A 81 -10.858 1.329 3.271 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.163 2.587 2.319 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -11.733 3.129 0.366 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -10.877 3.382 1.906 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -10.536 1.937 0.925 1.00 0.49 H new ATOM 1212 N LEU A 82 -12.570 -0.315 0.982 1.00 0.48 N ATOM 1213 CA LEU A 82 -13.163 -1.377 0.185 1.00 0.57 C ATOM 1214 C LEU A 82 -14.588 -1.652 0.610 1.00 0.70 C ATOM 1215 O LEU A 82 -15.494 -1.546 -0.192 1.00 0.87 O ATOM 1216 CB LEU A 82 -12.333 -2.671 0.239 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.047 -2.687 -0.582 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.257 -3.954 -0.296 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -11.377 -2.609 -2.061 1.00 0.63 C ATOM 0 H LEU A 82 -11.724 -0.589 1.482 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.169 -1.027 -0.847 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.076 -2.869 1.280 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -12.963 -3.495 -0.096 1.00 0.54 H new ATOM 0 HG LEU A 82 -10.442 -1.824 -0.304 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -9.342 -3.953 -0.888 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.004 -3.994 0.763 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -10.858 -4.825 -0.558 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -10.454 -2.621 -2.641 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -11.993 -3.463 -2.342 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -11.921 -1.687 -2.264 1.00 0.63 H new ATOM 1231 N ALA A 83 -14.796 -1.915 1.886 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.122 -2.269 2.365 1.00 0.87 C ATOM 1233 C ALA A 83 -17.015 -1.047 2.572 1.00 1.01 C ATOM 1234 O ALA A 83 -18.196 -1.176 2.892 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.047 -3.122 3.605 1.00 0.90 C ATOM 0 H ALA A 83 -14.073 -1.891 2.605 1.00 0.69 H new ATOM 0 HA ALA A 83 -16.592 -2.864 1.582 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.055 -3.370 3.938 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.503 -4.040 3.383 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -15.529 -2.574 4.392 1.00 0.90 H new