USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 535 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 -100:sc= 0.853 USER MOD Set 1.2: A 48 THR OG1 : rot -23:sc= 0.45 USER MOD Single : A 6 THR OG1 : rot -71:sc= 1.36 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00831 USER MOD Single : A 40 TYR OH : rot -1:sc= -1.3 USER MOD Single : A 42 SER OG : rot 180:sc= -0.135 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.326 (180deg=-1.2) USER MOD Single : A 54 SER OG : rot 15:sc= 0.0741 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -45:sc= 1.08 USER MOD Single : A 79 ASN : amide:sc= -0.107 K(o=-0.11,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.105 -9.451 -0.402 1.00 1.02 N ATOM 45 CA LEU A 4 11.252 -8.833 -1.423 1.00 0.89 C ATOM 46 C LEU A 4 9.792 -9.150 -1.140 1.00 0.82 C ATOM 47 O LEU A 4 9.413 -10.314 -0.972 1.00 1.00 O ATOM 48 CB LEU A 4 11.649 -9.199 -2.867 1.00 0.93 C ATOM 49 CG LEU A 4 13.042 -8.755 -3.321 1.00 1.05 C ATOM 50 CD1 LEU A 4 13.294 -9.188 -4.752 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.204 -7.249 -3.184 1.00 1.09 C ATOM 0 HA LEU A 4 11.403 -7.756 -1.355 1.00 0.89 H new ATOM 0 HB2 LEU A 4 11.583 -10.281 -2.976 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.914 -8.765 -3.544 1.00 0.93 H new ATOM 0 HG LEU A 4 13.779 -9.234 -2.677 1.00 1.05 H new ATOM 0 HD11 LEU A 4 14.288 -8.865 -5.060 1.00 1.31 H new ATOM 0 HD12 LEU A 4 13.228 -10.274 -4.821 1.00 1.31 H new ATOM 0 HD13 LEU A 4 12.547 -8.737 -5.405 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.202 -6.959 -3.513 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.458 -6.745 -3.799 1.00 1.09 H new ATOM 0 HD23 LEU A 4 13.068 -6.962 -2.141 1.00 1.09 H new ATOM 63 N LEU A 5 8.986 -8.120 -1.079 1.00 0.69 N ATOM 64 CA LEU A 5 7.599 -8.249 -0.713 1.00 0.62 C ATOM 65 C LEU A 5 6.830 -8.869 -1.873 1.00 0.51 C ATOM 66 O LEU A 5 7.109 -8.565 -3.045 1.00 0.50 O ATOM 67 CB LEU A 5 7.037 -6.857 -0.390 1.00 0.64 C ATOM 68 CG LEU A 5 5.732 -6.807 0.383 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.953 -7.315 1.790 1.00 1.14 C ATOM 70 CD2 LEU A 5 5.184 -5.392 0.410 1.00 1.01 C ATOM 0 H LEU A 5 9.276 -7.164 -1.283 1.00 0.69 H new ATOM 0 HA LEU A 5 7.499 -8.890 0.163 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.790 -6.311 0.179 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.896 -6.322 -1.329 1.00 0.64 H new ATOM 0 HG LEU A 5 5.001 -7.445 -0.114 1.00 0.71 H new ATOM 0 HD11 LEU A 5 5.014 -7.278 2.342 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.312 -8.344 1.753 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.693 -6.690 2.290 1.00 1.14 H new ATOM 0 HD21 LEU A 5 4.248 -5.375 0.968 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.906 -4.731 0.891 1.00 1.01 H new ATOM 0 HD23 LEU A 5 5.004 -5.052 -0.610 1.00 1.01 H new ATOM 82 N THR A 6 5.905 -9.742 -1.568 1.00 0.53 N ATOM 83 CA THR A 6 5.119 -10.355 -2.593 1.00 0.54 C ATOM 84 C THR A 6 3.774 -9.655 -2.669 1.00 0.47 C ATOM 85 O THR A 6 3.451 -8.843 -1.786 1.00 0.45 O ATOM 86 CB THR A 6 4.895 -11.867 -2.331 1.00 0.74 C ATOM 87 OG1 THR A 6 4.149 -12.057 -1.103 1.00 0.84 O ATOM 88 CG2 THR A 6 6.219 -12.610 -2.242 1.00 1.01 C ATOM 0 H THR A 6 5.682 -10.040 -0.618 1.00 0.53 H new ATOM 0 HA THR A 6 5.660 -10.259 -3.534 1.00 0.54 H new ATOM 0 HB THR A 6 4.326 -12.271 -3.169 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.717 -11.833 -0.337 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.031 -13.668 -2.058 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.764 -12.496 -3.179 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.812 -12.199 -1.425 1.00 1.01 H new ATOM 96 N THR A 7 2.998 -9.962 -3.683 1.00 0.53 N ATOM 97 CA THR A 7 1.665 -9.426 -3.837 1.00 0.55 C ATOM 98 C THR A 7 0.805 -9.777 -2.596 1.00 0.49 C ATOM 99 O THR A 7 0.090 -8.931 -2.072 1.00 0.47 O ATOM 100 CB THR A 7 1.030 -9.983 -5.132 1.00 0.73 C ATOM 101 OG1 THR A 7 1.986 -9.829 -6.207 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.237 -9.207 -5.500 1.00 0.95 C ATOM 0 H THR A 7 3.277 -10.597 -4.431 1.00 0.53 H new ATOM 0 HA THR A 7 1.714 -8.340 -3.916 1.00 0.55 H new ATOM 0 HB THR A 7 0.768 -11.029 -4.975 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.603 -10.178 -7.038 1.00 0.83 H new ATOM 0 HG21 THR A 7 -0.663 -9.619 -6.415 1.00 0.95 H new ATOM 0 HG22 THR A 7 -0.963 -9.291 -4.691 1.00 0.95 H new ATOM 0 HG23 THR A 7 0.012 -8.157 -5.657 1.00 0.95 H new ATOM 110 N ASP A 8 0.932 -11.019 -2.111 1.00 0.57 N ATOM 111 CA ASP A 8 0.168 -11.489 -0.938 1.00 0.61 C ATOM 112 C ASP A 8 0.585 -10.756 0.309 1.00 0.54 C ATOM 113 O ASP A 8 -0.251 -10.389 1.130 1.00 0.53 O ATOM 114 CB ASP A 8 0.319 -12.995 -0.691 1.00 0.81 C ATOM 115 CG ASP A 8 -0.131 -13.849 -1.841 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.331 -13.837 -2.182 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.726 -14.523 -2.446 1.00 2.14 O ATOM 0 H ASP A 8 1.556 -11.720 -2.510 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.877 -11.282 -1.166 1.00 0.61 H new ATOM 0 HB2 ASP A 8 1.365 -13.215 -0.476 1.00 0.81 H new ATOM 0 HB3 ASP A 8 -0.253 -13.267 0.196 1.00 0.81 H new ATOM 122 N ASP A 9 1.876 -10.547 0.464 1.00 0.55 N ATOM 123 CA ASP A 9 2.385 -9.819 1.628 1.00 0.57 C ATOM 124 C ASP A 9 1.978 -8.368 1.578 1.00 0.50 C ATOM 125 O ASP A 9 1.677 -7.762 2.606 1.00 0.57 O ATOM 126 CB ASP A 9 3.894 -9.953 1.794 1.00 0.65 C ATOM 127 CG ASP A 9 4.322 -11.321 2.230 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.163 -11.646 3.416 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.827 -12.092 1.387 1.00 1.61 O ATOM 0 H ASP A 9 2.593 -10.864 -0.189 1.00 0.55 H new ATOM 0 HA ASP A 9 1.930 -10.279 2.505 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.380 -9.712 0.848 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.239 -9.222 2.525 1.00 0.65 H new ATOM 134 N LEU A 10 1.937 -7.821 0.371 1.00 0.43 N ATOM 135 CA LEU A 10 1.478 -6.461 0.154 1.00 0.43 C ATOM 136 C LEU A 10 0.008 -6.391 0.523 1.00 0.41 C ATOM 137 O LEU A 10 -0.427 -5.475 1.215 1.00 0.47 O ATOM 138 CB LEU A 10 1.664 -6.064 -1.318 1.00 0.46 C ATOM 139 CG LEU A 10 1.266 -4.633 -1.692 1.00 0.57 C ATOM 140 CD1 LEU A 10 2.174 -3.622 -1.016 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.284 -4.451 -3.194 1.00 0.79 C ATOM 0 H LEU A 10 2.220 -8.307 -0.480 1.00 0.43 H new ATOM 0 HA LEU A 10 2.057 -5.773 0.770 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.712 -6.207 -1.581 1.00 0.46 H new ATOM 0 HB3 LEU A 10 1.084 -6.752 -1.933 1.00 0.46 H new ATOM 0 HG LEU A 10 0.250 -4.460 -1.338 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.870 -2.614 -1.298 1.00 0.88 H new ATOM 0 HD12 LEU A 10 2.101 -3.734 0.066 1.00 0.88 H new ATOM 0 HD13 LEU A 10 3.204 -3.791 -1.329 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.999 -3.428 -3.440 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.287 -4.649 -3.572 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.580 -5.145 -3.653 1.00 0.79 H new ATOM 153 N ARG A 11 -0.744 -7.393 0.062 1.00 0.39 N ATOM 154 CA ARG A 11 -2.149 -7.555 0.398 1.00 0.44 C ATOM 155 C ARG A 11 -2.370 -7.489 1.887 1.00 0.44 C ATOM 156 O ARG A 11 -3.265 -6.793 2.341 1.00 0.48 O ATOM 157 CB ARG A 11 -2.721 -8.860 -0.182 1.00 0.52 C ATOM 158 CG ARG A 11 -4.069 -9.248 0.394 1.00 0.70 C ATOM 159 CD ARG A 11 -4.734 -10.360 -0.381 1.00 0.85 C ATOM 160 NE ARG A 11 -3.891 -11.547 -0.599 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.265 -12.805 -0.303 1.00 1.67 C ATOM 162 NH1 ARG A 11 -5.288 -13.019 0.510 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.566 -13.831 -0.756 1.00 2.23 N ATOM 0 H ARG A 11 -0.386 -8.118 -0.560 1.00 0.39 H new ATOM 0 HA ARG A 11 -2.686 -6.724 -0.058 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.815 -8.755 -1.263 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.013 -9.668 -0.000 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -3.941 -9.559 1.431 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -4.722 -8.375 0.402 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.637 -10.664 0.149 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.049 -9.972 -1.350 1.00 0.85 H new ATOM 0 HE ARG A 11 -2.964 -11.407 -1.000 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -5.793 -12.230 0.913 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -5.571 -13.973 0.734 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -2.740 -13.671 -1.332 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.853 -14.783 -0.529 1.00 2.23 H new ATOM 177 N ARG A 12 -1.533 -8.196 2.636 1.00 0.47 N ATOM 178 CA ARG A 12 -1.623 -8.202 4.087 1.00 0.54 C ATOM 179 C ARG A 12 -1.539 -6.800 4.657 1.00 0.54 C ATOM 180 O ARG A 12 -2.375 -6.414 5.458 1.00 0.62 O ATOM 181 CB ARG A 12 -0.559 -9.080 4.733 1.00 0.64 C ATOM 182 CG ARG A 12 -0.702 -10.561 4.466 1.00 1.04 C ATOM 183 CD ARG A 12 0.204 -11.363 5.390 1.00 1.27 C ATOM 184 NE ARG A 12 1.642 -11.120 5.173 1.00 1.78 N ATOM 185 CZ ARG A 12 2.500 -10.672 6.113 1.00 2.34 C ATOM 186 NH1 ARG A 12 2.049 -10.105 7.233 1.00 2.59 N ATOM 187 NH2 ARG A 12 3.797 -10.731 5.882 1.00 3.25 N ATOM 0 H ARG A 12 -0.782 -8.774 2.259 1.00 0.47 H new ATOM 0 HA ARG A 12 -2.600 -8.624 4.324 1.00 0.54 H new ATOM 0 HB2 ARG A 12 0.420 -8.756 4.381 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.580 -8.917 5.811 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -1.739 -10.864 4.612 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -0.451 -10.774 3.427 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -0.043 -11.123 6.424 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.000 -12.425 5.252 1.00 1.27 H new ATOM 0 HE ARG A 12 2.016 -11.304 4.242 1.00 1.78 H new ATOM 0 HH11 ARG A 12 1.045 -10.006 7.386 1.00 2.59 H new ATOM 0 HH12 ARG A 12 2.708 -9.770 7.936 1.00 2.59 H new ATOM 0 HH21 ARG A 12 4.141 -11.112 5.001 1.00 3.25 H new ATOM 0 HH22 ARG A 12 4.456 -10.396 6.585 1.00 3.25 H new ATOM 201 N ALA A 13 -0.567 -6.035 4.196 1.00 0.52 N ATOM 202 CA ALA A 13 -0.368 -4.678 4.675 1.00 0.59 C ATOM 203 C ALA A 13 -1.568 -3.793 4.327 1.00 0.59 C ATOM 204 O ALA A 13 -2.049 -3.021 5.165 1.00 0.69 O ATOM 205 CB ALA A 13 0.910 -4.102 4.098 1.00 0.66 C ATOM 0 H ALA A 13 0.102 -6.332 3.485 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.278 -4.706 5.761 1.00 0.59 H new ATOM 0 HB1 ALA A 13 1.048 -3.085 4.464 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.757 -4.716 4.404 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.845 -4.090 3.010 1.00 0.66 H new ATOM 211 N LEU A 14 -2.062 -3.924 3.104 1.00 0.52 N ATOM 212 CA LEU A 14 -3.218 -3.192 2.658 1.00 0.55 C ATOM 213 C LEU A 14 -4.482 -3.585 3.427 1.00 0.58 C ATOM 214 O LEU A 14 -5.221 -2.724 3.875 1.00 0.68 O ATOM 215 CB LEU A 14 -3.406 -3.389 1.157 1.00 0.52 C ATOM 216 CG LEU A 14 -2.554 -2.520 0.206 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.056 -1.092 0.181 1.00 1.30 C ATOM 218 CD2 LEU A 14 -1.071 -2.517 0.560 1.00 1.05 C ATOM 0 H LEU A 14 -1.665 -4.545 2.399 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.046 -2.135 2.861 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.202 -4.435 0.928 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.456 -3.210 0.924 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.660 -2.974 -0.779 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.439 -0.501 -0.496 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -4.090 -1.076 -0.163 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.001 -0.669 1.184 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.530 -1.888 -0.147 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -0.939 -2.126 1.569 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -0.683 -3.534 0.511 1.00 1.05 H new ATOM 230 N VAL A 15 -4.719 -4.876 3.601 1.00 0.57 N ATOM 231 CA VAL A 15 -5.911 -5.333 4.320 1.00 0.66 C ATOM 232 C VAL A 15 -5.845 -4.976 5.834 1.00 0.72 C ATOM 233 O VAL A 15 -6.860 -4.959 6.539 1.00 0.91 O ATOM 234 CB VAL A 15 -6.253 -6.851 4.061 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.228 -7.790 4.654 1.00 0.88 C ATOM 236 CG2 VAL A 15 -7.662 -7.211 4.516 1.00 1.01 C ATOM 0 H VAL A 15 -4.113 -5.623 3.261 1.00 0.57 H new ATOM 0 HA VAL A 15 -6.752 -4.779 3.902 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.216 -6.983 2.980 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -5.515 -8.821 4.445 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.252 -7.588 4.213 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.177 -7.639 5.732 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -7.850 -8.266 4.317 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -7.759 -7.021 5.585 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.386 -6.604 3.972 1.00 1.01 H new ATOM 246 N GLU A 16 -4.641 -4.653 6.307 1.00 0.66 N ATOM 247 CA GLU A 16 -4.450 -4.177 7.668 1.00 0.79 C ATOM 248 C GLU A 16 -4.753 -2.685 7.762 1.00 0.83 C ATOM 249 O GLU A 16 -5.156 -2.194 8.820 1.00 0.98 O ATOM 250 CB GLU A 16 -3.023 -4.431 8.174 1.00 0.94 C ATOM 251 CG GLU A 16 -2.679 -5.884 8.450 1.00 1.08 C ATOM 252 CD GLU A 16 -1.264 -6.047 8.957 1.00 1.28 C ATOM 253 OE1 GLU A 16 -1.001 -5.737 10.135 1.00 1.49 O ATOM 254 OE2 GLU A 16 -0.383 -6.488 8.201 1.00 1.71 O ATOM 0 H GLU A 16 -3.782 -4.715 5.760 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.142 -4.737 8.297 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.320 -4.042 7.437 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -2.873 -3.859 9.090 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.376 -6.288 9.185 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -2.806 -6.466 7.537 1.00 1.08 H new ATOM 261 N SER A 17 -4.541 -1.961 6.675 1.00 0.77 N ATOM 262 CA SER A 17 -4.775 -0.535 6.668 1.00 0.91 C ATOM 263 C SER A 17 -6.281 -0.304 6.489 1.00 0.95 C ATOM 264 O SER A 17 -6.946 0.227 7.389 1.00 1.24 O ATOM 265 CB SER A 17 -3.937 0.140 5.556 1.00 0.98 C ATOM 266 OG SER A 17 -3.826 1.560 5.719 1.00 1.24 O ATOM 0 H SER A 17 -4.208 -2.341 5.789 1.00 0.77 H new ATOM 0 HA SER A 17 -4.460 -0.082 7.608 1.00 0.91 H new ATOM 0 HB2 SER A 17 -2.939 -0.298 5.545 1.00 0.98 H new ATOM 0 HB3 SER A 17 -4.389 -0.074 4.588 1.00 0.98 H new ATOM 0 HG SER A 17 -4.464 2.008 5.125 1.00 1.24 H new ATOM 272 N ALA A 18 -6.831 -0.739 5.363 1.00 0.83 N ATOM 273 CA ALA A 18 -8.263 -0.657 5.148 1.00 0.94 C ATOM 274 C ALA A 18 -8.968 -1.793 5.870 1.00 1.41 C ATOM 275 O ALA A 18 -9.309 -2.827 5.276 1.00 2.05 O ATOM 276 CB ALA A 18 -8.627 -0.652 3.673 1.00 1.05 C ATOM 0 H ALA A 18 -6.307 -1.150 4.590 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.600 0.294 5.561 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.710 -0.589 3.566 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.164 0.207 3.187 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.269 -1.570 3.207 1.00 1.05 H new ATOM 393 N GLY A 28 -6.691 -10.511 -2.875 1.00 0.95 N ATOM 394 CA GLY A 28 -6.090 -10.983 -4.100 1.00 1.09 C ATOM 395 C GLY A 28 -6.129 -9.940 -5.168 1.00 0.84 C ATOM 396 O GLY A 28 -5.100 -9.566 -5.732 1.00 1.04 O ATOM 0 HA2 GLY A 28 -5.056 -11.273 -3.911 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -6.614 -11.875 -4.443 1.00 1.09 H new ATOM 400 N ASP A 29 -7.303 -9.470 -5.447 1.00 0.80 N ATOM 401 CA ASP A 29 -7.502 -8.436 -6.423 1.00 0.86 C ATOM 402 C ASP A 29 -7.533 -7.093 -5.733 1.00 0.77 C ATOM 403 O ASP A 29 -8.415 -6.809 -4.926 1.00 1.01 O ATOM 404 CB ASP A 29 -8.761 -8.692 -7.282 1.00 1.28 C ATOM 405 CG ASP A 29 -10.057 -8.784 -6.504 1.00 1.96 C ATOM 406 OD1 ASP A 29 -10.176 -9.659 -5.631 1.00 2.61 O ATOM 407 OD2 ASP A 29 -10.949 -7.917 -6.694 1.00 2.38 O ATOM 0 H ASP A 29 -8.162 -9.794 -5.002 1.00 0.80 H new ATOM 0 HA ASP A 29 -6.665 -8.440 -7.121 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -8.851 -7.891 -8.016 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -8.621 -9.619 -7.838 1.00 1.28 H new ATOM 412 N PHE A 30 -6.532 -6.295 -6.028 1.00 0.58 N ATOM 413 CA PHE A 30 -6.334 -4.987 -5.403 1.00 0.52 C ATOM 414 C PHE A 30 -5.136 -4.305 -6.061 1.00 0.46 C ATOM 415 O PHE A 30 -5.112 -3.106 -6.230 1.00 0.44 O ATOM 416 CB PHE A 30 -6.062 -5.122 -3.860 1.00 0.56 C ATOM 417 CG PHE A 30 -4.708 -5.706 -3.510 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.452 -7.059 -3.657 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.681 -4.881 -3.072 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.205 -7.572 -3.382 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.435 -5.391 -2.788 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.196 -6.735 -2.948 1.00 0.89 C ATOM 0 H PHE A 30 -5.817 -6.530 -6.717 1.00 0.58 H new ATOM 0 HA PHE A 30 -7.241 -4.398 -5.539 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.149 -4.137 -3.401 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.838 -5.748 -3.420 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.239 -7.719 -3.991 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -3.863 -3.823 -2.952 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.016 -8.628 -3.505 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -1.648 -4.738 -2.441 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.217 -7.137 -2.734 1.00 0.89 H new ATOM 432 N LEU A 31 -4.166 -5.132 -6.445 1.00 0.48 N ATOM 433 CA LEU A 31 -2.866 -4.735 -6.985 1.00 0.49 C ATOM 434 C LEU A 31 -3.003 -3.741 -8.153 1.00 0.43 C ATOM 435 O LEU A 31 -2.271 -2.751 -8.223 1.00 0.46 O ATOM 436 CB LEU A 31 -2.091 -6.036 -7.372 1.00 0.62 C ATOM 437 CG LEU A 31 -0.580 -5.965 -7.707 1.00 0.73 C ATOM 438 CD1 LEU A 31 -0.309 -5.316 -9.042 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.188 -5.261 -6.603 1.00 1.53 C ATOM 0 H LEU A 31 -4.269 -6.145 -6.386 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.296 -4.193 -6.231 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.208 -6.741 -6.549 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.595 -6.469 -8.236 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.228 -6.994 -7.778 1.00 0.73 H new ATOM 0 HD11 LEU A 31 0.765 -5.293 -9.224 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.799 -5.887 -9.830 1.00 1.15 H new ATOM 0 HD13 LEU A 31 -0.698 -4.298 -9.037 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.246 -5.224 -6.862 1.00 1.53 H new ATOM 0 HD22 LEU A 31 -0.192 -4.246 -6.485 1.00 1.53 H new ATOM 0 HD23 LEU A 31 0.062 -5.806 -5.668 1.00 1.53 H new ATOM 451 N ASP A 32 -3.943 -4.007 -9.031 1.00 0.43 N ATOM 452 CA ASP A 32 -4.179 -3.169 -10.214 1.00 0.49 C ATOM 453 C ASP A 32 -5.403 -2.271 -10.027 1.00 0.41 C ATOM 454 O ASP A 32 -5.849 -1.602 -10.965 1.00 0.51 O ATOM 455 CB ASP A 32 -4.362 -4.048 -11.458 1.00 0.68 C ATOM 456 CG ASP A 32 -5.557 -4.978 -11.362 1.00 1.43 C ATOM 457 OD1 ASP A 32 -5.518 -5.947 -10.574 1.00 2.17 O ATOM 458 OD2 ASP A 32 -6.581 -4.724 -12.048 1.00 1.99 O ATOM 0 H ASP A 32 -4.572 -4.807 -8.957 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.307 -2.529 -10.348 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -4.477 -3.408 -12.333 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -3.460 -4.640 -11.612 1.00 0.68 H new ATOM 463 N LEU A 33 -5.937 -2.258 -8.834 1.00 0.36 N ATOM 464 CA LEU A 33 -7.099 -1.446 -8.518 1.00 0.35 C ATOM 465 C LEU A 33 -6.662 -0.063 -8.078 1.00 0.32 C ATOM 466 O LEU A 33 -5.627 0.089 -7.425 1.00 0.38 O ATOM 467 CB LEU A 33 -8.002 -2.112 -7.452 1.00 0.46 C ATOM 468 CG LEU A 33 -8.912 -3.286 -7.906 1.00 0.70 C ATOM 469 CD1 LEU A 33 -8.125 -4.438 -8.514 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.747 -3.785 -6.740 1.00 1.56 C ATOM 0 H LEU A 33 -5.585 -2.807 -8.050 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.699 -1.355 -9.423 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.360 -2.476 -6.650 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.641 -1.339 -7.024 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.565 -2.896 -8.687 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -8.812 -5.230 -8.813 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -7.577 -4.084 -9.387 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -7.422 -4.827 -7.778 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -10.380 -4.608 -7.072 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -9.089 -4.132 -5.943 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -10.372 -2.974 -6.367 1.00 1.56 H new ATOM 482 N ARG A 34 -7.435 0.935 -8.435 1.00 0.39 N ATOM 483 CA ARG A 34 -7.100 2.318 -8.111 1.00 0.49 C ATOM 484 C ARG A 34 -7.401 2.557 -6.644 1.00 0.45 C ATOM 485 O ARG A 34 -8.459 2.131 -6.159 1.00 0.50 O ATOM 486 CB ARG A 34 -7.947 3.294 -8.952 1.00 0.73 C ATOM 487 CG ARG A 34 -8.056 2.937 -10.426 1.00 0.89 C ATOM 488 CD ARG A 34 -6.714 2.865 -11.121 1.00 0.95 C ATOM 489 NE ARG A 34 -6.865 2.298 -12.466 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.879 1.948 -13.284 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.639 2.332 -13.040 1.00 2.76 N ATOM 492 NH2 ARG A 34 -6.167 1.283 -14.397 1.00 3.48 N ATOM 0 H ARG A 34 -8.307 0.823 -8.953 1.00 0.39 H new ATOM 0 HA ARG A 34 -6.045 2.487 -8.327 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.950 3.340 -8.529 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.518 4.292 -8.865 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -8.561 1.976 -10.524 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -8.679 3.678 -10.928 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.277 3.861 -11.186 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -6.027 2.253 -10.536 1.00 0.95 H new ATOM 0 HE ARG A 34 -7.817 2.160 -12.805 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.434 2.901 -12.219 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.887 2.059 -13.673 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -7.135 1.048 -14.614 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -5.420 1.008 -15.034 1.00 3.48 H new ATOM 506 N PHE A 35 -6.491 3.207 -5.931 1.00 0.43 N ATOM 507 CA PHE A 35 -6.699 3.527 -4.511 1.00 0.43 C ATOM 508 C PHE A 35 -8.027 4.222 -4.241 1.00 0.48 C ATOM 509 O PHE A 35 -8.745 3.856 -3.305 1.00 0.52 O ATOM 510 CB PHE A 35 -5.533 4.303 -3.911 1.00 0.44 C ATOM 511 CG PHE A 35 -4.352 3.437 -3.608 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.325 2.681 -2.448 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.281 3.368 -4.463 1.00 0.53 C ATOM 514 CE1 PHE A 35 -3.251 1.878 -2.151 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.205 2.566 -4.170 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.189 1.819 -3.013 1.00 0.60 C ATOM 0 H PHE A 35 -5.598 3.527 -6.306 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.744 2.564 -4.003 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.232 5.090 -4.603 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.862 4.793 -2.995 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -5.162 2.724 -1.766 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.284 3.949 -5.374 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.244 1.296 -1.241 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.367 2.521 -4.850 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.342 1.189 -2.787 1.00 0.60 H new ATOM 526 N GLU A 36 -8.368 5.177 -5.094 1.00 0.53 N ATOM 527 CA GLU A 36 -9.613 5.941 -4.979 1.00 0.67 C ATOM 528 C GLU A 36 -10.844 5.022 -4.990 1.00 0.73 C ATOM 529 O GLU A 36 -11.861 5.318 -4.368 1.00 0.87 O ATOM 530 CB GLU A 36 -9.731 6.928 -6.131 1.00 0.75 C ATOM 531 CG GLU A 36 -8.524 7.821 -6.325 1.00 1.26 C ATOM 532 CD GLU A 36 -8.169 8.624 -5.111 1.00 1.59 C ATOM 533 OE1 GLU A 36 -8.912 9.559 -4.760 1.00 2.04 O ATOM 534 OE2 GLU A 36 -7.128 8.356 -4.498 1.00 1.90 O ATOM 0 H GLU A 36 -7.791 5.449 -5.890 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.580 6.472 -4.028 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -9.906 6.372 -7.052 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -10.607 7.555 -5.966 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -7.669 7.206 -6.606 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -8.715 8.500 -7.156 1.00 1.26 H new ATOM 541 N ASP A 37 -10.717 3.895 -5.663 1.00 0.70 N ATOM 542 CA ASP A 37 -11.828 2.970 -5.862 1.00 0.83 C ATOM 543 C ASP A 37 -11.961 2.029 -4.678 1.00 0.82 C ATOM 544 O ASP A 37 -13.058 1.619 -4.312 1.00 0.98 O ATOM 545 CB ASP A 37 -11.597 2.160 -7.149 1.00 0.94 C ATOM 546 CG ASP A 37 -12.750 1.242 -7.519 1.00 1.41 C ATOM 547 OD1 ASP A 37 -12.784 0.085 -7.076 1.00 2.12 O ATOM 548 OD2 ASP A 37 -13.622 1.664 -8.323 1.00 1.71 O ATOM 0 H ASP A 37 -9.842 3.590 -6.090 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.750 3.544 -5.951 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -11.418 2.851 -7.973 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -10.693 1.562 -7.032 1.00 0.94 H new ATOM 553 N ILE A 38 -10.851 1.737 -4.035 1.00 0.68 N ATOM 554 CA ILE A 38 -10.847 0.788 -2.928 1.00 0.70 C ATOM 555 C ILE A 38 -10.908 1.467 -1.557 1.00 0.72 C ATOM 556 O ILE A 38 -10.486 0.905 -0.550 1.00 0.82 O ATOM 557 CB ILE A 38 -9.664 -0.212 -3.009 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.312 0.528 -3.112 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.866 -1.145 -4.191 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.097 -0.384 -3.182 1.00 0.75 C ATOM 0 H ILE A 38 -9.939 2.138 -4.254 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.767 0.214 -3.035 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.640 -0.801 -2.092 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.326 1.162 -3.998 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.206 1.187 -2.250 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -9.034 -1.847 -4.247 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.798 -1.696 -4.065 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.911 -0.562 -5.111 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.192 0.220 -3.253 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -7.053 -1.001 -2.284 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.174 -1.026 -4.060 1.00 0.75 H new ATOM 572 N GLY A 39 -11.501 2.647 -1.529 1.00 0.75 N ATOM 573 CA GLY A 39 -11.718 3.366 -0.278 1.00 0.87 C ATOM 574 C GLY A 39 -10.461 3.991 0.298 1.00 0.68 C ATOM 575 O GLY A 39 -10.420 4.369 1.483 1.00 0.76 O ATOM 0 H GLY A 39 -11.843 3.132 -2.358 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.458 4.149 -0.444 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.140 2.679 0.456 1.00 0.87 H new ATOM 579 N TYR A 40 -9.442 4.115 -0.511 1.00 0.55 N ATOM 580 CA TYR A 40 -8.216 4.686 -0.053 1.00 0.52 C ATOM 581 C TYR A 40 -8.128 6.140 -0.314 1.00 0.56 C ATOM 582 O TYR A 40 -7.894 6.581 -1.440 1.00 0.71 O ATOM 583 CB TYR A 40 -6.997 3.970 -0.582 1.00 0.60 C ATOM 584 CG TYR A 40 -6.587 2.820 0.266 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.123 1.561 0.089 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.656 3.008 1.263 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.740 0.516 0.893 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.265 1.982 2.064 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.805 0.737 1.881 1.00 0.93 C ATOM 590 OH TYR A 40 -5.422 -0.288 2.691 1.00 1.21 O ATOM 0 H TYR A 40 -9.443 3.826 -1.489 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.227 4.548 1.028 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.200 3.615 -1.592 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.169 4.676 -0.653 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.852 1.396 -0.691 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.229 3.989 1.411 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.166 -0.467 0.753 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.533 2.148 2.840 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.916 -1.099 2.448 1.00 1.21 H new ATOM 600 N ASP A 41 -8.368 6.886 0.712 1.00 0.58 N ATOM 601 CA ASP A 41 -8.176 8.298 0.673 1.00 0.77 C ATOM 602 C ASP A 41 -6.739 8.569 1.074 1.00 0.91 C ATOM 603 O ASP A 41 -6.048 7.662 1.536 1.00 1.78 O ATOM 604 CB ASP A 41 -9.134 9.025 1.621 1.00 0.86 C ATOM 605 CG ASP A 41 -8.836 8.746 3.068 1.00 1.62 C ATOM 606 OD1 ASP A 41 -9.313 7.734 3.593 1.00 2.34 O ATOM 607 OD2 ASP A 41 -8.121 9.547 3.707 1.00 2.07 O ATOM 0 H ASP A 41 -8.705 6.531 1.607 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.383 8.669 -0.331 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -9.072 10.098 1.441 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -10.158 8.723 1.400 1.00 0.86 H new ATOM 612 N SER A 42 -6.324 9.784 0.910 1.00 0.59 N ATOM 613 CA SER A 42 -4.980 10.256 1.211 1.00 0.58 C ATOM 614 C SER A 42 -4.496 9.843 2.626 1.00 0.51 C ATOM 615 O SER A 42 -3.375 9.386 2.796 1.00 0.51 O ATOM 616 CB SER A 42 -5.034 11.750 1.120 1.00 0.71 C ATOM 617 OG SER A 42 -6.128 12.177 2.004 1.00 0.97 O ATOM 0 H SER A 42 -6.929 10.520 0.546 1.00 0.59 H new ATOM 0 HA SER A 42 -4.275 9.812 0.508 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.088 12.193 1.430 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.215 12.071 0.094 1.00 0.71 H new ATOM 0 HG SER A 42 -6.204 13.154 1.982 1.00 0.97 H new ATOM 622 N LEU A 43 -5.367 9.981 3.615 1.00 0.48 N ATOM 623 CA LEU A 43 -5.012 9.709 4.991 1.00 0.51 C ATOM 624 C LEU A 43 -4.865 8.205 5.185 1.00 0.46 C ATOM 625 O LEU A 43 -3.926 7.755 5.808 1.00 0.50 O ATOM 626 CB LEU A 43 -6.052 10.359 5.960 1.00 0.60 C ATOM 627 CG LEU A 43 -5.745 10.401 7.489 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.849 9.037 8.158 1.00 1.40 C ATOM 629 CD2 LEU A 43 -4.378 11.017 7.744 1.00 1.64 C ATOM 0 H LEU A 43 -6.332 10.283 3.483 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.050 10.162 5.232 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.212 11.385 5.629 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -6.997 9.831 5.829 1.00 0.60 H new ATOM 0 HG LEU A 43 -6.513 11.028 7.941 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -5.624 9.135 9.220 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -6.860 8.648 8.035 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.138 8.351 7.698 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -4.182 11.037 8.816 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -3.612 10.422 7.247 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -4.358 12.034 7.352 1.00 1.64 H new ATOM 641 N ALA A 44 -5.758 7.437 4.594 1.00 0.44 N ATOM 642 CA ALA A 44 -5.669 5.978 4.684 1.00 0.45 C ATOM 643 C ALA A 44 -4.411 5.496 3.971 1.00 0.41 C ATOM 644 O ALA A 44 -3.704 4.623 4.451 1.00 0.47 O ATOM 645 CB ALA A 44 -6.897 5.331 4.073 1.00 0.51 C ATOM 0 H ALA A 44 -6.548 7.785 4.050 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.618 5.692 5.735 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.813 4.247 4.149 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.787 5.664 4.606 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.975 5.616 3.024 1.00 0.51 H new ATOM 651 N LEU A 45 -4.132 6.126 2.850 1.00 0.39 N ATOM 652 CA LEU A 45 -2.975 5.833 2.030 1.00 0.42 C ATOM 653 C LEU A 45 -1.682 6.141 2.787 1.00 0.41 C ATOM 654 O LEU A 45 -0.722 5.346 2.762 1.00 0.44 O ATOM 655 CB LEU A 45 -3.054 6.663 0.751 1.00 0.50 C ATOM 656 CG LEU A 45 -1.920 6.513 -0.256 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.827 5.081 -0.764 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.139 7.474 -1.404 1.00 0.90 C ATOM 0 H LEU A 45 -4.716 6.873 2.475 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.969 4.772 1.780 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -3.987 6.415 0.246 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.115 7.714 1.035 1.00 0.50 H new ATOM 0 HG LEU A 45 -0.976 6.749 0.236 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.010 5.002 -1.481 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.641 4.409 0.074 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.763 4.805 -1.249 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.329 7.369 -2.126 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.089 7.251 -1.889 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.157 8.496 -1.025 1.00 0.90 H new ATOM 670 N MET A 46 -1.654 7.281 3.467 1.00 0.42 N ATOM 671 CA MET A 46 -0.484 7.657 4.239 1.00 0.48 C ATOM 672 C MET A 46 -0.301 6.700 5.396 1.00 0.46 C ATOM 673 O MET A 46 0.818 6.380 5.758 1.00 0.53 O ATOM 674 CB MET A 46 -0.513 9.146 4.708 1.00 0.57 C ATOM 675 CG MET A 46 -1.466 9.509 5.856 1.00 0.58 C ATOM 676 SD MET A 46 -0.862 9.045 7.511 1.00 1.46 S ATOM 677 CE MET A 46 0.686 9.951 7.575 1.00 1.78 C ATOM 0 H MET A 46 -2.421 7.952 3.498 1.00 0.42 H new ATOM 0 HA MET A 46 0.383 7.581 3.582 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.497 9.424 5.009 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.771 9.765 3.848 1.00 0.57 H new ATOM 0 HG2 MET A 46 -1.646 10.584 5.836 1.00 0.58 H new ATOM 0 HG3 MET A 46 -2.426 9.022 5.683 1.00 0.58 H new ATOM 0 HE1 MET A 46 0.961 10.128 8.615 1.00 1.78 H new ATOM 0 HE2 MET A 46 1.468 9.370 7.086 1.00 1.78 H new ATOM 0 HE3 MET A 46 0.570 10.906 7.063 1.00 1.78 H new ATOM 687 N GLU A 47 -1.416 6.213 5.946 1.00 0.44 N ATOM 688 CA GLU A 47 -1.380 5.250 7.027 1.00 0.49 C ATOM 689 C GLU A 47 -0.730 3.964 6.585 1.00 0.47 C ATOM 690 O GLU A 47 0.062 3.381 7.328 1.00 0.51 O ATOM 691 CB GLU A 47 -2.758 4.951 7.559 1.00 0.54 C ATOM 692 CG GLU A 47 -3.408 6.063 8.325 1.00 0.78 C ATOM 693 CD GLU A 47 -4.590 5.554 9.078 1.00 1.06 C ATOM 694 OE1 GLU A 47 -5.654 5.363 8.441 1.00 1.88 O ATOM 695 OE2 GLU A 47 -4.513 5.383 10.307 1.00 1.03 O ATOM 0 H GLU A 47 -2.356 6.478 5.652 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.789 5.700 7.825 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.402 4.685 6.721 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.697 4.075 8.205 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.691 6.504 9.017 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.718 6.852 7.640 1.00 0.78 H new ATOM 702 N THR A 48 -1.060 3.530 5.378 1.00 0.45 N ATOM 703 CA THR A 48 -0.477 2.350 4.796 1.00 0.48 C ATOM 704 C THR A 48 1.042 2.545 4.734 1.00 0.44 C ATOM 705 O THR A 48 1.803 1.796 5.355 1.00 0.46 O ATOM 706 CB THR A 48 -1.017 2.167 3.362 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.444 2.237 3.369 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.588 0.821 2.790 1.00 0.65 C ATOM 0 H THR A 48 -1.743 3.994 4.779 1.00 0.45 H new ATOM 0 HA THR A 48 -0.727 1.474 5.394 1.00 0.48 H new ATOM 0 HB THR A 48 -0.608 2.963 2.740 1.00 0.54 H new ATOM 0 HG1 THR A 48 -2.778 2.019 4.264 1.00 0.63 H new ATOM 0 HG21 THR A 48 -0.980 0.714 1.779 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.500 0.767 2.765 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.977 0.019 3.417 1.00 0.65 H new ATOM 716 N ALA A 49 1.457 3.585 4.025 1.00 0.45 N ATOM 717 CA ALA A 49 2.862 3.903 3.828 1.00 0.48 C ATOM 718 C ALA A 49 3.613 4.083 5.144 1.00 0.44 C ATOM 719 O ALA A 49 4.672 3.505 5.328 1.00 0.45 O ATOM 720 CB ALA A 49 2.997 5.139 2.983 1.00 0.57 C ATOM 0 H ALA A 49 0.821 4.237 3.566 1.00 0.45 H new ATOM 0 HA ALA A 49 3.314 3.054 3.315 1.00 0.48 H new ATOM 0 HB1 ALA A 49 4.053 5.369 2.841 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.529 4.970 2.013 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.507 5.976 3.481 1.00 0.57 H new ATOM 726 N ALA A 50 3.043 4.857 6.055 1.00 0.44 N ATOM 727 CA ALA A 50 3.664 5.138 7.349 1.00 0.46 C ATOM 728 C ALA A 50 3.852 3.872 8.158 1.00 0.44 C ATOM 729 O ALA A 50 4.851 3.717 8.877 1.00 0.44 O ATOM 730 CB ALA A 50 2.827 6.130 8.139 1.00 0.56 C ATOM 0 H ALA A 50 2.138 5.309 5.923 1.00 0.44 H new ATOM 0 HA ALA A 50 4.645 5.571 7.154 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.305 6.326 9.099 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.741 7.061 7.579 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.833 5.715 8.307 1.00 0.56 H new ATOM 736 N ARG A 51 2.901 2.967 8.045 1.00 0.46 N ATOM 737 CA ARG A 51 2.957 1.714 8.760 1.00 0.48 C ATOM 738 C ARG A 51 4.025 0.832 8.131 1.00 0.46 C ATOM 739 O ARG A 51 4.735 0.117 8.823 1.00 0.49 O ATOM 740 CB ARG A 51 1.597 1.035 8.716 1.00 0.54 C ATOM 741 CG ARG A 51 1.428 -0.126 9.671 1.00 0.78 C ATOM 742 CD ARG A 51 0.027 -0.686 9.564 1.00 0.80 C ATOM 743 NE ARG A 51 -1.000 0.362 9.744 1.00 1.68 N ATOM 744 CZ ARG A 51 -2.322 0.157 9.709 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.804 -1.075 9.808 1.00 1.80 N ATOM 746 NH2 ARG A 51 -3.150 1.193 9.697 1.00 3.14 N ATOM 0 H ARG A 51 2.074 3.080 7.459 1.00 0.46 H new ATOM 0 HA ARG A 51 3.214 1.890 9.804 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.830 1.778 8.933 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.418 0.680 7.701 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.157 -0.903 9.444 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.620 0.202 10.693 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.102 -1.158 8.590 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.112 -1.463 10.315 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.676 1.315 9.908 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -2.167 -1.865 9.911 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.811 -1.232 9.781 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -2.779 2.143 9.714 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -4.158 1.040 9.670 1.00 3.14 H new ATOM 760 N LEU A 52 4.142 0.915 6.810 1.00 0.44 N ATOM 761 CA LEU A 52 5.166 0.188 6.071 1.00 0.46 C ATOM 762 C LEU A 52 6.541 0.673 6.491 1.00 0.38 C ATOM 763 O LEU A 52 7.457 -0.127 6.690 1.00 0.40 O ATOM 764 CB LEU A 52 4.993 0.381 4.559 1.00 0.55 C ATOM 765 CG LEU A 52 3.685 -0.124 3.957 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.602 0.243 2.493 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.558 -1.622 4.130 1.00 0.80 C ATOM 0 H LEU A 52 3.532 1.486 6.224 1.00 0.44 H new ATOM 0 HA LEU A 52 5.064 -0.873 6.298 1.00 0.46 H new ATOM 0 HB2 LEU A 52 5.083 1.444 4.338 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.818 -0.121 4.054 1.00 0.55 H new ATOM 0 HG LEU A 52 2.860 0.354 4.485 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.663 -0.124 2.078 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.646 1.327 2.387 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.437 -0.209 1.957 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.618 -1.960 3.694 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.390 -2.118 3.630 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.574 -1.868 5.192 1.00 0.80 H new ATOM 779 N GLU A 53 6.668 1.987 6.647 1.00 0.35 N ATOM 780 CA GLU A 53 7.913 2.603 7.070 1.00 0.33 C ATOM 781 C GLU A 53 8.366 2.063 8.421 1.00 0.34 C ATOM 782 O GLU A 53 9.476 1.527 8.538 1.00 0.41 O ATOM 783 CB GLU A 53 7.803 4.131 7.122 1.00 0.34 C ATOM 784 CG GLU A 53 7.554 4.781 5.774 1.00 0.35 C ATOM 785 CD GLU A 53 7.532 6.292 5.848 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.508 6.889 6.242 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.554 6.916 5.525 1.00 0.49 O ATOM 0 H GLU A 53 5.911 2.650 6.483 1.00 0.35 H new ATOM 0 HA GLU A 53 8.663 2.344 6.323 1.00 0.33 H new ATOM 0 HB2 GLU A 53 6.994 4.403 7.800 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.722 4.536 7.544 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.330 4.467 5.075 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.603 4.427 5.375 1.00 0.35 H new ATOM 794 N SER A 54 7.501 2.165 9.421 1.00 0.36 N ATOM 795 CA SER A 54 7.824 1.705 10.756 1.00 0.43 C ATOM 796 C SER A 54 8.024 0.179 10.823 1.00 0.42 C ATOM 797 O SER A 54 8.938 -0.311 11.497 1.00 0.48 O ATOM 798 CB SER A 54 6.778 2.203 11.771 1.00 0.55 C ATOM 799 OG SER A 54 5.443 1.946 11.329 1.00 1.22 O ATOM 0 H SER A 54 6.567 2.565 9.328 1.00 0.36 H new ATOM 0 HA SER A 54 8.785 2.140 11.029 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.943 1.715 12.732 1.00 0.55 H new ATOM 0 HB3 SER A 54 6.908 3.273 11.931 1.00 0.55 H new ATOM 0 HG SER A 54 5.461 1.298 10.594 1.00 1.22 H new ATOM 805 N ARG A 55 7.188 -0.559 10.121 1.00 0.44 N ATOM 806 CA ARG A 55 7.271 -2.007 10.114 1.00 0.51 C ATOM 807 C ARG A 55 8.529 -2.526 9.411 1.00 0.56 C ATOM 808 O ARG A 55 9.297 -3.267 9.990 1.00 0.64 O ATOM 809 CB ARG A 55 6.022 -2.622 9.487 1.00 0.60 C ATOM 810 CG ARG A 55 6.048 -4.136 9.416 1.00 0.77 C ATOM 811 CD ARG A 55 4.774 -4.686 8.816 1.00 0.95 C ATOM 812 NE ARG A 55 3.613 -4.417 9.660 1.00 1.51 N ATOM 813 CZ ARG A 55 2.383 -4.872 9.441 1.00 1.97 C ATOM 814 NH1 ARG A 55 2.101 -5.552 8.333 1.00 1.87 N ATOM 815 NH2 ARG A 55 1.432 -4.642 10.326 1.00 2.88 N ATOM 0 H ARG A 55 6.438 -0.177 9.544 1.00 0.44 H new ATOM 0 HA ARG A 55 7.336 -2.317 11.157 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.149 -2.311 10.061 1.00 0.60 H new ATOM 0 HB3 ARG A 55 5.900 -2.224 8.480 1.00 0.60 H new ATOM 0 HG2 ARG A 55 6.901 -4.458 8.819 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.186 -4.546 10.417 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.617 -4.245 7.832 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.876 -5.762 8.671 1.00 0.95 H new ATOM 0 HE ARG A 55 3.757 -3.833 10.484 1.00 1.51 H new ATOM 0 HH11 ARG A 55 2.831 -5.728 7.643 1.00 1.87 H new ATOM 0 HH12 ARG A 55 1.155 -5.897 8.173 1.00 1.87 H new ATOM 0 HH21 ARG A 55 1.641 -4.117 11.175 1.00 2.88 H new ATOM 0 HH22 ARG A 55 0.487 -4.989 10.161 1.00 2.88 H new ATOM 829 N TYR A 56 8.745 -2.112 8.187 1.00 0.56 N ATOM 830 CA TYR A 56 9.828 -2.674 7.390 1.00 0.67 C ATOM 831 C TYR A 56 11.158 -1.988 7.625 1.00 0.70 C ATOM 832 O TYR A 56 12.220 -2.580 7.368 1.00 0.86 O ATOM 833 CB TYR A 56 9.466 -2.671 5.901 1.00 0.75 C ATOM 834 CG TYR A 56 8.295 -3.569 5.572 1.00 0.85 C ATOM 835 CD1 TYR A 56 6.990 -3.116 5.685 1.00 0.82 C ATOM 836 CD2 TYR A 56 8.498 -4.878 5.170 1.00 1.09 C ATOM 837 CE1 TYR A 56 5.925 -3.939 5.414 1.00 0.96 C ATOM 838 CE2 TYR A 56 7.436 -5.707 4.888 1.00 1.24 C ATOM 839 CZ TYR A 56 6.150 -5.231 5.016 1.00 1.17 C ATOM 840 OH TYR A 56 5.087 -6.057 4.755 1.00 1.33 O ATOM 0 H TYR A 56 8.195 -1.394 7.716 1.00 0.56 H new ATOM 0 HA TYR A 56 9.952 -3.705 7.721 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.232 -1.652 5.592 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.333 -2.988 5.322 1.00 0.75 H new ATOM 0 HD1 TYR A 56 6.807 -2.097 5.992 1.00 0.82 H new ATOM 0 HD2 TYR A 56 9.506 -5.255 5.076 1.00 1.09 H new ATOM 0 HE1 TYR A 56 4.915 -3.570 5.514 1.00 0.96 H new ATOM 0 HE2 TYR A 56 7.610 -6.724 4.569 1.00 1.24 H new ATOM 0 HH TYR A 56 5.417 -6.939 4.483 1.00 1.33 H new ATOM 850 N GLY A 57 11.117 -0.784 8.147 1.00 0.61 N ATOM 851 CA GLY A 57 12.331 -0.034 8.351 1.00 0.68 C ATOM 852 C GLY A 57 12.738 0.639 7.070 1.00 0.72 C ATOM 853 O GLY A 57 13.852 0.446 6.571 1.00 0.91 O ATOM 0 H GLY A 57 10.263 -0.307 8.436 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.181 0.711 9.132 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.126 -0.698 8.692 1.00 0.68 H new ATOM 857 N VAL A 58 11.819 1.405 6.523 1.00 0.62 N ATOM 858 CA VAL A 58 12.002 2.095 5.257 1.00 0.65 C ATOM 859 C VAL A 58 11.544 3.533 5.392 1.00 0.57 C ATOM 860 O VAL A 58 10.997 3.908 6.432 1.00 0.50 O ATOM 861 CB VAL A 58 11.254 1.415 4.053 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.740 -0.004 3.826 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.742 1.424 4.252 1.00 0.57 C ATOM 0 H VAL A 58 10.907 1.571 6.950 1.00 0.62 H new ATOM 0 HA VAL A 58 13.067 2.046 5.028 1.00 0.65 H new ATOM 0 HB VAL A 58 11.486 2.005 3.166 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.201 -0.443 2.986 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.807 0.008 3.606 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.561 -0.598 4.722 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.260 0.946 3.399 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.492 0.880 5.163 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.392 2.453 4.336 1.00 0.57 H new ATOM 873 N SER A 59 11.758 4.319 4.370 1.00 0.63 N ATOM 874 CA SER A 59 11.347 5.700 4.358 1.00 0.63 C ATOM 875 C SER A 59 10.710 6.043 3.007 1.00 0.62 C ATOM 876 O SER A 59 11.369 6.028 1.961 1.00 0.73 O ATOM 877 CB SER A 59 12.539 6.610 4.658 1.00 0.83 C ATOM 878 OG SER A 59 13.067 6.343 5.960 1.00 1.41 O ATOM 0 H SER A 59 12.226 4.017 3.515 1.00 0.63 H new ATOM 0 HA SER A 59 10.601 5.860 5.136 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.315 6.459 3.908 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.231 7.654 4.593 1.00 0.83 H new ATOM 0 HG SER A 59 13.829 6.934 6.131 1.00 1.41 H new ATOM 884 N ILE A 60 9.426 6.300 3.044 1.00 0.52 N ATOM 885 CA ILE A 60 8.645 6.586 1.864 1.00 0.53 C ATOM 886 C ILE A 60 8.416 8.094 1.730 1.00 0.59 C ATOM 887 O ILE A 60 7.799 8.718 2.610 1.00 0.67 O ATOM 888 CB ILE A 60 7.277 5.847 1.899 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.502 4.330 2.003 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.449 6.182 0.656 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.227 3.522 2.111 1.00 0.55 C ATOM 0 H ILE A 60 8.885 6.317 3.908 1.00 0.52 H new ATOM 0 HA ILE A 60 9.205 6.228 1.000 1.00 0.53 H new ATOM 0 HB ILE A 60 6.723 6.182 2.776 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.058 3.995 1.128 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.124 4.125 2.874 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.496 5.655 0.701 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.268 7.256 0.618 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.993 5.874 -0.237 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.473 2.462 2.180 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.678 3.826 3.002 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.611 3.695 1.229 1.00 0.55 H new ATOM 903 N PRO A 61 8.943 8.705 0.664 1.00 0.62 N ATOM 904 CA PRO A 61 8.750 10.131 0.383 1.00 0.71 C ATOM 905 C PRO A 61 7.288 10.448 0.019 1.00 0.65 C ATOM 906 O PRO A 61 6.584 9.614 -0.575 1.00 0.57 O ATOM 907 CB PRO A 61 9.665 10.388 -0.826 1.00 0.78 C ATOM 908 CG PRO A 61 10.570 9.210 -0.894 1.00 0.77 C ATOM 909 CD PRO A 61 9.795 8.063 -0.341 1.00 0.64 C ATOM 0 HA PRO A 61 8.982 10.754 1.247 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.085 10.491 -1.743 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.231 11.311 -0.701 1.00 0.78 H new ATOM 0 HG2 PRO A 61 10.878 9.014 -1.921 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.478 9.382 -0.316 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.207 7.563 -1.111 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.447 7.310 0.102 1.00 0.64 H new ATOM 917 N ASP A 62 6.848 11.653 0.358 1.00 0.75 N ATOM 918 CA ASP A 62 5.462 12.116 0.108 1.00 0.78 C ATOM 919 C ASP A 62 5.115 12.097 -1.383 1.00 0.68 C ATOM 920 O ASP A 62 3.962 11.908 -1.752 1.00 0.67 O ATOM 921 CB ASP A 62 5.207 13.532 0.679 1.00 0.99 C ATOM 922 CG ASP A 62 5.863 14.642 -0.118 1.00 1.34 C ATOM 923 OD1 ASP A 62 7.063 14.935 0.120 1.00 1.88 O ATOM 924 OD2 ASP A 62 5.203 15.239 -0.986 1.00 2.03 O ATOM 0 H ASP A 62 7.434 12.350 0.817 1.00 0.75 H new ATOM 0 HA ASP A 62 4.813 11.412 0.629 1.00 0.78 H new ATOM 0 HB2 ASP A 62 4.132 13.710 0.716 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.572 13.570 1.705 1.00 0.99 H new ATOM 929 N ASP A 63 6.134 12.210 -2.230 1.00 0.67 N ATOM 930 CA ASP A 63 5.973 12.232 -3.695 1.00 0.67 C ATOM 931 C ASP A 63 5.533 10.874 -4.223 1.00 0.58 C ATOM 932 O ASP A 63 4.967 10.761 -5.315 1.00 0.60 O ATOM 933 CB ASP A 63 7.305 12.647 -4.350 1.00 0.85 C ATOM 934 CG ASP A 63 7.382 12.377 -5.841 1.00 1.44 C ATOM 935 OD1 ASP A 63 6.869 13.211 -6.633 1.00 1.95 O ATOM 936 OD2 ASP A 63 7.930 11.337 -6.254 1.00 2.23 O ATOM 0 H ASP A 63 7.104 12.290 -1.925 1.00 0.67 H new ATOM 0 HA ASP A 63 5.197 12.955 -3.947 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.465 13.711 -4.177 1.00 0.85 H new ATOM 0 HB3 ASP A 63 8.119 12.118 -3.855 1.00 0.85 H new ATOM 941 N VAL A 64 5.691 9.861 -3.417 1.00 0.60 N ATOM 942 CA VAL A 64 5.327 8.536 -3.829 1.00 0.64 C ATOM 943 C VAL A 64 3.800 8.383 -3.843 1.00 0.60 C ATOM 944 O VAL A 64 3.261 7.668 -4.665 1.00 0.58 O ATOM 945 CB VAL A 64 6.008 7.454 -2.936 1.00 0.84 C ATOM 946 CG1 VAL A 64 5.578 6.048 -3.315 1.00 0.97 C ATOM 947 CG2 VAL A 64 7.517 7.569 -3.038 1.00 0.98 C ATOM 0 H VAL A 64 6.069 9.928 -2.472 1.00 0.60 H new ATOM 0 HA VAL A 64 5.691 8.381 -4.845 1.00 0.64 H new ATOM 0 HB VAL A 64 5.691 7.635 -1.909 1.00 0.84 H new ATOM 0 HG11 VAL A 64 6.077 5.328 -2.667 1.00 0.97 H new ATOM 0 HG12 VAL A 64 4.498 5.954 -3.198 1.00 0.97 H new ATOM 0 HG13 VAL A 64 5.849 5.852 -4.352 1.00 0.97 H new ATOM 0 HG21 VAL A 64 7.983 6.809 -2.411 1.00 0.98 H new ATOM 0 HG22 VAL A 64 7.824 7.423 -4.074 1.00 0.98 H new ATOM 0 HG23 VAL A 64 7.830 8.558 -2.703 1.00 0.98 H new ATOM 957 N ALA A 65 3.116 9.158 -3.014 1.00 0.72 N ATOM 958 CA ALA A 65 1.658 9.078 -2.908 1.00 0.85 C ATOM 959 C ALA A 65 0.972 9.397 -4.224 1.00 0.80 C ATOM 960 O ALA A 65 0.178 8.609 -4.717 1.00 0.90 O ATOM 961 CB ALA A 65 1.152 9.996 -1.823 1.00 1.09 C ATOM 0 H ALA A 65 3.544 9.852 -2.402 1.00 0.72 H new ATOM 0 HA ALA A 65 1.412 8.048 -2.648 1.00 0.85 H new ATOM 0 HB1 ALA A 65 0.066 9.922 -1.760 1.00 1.09 H new ATOM 0 HB2 ALA A 65 1.591 9.707 -0.868 1.00 1.09 H new ATOM 0 HB3 ALA A 65 1.433 11.023 -2.055 1.00 1.09 H new ATOM 967 N GLY A 66 1.329 10.525 -4.808 1.00 0.73 N ATOM 968 CA GLY A 66 0.703 10.967 -6.037 1.00 0.81 C ATOM 969 C GLY A 66 1.136 10.203 -7.270 1.00 0.73 C ATOM 970 O GLY A 66 0.586 10.407 -8.356 1.00 0.92 O ATOM 0 H GLY A 66 2.050 11.152 -4.450 1.00 0.73 H new ATOM 0 HA2 GLY A 66 -0.378 10.879 -5.931 1.00 0.81 H new ATOM 0 HA3 GLY A 66 0.924 12.024 -6.183 1.00 0.81 H new ATOM 974 N ARG A 67 2.118 9.349 -7.139 1.00 0.56 N ATOM 975 CA ARG A 67 2.566 8.598 -8.283 1.00 0.61 C ATOM 976 C ARG A 67 2.071 7.157 -8.216 1.00 0.58 C ATOM 977 O ARG A 67 2.020 6.453 -9.227 1.00 0.79 O ATOM 978 CB ARG A 67 4.080 8.706 -8.460 1.00 0.63 C ATOM 979 CG ARG A 67 4.929 8.021 -7.407 1.00 0.57 C ATOM 980 CD ARG A 67 6.365 8.500 -7.503 1.00 0.87 C ATOM 981 NE ARG A 67 6.868 8.447 -8.878 1.00 1.64 N ATOM 982 CZ ARG A 67 7.574 9.423 -9.468 1.00 2.30 C ATOM 983 NH1 ARG A 67 7.944 10.504 -8.789 1.00 2.40 N ATOM 984 NH2 ARG A 67 7.920 9.314 -10.734 1.00 3.30 N ATOM 0 H ARG A 67 2.615 9.158 -6.269 1.00 0.56 H new ATOM 0 HA ARG A 67 2.126 9.035 -9.179 1.00 0.61 H new ATOM 0 HB2 ARG A 67 4.341 8.291 -9.433 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.348 9.762 -8.482 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.532 8.233 -6.414 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.888 6.940 -7.542 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.432 9.522 -7.131 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.996 7.885 -6.862 1.00 0.87 H new ATOM 0 HE ARG A 67 6.667 7.610 -9.425 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.691 10.600 -7.805 1.00 2.40 H new ATOM 0 HH12 ARG A 67 8.481 11.238 -9.251 1.00 2.40 H new ATOM 0 HH21 ARG A 67 7.651 8.487 -11.267 1.00 3.30 H new ATOM 0 HH22 ARG A 67 8.457 10.057 -11.182 1.00 3.30 H new ATOM 998 N VAL A 68 1.711 6.724 -7.027 1.00 0.45 N ATOM 999 CA VAL A 68 1.162 5.438 -6.815 1.00 0.45 C ATOM 1000 C VAL A 68 -0.352 5.513 -6.977 1.00 0.46 C ATOM 1001 O VAL A 68 -1.071 6.007 -6.106 1.00 0.53 O ATOM 1002 CB VAL A 68 1.536 4.933 -5.414 1.00 0.53 C ATOM 1003 CG1 VAL A 68 0.816 3.679 -5.101 1.00 1.45 C ATOM 1004 CG2 VAL A 68 3.024 4.700 -5.305 1.00 0.85 C ATOM 0 H VAL A 68 1.801 7.280 -6.177 1.00 0.45 H new ATOM 0 HA VAL A 68 1.564 4.737 -7.546 1.00 0.45 H new ATOM 0 HB VAL A 68 1.245 5.701 -4.697 1.00 0.53 H new ATOM 0 HG11 VAL A 68 1.095 3.338 -4.104 1.00 1.45 H new ATOM 0 HG12 VAL A 68 -0.259 3.858 -5.135 1.00 1.45 H new ATOM 0 HG13 VAL A 68 1.080 2.915 -5.833 1.00 1.45 H new ATOM 0 HG21 VAL A 68 3.264 4.343 -4.304 1.00 0.85 H new ATOM 0 HG22 VAL A 68 3.330 3.955 -6.039 1.00 0.85 H new ATOM 0 HG23 VAL A 68 3.553 5.634 -5.493 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.796 5.114 -8.123 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.214 5.084 -8.445 1.00 0.53 C ATOM 1016 C ASP A 69 -2.786 3.711 -8.112 1.00 0.42 C ATOM 1017 O ASP A 69 -3.971 3.562 -7.765 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.398 5.433 -9.925 1.00 0.71 C ATOM 1019 CG ASP A 69 -3.743 5.053 -10.491 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -4.769 5.626 -10.092 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -3.768 4.190 -11.400 1.00 2.04 O ATOM 0 H ASP A 69 -0.192 4.793 -8.880 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.755 5.820 -7.851 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.253 6.506 -10.054 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -1.620 4.934 -10.503 1.00 0.71 H new ATOM 1026 N THR A 70 -1.918 2.728 -8.143 1.00 0.35 N ATOM 1027 CA THR A 70 -2.274 1.367 -7.843 1.00 0.29 C ATOM 1028 C THR A 70 -1.193 0.787 -6.942 1.00 0.26 C ATOM 1029 O THR A 70 -0.033 1.242 -7.002 1.00 0.29 O ATOM 1030 CB THR A 70 -2.411 0.489 -9.133 1.00 0.37 C ATOM 1031 OG1 THR A 70 -1.202 0.521 -9.911 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.577 0.937 -9.998 1.00 0.39 C ATOM 0 H THR A 70 -0.934 2.855 -8.380 1.00 0.35 H new ATOM 0 HA THR A 70 -3.247 1.362 -7.351 1.00 0.29 H new ATOM 0 HB THR A 70 -2.598 -0.532 -8.799 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.879 1.444 -9.976 1.00 0.50 H new ATOM 0 HG21 THR A 70 -3.638 0.303 -10.883 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.504 0.857 -9.430 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.427 1.973 -10.303 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.539 -0.188 -6.067 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.582 -0.846 -5.159 1.00 0.31 C ATOM 1042 C PRO A 71 0.675 -1.355 -5.873 1.00 0.32 C ATOM 1043 O PRO A 71 1.727 -1.480 -5.262 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.386 -2.011 -4.590 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.785 -1.520 -4.605 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.913 -0.697 -5.856 1.00 0.30 C ATOM 0 HA PRO A 71 -0.203 -0.155 -4.405 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.271 -2.909 -5.196 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.062 -2.264 -3.580 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.491 -2.350 -4.608 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.000 -0.922 -3.719 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.254 -1.297 -6.700 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.629 0.115 -5.732 1.00 0.30 H new ATOM 1054 N ARG A 72 0.544 -1.643 -7.160 1.00 0.32 N ATOM 1055 CA ARG A 72 1.652 -2.057 -8.023 1.00 0.38 C ATOM 1056 C ARG A 72 2.862 -1.100 -7.915 1.00 0.35 C ATOM 1057 O ARG A 72 3.993 -1.544 -7.692 1.00 0.36 O ATOM 1058 CB ARG A 72 1.161 -2.117 -9.457 1.00 0.45 C ATOM 1059 CG ARG A 72 2.226 -2.415 -10.499 1.00 0.88 C ATOM 1060 CD ARG A 72 1.616 -2.362 -11.877 1.00 0.81 C ATOM 1061 NE ARG A 72 0.890 -1.100 -12.074 1.00 0.86 N ATOM 1062 CZ ARG A 72 0.004 -0.857 -13.029 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.203 -1.728 -14.000 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -0.681 0.271 -13.001 1.00 1.55 N ATOM 0 H ARG A 72 -0.351 -1.596 -7.647 1.00 0.32 H new ATOM 0 HA ARG A 72 1.992 -3.040 -7.697 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.386 -2.880 -9.526 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.693 -1.164 -9.703 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.037 -1.691 -10.422 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.659 -3.399 -10.320 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.398 -2.459 -12.630 1.00 0.81 H new ATOM 0 HD3 ARG A 72 0.936 -3.203 -12.012 1.00 0.81 H new ATOM 0 HE ARG A 72 1.085 -0.344 -11.418 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.323 -2.602 -14.022 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -0.888 -1.527 -14.728 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -0.525 0.944 -12.250 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.366 0.470 -13.730 1.00 1.55 H new ATOM 1078 N GLU A 73 2.606 0.210 -8.028 1.00 0.34 N ATOM 1079 CA GLU A 73 3.678 1.212 -7.962 1.00 0.36 C ATOM 1080 C GLU A 73 4.323 1.203 -6.583 1.00 0.32 C ATOM 1081 O GLU A 73 5.554 1.315 -6.446 1.00 0.35 O ATOM 1082 CB GLU A 73 3.178 2.646 -8.265 1.00 0.42 C ATOM 1083 CG GLU A 73 2.727 2.938 -9.698 1.00 0.60 C ATOM 1084 CD GLU A 73 1.456 2.244 -10.106 1.00 1.37 C ATOM 1085 OE1 GLU A 73 0.357 2.713 -9.738 1.00 2.18 O ATOM 1086 OE2 GLU A 73 1.529 1.241 -10.836 1.00 1.78 O ATOM 0 H GLU A 73 1.673 0.599 -8.165 1.00 0.34 H new ATOM 0 HA GLU A 73 4.403 0.938 -8.729 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.344 2.862 -7.597 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.977 3.343 -8.013 1.00 0.42 H new ATOM 0 HG2 GLU A 73 2.591 4.014 -9.810 1.00 0.60 H new ATOM 0 HG3 GLU A 73 3.522 2.644 -10.383 1.00 0.60 H new ATOM 1093 N LEU A 74 3.486 1.033 -5.577 1.00 0.31 N ATOM 1094 CA LEU A 74 3.904 1.016 -4.188 1.00 0.32 C ATOM 1095 C LEU A 74 4.772 -0.223 -3.926 1.00 0.30 C ATOM 1096 O LEU A 74 5.809 -0.129 -3.270 1.00 0.31 O ATOM 1097 CB LEU A 74 2.633 1.074 -3.282 1.00 0.36 C ATOM 1098 CG LEU A 74 2.796 1.225 -1.748 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.232 -0.067 -1.087 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.766 2.355 -1.414 1.00 0.44 C ATOM 0 H LEU A 74 2.483 0.901 -5.704 1.00 0.31 H new ATOM 0 HA LEU A 74 4.519 1.884 -3.951 1.00 0.32 H new ATOM 0 HB2 LEU A 74 2.022 1.907 -3.629 1.00 0.36 H new ATOM 0 HB3 LEU A 74 2.062 0.163 -3.462 1.00 0.36 H new ATOM 0 HG LEU A 74 1.814 1.477 -1.346 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.332 0.090 -0.013 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.487 -0.840 -1.273 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.191 -0.381 -1.499 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.864 2.442 -0.332 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.741 2.139 -1.851 1.00 0.44 H new ATOM 0 HD23 LEU A 74 3.386 3.292 -1.820 1.00 0.44 H new ATOM 1112 N LEU A 75 4.346 -1.361 -4.468 1.00 0.29 N ATOM 1113 CA LEU A 75 5.073 -2.624 -4.345 1.00 0.30 C ATOM 1114 C LEU A 75 6.494 -2.462 -4.863 1.00 0.29 C ATOM 1115 O LEU A 75 7.451 -2.877 -4.220 1.00 0.30 O ATOM 1116 CB LEU A 75 4.349 -3.739 -5.118 1.00 0.33 C ATOM 1117 CG LEU A 75 4.973 -5.142 -5.048 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.978 -5.666 -3.618 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.231 -6.101 -5.966 1.00 0.45 C ATOM 0 H LEU A 75 3.483 -1.435 -5.007 1.00 0.29 H new ATOM 0 HA LEU A 75 5.111 -2.902 -3.292 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.326 -3.802 -4.747 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.290 -3.444 -6.166 1.00 0.33 H new ATOM 0 HG LEU A 75 6.007 -5.070 -5.385 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.425 -6.660 -3.596 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.558 -4.994 -2.986 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.955 -5.720 -3.247 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.686 -7.090 -5.904 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.187 -6.163 -5.660 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.288 -5.739 -6.993 1.00 0.45 H new ATOM 1131 N ASP A 76 6.623 -1.851 -6.029 1.00 0.31 N ATOM 1132 CA ASP A 76 7.938 -1.576 -6.610 1.00 0.34 C ATOM 1133 C ASP A 76 8.805 -0.696 -5.704 1.00 0.32 C ATOM 1134 O ASP A 76 9.987 -0.992 -5.482 1.00 0.34 O ATOM 1135 CB ASP A 76 7.825 -0.972 -8.009 1.00 0.45 C ATOM 1136 CG ASP A 76 9.160 -0.485 -8.528 1.00 0.78 C ATOM 1137 OD1 ASP A 76 10.074 -1.308 -8.758 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.336 0.742 -8.659 1.00 1.25 O ATOM 0 H ASP A 76 5.837 -1.534 -6.596 1.00 0.31 H new ATOM 0 HA ASP A 76 8.439 -2.540 -6.700 1.00 0.34 H new ATOM 0 HB2 ASP A 76 7.420 -1.717 -8.694 1.00 0.45 H new ATOM 0 HB3 ASP A 76 7.119 -0.141 -7.989 1.00 0.45 H new ATOM 1143 N LEU A 77 8.200 0.346 -5.152 1.00 0.32 N ATOM 1144 CA LEU A 77 8.902 1.290 -4.283 1.00 0.36 C ATOM 1145 C LEU A 77 9.391 0.560 -3.023 1.00 0.34 C ATOM 1146 O LEU A 77 10.559 0.704 -2.615 1.00 0.40 O ATOM 1147 CB LEU A 77 7.950 2.482 -3.937 1.00 0.41 C ATOM 1148 CG LEU A 77 8.541 3.750 -3.239 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.960 3.504 -1.793 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.704 4.315 -4.046 1.00 1.35 C ATOM 0 H LEU A 77 7.213 0.564 -5.291 1.00 0.32 H new ATOM 0 HA LEU A 77 9.776 1.697 -4.791 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.480 2.807 -4.865 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.157 2.094 -3.297 1.00 0.41 H new ATOM 0 HG LEU A 77 7.736 4.484 -3.205 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.361 4.424 -1.369 1.00 0.94 H new ATOM 0 HD12 LEU A 77 8.094 3.184 -1.213 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.724 2.727 -1.763 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.101 5.197 -3.543 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.488 3.562 -4.131 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.356 4.591 -5.042 1.00 1.35 H new ATOM 1162 N ILE A 78 8.514 -0.248 -2.449 1.00 0.30 N ATOM 1163 CA ILE A 78 8.820 -1.012 -1.250 1.00 0.32 C ATOM 1164 C ILE A 78 9.883 -2.066 -1.525 1.00 0.33 C ATOM 1165 O ILE A 78 10.848 -2.163 -0.785 1.00 0.39 O ATOM 1166 CB ILE A 78 7.535 -1.657 -0.637 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.614 -0.566 -0.076 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.866 -2.681 0.451 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.236 0.262 1.041 1.00 0.42 C ATOM 0 H ILE A 78 7.568 -0.393 -2.802 1.00 0.30 H new ATOM 0 HA ILE A 78 9.221 -0.316 -0.514 1.00 0.32 H new ATOM 0 HB ILE A 78 7.022 -2.189 -1.438 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.322 0.100 -0.888 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.702 -1.032 0.297 1.00 0.36 H new ATOM 0 HG21 ILE A 78 6.942 -3.102 0.847 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.476 -3.479 0.027 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.416 -2.192 1.255 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.520 1.010 1.381 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.502 -0.390 1.873 1.00 0.42 H new ATOM 0 HD13 ILE A 78 8.132 0.760 0.669 1.00 0.42 H new ATOM 1181 N ASN A 79 9.727 -2.829 -2.592 1.00 0.33 N ATOM 1182 CA ASN A 79 10.703 -3.875 -2.934 1.00 0.38 C ATOM 1183 C ASN A 79 12.075 -3.311 -3.193 1.00 0.38 C ATOM 1184 O ASN A 79 13.076 -3.905 -2.779 1.00 0.42 O ATOM 1185 CB ASN A 79 10.243 -4.764 -4.097 1.00 0.46 C ATOM 1186 CG ASN A 79 9.156 -5.733 -3.683 1.00 0.57 C ATOM 1187 OD1 ASN A 79 8.392 -5.463 -2.782 1.00 1.18 O ATOM 1188 ND2 ASN A 79 9.083 -6.866 -4.333 1.00 0.82 N ATOM 0 H ASN A 79 8.943 -2.753 -3.240 1.00 0.33 H new ATOM 0 HA ASN A 79 10.769 -4.514 -2.054 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.877 -4.136 -4.909 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.096 -5.322 -4.485 1.00 0.46 H new ATOM 0 HD21 ASN A 79 8.369 -7.551 -4.086 1.00 0.82 H new ATOM 0 HD22 ASN A 79 9.741 -7.065 -5.087 1.00 0.82 H new ATOM 1195 N GLY A 80 12.129 -2.149 -3.836 1.00 0.38 N ATOM 1196 CA GLY A 80 13.399 -1.491 -4.057 1.00 0.46 C ATOM 1197 C GLY A 80 14.055 -1.123 -2.740 1.00 0.50 C ATOM 1198 O GLY A 80 15.263 -1.306 -2.560 1.00 0.62 O ATOM 0 H GLY A 80 11.317 -1.654 -4.206 1.00 0.38 H new ATOM 0 HA2 GLY A 80 14.059 -2.147 -4.626 1.00 0.46 H new ATOM 0 HA3 GLY A 80 13.248 -0.593 -4.656 1.00 0.46 H new ATOM 1202 N ALA A 81 13.241 -0.665 -1.807 1.00 0.47 N ATOM 1203 CA ALA A 81 13.711 -0.270 -0.497 1.00 0.57 C ATOM 1204 C ALA A 81 14.087 -1.490 0.349 1.00 0.62 C ATOM 1205 O ALA A 81 15.077 -1.468 1.048 1.00 0.80 O ATOM 1206 CB ALA A 81 12.663 0.576 0.207 1.00 0.59 C ATOM 0 H ALA A 81 12.235 -0.557 -1.939 1.00 0.47 H new ATOM 0 HA ALA A 81 14.611 0.331 -0.626 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.031 0.866 1.191 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.461 1.470 -0.383 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.745 -0.000 0.318 1.00 0.59 H new ATOM 1212 N LEU A 82 13.305 -2.557 0.253 1.00 0.54 N ATOM 1213 CA LEU A 82 13.562 -3.785 1.013 1.00 0.61 C ATOM 1214 C LEU A 82 14.861 -4.440 0.614 1.00 0.74 C ATOM 1215 O LEU A 82 15.537 -5.047 1.448 1.00 0.89 O ATOM 1216 CB LEU A 82 12.420 -4.796 0.877 1.00 0.54 C ATOM 1217 CG LEU A 82 11.084 -4.394 1.485 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.078 -5.517 1.321 1.00 0.63 C ATOM 1219 CD2 LEU A 82 11.252 -4.035 2.952 1.00 0.68 C ATOM 0 H LEU A 82 12.481 -2.602 -0.346 1.00 0.54 H new ATOM 0 HA LEU A 82 13.634 -3.477 2.056 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.266 -4.997 -0.183 1.00 0.54 H new ATOM 0 HB3 LEU A 82 12.736 -5.733 1.336 1.00 0.54 H new ATOM 0 HG LEU A 82 10.712 -3.514 0.961 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.126 -5.219 1.759 1.00 0.63 H new ATOM 0 HD12 LEU A 82 9.939 -5.729 0.261 1.00 0.63 H new ATOM 0 HD13 LEU A 82 10.445 -6.411 1.825 1.00 0.63 H new ATOM 0 HD21 LEU A 82 10.286 -3.750 3.370 1.00 0.68 H new ATOM 0 HD22 LEU A 82 11.643 -4.896 3.495 1.00 0.68 H new ATOM 0 HD23 LEU A 82 11.948 -3.201 3.045 1.00 0.68 H new