USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 -172:sc= 0.974 USER MOD Set 1.2: A 48 THR OG1 : rot 178:sc= 0.914 USER MOD Single : A 6 THR OG1 : rot 7:sc= 1.23 USER MOD Single : A 7 THR OG1 : rot 103:sc= 0.107 USER MOD Single : A 27 SER OG : rot 123:sc= 1.25 USER MOD Single : A 40 TYR OH : rot 69:sc= 0.774 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.167 (180deg=-0.8) USER MOD Single : A 54 SER OG : rot 73:sc= 0.708 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0454 USER MOD Single : A 70 THR OG1 : rot -58:sc= 0.511 USER MOD Single : A 79 ASN : amide:sc= 0.0148 X(o=0.015,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 14.314 -4.481 1.968 1.00 0.80 N ATOM 45 CA LEU A 4 13.326 -4.232 0.954 1.00 0.65 C ATOM 46 C LEU A 4 11.962 -4.783 1.370 1.00 0.68 C ATOM 47 O LEU A 4 11.804 -5.972 1.645 1.00 0.86 O ATOM 48 CB LEU A 4 13.772 -4.782 -0.405 1.00 0.70 C ATOM 49 CG LEU A 4 12.946 -4.319 -1.605 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.064 -2.808 -1.784 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.376 -5.040 -2.871 1.00 1.01 C ATOM 0 HA LEU A 4 13.222 -3.153 0.844 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.811 -4.497 -0.570 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.743 -5.871 -0.364 1.00 0.70 H new ATOM 0 HG LEU A 4 11.902 -4.565 -1.413 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.470 -2.496 -2.643 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.699 -2.306 -0.888 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.108 -2.542 -1.949 1.00 0.70 H new ATOM 0 HD21 LEU A 4 12.773 -4.693 -3.710 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.427 -4.832 -3.069 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.236 -6.113 -2.744 1.00 1.01 H new ATOM 63 N LEU A 5 11.021 -3.878 1.464 1.00 0.60 N ATOM 64 CA LEU A 5 9.652 -4.147 1.864 1.00 0.64 C ATOM 65 C LEU A 5 8.991 -5.089 0.826 1.00 0.59 C ATOM 66 O LEU A 5 8.878 -4.734 -0.348 1.00 0.61 O ATOM 67 CB LEU A 5 8.932 -2.770 1.913 1.00 0.69 C ATOM 68 CG LEU A 5 7.695 -2.603 2.812 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.534 -3.458 2.375 1.00 1.61 C ATOM 70 CD2 LEU A 5 8.056 -2.884 4.253 1.00 1.54 C ATOM 0 H LEU A 5 11.188 -2.893 1.257 1.00 0.60 H new ATOM 0 HA LEU A 5 9.595 -4.639 2.835 1.00 0.64 H new ATOM 0 HB2 LEU A 5 9.666 -2.026 2.223 1.00 0.69 H new ATOM 0 HB3 LEU A 5 8.634 -2.519 0.895 1.00 0.69 H new ATOM 0 HG LEU A 5 7.368 -1.568 2.718 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.691 -3.298 3.047 1.00 1.61 H new ATOM 0 HD12 LEU A 5 6.245 -3.188 1.359 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.825 -4.508 2.402 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.173 -2.763 4.880 1.00 1.54 H new ATOM 0 HD22 LEU A 5 8.427 -3.905 4.343 1.00 1.54 H new ATOM 0 HD23 LEU A 5 8.829 -2.187 4.577 1.00 1.54 H new ATOM 82 N THR A 6 8.601 -6.276 1.243 1.00 0.61 N ATOM 83 CA THR A 6 7.971 -7.215 0.348 1.00 0.63 C ATOM 84 C THR A 6 6.519 -7.502 0.747 1.00 0.57 C ATOM 85 O THR A 6 5.977 -6.825 1.617 1.00 0.59 O ATOM 86 CB THR A 6 8.787 -8.529 0.141 1.00 0.79 C ATOM 87 OG1 THR A 6 9.070 -9.163 1.388 1.00 0.95 O ATOM 88 CG2 THR A 6 10.091 -8.253 -0.600 1.00 0.97 C ATOM 0 H THR A 6 8.711 -6.611 2.200 1.00 0.61 H new ATOM 0 HA THR A 6 7.955 -6.723 -0.625 1.00 0.63 H new ATOM 0 HB THR A 6 8.173 -9.199 -0.461 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.597 -8.695 2.108 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.640 -9.186 -0.731 1.00 0.97 H new ATOM 0 HG22 THR A 6 9.870 -7.822 -1.577 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.696 -7.554 -0.023 1.00 0.97 H new ATOM 96 N THR A 7 5.915 -8.483 0.102 1.00 0.60 N ATOM 97 CA THR A 7 4.521 -8.866 0.272 1.00 0.59 C ATOM 98 C THR A 7 4.141 -9.086 1.773 1.00 0.53 C ATOM 99 O THR A 7 3.180 -8.480 2.264 1.00 0.56 O ATOM 100 CB THR A 7 4.312 -10.152 -0.527 1.00 0.69 C ATOM 101 OG1 THR A 7 5.052 -10.028 -1.767 1.00 0.90 O ATOM 102 CG2 THR A 7 2.843 -10.338 -0.852 1.00 0.81 C ATOM 0 H THR A 7 6.401 -9.060 -0.584 1.00 0.60 H new ATOM 0 HA THR A 7 3.876 -8.063 -0.085 1.00 0.59 H new ATOM 0 HB THR A 7 4.654 -11.008 0.055 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.879 -10.551 -1.708 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.710 -11.258 -1.421 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.270 -10.398 0.074 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.491 -9.492 -1.442 1.00 0.81 H new ATOM 110 N ASP A 8 4.885 -9.960 2.476 1.00 0.54 N ATOM 111 CA ASP A 8 4.644 -10.234 3.926 1.00 0.54 C ATOM 112 C ASP A 8 4.669 -8.946 4.722 1.00 0.52 C ATOM 113 O ASP A 8 3.749 -8.656 5.504 1.00 0.54 O ATOM 114 CB ASP A 8 5.713 -11.175 4.541 1.00 0.63 C ATOM 115 CG ASP A 8 5.640 -12.620 4.106 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.905 -13.414 4.739 1.00 1.98 O ATOM 117 OD2 ASP A 8 6.364 -13.014 3.165 1.00 2.26 O ATOM 0 H ASP A 8 5.658 -10.492 2.076 1.00 0.54 H new ATOM 0 HA ASP A 8 3.667 -10.715 3.980 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.700 -10.788 4.288 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.624 -11.136 5.627 1.00 0.63 H new ATOM 122 N ASP A 9 5.718 -8.169 4.484 1.00 0.57 N ATOM 123 CA ASP A 9 5.960 -6.906 5.175 1.00 0.64 C ATOM 124 C ASP A 9 4.789 -5.962 4.930 1.00 0.59 C ATOM 125 O ASP A 9 4.259 -5.337 5.867 1.00 0.63 O ATOM 126 CB ASP A 9 7.228 -6.221 4.637 1.00 0.79 C ATOM 127 CG ASP A 9 8.473 -7.087 4.587 1.00 1.60 C ATOM 128 OD1 ASP A 9 8.642 -7.833 3.585 1.00 2.47 O ATOM 129 OD2 ASP A 9 9.310 -7.005 5.492 1.00 1.70 O ATOM 0 H ASP A 9 6.435 -8.400 3.797 1.00 0.57 H new ATOM 0 HA ASP A 9 6.079 -7.121 6.237 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.022 -5.855 3.631 1.00 0.79 H new ATOM 0 HB3 ASP A 9 7.439 -5.349 5.257 1.00 0.79 H new ATOM 134 N LEU A 10 4.390 -5.873 3.659 1.00 0.54 N ATOM 135 CA LEU A 10 3.298 -5.017 3.220 1.00 0.54 C ATOM 136 C LEU A 10 2.001 -5.415 3.882 1.00 0.53 C ATOM 137 O LEU A 10 1.268 -4.564 4.366 1.00 0.59 O ATOM 138 CB LEU A 10 3.120 -5.096 1.696 1.00 0.55 C ATOM 139 CG LEU A 10 2.008 -4.214 1.108 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.350 -2.736 1.241 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.721 -4.581 -0.340 1.00 0.65 C ATOM 0 H LEU A 10 4.824 -6.401 2.902 1.00 0.54 H new ATOM 0 HA LEU A 10 3.552 -3.996 3.505 1.00 0.54 H new ATOM 0 HB2 LEU A 10 4.063 -4.822 1.224 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.917 -6.132 1.426 1.00 0.55 H new ATOM 0 HG LEU A 10 1.101 -4.399 1.683 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.545 -2.137 0.816 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.473 -2.484 2.294 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.277 -2.528 0.708 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.930 -3.940 -0.728 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.624 -4.445 -0.936 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.404 -5.622 -0.395 1.00 0.65 H new ATOM 153 N ARG A 11 1.738 -6.718 3.923 1.00 0.49 N ATOM 154 CA ARG A 11 0.487 -7.251 4.455 1.00 0.50 C ATOM 155 C ARG A 11 0.246 -6.802 5.885 1.00 0.54 C ATOM 156 O ARG A 11 -0.867 -6.480 6.242 1.00 0.63 O ATOM 157 CB ARG A 11 0.418 -8.786 4.316 1.00 0.51 C ATOM 158 CG ARG A 11 -0.916 -9.384 4.751 1.00 0.61 C ATOM 159 CD ARG A 11 -1.128 -10.786 4.193 1.00 0.72 C ATOM 160 NE ARG A 11 -0.214 -11.801 4.717 1.00 0.96 N ATOM 161 CZ ARG A 11 0.322 -12.797 3.983 1.00 1.24 C ATOM 162 NH1 ARG A 11 0.195 -12.805 2.651 1.00 1.65 N ATOM 163 NH2 ARG A 11 0.961 -13.788 4.580 1.00 1.80 N ATOM 0 H ARG A 11 2.384 -7.433 3.589 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.321 -6.838 3.852 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.605 -9.056 3.277 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.216 -9.232 4.910 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.959 -9.418 5.840 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.728 -8.736 4.420 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -2.152 -11.095 4.405 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -1.024 -10.749 3.109 1.00 0.72 H new ATOM 0 HE ARG A 11 0.035 -11.752 5.705 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -0.311 -12.053 2.182 1.00 1.65 H new ATOM 0 HH12 ARG A 11 0.604 -13.563 2.104 1.00 1.65 H new ATOM 0 HH21 ARG A 11 1.049 -13.799 5.596 1.00 1.80 H new ATOM 0 HH22 ARG A 11 1.366 -14.541 4.025 1.00 1.80 H new ATOM 177 N ARG A 12 1.310 -6.709 6.665 1.00 0.54 N ATOM 178 CA ARG A 12 1.214 -6.267 8.056 1.00 0.60 C ATOM 179 C ARG A 12 0.619 -4.856 8.137 1.00 0.58 C ATOM 180 O ARG A 12 -0.343 -4.613 8.874 1.00 0.66 O ATOM 181 CB ARG A 12 2.592 -6.279 8.717 1.00 0.68 C ATOM 182 CG ARG A 12 3.251 -7.638 8.733 1.00 0.80 C ATOM 183 CD ARG A 12 4.643 -7.571 9.321 1.00 0.96 C ATOM 184 NE ARG A 12 5.285 -8.886 9.326 1.00 1.50 N ATOM 185 CZ ARG A 12 6.590 -9.114 9.559 1.00 2.02 C ATOM 186 NH1 ARG A 12 7.429 -8.096 9.798 1.00 2.23 N ATOM 187 NH2 ARG A 12 7.053 -10.359 9.546 1.00 2.93 N ATOM 0 H ARG A 12 2.257 -6.934 6.361 1.00 0.54 H new ATOM 0 HA ARG A 12 0.557 -6.959 8.584 1.00 0.60 H new ATOM 0 HB2 ARG A 12 3.241 -5.577 8.194 1.00 0.68 H new ATOM 0 HB3 ARG A 12 2.496 -5.921 9.742 1.00 0.68 H new ATOM 0 HG2 ARG A 12 2.643 -8.332 9.313 1.00 0.80 H new ATOM 0 HG3 ARG A 12 3.302 -8.031 7.718 1.00 0.80 H new ATOM 0 HD2 ARG A 12 5.249 -6.871 8.746 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.591 -7.186 10.339 1.00 0.96 H new ATOM 0 HE ARG A 12 4.695 -9.696 9.137 1.00 1.50 H new ATOM 0 HH11 ARG A 12 7.079 -7.138 9.804 1.00 2.23 H new ATOM 0 HH12 ARG A 12 8.417 -8.280 9.974 1.00 2.23 H new ATOM 0 HH21 ARG A 12 6.420 -11.137 9.360 1.00 2.93 H new ATOM 0 HH22 ARG A 12 8.042 -10.537 9.722 1.00 2.93 H new ATOM 201 N ALA A 13 1.157 -3.953 7.333 1.00 0.54 N ATOM 202 CA ALA A 13 0.722 -2.564 7.329 1.00 0.58 C ATOM 203 C ALA A 13 -0.607 -2.419 6.617 1.00 0.56 C ATOM 204 O ALA A 13 -1.451 -1.609 7.011 1.00 0.65 O ATOM 205 CB ALA A 13 1.766 -1.672 6.677 1.00 0.66 C ATOM 0 H ALA A 13 1.903 -4.159 6.668 1.00 0.54 H new ATOM 0 HA ALA A 13 0.597 -2.250 8.365 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.419 -0.639 6.686 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.703 -1.744 7.230 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.926 -1.992 5.647 1.00 0.66 H new ATOM 211 N LEU A 14 -0.796 -3.222 5.587 1.00 0.53 N ATOM 212 CA LEU A 14 -2.012 -3.205 4.809 1.00 0.59 C ATOM 213 C LEU A 14 -3.192 -3.761 5.627 1.00 0.75 C ATOM 214 O LEU A 14 -4.325 -3.568 5.283 1.00 1.02 O ATOM 215 CB LEU A 14 -1.812 -3.938 3.463 1.00 0.54 C ATOM 216 CG LEU A 14 -2.920 -3.765 2.407 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.155 -2.291 2.117 1.00 0.62 C ATOM 218 CD2 LEU A 14 -2.537 -4.480 1.121 1.00 1.06 C ATOM 0 H LEU A 14 -0.107 -3.904 5.269 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.262 -2.172 4.566 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -0.872 -3.599 3.028 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -1.702 -5.003 3.669 1.00 0.54 H new ATOM 0 HG LEU A 14 -3.838 -4.200 2.802 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -3.941 -2.188 1.369 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.457 -1.784 3.033 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.235 -1.843 1.741 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -3.328 -4.350 0.383 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -1.608 -4.061 0.735 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -2.400 -5.542 1.322 1.00 1.06 H new ATOM 230 N VAL A 15 -2.905 -4.497 6.686 1.00 0.71 N ATOM 231 CA VAL A 15 -3.952 -4.896 7.626 1.00 0.83 C ATOM 232 C VAL A 15 -4.245 -3.728 8.583 1.00 0.85 C ATOM 233 O VAL A 15 -5.403 -3.398 8.842 1.00 0.98 O ATOM 234 CB VAL A 15 -3.571 -6.179 8.438 1.00 0.89 C ATOM 235 CG1 VAL A 15 -4.596 -6.458 9.533 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.498 -7.381 7.516 1.00 0.91 C ATOM 0 H VAL A 15 -1.970 -4.830 6.920 1.00 0.71 H new ATOM 0 HA VAL A 15 -4.843 -5.142 7.049 1.00 0.83 H new ATOM 0 HB VAL A 15 -2.598 -6.004 8.897 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.307 -7.354 10.082 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -4.637 -5.611 10.218 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -5.577 -6.608 9.083 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.232 -8.267 8.093 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.467 -7.535 7.041 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -2.742 -7.207 6.750 1.00 0.91 H new ATOM 246 N GLU A 16 -3.178 -3.082 9.077 1.00 0.81 N ATOM 247 CA GLU A 16 -3.300 -1.947 10.009 1.00 0.87 C ATOM 248 C GLU A 16 -4.150 -0.823 9.433 1.00 0.89 C ATOM 249 O GLU A 16 -4.888 -0.156 10.165 1.00 1.05 O ATOM 250 CB GLU A 16 -1.943 -1.354 10.345 1.00 0.91 C ATOM 251 CG GLU A 16 -0.952 -2.310 10.945 1.00 1.00 C ATOM 252 CD GLU A 16 0.305 -1.605 11.392 1.00 1.30 C ATOM 253 OE1 GLU A 16 0.432 -0.380 11.155 1.00 1.90 O ATOM 254 OE2 GLU A 16 1.182 -2.254 12.009 1.00 1.91 O ATOM 0 H GLU A 16 -2.215 -3.327 8.846 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.773 -2.353 10.903 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.513 -0.935 9.435 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.089 -0.526 11.039 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.406 -2.818 11.796 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -0.698 -3.077 10.214 1.00 1.00 H new ATOM 261 N SER A 17 -4.022 -0.613 8.139 1.00 0.82 N ATOM 262 CA SER A 17 -4.706 0.459 7.443 1.00 0.93 C ATOM 263 C SER A 17 -6.223 0.212 7.358 1.00 1.03 C ATOM 264 O SER A 17 -6.996 1.145 7.106 1.00 1.22 O ATOM 265 CB SER A 17 -4.097 0.638 6.044 1.00 0.96 C ATOM 266 OG SER A 17 -4.657 1.741 5.358 1.00 1.58 O ATOM 0 H SER A 17 -3.434 -1.187 7.534 1.00 0.82 H new ATOM 0 HA SER A 17 -4.568 1.378 8.013 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.019 0.776 6.133 1.00 0.96 H new ATOM 0 HB3 SER A 17 -4.255 -0.269 5.461 1.00 0.96 H new ATOM 0 HG SER A 17 -4.337 1.747 4.432 1.00 1.58 H new ATOM 351 N ASP A 25 -9.247 -9.924 4.914 1.00 1.06 N ATOM 352 CA ASP A 25 -8.236 -10.873 5.313 1.00 1.14 C ATOM 353 C ASP A 25 -7.440 -11.205 4.082 1.00 0.91 C ATOM 354 O ASP A 25 -7.977 -11.739 3.112 1.00 1.11 O ATOM 355 CB ASP A 25 -8.846 -12.134 5.925 1.00 1.52 C ATOM 356 CG ASP A 25 -7.791 -13.128 6.348 1.00 1.99 C ATOM 357 OD1 ASP A 25 -7.201 -12.963 7.426 1.00 2.49 O ATOM 358 OD2 ASP A 25 -7.524 -14.080 5.619 1.00 2.41 O ATOM 0 HA ASP A 25 -7.601 -10.441 6.087 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.453 -11.860 6.788 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.514 -12.601 5.201 1.00 1.52 H new ATOM 363 N LEU A 26 -6.190 -10.871 4.115 1.00 0.84 N ATOM 364 CA LEU A 26 -5.321 -10.923 2.955 1.00 0.77 C ATOM 365 C LEU A 26 -4.535 -12.229 2.888 1.00 0.86 C ATOM 366 O LEU A 26 -3.376 -12.246 2.468 1.00 1.05 O ATOM 367 CB LEU A 26 -4.338 -9.733 3.011 1.00 0.94 C ATOM 368 CG LEU A 26 -4.866 -8.306 2.700 1.00 0.85 C ATOM 369 CD1 LEU A 26 -6.012 -7.869 3.606 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.735 -7.323 2.819 1.00 1.11 C ATOM 0 H LEU A 26 -5.723 -10.546 4.961 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.944 -10.867 2.062 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -3.903 -9.712 4.010 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -3.527 -9.943 2.314 1.00 0.94 H new ATOM 0 HG LEU A 26 -5.262 -8.331 1.685 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -6.330 -6.863 3.331 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -6.849 -8.558 3.492 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -5.678 -7.873 4.643 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -4.101 -6.319 2.602 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -3.333 -7.351 3.832 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -2.950 -7.584 2.110 1.00 1.11 H new ATOM 382 N SER A 27 -5.165 -13.313 3.233 1.00 0.96 N ATOM 383 CA SER A 27 -4.489 -14.588 3.215 1.00 1.13 C ATOM 384 C SER A 27 -4.595 -15.191 1.821 1.00 1.20 C ATOM 385 O SER A 27 -5.699 -15.362 1.282 1.00 1.66 O ATOM 386 CB SER A 27 -5.064 -15.523 4.276 1.00 1.36 C ATOM 387 OG SER A 27 -5.070 -14.884 5.553 1.00 1.89 O ATOM 0 H SER A 27 -6.140 -13.346 3.530 1.00 0.96 H new ATOM 0 HA SER A 27 -3.435 -14.444 3.455 1.00 1.13 H new ATOM 0 HB2 SER A 27 -6.079 -15.813 4.003 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.473 -16.437 4.323 1.00 1.36 H new ATOM 0 HG SER A 27 -5.983 -14.871 5.908 1.00 1.89 H new ATOM 393 N GLY A 28 -3.464 -15.469 1.238 1.00 1.48 N ATOM 394 CA GLY A 28 -3.419 -15.962 -0.104 1.00 1.67 C ATOM 395 C GLY A 28 -2.790 -14.922 -0.972 1.00 1.54 C ATOM 396 O GLY A 28 -1.805 -14.296 -0.560 1.00 2.30 O ATOM 0 H GLY A 28 -2.551 -15.360 1.680 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -2.846 -16.888 -0.148 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -4.424 -16.192 -0.457 1.00 1.67 H new ATOM 400 N ASP A 29 -3.338 -14.686 -2.128 1.00 1.09 N ATOM 401 CA ASP A 29 -2.794 -13.656 -2.975 1.00 1.07 C ATOM 402 C ASP A 29 -3.641 -12.430 -2.893 1.00 0.87 C ATOM 403 O ASP A 29 -4.817 -12.432 -3.275 1.00 1.13 O ATOM 404 CB ASP A 29 -2.622 -14.060 -4.441 1.00 1.48 C ATOM 405 CG ASP A 29 -1.906 -12.956 -5.230 1.00 2.24 C ATOM 406 OD1 ASP A 29 -2.559 -11.988 -5.673 1.00 2.97 O ATOM 407 OD2 ASP A 29 -0.660 -13.028 -5.374 1.00 2.56 O ATOM 0 H ASP A 29 -4.147 -15.180 -2.504 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.790 -13.466 -2.595 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -2.051 -14.986 -4.503 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -3.598 -14.257 -4.886 1.00 1.48 H new ATOM 412 N PHE A 30 -3.071 -11.416 -2.351 1.00 0.67 N ATOM 413 CA PHE A 30 -3.716 -10.136 -2.264 1.00 0.57 C ATOM 414 C PHE A 30 -2.910 -9.141 -3.075 1.00 0.49 C ATOM 415 O PHE A 30 -3.306 -8.004 -3.245 1.00 0.48 O ATOM 416 CB PHE A 30 -3.771 -9.665 -0.795 1.00 0.59 C ATOM 417 CG PHE A 30 -2.410 -9.353 -0.203 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.614 -10.356 0.324 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.930 -8.049 -0.194 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.373 -10.061 0.839 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.692 -7.755 0.318 1.00 0.65 C ATOM 422 CZ PHE A 30 0.088 -8.760 0.835 1.00 0.73 C ATOM 0 H PHE A 30 -2.134 -11.441 -1.948 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.734 -10.212 -2.647 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.398 -8.775 -0.731 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.251 -10.437 -0.193 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.970 -11.376 0.331 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.541 -7.255 -0.596 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.242 -10.849 1.247 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.332 -6.737 0.315 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.063 -8.532 1.239 1.00 0.73 H new ATOM 432 N LEU A 31 -1.791 -9.603 -3.598 1.00 0.54 N ATOM 433 CA LEU A 31 -0.825 -8.734 -4.225 1.00 0.60 C ATOM 434 C LEU A 31 -1.250 -8.383 -5.640 1.00 0.63 C ATOM 435 O LEU A 31 -1.012 -7.259 -6.108 1.00 0.72 O ATOM 436 CB LEU A 31 0.561 -9.400 -4.223 1.00 0.75 C ATOM 437 CG LEU A 31 1.748 -8.504 -4.595 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.931 -7.408 -3.555 1.00 0.75 C ATOM 439 CD2 LEU A 31 3.024 -9.323 -4.737 1.00 1.43 C ATOM 0 H LEU A 31 -1.530 -10.589 -3.598 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.770 -7.807 -3.654 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.741 -9.811 -3.230 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.537 -10.241 -4.916 1.00 0.75 H new ATOM 0 HG LEU A 31 1.535 -8.039 -5.558 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.778 -6.780 -3.833 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.028 -6.799 -3.506 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.118 -7.859 -2.580 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.851 -8.665 -5.001 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.244 -9.821 -3.793 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.891 -10.071 -5.519 1.00 1.43 H new ATOM 451 N ASP A 32 -1.889 -9.329 -6.312 1.00 0.66 N ATOM 452 CA ASP A 32 -2.347 -9.113 -7.678 1.00 0.83 C ATOM 453 C ASP A 32 -3.840 -8.795 -7.656 1.00 0.73 C ATOM 454 O ASP A 32 -4.482 -8.559 -8.682 1.00 0.96 O ATOM 455 CB ASP A 32 -2.075 -10.358 -8.514 1.00 1.10 C ATOM 456 CG ASP A 32 -2.120 -10.096 -9.995 1.00 1.70 C ATOM 457 OD1 ASP A 32 -1.123 -9.580 -10.527 1.00 2.33 O ATOM 458 OD2 ASP A 32 -3.104 -10.458 -10.662 1.00 2.26 O ATOM 0 H ASP A 32 -2.102 -10.253 -5.935 1.00 0.66 H new ATOM 0 HA ASP A 32 -1.810 -8.276 -8.124 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -1.096 -10.758 -8.251 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.809 -11.124 -8.264 1.00 1.10 H new ATOM 463 N LEU A 33 -4.374 -8.777 -6.457 1.00 0.50 N ATOM 464 CA LEU A 33 -5.759 -8.464 -6.216 1.00 0.50 C ATOM 465 C LEU A 33 -5.900 -6.934 -6.313 1.00 0.50 C ATOM 466 O LEU A 33 -4.906 -6.236 -6.390 1.00 0.78 O ATOM 467 CB LEU A 33 -6.147 -9.018 -4.825 1.00 0.49 C ATOM 468 CG LEU A 33 -7.627 -9.023 -4.429 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.454 -9.805 -5.446 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.785 -9.644 -3.040 1.00 0.70 C ATOM 0 H LEU A 33 -3.847 -8.983 -5.608 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.432 -8.919 -6.943 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.783 -10.044 -4.763 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.605 -8.442 -4.075 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.988 -7.995 -4.410 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.502 -9.797 -5.146 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.354 -9.344 -6.428 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.098 -10.834 -5.490 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.838 -9.647 -2.760 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.411 -10.668 -3.054 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.218 -9.061 -2.314 1.00 0.70 H new ATOM 482 N ARG A 34 -7.090 -6.409 -6.313 1.00 0.34 N ATOM 483 CA ARG A 34 -7.244 -4.976 -6.525 1.00 0.37 C ATOM 484 C ARG A 34 -7.662 -4.287 -5.244 1.00 0.35 C ATOM 485 O ARG A 34 -8.397 -4.877 -4.442 1.00 0.40 O ATOM 486 CB ARG A 34 -8.255 -4.705 -7.642 1.00 0.45 C ATOM 487 CG ARG A 34 -7.924 -5.428 -8.940 1.00 0.60 C ATOM 488 CD ARG A 34 -8.890 -5.066 -10.046 1.00 1.01 C ATOM 489 NE ARG A 34 -8.752 -3.665 -10.445 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.707 -2.917 -10.988 1.00 2.51 C ATOM 491 NH1 ARG A 34 -10.938 -3.388 -11.090 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.432 -1.694 -11.396 1.00 3.50 N ATOM 0 H ARG A 34 -7.958 -6.926 -6.173 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.280 -4.568 -6.829 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.247 -5.009 -7.307 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.298 -3.633 -7.832 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -6.909 -5.177 -9.247 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.949 -6.505 -8.773 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -8.714 -5.709 -10.908 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.911 -5.251 -9.713 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.845 -3.224 -10.293 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.155 -4.326 -10.752 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -11.671 -2.814 -11.507 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -8.487 -1.323 -11.295 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.164 -1.119 -11.813 1.00 3.50 H new ATOM 506 N PHE A 35 -7.214 -3.038 -5.055 1.00 0.36 N ATOM 507 CA PHE A 35 -7.539 -2.258 -3.849 1.00 0.39 C ATOM 508 C PHE A 35 -9.031 -2.136 -3.594 1.00 0.47 C ATOM 509 O PHE A 35 -9.458 -2.175 -2.444 1.00 0.54 O ATOM 510 CB PHE A 35 -6.881 -0.871 -3.830 1.00 0.41 C ATOM 511 CG PHE A 35 -5.426 -0.870 -3.449 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.052 -1.079 -2.128 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.439 -0.650 -4.389 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.727 -1.072 -1.756 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.108 -0.638 -4.021 1.00 0.47 C ATOM 516 CZ PHE A 35 -2.753 -0.849 -2.703 1.00 0.47 C ATOM 0 H PHE A 35 -6.623 -2.543 -5.724 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.112 -2.839 -3.031 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -6.984 -0.422 -4.818 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.426 -0.235 -3.132 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.813 -1.250 -1.381 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.710 -0.486 -5.421 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.452 -1.241 -0.725 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.344 -0.464 -4.764 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.712 -0.839 -2.416 1.00 0.47 H new ATOM 526 N GLU A 36 -9.826 -2.039 -4.649 1.00 0.57 N ATOM 527 CA GLU A 36 -11.268 -1.917 -4.483 1.00 0.76 C ATOM 528 C GLU A 36 -11.864 -3.161 -3.802 1.00 0.74 C ATOM 529 O GLU A 36 -12.752 -3.047 -2.976 1.00 0.87 O ATOM 530 CB GLU A 36 -11.989 -1.641 -5.818 1.00 0.97 C ATOM 531 CG GLU A 36 -11.806 -2.720 -6.876 1.00 1.31 C ATOM 532 CD GLU A 36 -12.753 -2.548 -8.041 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.417 -1.857 -9.001 1.00 1.81 O ATOM 534 OE2 GLU A 36 -13.859 -3.127 -8.007 1.00 2.06 O ATOM 0 H GLU A 36 -9.504 -2.042 -5.617 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.431 -1.056 -3.835 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -13.054 -1.521 -5.622 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -11.630 -0.693 -6.220 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -10.779 -2.699 -7.240 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -11.964 -3.699 -6.424 1.00 1.31 H new ATOM 541 N ASP A 37 -11.294 -4.328 -4.088 1.00 0.66 N ATOM 542 CA ASP A 37 -11.844 -5.593 -3.598 1.00 0.73 C ATOM 543 C ASP A 37 -11.419 -5.856 -2.162 1.00 0.73 C ATOM 544 O ASP A 37 -12.091 -6.561 -1.421 1.00 0.89 O ATOM 545 CB ASP A 37 -11.423 -6.758 -4.496 1.00 0.75 C ATOM 546 CG ASP A 37 -12.154 -8.048 -4.162 1.00 1.29 C ATOM 547 OD1 ASP A 37 -13.310 -8.240 -4.639 1.00 1.28 O ATOM 548 OD2 ASP A 37 -11.616 -8.878 -3.438 1.00 2.20 O ATOM 0 H ASP A 37 -10.452 -4.426 -4.656 1.00 0.66 H new ATOM 0 HA ASP A 37 -12.931 -5.511 -3.625 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.613 -6.496 -5.537 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -10.349 -6.918 -4.398 1.00 0.75 H new ATOM 553 N ILE A 38 -10.315 -5.263 -1.753 1.00 0.63 N ATOM 554 CA ILE A 38 -9.847 -5.436 -0.383 1.00 0.68 C ATOM 555 C ILE A 38 -10.373 -4.353 0.542 1.00 0.68 C ATOM 556 O ILE A 38 -9.963 -4.263 1.700 1.00 0.73 O ATOM 557 CB ILE A 38 -8.303 -5.570 -0.246 1.00 0.68 C ATOM 558 CG1 ILE A 38 -7.575 -4.405 -0.938 1.00 0.55 C ATOM 559 CG2 ILE A 38 -7.831 -6.911 -0.775 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.063 -4.446 -0.808 1.00 0.64 C ATOM 0 H ILE A 38 -9.729 -4.665 -2.336 1.00 0.63 H new ATOM 0 HA ILE A 38 -10.264 -6.394 -0.072 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.054 -5.522 0.814 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -7.837 -4.406 -1.996 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -7.938 -3.466 -0.520 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -6.749 -6.983 -0.669 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -8.305 -7.713 -0.209 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.100 -7.002 -1.827 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.630 -3.589 -1.324 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -5.787 -4.412 0.246 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -5.684 -5.366 -1.253 1.00 0.64 H new ATOM 572 N GLY A 39 -11.337 -3.600 0.051 1.00 0.69 N ATOM 573 CA GLY A 39 -11.949 -2.571 0.837 1.00 0.77 C ATOM 574 C GLY A 39 -11.110 -1.320 0.956 1.00 0.65 C ATOM 575 O GLY A 39 -11.140 -0.652 1.989 1.00 0.74 O ATOM 0 H GLY A 39 -11.708 -3.690 -0.895 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -12.911 -2.312 0.395 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -12.150 -2.959 1.835 1.00 0.77 H new ATOM 579 N TYR A 40 -10.345 -0.993 -0.058 1.00 0.52 N ATOM 580 CA TYR A 40 -9.597 0.225 0.006 1.00 0.47 C ATOM 581 C TYR A 40 -10.226 1.342 -0.738 1.00 0.49 C ATOM 582 O TYR A 40 -10.372 1.317 -1.960 1.00 0.61 O ATOM 583 CB TYR A 40 -8.077 0.078 -0.211 1.00 0.46 C ATOM 584 CG TYR A 40 -7.441 -0.448 1.040 1.00 0.50 C ATOM 585 CD1 TYR A 40 -7.559 -1.776 1.420 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.810 0.415 1.888 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.041 -2.212 2.619 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.317 0.005 3.081 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.425 -1.302 3.448 1.00 0.81 C ATOM 590 OH TYR A 40 -5.956 -1.681 4.666 1.00 1.02 O ATOM 0 H TYR A 40 -10.229 -1.540 -0.911 1.00 0.52 H new ATOM 0 HA TYR A 40 -9.655 0.519 1.054 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -7.882 -0.599 -1.043 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.642 1.042 -0.475 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.062 -2.476 0.769 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.701 1.450 1.601 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.117 -3.251 2.904 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.839 0.714 3.741 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.189 -2.280 4.549 1.00 1.02 H new ATOM 600 N ASP A 41 -10.636 2.304 0.049 1.00 0.48 N ATOM 601 CA ASP A 41 -11.278 3.512 -0.401 1.00 0.56 C ATOM 602 C ASP A 41 -10.184 4.508 -0.773 1.00 0.45 C ATOM 603 O ASP A 41 -8.986 4.206 -0.622 1.00 0.39 O ATOM 604 CB ASP A 41 -12.116 4.069 0.769 1.00 0.75 C ATOM 605 CG ASP A 41 -13.017 5.222 0.418 1.00 1.11 C ATOM 606 OD1 ASP A 41 -14.121 4.995 -0.092 1.00 1.20 O ATOM 607 OD2 ASP A 41 -12.630 6.388 0.668 1.00 2.01 O ATOM 0 H ASP A 41 -10.527 2.265 1.062 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.923 3.330 -1.261 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.726 3.262 1.175 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.439 4.386 1.562 1.00 0.75 H new ATOM 612 N SER A 42 -10.577 5.688 -1.172 1.00 0.57 N ATOM 613 CA SER A 42 -9.660 6.708 -1.587 1.00 0.62 C ATOM 614 C SER A 42 -8.863 7.156 -0.356 1.00 0.53 C ATOM 615 O SER A 42 -7.635 7.279 -0.399 1.00 0.54 O ATOM 616 CB SER A 42 -10.449 7.867 -2.218 1.00 0.83 C ATOM 617 OG SER A 42 -9.554 8.827 -2.852 1.00 1.24 O ATOM 0 H SER A 42 -11.557 5.969 -1.217 1.00 0.57 H new ATOM 0 HA SER A 42 -8.962 6.340 -2.339 1.00 0.62 H new ATOM 0 HB2 SER A 42 -11.149 7.475 -2.956 1.00 0.83 H new ATOM 0 HB3 SER A 42 -11.041 8.368 -1.452 1.00 0.83 H new ATOM 0 HG SER A 42 -10.080 9.553 -3.247 1.00 1.24 H new ATOM 622 N LEU A 43 -9.567 7.303 0.764 1.00 0.53 N ATOM 623 CA LEU A 43 -8.935 7.663 2.022 1.00 0.54 C ATOM 624 C LEU A 43 -8.060 6.547 2.533 1.00 0.45 C ATOM 625 O LEU A 43 -6.919 6.778 2.920 1.00 0.47 O ATOM 626 CB LEU A 43 -9.966 8.045 3.083 1.00 0.68 C ATOM 627 CG LEU A 43 -10.600 9.418 2.932 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.670 9.622 3.993 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.522 10.478 3.068 1.00 0.90 C ATOM 0 H LEU A 43 -10.578 7.177 0.822 1.00 0.53 H new ATOM 0 HA LEU A 43 -8.310 8.534 1.824 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.759 7.298 3.076 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.488 7.993 4.061 1.00 0.68 H new ATOM 0 HG LEU A 43 -11.069 9.496 1.951 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.117 10.609 3.874 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.441 8.859 3.884 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.220 9.544 4.983 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.968 11.467 2.961 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.053 10.396 4.048 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.770 10.334 2.292 1.00 0.90 H new ATOM 641 N ALA A 44 -8.578 5.331 2.479 1.00 0.44 N ATOM 642 CA ALA A 44 -7.872 4.163 2.966 1.00 0.41 C ATOM 643 C ALA A 44 -6.553 3.928 2.223 1.00 0.35 C ATOM 644 O ALA A 44 -5.599 3.450 2.807 1.00 0.38 O ATOM 645 CB ALA A 44 -8.759 2.939 2.919 1.00 0.43 C ATOM 0 H ALA A 44 -9.501 5.128 2.095 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.612 4.354 4.007 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.207 2.075 3.289 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.638 3.102 3.542 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -9.072 2.756 1.891 1.00 0.43 H new ATOM 651 N LEU A 45 -6.502 4.290 0.946 1.00 0.34 N ATOM 652 CA LEU A 45 -5.262 4.187 0.171 1.00 0.33 C ATOM 653 C LEU A 45 -4.199 5.104 0.834 1.00 0.32 C ATOM 654 O LEU A 45 -3.061 4.685 1.094 1.00 0.36 O ATOM 655 CB LEU A 45 -5.524 4.643 -1.309 1.00 0.48 C ATOM 656 CG LEU A 45 -4.436 4.363 -2.412 1.00 0.50 C ATOM 657 CD1 LEU A 45 -3.061 4.785 -2.014 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.398 2.935 -2.852 1.00 0.37 C ATOM 0 H LEU A 45 -7.298 4.656 0.424 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.907 3.157 0.156 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.450 4.171 -1.637 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.703 5.718 -1.292 1.00 0.48 H new ATOM 0 HG LEU A 45 -4.755 4.980 -3.252 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.364 4.562 -2.822 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -3.053 5.856 -1.813 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.760 4.245 -1.116 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.628 2.809 -3.613 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.172 2.297 -1.998 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.367 2.656 -3.267 1.00 0.37 H new ATOM 670 N MET A 46 -4.601 6.338 1.130 1.00 0.37 N ATOM 671 CA MET A 46 -3.696 7.360 1.702 1.00 0.46 C ATOM 672 C MET A 46 -3.242 6.905 3.045 1.00 0.48 C ATOM 673 O MET A 46 -2.088 7.028 3.396 1.00 0.54 O ATOM 674 CB MET A 46 -4.421 8.680 1.877 1.00 0.59 C ATOM 675 CG MET A 46 -5.290 9.018 0.726 1.00 0.54 C ATOM 676 SD MET A 46 -6.005 10.670 0.834 1.00 0.89 S ATOM 677 CE MET A 46 -4.524 11.683 0.744 1.00 1.84 C ATOM 0 H MET A 46 -5.556 6.667 0.985 1.00 0.37 H new ATOM 0 HA MET A 46 -2.853 7.495 1.024 1.00 0.46 H new ATOM 0 HB2 MET A 46 -5.026 8.639 2.783 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.689 9.475 2.019 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.710 8.940 -0.194 1.00 0.54 H new ATOM 0 HG3 MET A 46 -6.094 8.285 0.659 1.00 0.54 H new ATOM 0 HE1 MET A 46 -4.784 12.675 0.376 1.00 1.84 H new ATOM 0 HE2 MET A 46 -4.081 11.769 1.736 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.807 11.220 0.065 1.00 1.84 H new ATOM 687 N GLU A 47 -4.188 6.391 3.770 1.00 0.49 N ATOM 688 CA GLU A 47 -4.016 5.779 5.059 1.00 0.55 C ATOM 689 C GLU A 47 -2.879 4.725 5.029 1.00 0.54 C ATOM 690 O GLU A 47 -1.967 4.755 5.868 1.00 0.71 O ATOM 691 CB GLU A 47 -5.357 5.165 5.393 1.00 0.58 C ATOM 692 CG GLU A 47 -6.346 6.114 6.040 1.00 0.82 C ATOM 693 CD GLU A 47 -5.952 6.460 7.440 1.00 1.48 C ATOM 694 OE1 GLU A 47 -6.285 5.697 8.382 1.00 1.84 O ATOM 695 OE2 GLU A 47 -5.289 7.492 7.643 1.00 2.31 O ATOM 0 H GLU A 47 -5.160 6.386 3.462 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.717 6.501 5.819 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.799 4.771 4.478 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -5.197 4.318 6.060 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -6.416 7.026 5.447 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -7.337 5.659 6.043 1.00 0.82 H new ATOM 702 N THR A 48 -2.931 3.837 4.048 1.00 0.42 N ATOM 703 CA THR A 48 -1.903 2.834 3.835 1.00 0.42 C ATOM 704 C THR A 48 -0.557 3.519 3.528 1.00 0.39 C ATOM 705 O THR A 48 0.437 3.328 4.252 1.00 0.41 O ATOM 706 CB THR A 48 -2.296 1.958 2.625 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.574 1.374 2.844 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.275 0.854 2.375 1.00 0.45 C ATOM 0 H THR A 48 -3.694 3.793 3.373 1.00 0.42 H new ATOM 0 HA THR A 48 -1.807 2.224 4.733 1.00 0.42 H new ATOM 0 HB THR A 48 -2.325 2.603 1.747 1.00 0.41 H new ATOM 0 HG1 THR A 48 -3.832 0.847 2.059 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.586 0.259 1.516 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.300 1.299 2.175 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.208 0.214 3.255 1.00 0.45 H new ATOM 716 N ALA A 49 -0.548 4.311 2.458 1.00 0.39 N ATOM 717 CA ALA A 49 0.649 4.980 1.968 1.00 0.40 C ATOM 718 C ALA A 49 1.327 5.818 3.045 1.00 0.42 C ATOM 719 O ALA A 49 2.526 5.700 3.243 1.00 0.41 O ATOM 720 CB ALA A 49 0.323 5.832 0.749 1.00 0.43 C ATOM 0 H ALA A 49 -1.381 4.507 1.903 1.00 0.39 H new ATOM 0 HA ALA A 49 1.356 4.203 1.678 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.229 6.324 0.396 1.00 0.43 H new ATOM 0 HB2 ALA A 49 -0.076 5.197 -0.042 1.00 0.43 H new ATOM 0 HB3 ALA A 49 -0.418 6.585 1.019 1.00 0.43 H new ATOM 726 N ALA A 50 0.545 6.608 3.770 1.00 0.46 N ATOM 727 CA ALA A 50 1.066 7.497 4.798 1.00 0.51 C ATOM 728 C ALA A 50 1.758 6.721 5.907 1.00 0.49 C ATOM 729 O ALA A 50 2.810 7.134 6.394 1.00 0.49 O ATOM 730 CB ALA A 50 -0.038 8.366 5.368 1.00 0.62 C ATOM 0 H ALA A 50 -0.468 6.650 3.661 1.00 0.46 H new ATOM 0 HA ALA A 50 1.808 8.142 4.328 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.375 9.022 6.134 1.00 0.62 H new ATOM 0 HB2 ALA A 50 -0.475 8.968 4.571 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.808 7.733 5.809 1.00 0.62 H new ATOM 736 N ARG A 51 1.186 5.572 6.284 1.00 0.51 N ATOM 737 CA ARG A 51 1.787 4.731 7.314 1.00 0.54 C ATOM 738 C ARG A 51 3.153 4.266 6.846 1.00 0.50 C ATOM 739 O ARG A 51 4.136 4.365 7.576 1.00 0.61 O ATOM 740 CB ARG A 51 0.914 3.499 7.650 1.00 0.62 C ATOM 741 CG ARG A 51 1.518 2.572 8.716 1.00 0.87 C ATOM 742 CD ARG A 51 0.923 2.782 10.107 1.00 1.36 C ATOM 743 NE ARG A 51 -0.439 2.235 10.215 1.00 2.18 N ATOM 744 CZ ARG A 51 -1.585 2.952 10.155 1.00 3.05 C ATOM 745 NH1 ARG A 51 -1.546 4.276 10.029 1.00 3.48 N ATOM 746 NH2 ARG A 51 -2.761 2.335 10.259 1.00 3.91 N ATOM 0 H ARG A 51 0.316 5.210 5.893 1.00 0.51 H new ATOM 0 HA ARG A 51 1.873 5.330 8.221 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.062 3.842 7.993 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.748 2.926 6.738 1.00 0.62 H new ATOM 0 HG2 ARG A 51 1.364 1.536 8.415 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.595 2.735 8.761 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.564 2.308 10.850 1.00 1.36 H new ATOM 0 HD3 ARG A 51 0.904 3.848 10.336 1.00 1.36 H new ATOM 0 HE ARG A 51 -0.527 1.227 10.347 1.00 2.18 H new ATOM 0 HH11 ARG A 51 -0.648 4.757 9.977 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -2.414 4.810 9.984 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -2.797 1.323 10.384 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -3.626 2.874 10.214 1.00 3.91 H new ATOM 760 N LEU A 52 3.207 3.805 5.615 1.00 0.41 N ATOM 761 CA LEU A 52 4.431 3.309 5.023 1.00 0.39 C ATOM 762 C LEU A 52 5.469 4.420 4.911 1.00 0.36 C ATOM 763 O LEU A 52 6.656 4.204 5.203 1.00 0.38 O ATOM 764 CB LEU A 52 4.137 2.693 3.656 1.00 0.36 C ATOM 765 CG LEU A 52 3.181 1.491 3.662 1.00 0.39 C ATOM 766 CD1 LEU A 52 2.872 1.049 2.251 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.778 0.339 4.447 1.00 0.48 C ATOM 0 H LEU A 52 2.399 3.763 4.994 1.00 0.41 H new ATOM 0 HA LEU A 52 4.845 2.535 5.670 1.00 0.39 H new ATOM 0 HB2 LEU A 52 3.717 3.466 3.012 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.080 2.382 3.207 1.00 0.36 H new ATOM 0 HG LEU A 52 2.253 1.799 4.143 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.193 0.196 2.277 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.403 1.869 1.707 1.00 0.41 H new ATOM 0 HD13 LEU A 52 3.796 0.762 1.749 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.086 -0.503 4.440 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.721 0.038 3.991 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.957 0.653 5.475 1.00 0.48 H new ATOM 779 N GLU A 53 5.019 5.608 4.532 1.00 0.35 N ATOM 780 CA GLU A 53 5.894 6.756 4.407 1.00 0.37 C ATOM 781 C GLU A 53 6.491 7.163 5.752 1.00 0.41 C ATOM 782 O GLU A 53 7.671 7.494 5.823 1.00 0.45 O ATOM 783 CB GLU A 53 5.191 7.946 3.761 1.00 0.40 C ATOM 784 CG GLU A 53 4.741 7.713 2.331 1.00 0.44 C ATOM 785 CD GLU A 53 4.125 8.945 1.725 1.00 0.56 C ATOM 786 OE1 GLU A 53 2.929 9.214 1.963 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.839 9.692 1.031 1.00 0.65 O ATOM 0 H GLU A 53 4.043 5.799 4.305 1.00 0.35 H new ATOM 0 HA GLU A 53 6.708 6.449 3.750 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.321 8.209 4.364 1.00 0.40 H new ATOM 0 HB3 GLU A 53 5.864 8.804 3.781 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.594 7.401 1.729 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.018 6.897 2.307 1.00 0.44 H new ATOM 794 N SER A 54 5.696 7.121 6.809 1.00 0.45 N ATOM 795 CA SER A 54 6.184 7.494 8.125 1.00 0.54 C ATOM 796 C SER A 54 7.081 6.382 8.711 1.00 0.52 C ATOM 797 O SER A 54 8.203 6.630 9.151 1.00 0.62 O ATOM 798 CB SER A 54 4.992 7.742 9.062 1.00 0.69 C ATOM 799 OG SER A 54 4.071 8.672 8.507 1.00 1.38 O ATOM 0 H SER A 54 4.717 6.835 6.782 1.00 0.45 H new ATOM 0 HA SER A 54 6.777 8.404 8.032 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.482 6.799 9.260 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.354 8.116 10.020 1.00 0.69 H new ATOM 0 HG SER A 54 3.572 8.244 7.780 1.00 1.38 H new ATOM 805 N ARG A 55 6.580 5.163 8.654 1.00 0.53 N ATOM 806 CA ARG A 55 7.213 3.996 9.267 1.00 0.62 C ATOM 807 C ARG A 55 8.508 3.561 8.551 1.00 0.57 C ATOM 808 O ARG A 55 9.474 3.174 9.202 1.00 0.68 O ATOM 809 CB ARG A 55 6.167 2.868 9.324 1.00 0.78 C ATOM 810 CG ARG A 55 6.599 1.519 9.883 1.00 0.95 C ATOM 811 CD ARG A 55 5.376 0.607 9.973 1.00 1.19 C ATOM 812 NE ARG A 55 5.681 -0.785 10.340 1.00 1.42 N ATOM 813 CZ ARG A 55 4.777 -1.651 10.846 1.00 1.79 C ATOM 814 NH1 ARG A 55 3.564 -1.217 11.204 1.00 1.97 N ATOM 815 NH2 ARG A 55 5.095 -2.937 11.008 1.00 2.41 N ATOM 0 H ARG A 55 5.707 4.945 8.174 1.00 0.53 H new ATOM 0 HA ARG A 55 7.538 4.254 10.275 1.00 0.62 H new ATOM 0 HB2 ARG A 55 5.326 3.222 9.920 1.00 0.78 H new ATOM 0 HB3 ARG A 55 5.795 2.706 8.312 1.00 0.78 H new ATOM 0 HG2 ARG A 55 7.358 1.070 9.242 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.049 1.645 10.868 1.00 0.95 H new ATOM 0 HD2 ARG A 55 4.683 1.020 10.706 1.00 1.19 H new ATOM 0 HD3 ARG A 55 4.863 0.612 9.012 1.00 1.19 H new ATOM 0 HE ARG A 55 6.636 -1.117 10.203 1.00 1.42 H new ATOM 0 HH11 ARG A 55 3.322 -0.232 11.095 1.00 1.97 H new ATOM 0 HH12 ARG A 55 2.881 -1.871 11.586 1.00 1.97 H new ATOM 0 HH21 ARG A 55 6.024 -3.269 10.749 1.00 2.41 H new ATOM 0 HH22 ARG A 55 4.409 -3.588 11.391 1.00 2.41 H new ATOM 829 N TYR A 56 8.548 3.641 7.232 1.00 0.49 N ATOM 830 CA TYR A 56 9.733 3.179 6.515 1.00 0.54 C ATOM 831 C TYR A 56 10.550 4.318 5.918 1.00 0.53 C ATOM 832 O TYR A 56 11.598 4.095 5.320 1.00 0.71 O ATOM 833 CB TYR A 56 9.367 2.115 5.475 1.00 0.57 C ATOM 834 CG TYR A 56 8.687 0.923 6.106 1.00 0.68 C ATOM 835 CD1 TYR A 56 9.406 0.028 6.887 1.00 0.94 C ATOM 836 CD2 TYR A 56 7.326 0.709 5.951 1.00 0.66 C ATOM 837 CE1 TYR A 56 8.788 -1.043 7.498 1.00 1.09 C ATOM 838 CE2 TYR A 56 6.701 -0.364 6.553 1.00 0.82 C ATOM 839 CZ TYR A 56 7.437 -1.234 7.327 1.00 1.02 C ATOM 840 OH TYR A 56 6.816 -2.294 7.940 1.00 1.20 O ATOM 0 H TYR A 56 7.799 4.010 6.646 1.00 0.49 H new ATOM 0 HA TYR A 56 10.386 2.710 7.251 1.00 0.54 H new ATOM 0 HB2 TYR A 56 8.710 2.552 4.724 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.269 1.787 4.958 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.468 0.173 7.018 1.00 0.94 H new ATOM 0 HD2 TYR A 56 6.746 1.393 5.350 1.00 0.66 H new ATOM 0 HE1 TYR A 56 9.361 -1.727 8.106 1.00 1.09 H new ATOM 0 HE2 TYR A 56 5.641 -0.521 6.418 1.00 0.82 H new ATOM 0 HH TYR A 56 5.861 -2.286 7.719 1.00 1.20 H new ATOM 850 N GLY A 57 10.076 5.534 6.111 1.00 0.44 N ATOM 851 CA GLY A 57 10.808 6.710 5.665 1.00 0.45 C ATOM 852 C GLY A 57 10.886 6.846 4.158 1.00 0.45 C ATOM 853 O GLY A 57 11.956 7.094 3.607 1.00 0.60 O ATOM 0 H GLY A 57 9.189 5.736 6.573 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.333 7.600 6.077 1.00 0.45 H new ATOM 0 HA3 GLY A 57 11.819 6.672 6.070 1.00 0.45 H new ATOM 857 N VAL A 58 9.766 6.687 3.492 1.00 0.37 N ATOM 858 CA VAL A 58 9.727 6.818 2.049 1.00 0.39 C ATOM 859 C VAL A 58 8.948 8.067 1.639 1.00 0.40 C ATOM 860 O VAL A 58 8.580 8.886 2.503 1.00 0.42 O ATOM 861 CB VAL A 58 9.147 5.554 1.337 1.00 0.41 C ATOM 862 CG1 VAL A 58 9.998 4.338 1.641 1.00 0.49 C ATOM 863 CG2 VAL A 58 7.710 5.297 1.751 1.00 0.38 C ATOM 0 H VAL A 58 8.868 6.467 3.924 1.00 0.37 H new ATOM 0 HA VAL A 58 10.761 6.917 1.720 1.00 0.39 H new ATOM 0 HB VAL A 58 9.163 5.742 0.264 1.00 0.41 H new ATOM 0 HG11 VAL A 58 9.580 3.466 1.137 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.015 4.508 1.288 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.012 4.163 2.717 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.336 4.411 1.238 1.00 0.38 H new ATOM 0 HG22 VAL A 58 7.665 5.139 2.828 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.095 6.157 1.485 1.00 0.38 H new ATOM 873 N SER A 59 8.711 8.234 0.362 1.00 0.46 N ATOM 874 CA SER A 59 7.953 9.357 -0.140 1.00 0.56 C ATOM 875 C SER A 59 7.182 8.939 -1.401 1.00 0.54 C ATOM 876 O SER A 59 7.788 8.510 -2.389 1.00 0.61 O ATOM 877 CB SER A 59 8.909 10.521 -0.464 1.00 0.79 C ATOM 878 OG SER A 59 9.733 10.836 0.665 1.00 1.33 O ATOM 0 H SER A 59 9.038 7.594 -0.362 1.00 0.46 H new ATOM 0 HA SER A 59 7.240 9.683 0.618 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.537 10.255 -1.314 1.00 0.79 H new ATOM 0 HB3 SER A 59 8.333 11.399 -0.755 1.00 0.79 H new ATOM 0 HG SER A 59 10.333 11.576 0.436 1.00 1.33 H new ATOM 884 N ILE A 60 5.872 9.014 -1.348 1.00 0.48 N ATOM 885 CA ILE A 60 5.031 8.706 -2.491 1.00 0.46 C ATOM 886 C ILE A 60 4.101 9.875 -2.769 1.00 0.50 C ATOM 887 O ILE A 60 3.387 10.332 -1.869 1.00 0.58 O ATOM 888 CB ILE A 60 4.175 7.409 -2.293 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.070 6.171 -2.174 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.165 7.224 -3.439 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.294 4.887 -1.982 1.00 1.13 C ATOM 0 H ILE A 60 5.355 9.290 -0.513 1.00 0.48 H new ATOM 0 HA ILE A 60 5.699 8.529 -3.334 1.00 0.46 H new ATOM 0 HB ILE A 60 3.619 7.527 -1.363 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.682 6.086 -3.072 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.752 6.304 -1.334 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.587 6.315 -3.271 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.492 8.081 -3.473 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.699 7.145 -4.386 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.988 4.050 -1.905 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.702 4.953 -1.069 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.631 4.732 -2.833 1.00 1.13 H new ATOM 903 N PRO A 61 4.124 10.396 -4.006 1.00 0.52 N ATOM 904 CA PRO A 61 3.217 11.457 -4.425 1.00 0.58 C ATOM 905 C PRO A 61 1.750 11.000 -4.340 1.00 0.52 C ATOM 906 O PRO A 61 1.402 9.883 -4.783 1.00 0.45 O ATOM 907 CB PRO A 61 3.609 11.715 -5.890 1.00 0.63 C ATOM 908 CG PRO A 61 4.982 11.158 -6.026 1.00 0.65 C ATOM 909 CD PRO A 61 5.052 10.005 -5.080 1.00 0.56 C ATOM 0 HA PRO A 61 3.296 12.343 -3.795 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.916 11.228 -6.576 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.591 12.780 -6.122 1.00 0.63 H new ATOM 0 HG2 PRO A 61 5.173 10.835 -7.050 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.734 11.909 -5.783 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.747 9.074 -5.557 1.00 0.56 H new ATOM 0 HD3 PRO A 61 6.064 9.854 -4.703 1.00 0.56 H new ATOM 917 N ASP A 62 0.901 11.869 -3.796 1.00 0.64 N ATOM 918 CA ASP A 62 -0.534 11.588 -3.596 1.00 0.72 C ATOM 919 C ASP A 62 -1.219 11.236 -4.914 1.00 0.61 C ATOM 920 O ASP A 62 -2.123 10.388 -4.952 1.00 0.65 O ATOM 921 CB ASP A 62 -1.259 12.778 -2.909 1.00 1.00 C ATOM 922 CG ASP A 62 -1.324 14.047 -3.755 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.311 14.804 -3.807 1.00 1.40 O ATOM 924 OD2 ASP A 62 -2.372 14.320 -4.359 1.00 1.97 O ATOM 0 H ASP A 62 1.183 12.796 -3.477 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.602 10.725 -2.934 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.274 12.472 -2.655 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -0.751 13.006 -1.972 1.00 1.00 H new ATOM 929 N ASP A 63 -0.748 11.855 -5.993 1.00 0.57 N ATOM 930 CA ASP A 63 -1.244 11.591 -7.345 1.00 0.62 C ATOM 931 C ASP A 63 -1.067 10.129 -7.707 1.00 0.52 C ATOM 932 O ASP A 63 -2.000 9.468 -8.129 1.00 0.65 O ATOM 933 CB ASP A 63 -0.503 12.472 -8.368 1.00 0.78 C ATOM 934 CG ASP A 63 -0.811 12.114 -9.816 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.840 12.540 -10.339 1.00 1.94 O ATOM 936 OD2 ASP A 63 0.004 11.413 -10.454 1.00 1.87 O ATOM 0 H ASP A 63 -0.009 12.557 -5.957 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.307 11.831 -7.368 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -0.768 13.515 -8.196 1.00 0.78 H new ATOM 0 HB3 ASP A 63 0.571 12.384 -8.201 1.00 0.78 H new ATOM 941 N VAL A 64 0.114 9.612 -7.445 1.00 0.42 N ATOM 942 CA VAL A 64 0.465 8.254 -7.819 1.00 0.39 C ATOM 943 C VAL A 64 -0.248 7.229 -6.915 1.00 0.33 C ATOM 944 O VAL A 64 -0.626 6.153 -7.374 1.00 0.37 O ATOM 945 CB VAL A 64 2.007 8.037 -7.782 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.385 6.687 -8.367 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.732 9.151 -8.522 1.00 0.56 C ATOM 0 H VAL A 64 0.859 10.119 -6.967 1.00 0.42 H new ATOM 0 HA VAL A 64 0.128 8.099 -8.844 1.00 0.39 H new ATOM 0 HB VAL A 64 2.316 8.057 -6.737 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.467 6.564 -8.328 1.00 0.55 H new ATOM 0 HG12 VAL A 64 1.908 5.894 -7.790 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.051 6.633 -9.403 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.807 8.975 -8.481 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.407 9.169 -9.562 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.503 10.108 -8.054 1.00 0.56 H new ATOM 957 N ALA A 65 -0.462 7.598 -5.648 1.00 0.35 N ATOM 958 CA ALA A 65 -1.144 6.765 -4.682 1.00 0.38 C ATOM 959 C ALA A 65 -2.539 6.425 -5.180 1.00 0.43 C ATOM 960 O ALA A 65 -2.912 5.261 -5.251 1.00 0.47 O ATOM 961 CB ALA A 65 -1.223 7.493 -3.338 1.00 0.44 C ATOM 0 H ALA A 65 -0.159 8.496 -5.271 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.586 5.838 -4.550 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.737 6.863 -2.613 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.216 7.709 -2.981 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -1.772 8.426 -3.462 1.00 0.44 H new ATOM 967 N GLY A 66 -3.270 7.440 -5.597 1.00 0.49 N ATOM 968 CA GLY A 66 -4.616 7.228 -6.082 1.00 0.59 C ATOM 969 C GLY A 66 -4.652 6.671 -7.498 1.00 0.53 C ATOM 970 O GLY A 66 -5.720 6.361 -8.023 1.00 0.69 O ATOM 0 H GLY A 66 -2.957 8.411 -5.609 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.134 6.541 -5.413 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.160 8.172 -6.054 1.00 0.59 H new ATOM 974 N ARG A 67 -3.495 6.524 -8.108 1.00 0.45 N ATOM 975 CA ARG A 67 -3.402 6.054 -9.470 1.00 0.45 C ATOM 976 C ARG A 67 -2.854 4.631 -9.582 1.00 0.39 C ATOM 977 O ARG A 67 -2.581 4.154 -10.692 1.00 0.51 O ATOM 978 CB ARG A 67 -2.591 7.014 -10.320 1.00 0.56 C ATOM 979 CG ARG A 67 -3.324 8.300 -10.692 1.00 1.08 C ATOM 980 CD ARG A 67 -2.390 9.257 -11.413 1.00 1.48 C ATOM 981 NE ARG A 67 -1.733 8.604 -12.540 1.00 2.15 N ATOM 982 CZ ARG A 67 -0.417 8.573 -12.748 1.00 2.93 C ATOM 983 NH1 ARG A 67 0.399 9.346 -12.044 1.00 3.24 N ATOM 984 NH2 ARG A 67 0.067 7.784 -13.695 1.00 3.83 N ATOM 0 H ARG A 67 -2.595 6.727 -7.673 1.00 0.45 H new ATOM 0 HA ARG A 67 -4.422 6.020 -9.852 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.678 7.273 -9.784 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -2.290 6.504 -11.235 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -4.178 8.067 -11.329 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -3.717 8.775 -9.793 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.953 10.121 -11.767 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -1.639 9.630 -10.717 1.00 1.48 H new ATOM 0 HE ARG A 67 -2.328 8.134 -13.223 1.00 2.15 H new ATOM 0 HH11 ARG A 67 0.021 9.973 -11.334 1.00 3.24 H new ATOM 0 HH12 ARG A 67 1.404 9.313 -12.213 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -0.565 7.211 -14.254 1.00 3.83 H new ATOM 0 HH22 ARG A 67 1.072 7.750 -13.866 1.00 3.83 H new ATOM 998 N VAL A 68 -2.669 3.952 -8.462 1.00 0.35 N ATOM 999 CA VAL A 68 -2.299 2.549 -8.525 1.00 0.34 C ATOM 1000 C VAL A 68 -3.562 1.694 -8.569 1.00 0.39 C ATOM 1001 O VAL A 68 -4.677 2.240 -8.493 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.315 2.074 -7.405 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.011 2.783 -7.535 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.881 2.287 -6.010 1.00 0.36 C ATOM 0 H VAL A 68 -2.766 4.337 -7.522 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.728 2.420 -9.444 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.171 1.002 -7.541 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.685 2.442 -6.749 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.448 2.562 -8.509 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.141 3.858 -7.441 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.161 1.942 -5.268 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.080 3.348 -5.856 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.809 1.725 -5.904 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.424 0.396 -8.676 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.608 -0.458 -8.780 1.00 0.49 C ATOM 1016 C ASP A 69 -4.450 -1.651 -7.888 1.00 0.40 C ATOM 1017 O ASP A 69 -5.334 -1.985 -7.067 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.749 -0.950 -10.216 1.00 0.68 C ATOM 1019 CG ASP A 69 -6.085 -1.566 -10.511 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.276 -2.771 -10.275 1.00 0.86 O ATOM 1021 OD2 ASP A 69 -6.957 -0.863 -11.055 1.00 1.17 O ATOM 0 H ASP A 69 -2.530 -0.095 -8.694 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.487 0.115 -8.485 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.586 -0.114 -10.896 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.968 -1.682 -10.419 1.00 0.68 H new ATOM 1026 N THR A 70 -3.329 -2.288 -8.045 1.00 0.38 N ATOM 1027 CA THR A 70 -2.998 -3.462 -7.310 1.00 0.35 C ATOM 1028 C THR A 70 -1.929 -3.125 -6.264 1.00 0.33 C ATOM 1029 O THR A 70 -1.103 -2.205 -6.480 1.00 0.33 O ATOM 1030 CB THR A 70 -2.474 -4.544 -8.287 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.299 -4.055 -8.970 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.541 -4.873 -9.327 1.00 0.47 C ATOM 0 H THR A 70 -2.606 -1.996 -8.703 1.00 0.38 H new ATOM 0 HA THR A 70 -3.882 -3.843 -6.799 1.00 0.35 H new ATOM 0 HB THR A 70 -2.230 -5.440 -7.716 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.518 -3.227 -9.447 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.162 -5.635 -10.009 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.434 -5.246 -8.826 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.790 -3.974 -9.890 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.932 -3.812 -5.104 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.944 -3.608 -4.049 1.00 0.33 C ATOM 1042 C PRO A 71 0.492 -3.760 -4.536 1.00 0.29 C ATOM 1043 O PRO A 71 1.383 -3.109 -4.000 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.276 -4.692 -3.021 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.718 -4.936 -3.222 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.939 -4.805 -4.699 1.00 0.39 C ATOM 0 HA PRO A 71 -0.996 -2.594 -3.653 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.690 -5.596 -3.189 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.064 -4.359 -2.005 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -3.002 -5.927 -2.868 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.320 -4.215 -2.669 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.796 -5.755 -5.213 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.950 -4.468 -4.926 1.00 0.39 H new ATOM 1054 N ARG A 72 0.717 -4.583 -5.579 1.00 0.31 N ATOM 1055 CA ARG A 72 2.069 -4.791 -6.084 1.00 0.31 C ATOM 1056 C ARG A 72 2.667 -3.490 -6.625 1.00 0.29 C ATOM 1057 O ARG A 72 3.858 -3.256 -6.483 1.00 0.31 O ATOM 1058 CB ARG A 72 2.168 -5.917 -7.144 1.00 0.36 C ATOM 1059 CG ARG A 72 1.541 -5.609 -8.496 1.00 0.48 C ATOM 1060 CD ARG A 72 1.932 -6.653 -9.543 1.00 0.58 C ATOM 1061 NE ARG A 72 1.243 -7.946 -9.391 1.00 1.01 N ATOM 1062 CZ ARG A 72 1.824 -9.125 -9.073 1.00 1.40 C ATOM 1063 NH1 ARG A 72 3.025 -9.178 -8.514 1.00 1.35 N ATOM 1064 NH2 ARG A 72 1.155 -10.243 -9.283 1.00 2.47 N ATOM 0 H ARG A 72 -0.010 -5.101 -6.073 1.00 0.31 H new ATOM 0 HA ARG A 72 2.655 -5.121 -5.226 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.221 -6.154 -7.298 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.695 -6.813 -6.741 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.456 -5.579 -8.397 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.858 -4.621 -8.829 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.719 -6.254 -10.535 1.00 0.58 H new ATOM 0 HD3 ARG A 72 3.008 -6.819 -9.491 1.00 0.58 H new ATOM 0 HE ARG A 72 0.234 -7.953 -9.539 1.00 1.01 H new ATOM 0 HH11 ARG A 72 3.533 -8.316 -8.314 1.00 1.35 H new ATOM 0 HH12 ARG A 72 3.441 -10.080 -8.284 1.00 1.35 H new ATOM 0 HH21 ARG A 72 0.216 -10.209 -9.679 1.00 2.47 H new ATOM 0 HH22 ARG A 72 1.577 -11.142 -9.049 1.00 2.47 H new ATOM 1078 N GLU A 73 1.818 -2.632 -7.192 1.00 0.28 N ATOM 1079 CA GLU A 73 2.251 -1.343 -7.741 1.00 0.28 C ATOM 1080 C GLU A 73 2.617 -0.395 -6.620 1.00 0.25 C ATOM 1081 O GLU A 73 3.639 0.273 -6.667 1.00 0.25 O ATOM 1082 CB GLU A 73 1.137 -0.727 -8.555 1.00 0.33 C ATOM 1083 CG GLU A 73 0.737 -1.533 -9.758 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.522 -1.008 -10.373 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -0.461 -0.062 -11.180 1.00 1.24 O ATOM 1086 OE2 GLU A 73 -1.597 -1.534 -10.043 1.00 2.06 O ATOM 0 H GLU A 73 0.817 -2.807 -7.284 1.00 0.28 H new ATOM 0 HA GLU A 73 3.121 -1.514 -8.375 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.265 -0.593 -7.915 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.447 0.265 -8.883 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.540 -1.512 -10.495 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.596 -2.575 -9.469 1.00 0.45 H new ATOM 1093 N LEU A 74 1.774 -0.376 -5.604 1.00 0.27 N ATOM 1094 CA LEU A 74 1.963 0.470 -4.424 1.00 0.27 C ATOM 1095 C LEU A 74 3.264 0.060 -3.751 1.00 0.25 C ATOM 1096 O LEU A 74 4.103 0.892 -3.404 1.00 0.25 O ATOM 1097 CB LEU A 74 0.784 0.227 -3.461 1.00 0.30 C ATOM 1098 CG LEU A 74 0.529 1.251 -2.313 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.575 1.177 -1.223 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.456 2.668 -2.863 1.00 1.00 C ATOM 0 H LEU A 74 0.931 -0.949 -5.567 1.00 0.27 H new ATOM 0 HA LEU A 74 2.003 1.524 -4.698 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.125 0.169 -4.060 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.927 -0.752 -3.004 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.428 0.983 -1.866 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.348 1.911 -0.450 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.575 0.178 -0.786 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.557 1.388 -1.646 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.278 3.367 -2.046 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.397 2.917 -3.354 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.359 2.737 -3.584 1.00 1.00 H new ATOM 1112 N LEU A 75 3.412 -1.235 -3.605 1.00 0.29 N ATOM 1113 CA LEU A 75 4.559 -1.841 -3.020 1.00 0.34 C ATOM 1114 C LEU A 75 5.811 -1.515 -3.832 1.00 0.29 C ATOM 1115 O LEU A 75 6.865 -1.249 -3.278 1.00 0.30 O ATOM 1116 CB LEU A 75 4.329 -3.336 -2.996 1.00 0.49 C ATOM 1117 CG LEU A 75 5.456 -4.170 -2.484 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.667 -3.952 -0.998 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.229 -5.617 -2.820 1.00 0.90 C ATOM 0 H LEU A 75 2.707 -1.909 -3.904 1.00 0.29 H new ATOM 0 HA LEU A 75 4.710 -1.461 -2.010 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.449 -3.537 -2.385 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.094 -3.662 -4.009 1.00 0.49 H new ATOM 0 HG LEU A 75 6.375 -3.858 -2.979 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.494 -4.572 -0.653 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.899 -2.903 -0.813 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.760 -4.224 -0.458 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.059 -6.213 -2.440 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.300 -5.955 -2.362 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.164 -5.733 -3.902 1.00 0.90 H new ATOM 1131 N ASP A 76 5.663 -1.500 -5.142 1.00 0.29 N ATOM 1132 CA ASP A 76 6.766 -1.213 -6.059 1.00 0.33 C ATOM 1133 C ASP A 76 7.197 0.244 -5.927 1.00 0.29 C ATOM 1134 O ASP A 76 8.388 0.565 -6.031 1.00 0.33 O ATOM 1135 CB ASP A 76 6.362 -1.539 -7.499 1.00 0.40 C ATOM 1136 CG ASP A 76 7.469 -1.329 -8.497 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.309 -2.251 -8.682 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.499 -0.263 -9.151 1.00 0.63 O ATOM 0 H ASP A 76 4.775 -1.686 -5.609 1.00 0.29 H new ATOM 0 HA ASP A 76 7.615 -1.844 -5.796 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.031 -2.576 -7.549 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.510 -0.919 -7.778 1.00 0.40 H new ATOM 1143 N LEU A 77 6.228 1.120 -5.670 1.00 0.25 N ATOM 1144 CA LEU A 77 6.501 2.523 -5.405 1.00 0.25 C ATOM 1145 C LEU A 77 7.351 2.639 -4.149 1.00 0.26 C ATOM 1146 O LEU A 77 8.352 3.365 -4.120 1.00 0.32 O ATOM 1147 CB LEU A 77 5.199 3.287 -5.209 1.00 0.26 C ATOM 1148 CG LEU A 77 4.240 3.316 -6.388 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.957 4.031 -6.002 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.888 3.980 -7.593 1.00 0.38 C ATOM 0 H LEU A 77 5.238 0.875 -5.641 1.00 0.25 H new ATOM 0 HA LEU A 77 7.034 2.949 -6.255 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.676 2.855 -4.356 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.445 4.316 -4.945 1.00 0.26 H new ATOM 0 HG LEU A 77 3.995 2.290 -6.662 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.278 4.045 -6.854 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.485 3.508 -5.171 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.186 5.054 -5.703 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.184 3.990 -8.425 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.165 5.003 -7.339 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.780 3.423 -7.879 1.00 0.38 H new ATOM 1162 N ILE A 78 6.940 1.900 -3.114 1.00 0.25 N ATOM 1163 CA ILE A 78 7.675 1.812 -1.858 1.00 0.29 C ATOM 1164 C ILE A 78 9.089 1.327 -2.146 1.00 0.34 C ATOM 1165 O ILE A 78 10.048 1.949 -1.745 1.00 0.40 O ATOM 1166 CB ILE A 78 6.983 0.811 -0.874 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.579 1.295 -0.483 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.839 0.578 0.380 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.574 2.607 0.277 1.00 0.46 C ATOM 0 H ILE A 78 6.084 1.345 -3.128 1.00 0.25 H new ATOM 0 HA ILE A 78 7.694 2.798 -1.394 1.00 0.29 H new ATOM 0 HB ILE A 78 6.882 -0.140 -1.397 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.979 1.407 -1.386 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.098 0.530 0.127 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.330 -0.122 1.043 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.805 0.166 0.089 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.990 1.525 0.899 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.548 2.884 0.518 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.146 2.496 1.198 1.00 0.46 H new ATOM 0 HD13 ILE A 78 6.025 3.386 -0.338 1.00 0.46 H new ATOM 1181 N ASN A 79 9.185 0.200 -2.850 1.00 0.37 N ATOM 1182 CA ASN A 79 10.468 -0.415 -3.224 1.00 0.46 C ATOM 1183 C ASN A 79 11.398 0.580 -3.895 1.00 0.40 C ATOM 1184 O ASN A 79 12.558 0.712 -3.496 1.00 0.45 O ATOM 1185 CB ASN A 79 10.267 -1.637 -4.151 1.00 0.62 C ATOM 1186 CG ASN A 79 9.537 -2.801 -3.497 1.00 0.84 C ATOM 1187 OD1 ASN A 79 8.846 -3.569 -4.165 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.676 -2.939 -2.206 1.00 0.56 N ATOM 0 H ASN A 79 8.372 -0.319 -3.181 1.00 0.37 H new ATOM 0 HA ASN A 79 10.928 -0.750 -2.294 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.709 -1.322 -5.033 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.242 -1.982 -4.496 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.204 -3.702 -1.721 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.257 -2.284 -1.683 1.00 0.56 H new ATOM 1195 N GLY A 80 10.872 1.293 -4.879 1.00 0.38 N ATOM 1196 CA GLY A 80 11.650 2.279 -5.601 1.00 0.41 C ATOM 1197 C GLY A 80 12.120 3.415 -4.705 1.00 0.45 C ATOM 1198 O GLY A 80 13.312 3.703 -4.630 1.00 0.55 O ATOM 0 H GLY A 80 9.906 1.204 -5.194 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.515 1.795 -6.054 1.00 0.41 H new ATOM 0 HA3 GLY A 80 11.050 2.686 -6.415 1.00 0.41 H new ATOM 1202 N ALA A 81 11.184 4.013 -3.984 1.00 0.44 N ATOM 1203 CA ALA A 81 11.473 5.149 -3.108 1.00 0.51 C ATOM 1204 C ALA A 81 12.402 4.765 -1.957 1.00 0.54 C ATOM 1205 O ALA A 81 13.228 5.569 -1.516 1.00 0.69 O ATOM 1206 CB ALA A 81 10.177 5.745 -2.574 1.00 0.52 C ATOM 0 H ALA A 81 10.204 3.729 -3.986 1.00 0.44 H new ATOM 0 HA ALA A 81 11.992 5.899 -3.704 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.406 6.589 -1.924 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.562 6.085 -3.407 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.634 4.988 -2.008 1.00 0.52 H new ATOM 1212 N LEU A 82 12.275 3.544 -1.480 1.00 0.44 N ATOM 1213 CA LEU A 82 13.069 3.059 -0.387 1.00 0.50 C ATOM 1214 C LEU A 82 14.496 2.782 -0.828 1.00 0.60 C ATOM 1215 O LEU A 82 15.432 3.194 -0.168 1.00 0.70 O ATOM 1216 CB LEU A 82 12.437 1.793 0.194 1.00 0.48 C ATOM 1217 CG LEU A 82 13.180 1.136 1.339 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.246 2.059 2.556 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.552 -0.201 1.688 1.00 0.66 C ATOM 0 H LEU A 82 11.612 2.861 -1.847 1.00 0.44 H new ATOM 0 HA LEU A 82 13.100 3.830 0.383 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.431 2.038 0.535 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.332 1.064 -0.609 1.00 0.48 H new ATOM 0 HG LEU A 82 14.205 0.950 1.018 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.785 1.561 3.362 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.765 2.979 2.287 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.235 2.296 2.888 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.100 -0.656 2.513 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.514 -0.049 1.983 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.590 -0.859 0.820 1.00 0.66 H new ATOM 1231 N ALA A 83 14.653 2.130 -1.975 1.00 0.64 N ATOM 1232 CA ALA A 83 15.969 1.740 -2.484 1.00 0.79 C ATOM 1233 C ALA A 83 16.887 2.942 -2.713 1.00 0.95 C ATOM 1234 O ALA A 83 18.115 2.828 -2.611 1.00 1.13 O ATOM 1235 CB ALA A 83 15.825 0.932 -3.764 1.00 0.86 C ATOM 0 H ALA A 83 13.877 1.857 -2.578 1.00 0.64 H new ATOM 0 HA ALA A 83 16.437 1.121 -1.719 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.812 0.650 -4.129 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.242 0.033 -3.563 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.317 1.533 -4.518 1.00 0.86 H new ATOM 1241 N GLU A 84 16.304 4.076 -3.018 1.00 0.95 N ATOM 1242 CA GLU A 84 17.044 5.272 -3.276 1.00 1.17 C ATOM 1243 C GLU A 84 17.388 6.029 -1.983 1.00 1.25 C ATOM 1244 O GLU A 84 18.368 6.768 -1.937 1.00 1.52 O ATOM 1245 CB GLU A 84 16.246 6.149 -4.218 1.00 1.23 C ATOM 1246 CG GLU A 84 16.001 5.530 -5.593 1.00 1.40 C ATOM 1247 CD GLU A 84 17.284 5.240 -6.342 1.00 1.80 C ATOM 1248 OE1 GLU A 84 17.817 6.149 -7.008 1.00 2.17 O ATOM 1249 OE2 GLU A 84 17.787 4.102 -6.278 1.00 2.47 O ATOM 0 H GLU A 84 15.293 4.188 -3.093 1.00 0.95 H new ATOM 0 HA GLU A 84 17.993 5.000 -3.738 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.284 6.377 -3.758 1.00 1.23 H new ATOM 0 HB3 GLU A 84 16.770 7.096 -4.346 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.437 4.605 -5.475 1.00 1.40 H new ATOM 0 HG3 GLU A 84 15.384 6.205 -6.186 1.00 1.40 H new