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 40 TYR OH : rot -165:sc= -0.536 USER MOD Set 1.2: A 48 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 6 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 17 SER OG : rot 78:sc= 0.664 USER MOD Single : A 42 SER OG : rot -30:sc= 0.0961 USER MOD Single : A 46 MET CE :methyl -114:sc= -1.53 (180deg=-4.42!) USER MOD Single : A 54 SER OG : rot 74:sc= 0.48 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 59 SER OG : rot 41:sc= 0.125 USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.73 USER MOD Single : A 79 ASN : amide:sc= 1.28 K(o=1.3,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.348 -9.580 -0.193 1.00 1.02 N ATOM 45 CA LEU A 4 10.422 -9.040 -1.142 1.00 0.89 C ATOM 46 C LEU A 4 9.003 -9.191 -0.651 1.00 0.82 C ATOM 47 O LEU A 4 8.591 -10.259 -0.176 1.00 1.00 O ATOM 48 CB LEU A 4 10.583 -9.729 -2.510 1.00 0.93 C ATOM 49 CG LEU A 4 11.924 -9.514 -3.231 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.004 -10.379 -4.466 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.096 -8.054 -3.620 1.00 1.09 C ATOM 0 HA LEU A 4 10.639 -7.978 -1.257 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.437 -10.800 -2.372 1.00 0.93 H new ATOM 0 HB3 LEU A 4 9.784 -9.380 -3.164 1.00 0.93 H new ATOM 0 HG LEU A 4 12.724 -9.794 -2.546 1.00 1.05 H new ATOM 0 HD11 LEU A 4 12.959 -10.214 -4.964 1.00 1.31 H new ATOM 0 HD12 LEU A 4 11.919 -11.428 -4.182 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.191 -10.120 -5.145 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.051 -7.923 -4.129 1.00 1.09 H new ATOM 0 HD22 LEU A 4 11.286 -7.757 -4.286 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.074 -7.434 -2.724 1.00 1.09 H new ATOM 63 N LEU A 5 8.287 -8.131 -0.758 1.00 0.69 N ATOM 64 CA LEU A 5 6.905 -8.053 -0.414 1.00 0.62 C ATOM 65 C LEU A 5 6.151 -8.546 -1.638 1.00 0.51 C ATOM 66 O LEU A 5 6.384 -8.032 -2.738 1.00 0.50 O ATOM 67 CB LEU A 5 6.573 -6.566 -0.168 1.00 0.64 C ATOM 68 CG LEU A 5 5.191 -6.222 0.377 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.067 -6.671 1.812 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.939 -4.731 0.270 1.00 1.01 C ATOM 0 H LEU A 5 8.663 -7.248 -1.104 1.00 0.69 H new ATOM 0 HA LEU A 5 6.648 -8.636 0.471 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.314 -6.169 0.526 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.702 -6.035 -1.111 1.00 0.64 H new ATOM 0 HG LEU A 5 4.443 -6.746 -0.218 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.075 -6.419 2.188 1.00 1.14 H new ATOM 0 HD12 LEU A 5 5.213 -7.750 1.870 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.822 -6.169 2.417 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.949 -4.500 0.663 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.692 -4.193 0.845 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.995 -4.427 -0.775 1.00 1.01 H new ATOM 82 N THR A 6 5.313 -9.551 -1.501 1.00 0.53 N ATOM 83 CA THR A 6 4.605 -10.019 -2.665 1.00 0.54 C ATOM 84 C THR A 6 3.156 -9.532 -2.674 1.00 0.47 C ATOM 85 O THR A 6 2.768 -8.719 -1.820 1.00 0.45 O ATOM 86 CB THR A 6 4.691 -11.560 -2.878 1.00 0.74 C ATOM 87 OG1 THR A 6 4.119 -12.280 -1.764 1.00 0.84 O ATOM 88 CG2 THR A 6 6.134 -11.999 -3.092 1.00 1.01 C ATOM 0 H THR A 6 5.112 -10.042 -0.630 1.00 0.53 H new ATOM 0 HA THR A 6 5.119 -9.576 -3.518 1.00 0.54 H new ATOM 0 HB THR A 6 4.113 -11.796 -3.772 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.541 -11.983 -0.931 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.168 -13.079 -3.238 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.539 -11.500 -3.973 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.729 -11.732 -2.218 1.00 1.01 H new ATOM 96 N THR A 7 2.373 -10.045 -3.608 1.00 0.53 N ATOM 97 CA THR A 7 0.981 -9.676 -3.806 1.00 0.55 C ATOM 98 C THR A 7 0.162 -9.822 -2.501 1.00 0.49 C ATOM 99 O THR A 7 -0.400 -8.846 -1.994 1.00 0.47 O ATOM 100 CB THR A 7 0.409 -10.613 -4.890 1.00 0.73 C ATOM 101 OG1 THR A 7 1.325 -10.631 -6.001 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.951 -10.136 -5.379 1.00 0.95 C ATOM 0 H THR A 7 2.698 -10.751 -4.269 1.00 0.53 H new ATOM 0 HA THR A 7 0.918 -8.631 -4.109 1.00 0.55 H new ATOM 0 HB THR A 7 0.285 -11.608 -4.463 1.00 0.73 H new ATOM 0 HG1 THR A 7 0.979 -11.224 -6.701 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.324 -10.820 -6.142 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.650 -10.110 -4.543 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.855 -9.137 -5.803 1.00 0.95 H new ATOM 110 N ASP A 8 0.171 -11.016 -1.930 1.00 0.57 N ATOM 111 CA ASP A 8 -0.618 -11.305 -0.729 1.00 0.61 C ATOM 112 C ASP A 8 -0.117 -10.506 0.463 1.00 0.54 C ATOM 113 O ASP A 8 -0.906 -10.007 1.259 1.00 0.53 O ATOM 114 CB ASP A 8 -0.611 -12.805 -0.425 1.00 0.81 C ATOM 115 CG ASP A 8 -1.402 -13.174 0.813 1.00 1.41 C ATOM 116 OD1 ASP A 8 -2.653 -13.114 0.777 1.00 1.86 O ATOM 117 OD2 ASP A 8 -0.789 -13.547 1.827 1.00 2.14 O ATOM 0 H ASP A 8 0.715 -11.807 -2.275 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.647 -11.002 -0.922 1.00 0.61 H new ATOM 0 HB2 ASP A 8 -1.019 -13.343 -1.281 1.00 0.81 H new ATOM 0 HB3 ASP A 8 0.420 -13.138 -0.301 1.00 0.81 H new ATOM 122 N ASP A 9 1.197 -10.313 0.521 1.00 0.55 N ATOM 123 CA ASP A 9 1.837 -9.564 1.616 1.00 0.57 C ATOM 124 C ASP A 9 1.399 -8.113 1.596 1.00 0.50 C ATOM 125 O ASP A 9 1.055 -7.538 2.634 1.00 0.57 O ATOM 126 CB ASP A 9 3.366 -9.572 1.508 1.00 0.65 C ATOM 127 CG ASP A 9 4.028 -10.901 1.689 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.140 -11.366 2.841 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.374 -11.541 0.684 1.00 1.61 O ATOM 0 H ASP A 9 1.850 -10.665 -0.179 1.00 0.55 H new ATOM 0 HA ASP A 9 1.531 -10.058 2.538 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.644 -9.180 0.530 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.767 -8.884 2.252 1.00 0.65 H new ATOM 134 N LEU A 10 1.409 -7.528 0.405 1.00 0.43 N ATOM 135 CA LEU A 10 1.030 -6.143 0.220 1.00 0.43 C ATOM 136 C LEU A 10 -0.433 -5.965 0.548 1.00 0.41 C ATOM 137 O LEU A 10 -0.792 -5.074 1.310 1.00 0.47 O ATOM 138 CB LEU A 10 1.297 -5.701 -1.226 1.00 0.46 C ATOM 139 CG LEU A 10 0.906 -4.258 -1.582 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.713 -3.252 -0.777 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.072 -4.015 -3.068 1.00 0.79 C ATOM 0 H LEU A 10 1.680 -8.004 -0.455 1.00 0.43 H new ATOM 0 HA LEU A 10 1.628 -5.525 0.889 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.360 -5.828 -1.431 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.761 -6.375 -1.894 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.144 -4.121 -1.324 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.413 -2.241 -1.052 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.532 -3.408 0.286 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.774 -3.385 -0.987 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.791 -2.988 -3.302 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.112 -4.180 -3.350 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.433 -4.702 -3.623 1.00 0.79 H new ATOM 153 N ARG A 11 -1.261 -6.837 -0.012 1.00 0.39 N ATOM 154 CA ARG A 11 -2.703 -6.817 0.205 1.00 0.44 C ATOM 155 C ARG A 11 -3.049 -6.787 1.678 1.00 0.44 C ATOM 156 O ARG A 11 -3.886 -5.999 2.100 1.00 0.48 O ATOM 157 CB ARG A 11 -3.359 -8.002 -0.474 1.00 0.52 C ATOM 158 CG ARG A 11 -4.862 -8.085 -0.294 1.00 0.70 C ATOM 159 CD ARG A 11 -5.434 -9.169 -1.168 1.00 0.85 C ATOM 160 NE ARG A 11 -4.805 -10.470 -0.923 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.576 -11.395 -1.864 1.00 1.67 C ATOM 162 NH1 ARG A 11 -4.930 -11.159 -3.116 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.979 -12.538 -1.544 1.00 2.23 N ATOM 0 H ARG A 11 -0.950 -7.583 -0.634 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.090 -5.900 -0.240 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -3.136 -7.961 -1.540 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.910 -8.918 -0.090 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -5.099 -8.287 0.750 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.319 -7.128 -0.545 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -6.507 -9.247 -0.991 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.303 -8.896 -2.215 1.00 0.85 H new ATOM 0 HE ARG A 11 -4.521 -10.686 0.033 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -5.376 -10.275 -3.362 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -4.757 -11.861 -3.836 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.694 -12.712 -0.580 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.806 -13.241 -2.262 1.00 2.23 H new ATOM 177 N ARG A 12 -2.388 -7.637 2.449 1.00 0.47 N ATOM 178 CA ARG A 12 -2.590 -7.695 3.888 1.00 0.54 C ATOM 179 C ARG A 12 -2.324 -6.354 4.541 1.00 0.54 C ATOM 180 O ARG A 12 -3.157 -5.854 5.268 1.00 0.62 O ATOM 181 CB ARG A 12 -1.729 -8.773 4.518 1.00 0.64 C ATOM 182 CG ARG A 12 -2.125 -10.172 4.117 1.00 1.04 C ATOM 183 CD ARG A 12 -1.172 -11.201 4.673 1.00 1.27 C ATOM 184 NE ARG A 12 -1.082 -11.156 6.137 1.00 1.78 N ATOM 185 CZ ARG A 12 -1.138 -12.226 6.933 1.00 2.34 C ATOM 186 NH1 ARG A 12 -1.527 -13.410 6.446 1.00 2.59 N ATOM 187 NH2 ARG A 12 -0.856 -12.094 8.220 1.00 3.25 N ATOM 0 H ARG A 12 -1.700 -8.303 2.097 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.636 -7.949 4.058 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.689 -8.605 4.239 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.787 -8.685 5.603 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -3.134 -10.381 4.472 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -2.148 -10.247 3.030 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -1.495 -12.195 4.363 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.182 -11.041 4.247 1.00 1.27 H new ATOM 0 HE ARG A 12 -0.969 -10.243 6.577 1.00 1.78 H new ATOM 0 HH11 ARG A 12 -1.782 -13.498 5.462 1.00 2.59 H new ATOM 0 HH12 ARG A 12 -1.568 -14.225 7.058 1.00 2.59 H new ATOM 0 HH21 ARG A 12 -0.599 -11.181 8.595 1.00 3.25 H new ATOM 0 HH22 ARG A 12 -0.896 -12.905 8.837 1.00 3.25 H new ATOM 201 N ALA A 13 -1.197 -5.749 4.216 1.00 0.52 N ATOM 202 CA ALA A 13 -0.814 -4.466 4.805 1.00 0.59 C ATOM 203 C ALA A 13 -1.810 -3.371 4.427 1.00 0.59 C ATOM 204 O ALA A 13 -2.123 -2.473 5.244 1.00 0.69 O ATOM 205 CB ALA A 13 0.590 -4.087 4.364 1.00 0.66 C ATOM 0 H ALA A 13 -0.524 -6.122 3.546 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.826 -4.569 5.890 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.865 -3.130 4.808 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.293 -4.854 4.690 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.620 -4.005 3.278 1.00 0.66 H new ATOM 211 N LEU A 14 -2.316 -3.455 3.208 1.00 0.52 N ATOM 212 CA LEU A 14 -3.310 -2.521 2.721 1.00 0.55 C ATOM 213 C LEU A 14 -4.617 -2.696 3.498 1.00 0.58 C ATOM 214 O LEU A 14 -5.099 -1.757 4.152 1.00 0.68 O ATOM 215 CB LEU A 14 -3.590 -2.742 1.219 1.00 0.52 C ATOM 216 CG LEU A 14 -2.401 -2.669 0.248 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.879 -2.849 -1.169 1.00 1.30 C ATOM 218 CD2 LEU A 14 -1.640 -1.366 0.380 1.00 1.05 C ATOM 0 H LEU A 14 -2.049 -4.171 2.532 1.00 0.52 H new ATOM 0 HA LEU A 14 -2.920 -1.513 2.865 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -4.055 -3.722 1.106 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.326 -2.002 0.903 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.716 -3.476 0.506 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.029 -2.796 -1.849 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.363 -3.820 -1.269 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.591 -2.061 -1.416 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.808 -1.357 -0.325 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -2.307 -0.532 0.164 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -1.256 -1.270 1.396 1.00 1.05 H new ATOM 230 N VAL A 15 -5.142 -3.930 3.481 1.00 0.57 N ATOM 231 CA VAL A 15 -6.433 -4.257 4.090 1.00 0.66 C ATOM 232 C VAL A 15 -6.401 -4.150 5.632 1.00 0.72 C ATOM 233 O VAL A 15 -7.438 -4.026 6.292 1.00 0.91 O ATOM 234 CB VAL A 15 -6.995 -5.655 3.611 1.00 0.70 C ATOM 235 CG1 VAL A 15 -6.216 -6.824 4.191 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.488 -5.791 3.889 1.00 1.01 C ATOM 0 H VAL A 15 -4.681 -4.728 3.044 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.132 -3.500 3.734 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.856 -5.687 2.530 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.643 -7.760 3.831 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -5.174 -6.757 3.880 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -6.272 -6.795 5.279 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.835 -6.765 3.545 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.669 -5.699 4.960 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -9.029 -5.006 3.361 1.00 1.01 H new ATOM 246 N GLU A 16 -5.214 -4.198 6.210 1.00 0.66 N ATOM 247 CA GLU A 16 -5.090 -3.999 7.632 1.00 0.79 C ATOM 248 C GLU A 16 -5.214 -2.521 7.981 1.00 0.83 C ATOM 249 O GLU A 16 -5.739 -2.171 9.049 1.00 0.98 O ATOM 250 CB GLU A 16 -3.802 -4.608 8.209 1.00 0.94 C ATOM 251 CG GLU A 16 -3.781 -6.135 8.230 1.00 1.08 C ATOM 252 CD GLU A 16 -2.536 -6.691 8.886 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.406 -6.553 10.126 1.00 1.49 O ATOM 254 OE2 GLU A 16 -1.683 -7.293 8.199 1.00 1.71 O ATOM 0 H GLU A 16 -4.336 -4.371 5.720 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.915 -4.535 8.102 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.953 -4.253 7.625 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.665 -4.241 9.226 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -4.660 -6.499 8.761 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.847 -6.510 7.209 1.00 1.08 H new ATOM 261 N SER A 17 -4.758 -1.654 7.094 1.00 0.77 N ATOM 262 CA SER A 17 -4.871 -0.238 7.338 1.00 0.91 C ATOM 263 C SER A 17 -6.273 0.223 6.974 1.00 0.95 C ATOM 264 O SER A 17 -7.018 0.667 7.844 1.00 1.24 O ATOM 265 CB SER A 17 -3.780 0.543 6.598 1.00 0.98 C ATOM 266 OG SER A 17 -2.500 -0.052 6.854 1.00 1.24 O ATOM 0 H SER A 17 -4.313 -1.906 6.212 1.00 0.77 H new ATOM 0 HA SER A 17 -4.714 -0.037 8.398 1.00 0.91 H new ATOM 0 HB2 SER A 17 -3.983 0.544 5.527 1.00 0.98 H new ATOM 0 HB3 SER A 17 -3.780 1.583 6.924 1.00 0.98 H new ATOM 0 HG SER A 17 -2.399 -0.859 6.307 1.00 1.24 H new ATOM 272 N ALA A 18 -6.656 0.068 5.722 1.00 0.83 N ATOM 273 CA ALA A 18 -8.006 0.385 5.325 1.00 0.94 C ATOM 274 C ALA A 18 -8.878 -0.784 5.702 1.00 1.41 C ATOM 275 O ALA A 18 -8.976 -1.771 4.972 1.00 2.05 O ATOM 276 CB ALA A 18 -8.104 0.674 3.851 1.00 1.05 C ATOM 0 H ALA A 18 -6.055 -0.272 4.971 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.335 1.290 5.836 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.137 0.908 3.594 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -7.467 1.523 3.604 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -7.779 -0.200 3.286 1.00 1.05 H new ATOM 393 N GLY A 28 -8.605 -9.697 -2.385 1.00 0.95 N ATOM 394 CA GLY A 28 -8.532 -10.431 -3.632 1.00 1.09 C ATOM 395 C GLY A 28 -7.691 -9.690 -4.650 1.00 0.84 C ATOM 396 O GLY A 28 -6.528 -9.381 -4.383 1.00 1.04 O ATOM 0 HA2 GLY A 28 -8.106 -11.418 -3.453 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -9.536 -10.584 -4.027 1.00 1.09 H new ATOM 400 N ASP A 29 -8.272 -9.374 -5.786 1.00 0.80 N ATOM 401 CA ASP A 29 -7.566 -8.647 -6.834 1.00 0.86 C ATOM 402 C ASP A 29 -7.560 -7.181 -6.499 1.00 0.77 C ATOM 403 O ASP A 29 -8.621 -6.561 -6.371 1.00 1.01 O ATOM 404 CB ASP A 29 -8.199 -8.851 -8.220 1.00 1.28 C ATOM 405 CG ASP A 29 -8.132 -10.268 -8.721 1.00 1.96 C ATOM 406 OD1 ASP A 29 -7.016 -10.774 -8.975 1.00 2.61 O ATOM 407 OD2 ASP A 29 -9.191 -10.930 -8.813 1.00 2.38 O ATOM 0 H ASP A 29 -9.238 -9.608 -6.015 1.00 0.80 H new ATOM 0 HA ASP A 29 -6.550 -9.038 -6.880 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -9.243 -8.539 -8.181 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -7.698 -8.199 -8.936 1.00 1.28 H new ATOM 412 N PHE A 30 -6.387 -6.620 -6.393 1.00 0.58 N ATOM 413 CA PHE A 30 -6.231 -5.249 -5.942 1.00 0.52 C ATOM 414 C PHE A 30 -5.074 -4.555 -6.677 1.00 0.46 C ATOM 415 O PHE A 30 -5.103 -3.356 -6.877 1.00 0.44 O ATOM 416 CB PHE A 30 -5.924 -5.250 -4.417 1.00 0.56 C ATOM 417 CG PHE A 30 -4.564 -5.838 -4.086 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.340 -7.200 -4.144 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.506 -5.013 -3.766 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.096 -7.720 -3.897 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.260 -5.531 -3.509 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.055 -6.881 -3.578 1.00 0.89 C ATOM 0 H PHE A 30 -5.510 -7.092 -6.614 1.00 0.58 H new ATOM 0 HA PHE A 30 -7.154 -4.709 -6.151 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -5.973 -4.228 -4.041 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.696 -5.818 -3.897 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.156 -7.864 -4.387 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -3.659 -3.945 -3.717 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -2.934 -8.786 -3.953 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -1.443 -4.873 -3.253 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.074 -7.289 -3.382 1.00 0.89 H new ATOM 432 N LEU A 31 -4.077 -5.353 -7.091 1.00 0.48 N ATOM 433 CA LEU A 31 -2.800 -4.878 -7.623 1.00 0.49 C ATOM 434 C LEU A 31 -2.938 -3.829 -8.729 1.00 0.43 C ATOM 435 O LEU A 31 -2.224 -2.821 -8.728 1.00 0.46 O ATOM 436 CB LEU A 31 -1.970 -6.061 -8.128 1.00 0.62 C ATOM 437 CG LEU A 31 -0.531 -5.747 -8.500 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.295 -5.455 -7.253 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.087 -6.862 -9.324 1.00 1.53 C ATOM 0 H LEU A 31 -4.143 -6.370 -7.062 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.294 -4.382 -6.795 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.966 -6.833 -7.359 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.467 -6.483 -9.001 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.533 -4.852 -9.121 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.322 -5.233 -7.541 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.128 -4.598 -6.728 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.283 -6.325 -6.596 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.116 -6.603 -9.572 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.074 -7.789 -8.750 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.485 -6.996 -10.242 1.00 1.53 H new ATOM 451 N ASP A 32 -3.846 -4.066 -9.652 1.00 0.43 N ATOM 452 CA ASP A 32 -4.002 -3.186 -10.816 1.00 0.49 C ATOM 453 C ASP A 32 -5.201 -2.245 -10.642 1.00 0.41 C ATOM 454 O ASP A 32 -5.567 -1.478 -11.547 1.00 0.51 O ATOM 455 CB ASP A 32 -4.175 -4.051 -12.068 1.00 0.68 C ATOM 456 CG ASP A 32 -3.861 -3.327 -13.353 1.00 1.43 C ATOM 457 OD1 ASP A 32 -2.690 -2.993 -13.600 1.00 2.17 O ATOM 458 OD2 ASP A 32 -4.813 -3.014 -14.108 1.00 1.99 O ATOM 0 H ASP A 32 -4.491 -4.856 -9.629 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.112 -2.564 -10.917 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.529 -4.925 -11.987 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.201 -4.415 -12.108 1.00 0.68 H new ATOM 463 N LEU A 33 -5.814 -2.307 -9.482 1.00 0.36 N ATOM 464 CA LEU A 33 -6.975 -1.490 -9.186 1.00 0.35 C ATOM 465 C LEU A 33 -6.556 -0.141 -8.609 1.00 0.32 C ATOM 466 O LEU A 33 -5.447 0.013 -8.102 1.00 0.38 O ATOM 467 CB LEU A 33 -7.978 -2.216 -8.249 1.00 0.46 C ATOM 468 CG LEU A 33 -8.784 -3.407 -8.844 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.567 -2.984 -10.075 1.00 1.56 C ATOM 470 CD2 LEU A 33 -7.902 -4.610 -9.159 1.00 1.56 C ATOM 0 H LEU A 33 -5.526 -2.920 -8.719 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.495 -1.312 -10.127 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.425 -2.583 -7.384 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.691 -1.477 -7.882 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.490 -3.716 -8.073 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -10.119 -3.838 -10.466 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -10.266 -2.192 -9.807 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -8.878 -2.617 -10.836 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -8.514 -5.412 -9.571 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -7.142 -4.323 -9.886 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -7.418 -4.956 -8.245 1.00 1.56 H new ATOM 482 N ARG A 34 -7.429 0.825 -8.700 1.00 0.39 N ATOM 483 CA ARG A 34 -7.161 2.161 -8.202 1.00 0.49 C ATOM 484 C ARG A 34 -7.330 2.168 -6.687 1.00 0.45 C ATOM 485 O ARG A 34 -8.373 1.710 -6.199 1.00 0.50 O ATOM 486 CB ARG A 34 -8.179 3.147 -8.801 1.00 0.73 C ATOM 487 CG ARG A 34 -8.269 3.143 -10.327 1.00 0.89 C ATOM 488 CD ARG A 34 -7.016 3.667 -10.978 1.00 0.95 C ATOM 489 NE ARG A 34 -6.762 5.057 -10.610 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.739 5.778 -11.024 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.914 5.306 -11.966 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.575 6.992 -10.533 1.00 3.48 N ATOM 0 H ARG A 34 -8.351 0.715 -9.122 1.00 0.39 H new ATOM 0 HA ARG A 34 -6.148 2.453 -8.479 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -9.164 2.919 -8.394 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.923 4.154 -8.471 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -8.458 2.127 -10.674 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -9.119 3.750 -10.640 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.167 3.051 -10.683 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -7.107 3.587 -12.061 1.00 0.95 H new ATOM 0 HE ARG A 34 -7.429 5.506 -9.983 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -5.075 4.383 -12.369 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -4.124 5.870 -12.281 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -6.234 7.357 -9.845 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -4.789 7.565 -10.841 1.00 3.48 H new ATOM 506 N PHE A 35 -6.328 2.681 -5.932 1.00 0.43 N ATOM 507 CA PHE A 35 -6.460 2.838 -4.451 1.00 0.43 C ATOM 508 C PHE A 35 -7.764 3.545 -4.106 1.00 0.48 C ATOM 509 O PHE A 35 -8.467 3.183 -3.165 1.00 0.52 O ATOM 510 CB PHE A 35 -5.301 3.646 -3.836 1.00 0.44 C ATOM 511 CG PHE A 35 -3.996 2.920 -3.669 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.888 1.871 -2.771 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.869 3.318 -4.361 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.683 1.230 -2.573 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.661 2.677 -4.175 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.566 1.633 -3.277 1.00 0.60 C ATOM 0 H PHE A 35 -5.432 2.990 -6.310 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.442 1.831 -4.035 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.127 4.523 -4.460 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.618 4.008 -2.858 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.759 1.551 -2.219 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.934 4.142 -5.057 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.613 0.414 -1.869 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.791 2.992 -4.732 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.621 1.133 -3.126 1.00 0.60 H new ATOM 526 N GLU A 36 -8.079 4.507 -4.945 1.00 0.53 N ATOM 527 CA GLU A 36 -9.237 5.381 -4.849 1.00 0.67 C ATOM 528 C GLU A 36 -10.546 4.592 -4.657 1.00 0.73 C ATOM 529 O GLU A 36 -11.414 4.996 -3.892 1.00 0.87 O ATOM 530 CB GLU A 36 -9.325 6.178 -6.152 1.00 0.75 C ATOM 531 CG GLU A 36 -8.038 6.916 -6.520 1.00 1.26 C ATOM 532 CD GLU A 36 -8.071 7.460 -7.926 1.00 1.59 C ATOM 533 OE1 GLU A 36 -8.047 6.655 -8.879 1.00 2.04 O ATOM 534 OE2 GLU A 36 -8.113 8.685 -8.113 1.00 1.90 O ATOM 0 H GLU A 36 -7.503 4.716 -5.761 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.116 6.029 -3.981 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -9.587 5.499 -6.964 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -10.135 6.902 -6.068 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -7.879 7.736 -5.819 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -7.191 6.238 -6.415 1.00 1.26 H new ATOM 541 N ASP A 37 -10.682 3.474 -5.355 1.00 0.70 N ATOM 542 CA ASP A 37 -11.917 2.690 -5.284 1.00 0.83 C ATOM 543 C ASP A 37 -11.871 1.647 -4.173 1.00 0.82 C ATOM 544 O ASP A 37 -12.893 1.307 -3.588 1.00 0.98 O ATOM 545 CB ASP A 37 -12.241 2.028 -6.635 1.00 0.94 C ATOM 546 CG ASP A 37 -13.584 1.298 -6.641 1.00 1.41 C ATOM 547 OD1 ASP A 37 -14.642 1.964 -6.654 1.00 1.71 O ATOM 548 OD2 ASP A 37 -13.612 0.047 -6.656 1.00 2.12 O ATOM 0 H ASP A 37 -9.966 3.089 -5.971 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.718 3.390 -5.045 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -12.246 2.790 -7.414 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.450 1.321 -6.885 1.00 0.94 H new ATOM 553 N ILE A 38 -10.681 1.206 -3.822 1.00 0.68 N ATOM 554 CA ILE A 38 -10.532 0.100 -2.878 1.00 0.70 C ATOM 555 C ILE A 38 -10.376 0.565 -1.419 1.00 0.72 C ATOM 556 O ILE A 38 -9.480 0.138 -0.697 1.00 0.82 O ATOM 557 CB ILE A 38 -9.396 -0.883 -3.297 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.055 -0.142 -3.498 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.799 -1.642 -4.559 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.897 -1.031 -3.927 1.00 0.75 C ATOM 0 H ILE A 38 -9.802 1.589 -4.170 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.471 -0.453 -2.921 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.250 -1.601 -2.490 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.194 0.637 -4.247 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.787 0.356 -2.566 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.999 -2.326 -4.843 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.710 -2.209 -4.367 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.976 -0.934 -5.369 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.998 -0.426 -4.044 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.725 -1.795 -3.169 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.138 -1.510 -4.876 1.00 0.75 H new ATOM 572 N GLY A 39 -11.271 1.449 -1.011 1.00 0.75 N ATOM 573 CA GLY A 39 -11.346 1.887 0.373 1.00 0.87 C ATOM 574 C GLY A 39 -10.389 3.004 0.747 1.00 0.68 C ATOM 575 O GLY A 39 -10.342 3.421 1.905 1.00 0.76 O ATOM 0 H GLY A 39 -11.962 1.881 -1.625 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.364 2.218 0.579 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -11.152 1.031 1.020 1.00 0.87 H new ATOM 579 N TYR A 40 -9.642 3.507 -0.199 1.00 0.55 N ATOM 580 CA TYR A 40 -8.691 4.546 0.114 1.00 0.52 C ATOM 581 C TYR A 40 -9.205 5.944 -0.138 1.00 0.56 C ATOM 582 O TYR A 40 -9.709 6.266 -1.220 1.00 0.71 O ATOM 583 CB TYR A 40 -7.346 4.344 -0.586 1.00 0.60 C ATOM 584 CG TYR A 40 -6.474 3.273 0.015 1.00 0.55 C ATOM 585 CD1 TYR A 40 -6.763 1.949 -0.218 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.372 3.574 0.803 1.00 0.62 C ATOM 587 CE1 TYR A 40 -5.992 0.946 0.309 1.00 0.94 C ATOM 588 CE2 TYR A 40 -4.590 2.566 1.337 1.00 0.79 C ATOM 589 CZ TYR A 40 -4.831 1.360 1.155 1.00 0.93 C ATOM 590 OH TYR A 40 -4.160 0.241 1.593 1.00 1.21 O ATOM 0 H TYR A 40 -9.670 3.222 -1.178 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.538 4.452 1.189 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.530 4.098 -1.632 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.800 5.287 -0.572 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.616 1.694 -0.829 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.123 4.606 1.001 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -6.213 -0.095 0.122 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -3.734 2.838 1.937 1.00 0.79 H new ATOM 0 HH TYR A 40 -3.562 0.486 2.330 1.00 1.21 H new ATOM 600 N ASP A 41 -9.114 6.741 0.898 1.00 0.58 N ATOM 601 CA ASP A 41 -9.348 8.178 0.837 1.00 0.77 C ATOM 602 C ASP A 41 -8.044 8.845 0.439 1.00 0.91 C ATOM 603 O ASP A 41 -7.909 9.352 -0.670 1.00 1.78 O ATOM 604 CB ASP A 41 -9.831 8.672 2.209 1.00 0.86 C ATOM 605 CG ASP A 41 -9.662 10.157 2.445 1.00 1.62 C ATOM 606 OD1 ASP A 41 -10.464 10.955 1.937 1.00 2.34 O ATOM 607 OD2 ASP A 41 -8.718 10.539 3.181 1.00 2.07 O ATOM 0 H ASP A 41 -8.870 6.410 1.831 1.00 0.58 H new ATOM 0 HA ASP A 41 -10.116 8.423 0.104 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -10.885 8.419 2.320 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.290 8.131 2.985 1.00 0.86 H new ATOM 612 N SER A 42 -7.093 8.775 1.353 1.00 0.59 N ATOM 613 CA SER A 42 -5.715 9.227 1.188 1.00 0.58 C ATOM 614 C SER A 42 -5.034 9.157 2.540 1.00 0.51 C ATOM 615 O SER A 42 -3.837 8.853 2.641 1.00 0.51 O ATOM 616 CB SER A 42 -5.611 10.640 0.606 1.00 0.71 C ATOM 617 OG SER A 42 -6.233 11.619 1.479 1.00 0.97 O ATOM 0 H SER A 42 -7.265 8.382 2.278 1.00 0.59 H new ATOM 0 HA SER A 42 -5.223 8.574 0.467 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.562 10.897 0.457 1.00 0.71 H new ATOM 0 HB3 SER A 42 -6.089 10.668 -0.373 1.00 0.71 H new ATOM 0 HG SER A 42 -6.971 11.199 1.968 1.00 0.97 H new ATOM 622 N LEU A 43 -5.817 9.398 3.593 1.00 0.48 N ATOM 623 CA LEU A 43 -5.330 9.254 4.955 1.00 0.51 C ATOM 624 C LEU A 43 -4.892 7.797 5.161 1.00 0.46 C ATOM 625 O LEU A 43 -3.835 7.523 5.705 1.00 0.50 O ATOM 626 CB LEU A 43 -6.432 9.677 5.949 1.00 0.60 C ATOM 627 CG LEU A 43 -6.021 9.869 7.424 1.00 0.76 C ATOM 628 CD1 LEU A 43 -7.062 10.695 8.127 1.00 1.40 C ATOM 629 CD2 LEU A 43 -5.861 8.541 8.153 1.00 1.64 C ATOM 0 H LEU A 43 -6.791 9.694 3.523 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.471 9.901 5.133 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.864 10.613 5.595 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.223 8.928 5.914 1.00 0.60 H new ATOM 0 HG LEU A 43 -5.055 10.374 7.435 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -6.774 10.832 9.169 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -7.143 11.668 7.642 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -8.024 10.185 8.080 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -5.571 8.726 9.187 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -6.806 7.999 8.133 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.091 7.947 7.661 1.00 1.64 H new ATOM 641 N ALA A 44 -5.687 6.877 4.642 1.00 0.44 N ATOM 642 CA ALA A 44 -5.377 5.456 4.692 1.00 0.45 C ATOM 643 C ALA A 44 -4.123 5.151 3.892 1.00 0.41 C ATOM 644 O ALA A 44 -3.369 4.254 4.239 1.00 0.47 O ATOM 645 CB ALA A 44 -6.541 4.629 4.154 1.00 0.51 C ATOM 0 H ALA A 44 -6.567 7.093 4.173 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.206 5.189 5.735 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.287 3.570 4.201 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.430 4.816 4.757 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.739 4.909 3.119 1.00 0.51 H new ATOM 651 N LEU A 45 -3.884 5.926 2.845 1.00 0.39 N ATOM 652 CA LEU A 45 -2.734 5.710 1.986 1.00 0.42 C ATOM 653 C LEU A 45 -1.464 6.048 2.741 1.00 0.41 C ATOM 654 O LEU A 45 -0.514 5.259 2.754 1.00 0.44 O ATOM 655 CB LEU A 45 -2.848 6.534 0.691 1.00 0.50 C ATOM 656 CG LEU A 45 -1.739 6.332 -0.348 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.710 4.889 -0.836 1.00 1.19 C ATOM 658 CD2 LEU A 45 -1.922 7.289 -1.517 1.00 0.90 C ATOM 0 H LEU A 45 -4.474 6.712 2.571 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.701 4.659 1.698 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -3.803 6.300 0.221 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -2.875 7.590 0.960 1.00 0.50 H new ATOM 0 HG LEU A 45 -0.783 6.548 0.128 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.915 4.770 -1.572 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.526 4.223 0.007 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.668 4.640 -1.293 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.126 7.131 -2.244 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -2.887 7.106 -1.990 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -1.885 8.317 -1.155 1.00 0.90 H new ATOM 670 N MET A 46 -1.476 7.186 3.430 1.00 0.42 N ATOM 671 CA MET A 46 -0.316 7.597 4.206 1.00 0.48 C ATOM 672 C MET A 46 -0.123 6.660 5.408 1.00 0.46 C ATOM 673 O MET A 46 0.988 6.327 5.769 1.00 0.53 O ATOM 674 CB MET A 46 -0.407 9.076 4.677 1.00 0.57 C ATOM 675 CG MET A 46 -1.441 9.373 5.754 1.00 0.58 C ATOM 676 SD MET A 46 -1.354 11.074 6.353 1.00 1.46 S ATOM 677 CE MET A 46 -2.656 11.071 7.586 1.00 1.78 C ATOM 0 H MET A 46 -2.266 7.830 3.466 1.00 0.42 H new ATOM 0 HA MET A 46 0.552 7.527 3.550 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.572 9.379 5.048 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.626 9.699 3.810 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.438 9.182 5.357 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.295 8.690 6.591 1.00 0.58 H new ATOM 0 HE1 MET A 46 -3.461 11.734 7.267 1.00 1.78 H new ATOM 0 HE2 MET A 46 -3.044 10.059 7.703 1.00 1.78 H new ATOM 0 HE3 MET A 46 -2.256 11.418 8.539 1.00 1.78 H new ATOM 687 N GLU A 47 -1.233 6.200 5.980 1.00 0.44 N ATOM 688 CA GLU A 47 -1.243 5.332 7.100 1.00 0.49 C ATOM 689 C GLU A 47 -0.620 3.978 6.751 1.00 0.47 C ATOM 690 O GLU A 47 0.174 3.423 7.534 1.00 0.51 O ATOM 691 CB GLU A 47 -2.679 5.202 7.546 1.00 0.54 C ATOM 692 CG GLU A 47 -2.935 4.107 8.471 1.00 0.78 C ATOM 693 CD GLU A 47 -4.328 4.141 8.994 1.00 1.06 C ATOM 694 OE1 GLU A 47 -5.255 3.736 8.268 1.00 1.88 O ATOM 695 OE2 GLU A 47 -4.535 4.561 10.133 1.00 1.03 O ATOM 0 H GLU A 47 -2.167 6.443 5.649 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.639 5.735 7.913 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -2.984 6.136 8.018 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -3.308 5.069 6.665 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.759 3.157 7.967 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -2.233 4.162 9.303 1.00 0.78 H new ATOM 702 N THR A 48 -0.979 3.467 5.585 1.00 0.45 N ATOM 703 CA THR A 48 -0.431 2.229 5.084 1.00 0.48 C ATOM 704 C THR A 48 1.089 2.389 4.913 1.00 0.44 C ATOM 705 O THR A 48 1.874 1.590 5.443 1.00 0.46 O ATOM 706 CB THR A 48 -1.080 1.872 3.723 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.518 1.790 3.868 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.559 0.543 3.214 1.00 0.65 C ATOM 0 H THR A 48 -1.659 3.903 4.963 1.00 0.45 H new ATOM 0 HA THR A 48 -0.640 1.425 5.790 1.00 0.48 H new ATOM 0 HB THR A 48 -0.823 2.654 3.008 1.00 0.54 H new ATOM 0 HG1 THR A 48 -2.887 2.691 3.979 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.027 0.311 2.257 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.522 0.601 3.084 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.796 -0.241 3.934 1.00 0.65 H new ATOM 716 N ALA A 49 1.483 3.441 4.197 1.00 0.45 N ATOM 717 CA ALA A 49 2.881 3.738 3.930 1.00 0.48 C ATOM 718 C ALA A 49 3.688 3.874 5.224 1.00 0.44 C ATOM 719 O ALA A 49 4.746 3.262 5.366 1.00 0.45 O ATOM 720 CB ALA A 49 2.993 5.005 3.115 1.00 0.57 C ATOM 0 H ALA A 49 0.834 4.112 3.786 1.00 0.45 H new ATOM 0 HA ALA A 49 3.297 2.903 3.365 1.00 0.48 H new ATOM 0 HB1 ALA A 49 4.044 5.220 2.919 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.467 4.877 2.169 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.550 5.833 3.668 1.00 0.57 H new ATOM 726 N ALA A 50 3.155 4.645 6.170 1.00 0.44 N ATOM 727 CA ALA A 50 3.794 4.888 7.459 1.00 0.46 C ATOM 728 C ALA A 50 4.077 3.594 8.202 1.00 0.44 C ATOM 729 O ALA A 50 5.164 3.419 8.774 1.00 0.44 O ATOM 730 CB ALA A 50 2.926 5.789 8.315 1.00 0.56 C ATOM 0 H ALA A 50 2.260 5.122 6.061 1.00 0.44 H new ATOM 0 HA ALA A 50 4.747 5.379 7.262 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.415 5.962 9.274 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.778 6.742 7.806 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.960 5.312 8.481 1.00 0.56 H new ATOM 736 N ARG A 51 3.112 2.690 8.170 1.00 0.46 N ATOM 737 CA ARG A 51 3.227 1.397 8.820 1.00 0.48 C ATOM 738 C ARG A 51 4.327 0.569 8.151 1.00 0.46 C ATOM 739 O ARG A 51 5.125 -0.098 8.822 1.00 0.49 O ATOM 740 CB ARG A 51 1.879 0.672 8.752 1.00 0.54 C ATOM 741 CG ARG A 51 1.853 -0.688 9.411 1.00 0.78 C ATOM 742 CD ARG A 51 0.470 -1.287 9.340 1.00 0.80 C ATOM 743 NE ARG A 51 0.403 -2.613 9.951 1.00 1.68 N ATOM 744 CZ ARG A 51 -0.730 -3.257 10.246 1.00 2.07 C ATOM 745 NH1 ARG A 51 -1.892 -2.609 10.214 1.00 1.80 N ATOM 746 NH2 ARG A 51 -0.694 -4.519 10.632 1.00 3.14 N ATOM 0 H ARG A 51 2.223 2.834 7.690 1.00 0.46 H new ATOM 0 HA ARG A 51 3.498 1.536 9.867 1.00 0.48 H new ATOM 0 HB2 ARG A 51 1.121 1.301 9.220 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.597 0.558 7.705 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.567 -1.349 8.920 1.00 0.78 H new ATOM 0 HG3 ARG A 51 2.164 -0.600 10.452 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.236 -0.624 9.840 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.160 -1.355 8.297 1.00 0.80 H new ATOM 0 HE ARG A 51 1.284 -3.080 10.168 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.918 -1.620 9.964 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -2.757 -3.101 10.439 1.00 1.80 H new ATOM 0 HH21 ARG A 51 0.200 -5.005 10.706 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -1.560 -5.009 10.857 1.00 3.14 H new ATOM 760 N LEU A 52 4.390 0.650 6.834 1.00 0.44 N ATOM 761 CA LEU A 52 5.394 -0.062 6.069 1.00 0.46 C ATOM 762 C LEU A 52 6.790 0.463 6.395 1.00 0.38 C ATOM 763 O LEU A 52 7.738 -0.322 6.546 1.00 0.40 O ATOM 764 CB LEU A 52 5.097 0.025 4.568 1.00 0.55 C ATOM 765 CG LEU A 52 3.773 -0.613 4.128 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.526 -0.387 2.651 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.761 -2.100 4.447 1.00 0.80 C ATOM 0 H LEU A 52 3.750 1.208 6.269 1.00 0.44 H new ATOM 0 HA LEU A 52 5.361 -1.115 6.350 1.00 0.46 H new ATOM 0 HB2 LEU A 52 5.091 1.075 4.275 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.911 -0.454 4.024 1.00 0.55 H new ATOM 0 HG LEU A 52 2.968 -0.133 4.685 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.581 -0.849 2.365 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.482 0.683 2.449 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.337 -0.832 2.074 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.813 -2.533 4.127 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.580 -2.591 3.922 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.881 -2.243 5.521 1.00 0.80 H new ATOM 779 N GLU A 53 6.900 1.786 6.542 1.00 0.35 N ATOM 780 CA GLU A 53 8.158 2.422 6.932 1.00 0.33 C ATOM 781 C GLU A 53 8.612 1.893 8.281 1.00 0.34 C ATOM 782 O GLU A 53 9.753 1.457 8.430 1.00 0.41 O ATOM 783 CB GLU A 53 8.016 3.936 7.052 1.00 0.34 C ATOM 784 CG GLU A 53 7.621 4.671 5.799 1.00 0.35 C ATOM 785 CD GLU A 53 7.616 6.158 6.032 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.659 6.680 6.625 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.611 6.826 5.689 1.00 0.49 O ATOM 0 H GLU A 53 6.129 2.438 6.396 1.00 0.35 H new ATOM 0 HA GLU A 53 8.885 2.189 6.154 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.275 4.150 7.822 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.965 4.342 7.402 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.315 4.427 4.994 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.632 4.345 5.477 1.00 0.35 H new ATOM 794 N SER A 54 7.696 1.907 9.242 1.00 0.36 N ATOM 795 CA SER A 54 7.982 1.487 10.598 1.00 0.43 C ATOM 796 C SER A 54 8.394 0.015 10.666 1.00 0.42 C ATOM 797 O SER A 54 9.352 -0.335 11.365 1.00 0.48 O ATOM 798 CB SER A 54 6.766 1.756 11.494 1.00 0.55 C ATOM 799 OG SER A 54 6.417 3.140 11.470 1.00 1.22 O ATOM 0 H SER A 54 6.733 2.212 9.097 1.00 0.36 H new ATOM 0 HA SER A 54 8.829 2.070 10.960 1.00 0.43 H new ATOM 0 HB2 SER A 54 5.920 1.157 11.157 1.00 0.55 H new ATOM 0 HB3 SER A 54 6.987 1.449 12.516 1.00 0.55 H new ATOM 0 HG SER A 54 5.990 3.355 10.614 1.00 1.22 H new ATOM 805 N ARG A 55 7.685 -0.836 9.938 1.00 0.44 N ATOM 806 CA ARG A 55 7.979 -2.255 9.944 1.00 0.51 C ATOM 807 C ARG A 55 9.318 -2.567 9.282 1.00 0.56 C ATOM 808 O ARG A 55 10.181 -3.191 9.880 1.00 0.64 O ATOM 809 CB ARG A 55 6.889 -3.072 9.247 1.00 0.60 C ATOM 810 CG ARG A 55 7.158 -4.572 9.321 1.00 0.77 C ATOM 811 CD ARG A 55 6.242 -5.376 8.432 1.00 0.95 C ATOM 812 NE ARG A 55 4.826 -5.241 8.762 1.00 1.51 N ATOM 813 CZ ARG A 55 3.839 -5.743 8.010 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.117 -6.337 6.846 1.00 1.87 N ATOM 815 NH2 ARG A 55 2.588 -5.634 8.412 1.00 2.88 N ATOM 0 H ARG A 55 6.905 -0.566 9.339 1.00 0.44 H new ATOM 0 HA ARG A 55 8.023 -2.538 10.996 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.925 -2.854 9.706 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.821 -2.768 8.203 1.00 0.60 H new ATOM 0 HG2 ARG A 55 8.193 -4.765 9.038 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.042 -4.907 10.352 1.00 0.77 H new ATOM 0 HD2 ARG A 55 6.394 -5.068 7.397 1.00 0.95 H new ATOM 0 HD3 ARG A 55 6.521 -6.428 8.496 1.00 0.95 H new ATOM 0 HE ARG A 55 4.575 -4.736 9.612 1.00 1.51 H new ATOM 0 HH11 ARG A 55 5.084 -6.409 6.528 1.00 1.87 H new ATOM 0 HH12 ARG A 55 3.363 -6.719 6.275 1.00 1.87 H new ATOM 0 HH21 ARG A 55 2.374 -5.168 9.294 1.00 2.88 H new ATOM 0 HH22 ARG A 55 1.834 -6.016 7.841 1.00 2.88 H new ATOM 829 N TYR A 56 9.491 -2.111 8.063 1.00 0.56 N ATOM 830 CA TYR A 56 10.641 -2.513 7.278 1.00 0.67 C ATOM 831 C TYR A 56 11.874 -1.683 7.532 1.00 0.70 C ATOM 832 O TYR A 56 12.976 -2.114 7.216 1.00 0.86 O ATOM 833 CB TYR A 56 10.293 -2.560 5.792 1.00 0.75 C ATOM 834 CG TYR A 56 9.186 -3.541 5.501 1.00 0.85 C ATOM 835 CD1 TYR A 56 9.372 -4.904 5.669 1.00 1.09 C ATOM 836 CD2 TYR A 56 7.961 -3.098 5.031 1.00 0.82 C ATOM 837 CE1 TYR A 56 8.366 -5.797 5.374 1.00 1.24 C ATOM 838 CE2 TYR A 56 6.958 -3.983 4.726 1.00 0.96 C ATOM 839 CZ TYR A 56 7.150 -5.354 5.039 1.00 1.17 C ATOM 840 OH TYR A 56 6.165 -6.205 4.572 1.00 1.33 O ATOM 0 H TYR A 56 8.856 -1.465 7.593 1.00 0.56 H new ATOM 0 HA TYR A 56 10.898 -3.519 7.610 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.994 -1.566 5.458 1.00 0.75 H new ATOM 0 HB3 TYR A 56 11.180 -2.834 5.221 1.00 0.75 H new ATOM 0 HD1 TYR A 56 10.319 -5.271 6.036 1.00 1.09 H new ATOM 0 HD2 TYR A 56 7.793 -2.039 4.903 1.00 0.82 H new ATOM 0 HE1 TYR A 56 8.560 -6.859 5.413 1.00 1.24 H new ATOM 0 HE2 TYR A 56 6.045 -3.645 4.259 1.00 0.96 H new ATOM 0 HH TYR A 56 5.352 -5.692 4.384 1.00 1.33 H new ATOM 850 N GLY A 57 11.708 -0.524 8.111 1.00 0.61 N ATOM 851 CA GLY A 57 12.844 0.324 8.359 1.00 0.68 C ATOM 852 C GLY A 57 13.260 1.023 7.098 1.00 0.72 C ATOM 853 O GLY A 57 14.406 0.908 6.647 1.00 0.91 O ATOM 0 H GLY A 57 10.810 -0.149 8.416 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.597 1.059 9.125 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.673 -0.271 8.743 1.00 0.68 H new ATOM 857 N VAL A 58 12.315 1.711 6.505 1.00 0.62 N ATOM 858 CA VAL A 58 12.528 2.435 5.271 1.00 0.65 C ATOM 859 C VAL A 58 11.923 3.817 5.407 1.00 0.57 C ATOM 860 O VAL A 58 11.231 4.081 6.387 1.00 0.50 O ATOM 861 CB VAL A 58 11.937 1.703 4.003 1.00 0.67 C ATOM 862 CG1 VAL A 58 12.551 0.329 3.833 1.00 0.81 C ATOM 863 CG2 VAL A 58 10.418 1.575 4.077 1.00 0.57 C ATOM 0 H VAL A 58 11.365 1.786 6.868 1.00 0.62 H new ATOM 0 HA VAL A 58 13.604 2.495 5.108 1.00 0.65 H new ATOM 0 HB VAL A 58 12.189 2.319 3.140 1.00 0.67 H new ATOM 0 HG11 VAL A 58 12.126 -0.153 2.952 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.630 0.425 3.709 1.00 0.81 H new ATOM 0 HG13 VAL A 58 12.340 -0.276 4.715 1.00 0.81 H new ATOM 0 HG21 VAL A 58 10.052 1.066 3.185 1.00 0.57 H new ATOM 0 HG22 VAL A 58 10.144 1.000 4.962 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.972 2.568 4.137 1.00 0.57 H new ATOM 873 N SER A 59 12.142 4.663 4.450 1.00 0.63 N ATOM 874 CA SER A 59 11.597 5.995 4.467 1.00 0.63 C ATOM 875 C SER A 59 10.957 6.287 3.131 1.00 0.62 C ATOM 876 O SER A 59 11.627 6.255 2.098 1.00 0.73 O ATOM 877 CB SER A 59 12.701 7.010 4.794 1.00 0.83 C ATOM 878 OG SER A 59 13.848 6.824 3.957 1.00 1.41 O ATOM 0 H SER A 59 12.707 4.453 3.627 1.00 0.63 H new ATOM 0 HA SER A 59 10.834 6.075 5.241 1.00 0.63 H new ATOM 0 HB2 SER A 59 12.316 8.022 4.666 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.992 6.909 5.840 1.00 0.83 H new ATOM 0 HG SER A 59 13.557 6.635 3.041 1.00 1.41 H new ATOM 884 N ILE A 60 9.672 6.502 3.142 1.00 0.52 N ATOM 885 CA ILE A 60 8.940 6.744 1.934 1.00 0.53 C ATOM 886 C ILE A 60 8.762 8.246 1.721 1.00 0.59 C ATOM 887 O ILE A 60 8.072 8.919 2.509 1.00 0.67 O ATOM 888 CB ILE A 60 7.559 6.038 1.951 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.743 4.528 2.185 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.829 6.282 0.634 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.449 3.748 2.285 1.00 0.55 C ATOM 0 H ILE A 60 9.104 6.514 3.989 1.00 0.52 H new ATOM 0 HA ILE A 60 9.515 6.328 1.106 1.00 0.53 H new ATOM 0 HB ILE A 60 6.961 6.450 2.764 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.339 4.116 1.370 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.313 4.382 3.102 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.861 5.782 0.657 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.681 7.353 0.493 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.423 5.886 -0.190 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.671 2.694 2.450 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.858 4.129 3.118 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.885 3.859 1.359 1.00 0.55 H new ATOM 903 N PRO A 61 9.402 8.799 0.677 1.00 0.62 N ATOM 904 CA PRO A 61 9.291 10.213 0.345 1.00 0.71 C ATOM 905 C PRO A 61 7.847 10.601 0.036 1.00 0.65 C ATOM 906 O PRO A 61 7.082 9.818 -0.546 1.00 0.57 O ATOM 907 CB PRO A 61 10.163 10.367 -0.910 1.00 0.78 C ATOM 908 CG PRO A 61 11.080 9.199 -0.876 1.00 0.77 C ATOM 909 CD PRO A 61 10.295 8.089 -0.252 1.00 0.64 C ATOM 0 HA PRO A 61 9.605 10.854 1.169 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.557 10.369 -1.816 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.716 11.306 -0.895 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.409 8.930 -1.880 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.975 9.420 -0.295 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.736 7.522 -0.996 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.940 7.381 0.269 1.00 0.64 H new ATOM 917 N ASP A 62 7.488 11.804 0.413 1.00 0.75 N ATOM 918 CA ASP A 62 6.127 12.342 0.241 1.00 0.78 C ATOM 919 C ASP A 62 5.714 12.392 -1.218 1.00 0.68 C ATOM 920 O ASP A 62 4.529 12.388 -1.539 1.00 0.67 O ATOM 921 CB ASP A 62 6.007 13.745 0.848 1.00 0.99 C ATOM 922 CG ASP A 62 6.282 13.773 2.328 1.00 1.34 C ATOM 923 OD1 ASP A 62 5.407 13.341 3.121 1.00 2.03 O ATOM 924 OD2 ASP A 62 7.348 14.233 2.730 1.00 1.88 O ATOM 0 H ASP A 62 8.131 12.460 0.857 1.00 0.75 H new ATOM 0 HA ASP A 62 5.457 11.661 0.766 1.00 0.78 H new ATOM 0 HB2 ASP A 62 6.703 14.414 0.342 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.004 14.130 0.663 1.00 0.99 H new ATOM 929 N ASP A 63 6.700 12.376 -2.095 1.00 0.67 N ATOM 930 CA ASP A 63 6.503 12.484 -3.547 1.00 0.67 C ATOM 931 C ASP A 63 5.885 11.208 -4.084 1.00 0.58 C ATOM 932 O ASP A 63 5.290 11.195 -5.162 1.00 0.60 O ATOM 933 CB ASP A 63 7.859 12.629 -4.256 1.00 0.85 C ATOM 934 CG ASP A 63 8.771 13.665 -3.667 1.00 1.44 C ATOM 935 OD1 ASP A 63 9.378 13.388 -2.610 1.00 2.23 O ATOM 936 OD2 ASP A 63 8.970 14.736 -4.280 1.00 1.95 O ATOM 0 H ASP A 63 7.679 12.287 -1.825 1.00 0.67 H new ATOM 0 HA ASP A 63 5.863 13.347 -3.729 1.00 0.67 H new ATOM 0 HB2 ASP A 63 8.368 11.665 -4.237 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.681 12.875 -5.303 1.00 0.85 H new ATOM 941 N VAL A 64 5.989 10.142 -3.310 1.00 0.60 N ATOM 942 CA VAL A 64 5.551 8.832 -3.743 1.00 0.64 C ATOM 943 C VAL A 64 4.032 8.728 -3.751 1.00 0.60 C ATOM 944 O VAL A 64 3.461 8.023 -4.582 1.00 0.58 O ATOM 945 CB VAL A 64 6.168 7.704 -2.859 1.00 0.84 C ATOM 946 CG1 VAL A 64 5.670 6.322 -3.265 1.00 0.97 C ATOM 947 CG2 VAL A 64 7.685 7.748 -2.936 1.00 0.98 C ATOM 0 H VAL A 64 6.378 10.162 -2.367 1.00 0.60 H new ATOM 0 HA VAL A 64 5.907 8.697 -4.764 1.00 0.64 H new ATOM 0 HB VAL A 64 5.847 7.884 -1.833 1.00 0.84 H new ATOM 0 HG11 VAL A 64 6.125 5.568 -2.623 1.00 0.97 H new ATOM 0 HG12 VAL A 64 4.586 6.281 -3.160 1.00 0.97 H new ATOM 0 HG13 VAL A 64 5.942 6.127 -4.302 1.00 0.97 H new ATOM 0 HG21 VAL A 64 8.104 6.956 -2.315 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.001 7.605 -3.969 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.040 8.715 -2.579 1.00 0.98 H new ATOM 957 N ALA A 65 3.384 9.511 -2.901 1.00 0.72 N ATOM 958 CA ALA A 65 1.928 9.471 -2.769 1.00 0.85 C ATOM 959 C ALA A 65 1.234 9.848 -4.071 1.00 0.80 C ATOM 960 O ALA A 65 0.151 9.355 -4.381 1.00 0.90 O ATOM 961 CB ALA A 65 1.471 10.365 -1.627 1.00 1.09 C ATOM 0 H ALA A 65 3.842 10.186 -2.288 1.00 0.72 H new ATOM 0 HA ALA A 65 1.643 8.445 -2.538 1.00 0.85 H new ATOM 0 HB1 ALA A 65 0.385 10.323 -1.544 1.00 1.09 H new ATOM 0 HB2 ALA A 65 1.920 10.022 -0.695 1.00 1.09 H new ATOM 0 HB3 ALA A 65 1.780 11.392 -1.823 1.00 1.09 H new ATOM 967 N GLY A 66 1.879 10.683 -4.847 1.00 0.73 N ATOM 968 CA GLY A 66 1.314 11.115 -6.087 1.00 0.81 C ATOM 969 C GLY A 66 1.938 10.442 -7.280 1.00 0.73 C ATOM 970 O GLY A 66 1.971 11.025 -8.366 1.00 0.92 O ATOM 0 H GLY A 66 2.797 11.074 -4.636 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.243 10.914 -6.082 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.436 12.194 -6.180 1.00 0.81 H new ATOM 974 N ARG A 67 2.488 9.253 -7.080 1.00 0.56 N ATOM 975 CA ARG A 67 3.058 8.476 -8.177 1.00 0.61 C ATOM 976 C ARG A 67 2.818 6.985 -7.958 1.00 0.58 C ATOM 977 O ARG A 67 3.523 6.130 -8.514 1.00 0.79 O ATOM 978 CB ARG A 67 4.555 8.792 -8.379 1.00 0.63 C ATOM 979 CG ARG A 67 5.439 8.493 -7.190 1.00 0.57 C ATOM 980 CD ARG A 67 6.871 8.947 -7.430 1.00 0.87 C ATOM 981 NE ARG A 67 6.988 10.407 -7.587 1.00 1.64 N ATOM 982 CZ ARG A 67 8.143 11.062 -7.753 1.00 2.30 C ATOM 983 NH1 ARG A 67 9.283 10.399 -7.877 1.00 2.40 N ATOM 984 NH2 ARG A 67 8.163 12.391 -7.803 1.00 3.30 N ATOM 0 H ARG A 67 2.553 8.802 -6.167 1.00 0.56 H new ATOM 0 HA ARG A 67 2.549 8.765 -9.097 1.00 0.61 H new ATOM 0 HB2 ARG A 67 4.918 8.223 -9.235 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.657 9.847 -8.632 1.00 0.63 H new ATOM 0 HG2 ARG A 67 5.042 8.992 -6.306 1.00 0.57 H new ATOM 0 HG3 ARG A 67 5.425 7.422 -6.986 1.00 0.57 H new ATOM 0 HD2 ARG A 67 7.494 8.625 -6.596 1.00 0.87 H new ATOM 0 HD3 ARG A 67 7.257 8.458 -8.324 1.00 0.87 H new ATOM 0 HE ARG A 67 6.129 10.957 -7.568 1.00 1.64 H new ATOM 0 HH11 ARG A 67 9.286 9.379 -7.846 1.00 2.40 H new ATOM 0 HH12 ARG A 67 10.158 10.908 -8.003 1.00 2.40 H new ATOM 0 HH21 ARG A 67 7.294 12.918 -7.715 1.00 3.30 H new ATOM 0 HH22 ARG A 67 9.047 12.883 -7.930 1.00 3.30 H new ATOM 998 N VAL A 68 1.788 6.687 -7.181 1.00 0.45 N ATOM 999 CA VAL A 68 1.350 5.325 -6.912 1.00 0.45 C ATOM 1000 C VAL A 68 -0.189 5.321 -6.821 1.00 0.46 C ATOM 1001 O VAL A 68 -0.798 5.632 -5.798 1.00 0.53 O ATOM 1002 CB VAL A 68 2.031 4.644 -5.630 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.529 4.469 -5.815 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.780 5.385 -4.328 1.00 0.85 C ATOM 0 H VAL A 68 1.224 7.396 -6.712 1.00 0.45 H new ATOM 0 HA VAL A 68 1.685 4.700 -7.740 1.00 0.45 H new ATOM 0 HB VAL A 68 1.548 3.670 -5.552 1.00 0.53 H new ATOM 0 HG11 VAL A 68 3.954 4.005 -4.925 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.717 3.834 -6.681 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.992 5.443 -5.972 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.274 4.861 -3.510 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.178 6.397 -4.403 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.708 5.430 -4.136 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.795 5.090 -7.957 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.248 5.102 -8.093 1.00 0.53 C ATOM 1016 C ASP A 69 -2.758 3.701 -7.897 1.00 0.42 C ATOM 1017 O ASP A 69 -3.887 3.472 -7.412 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.658 5.558 -9.497 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.242 6.966 -9.874 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -3.019 7.916 -9.653 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -1.157 7.135 -10.482 1.00 2.04 O ATOM 0 H ASP A 69 -0.301 4.886 -8.825 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.663 5.787 -7.354 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.233 4.866 -10.223 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.742 5.483 -9.582 1.00 0.71 H new ATOM 1026 N THR A 70 -1.939 2.769 -8.302 1.00 0.35 N ATOM 1027 CA THR A 70 -2.217 1.380 -8.161 1.00 0.29 C ATOM 1028 C THR A 70 -1.227 0.772 -7.163 1.00 0.26 C ATOM 1029 O THR A 70 -0.070 1.242 -7.062 1.00 0.29 O ATOM 1030 CB THR A 70 -2.116 0.649 -9.533 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.823 0.877 -10.125 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.199 1.129 -10.493 1.00 0.39 C ATOM 0 H THR A 70 -1.043 2.966 -8.748 1.00 0.35 H new ATOM 0 HA THR A 70 -3.235 1.257 -7.792 1.00 0.29 H new ATOM 0 HB THR A 70 -2.255 -0.417 -9.352 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.603 1.830 -10.072 1.00 0.50 H new ATOM 0 HG21 THR A 70 -3.104 0.602 -11.442 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.181 0.929 -10.064 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.088 2.200 -10.661 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.654 -0.246 -6.385 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.787 -0.936 -5.414 1.00 0.31 C ATOM 1042 C PRO A 71 0.480 -1.499 -6.058 1.00 0.32 C ATOM 1043 O PRO A 71 1.511 -1.629 -5.400 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.671 -2.067 -4.897 1.00 0.34 C ATOM 1045 CG PRO A 71 -3.054 -1.561 -5.075 1.00 0.34 C ATOM 1046 CD PRO A 71 -3.029 -0.774 -6.347 1.00 0.30 C ATOM 0 HA PRO A 71 -0.431 -0.262 -4.635 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.509 -2.987 -5.458 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.460 -2.290 -3.851 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.768 -2.382 -5.135 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.356 -0.938 -4.233 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.245 -1.400 -7.213 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.768 0.027 -6.340 1.00 0.30 H new ATOM 1054 N ARG A 72 0.381 -1.810 -7.353 1.00 0.32 N ATOM 1055 CA ARG A 72 1.492 -2.310 -8.177 1.00 0.38 C ATOM 1056 C ARG A 72 2.731 -1.430 -7.984 1.00 0.35 C ATOM 1057 O ARG A 72 3.826 -1.910 -7.685 1.00 0.36 O ATOM 1058 CB ARG A 72 1.085 -2.216 -9.646 1.00 0.45 C ATOM 1059 CG ARG A 72 2.056 -2.858 -10.622 1.00 0.88 C ATOM 1060 CD ARG A 72 1.995 -2.172 -11.982 1.00 0.81 C ATOM 1061 NE ARG A 72 0.627 -2.043 -12.498 1.00 0.86 N ATOM 1062 CZ ARG A 72 0.131 -0.938 -13.106 1.00 1.05 C ATOM 1063 NH1 ARG A 72 0.897 0.149 -13.289 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.117 -0.923 -13.539 1.00 1.55 N ATOM 0 H ARG A 72 -0.492 -1.720 -7.872 1.00 0.32 H new ATOM 0 HA ARG A 72 1.716 -3.337 -7.887 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.108 -2.684 -9.768 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.970 -1.165 -9.909 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.069 -2.798 -10.225 1.00 0.88 H new ATOM 0 HG3 ARG A 72 1.819 -3.916 -10.733 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.443 -1.181 -11.904 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.595 -2.737 -12.695 1.00 0.81 H new ATOM 0 HE ARG A 72 0.004 -2.844 -12.391 1.00 0.86 H new ATOM 0 HH11 ARG A 72 1.865 0.150 -12.969 1.00 1.48 H new ATOM 0 HH12 ARG A 72 0.511 0.974 -13.748 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.709 -1.744 -13.416 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.488 -0.090 -13.996 1.00 1.55 H new ATOM 1078 N GLU A 73 2.507 -0.143 -8.129 1.00 0.34 N ATOM 1079 CA GLU A 73 3.532 0.880 -8.072 1.00 0.36 C ATOM 1080 C GLU A 73 4.118 1.002 -6.665 1.00 0.32 C ATOM 1081 O GLU A 73 5.337 1.172 -6.488 1.00 0.35 O ATOM 1082 CB GLU A 73 2.907 2.192 -8.505 1.00 0.42 C ATOM 1083 CG GLU A 73 2.231 2.099 -9.856 1.00 0.60 C ATOM 1084 CD GLU A 73 1.440 3.323 -10.202 1.00 1.37 C ATOM 1085 OE1 GLU A 73 0.235 3.374 -9.885 1.00 2.18 O ATOM 1086 OE2 GLU A 73 1.986 4.231 -10.839 1.00 1.78 O ATOM 0 H GLU A 73 1.574 0.235 -8.296 1.00 0.34 H new ATOM 0 HA GLU A 73 4.354 0.613 -8.737 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.177 2.506 -7.759 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.677 2.962 -8.541 1.00 0.42 H new ATOM 0 HG2 GLU A 73 2.987 1.933 -10.623 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.571 1.232 -9.866 1.00 0.60 H new ATOM 1093 N LEU A 74 3.246 0.907 -5.669 1.00 0.31 N ATOM 1094 CA LEU A 74 3.641 1.022 -4.269 1.00 0.32 C ATOM 1095 C LEU A 74 4.506 -0.185 -3.884 1.00 0.30 C ATOM 1096 O LEU A 74 5.487 -0.051 -3.146 1.00 0.31 O ATOM 1097 CB LEU A 74 2.362 1.167 -3.375 1.00 0.36 C ATOM 1098 CG LEU A 74 2.527 1.527 -1.863 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.060 0.370 -1.037 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.417 2.756 -1.697 1.00 0.44 C ATOM 0 H LEU A 74 2.248 0.749 -5.807 1.00 0.31 H new ATOM 0 HA LEU A 74 4.245 1.915 -4.110 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.730 1.931 -3.827 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.814 0.226 -3.431 1.00 0.36 H new ATOM 0 HG LEU A 74 1.530 1.752 -1.484 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.154 0.679 0.004 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.372 -0.473 -1.105 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.037 0.072 -1.416 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.520 2.991 -0.637 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.401 2.553 -2.121 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.967 3.603 -2.214 1.00 0.44 H new ATOM 1112 N LEU A 75 4.147 -1.343 -4.427 1.00 0.29 N ATOM 1113 CA LEU A 75 4.867 -2.594 -4.210 1.00 0.30 C ATOM 1114 C LEU A 75 6.342 -2.429 -4.580 1.00 0.29 C ATOM 1115 O LEU A 75 7.236 -2.746 -3.781 1.00 0.30 O ATOM 1116 CB LEU A 75 4.237 -3.703 -5.064 1.00 0.33 C ATOM 1117 CG LEU A 75 4.793 -5.110 -4.874 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.519 -5.596 -3.466 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.196 -6.062 -5.895 1.00 0.45 C ATOM 0 H LEU A 75 3.337 -1.441 -5.039 1.00 0.29 H new ATOM 0 HA LEU A 75 4.800 -2.864 -3.156 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.168 -3.728 -4.855 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.350 -3.431 -6.113 1.00 0.33 H new ATOM 0 HG LEU A 75 5.872 -5.081 -5.026 1.00 0.37 H new ATOM 0 HD11 LEU A 75 4.921 -6.602 -3.344 1.00 0.41 H new ATOM 0 HD12 LEU A 75 4.995 -4.925 -2.751 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.444 -5.611 -3.289 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.605 -7.061 -5.744 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.113 -6.091 -5.776 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.441 -5.718 -6.900 1.00 0.45 H new ATOM 1131 N ASP A 76 6.583 -1.900 -5.784 1.00 0.31 N ATOM 1132 CA ASP A 76 7.951 -1.650 -6.271 1.00 0.34 C ATOM 1133 C ASP A 76 8.700 -0.711 -5.368 1.00 0.32 C ATOM 1134 O ASP A 76 9.888 -0.897 -5.135 1.00 0.34 O ATOM 1135 CB ASP A 76 7.992 -1.091 -7.695 1.00 0.45 C ATOM 1136 CG ASP A 76 7.463 -2.032 -8.729 1.00 0.78 C ATOM 1137 OD1 ASP A 76 8.063 -3.101 -8.919 1.00 0.90 O ATOM 1138 OD2 ASP A 76 6.425 -1.739 -9.357 1.00 1.25 O ATOM 0 H ASP A 76 5.850 -1.635 -6.442 1.00 0.31 H new ATOM 0 HA ASP A 76 8.432 -2.628 -6.272 1.00 0.34 H new ATOM 0 HB2 ASP A 76 7.415 -0.167 -7.729 1.00 0.45 H new ATOM 0 HB3 ASP A 76 9.021 -0.833 -7.945 1.00 0.45 H new ATOM 1143 N LEU A 77 7.996 0.290 -4.833 1.00 0.32 N ATOM 1144 CA LEU A 77 8.619 1.281 -3.975 1.00 0.36 C ATOM 1145 C LEU A 77 9.170 0.603 -2.720 1.00 0.34 C ATOM 1146 O LEU A 77 10.321 0.823 -2.342 1.00 0.40 O ATOM 1147 CB LEU A 77 7.590 2.408 -3.643 1.00 0.41 C ATOM 1148 CG LEU A 77 8.079 3.667 -2.880 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.358 3.399 -1.404 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.308 4.245 -3.554 1.00 1.35 C ATOM 0 H LEU A 77 6.997 0.429 -4.983 1.00 0.32 H new ATOM 0 HA LEU A 77 9.460 1.749 -4.486 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.152 2.742 -4.583 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.787 1.959 -3.058 1.00 0.41 H new ATOM 0 HG LEU A 77 7.267 4.393 -2.917 1.00 0.53 H new ATOM 0 HD11 LEU A 77 8.697 4.318 -0.925 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.446 3.052 -0.919 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.131 2.636 -1.313 1.00 0.94 H new ATOM 0 HD21 LEU A 77 9.641 5.128 -3.008 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.104 3.500 -3.559 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.064 4.523 -4.579 1.00 1.35 H new ATOM 1162 N ILE A 78 8.370 -0.259 -2.123 1.00 0.30 N ATOM 1163 CA ILE A 78 8.775 -0.971 -0.921 1.00 0.32 C ATOM 1164 C ILE A 78 9.916 -1.929 -1.242 1.00 0.33 C ATOM 1165 O ILE A 78 10.953 -1.911 -0.581 1.00 0.39 O ATOM 1166 CB ILE A 78 7.582 -1.755 -0.301 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.442 -0.793 0.070 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.025 -2.561 0.927 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.842 0.292 1.057 1.00 0.42 C ATOM 0 H ILE A 78 7.431 -0.486 -2.451 1.00 0.30 H new ATOM 0 HA ILE A 78 9.114 -0.236 -0.191 1.00 0.32 H new ATOM 0 HB ILE A 78 7.217 -2.458 -1.050 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.068 -0.322 -0.839 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.619 -1.368 0.493 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.170 -3.098 1.338 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.795 -3.275 0.635 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.425 -1.884 1.682 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.982 0.928 1.267 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.187 -0.168 1.983 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.644 0.895 0.630 1.00 0.42 H new ATOM 1181 N ASN A 79 9.737 -2.729 -2.278 1.00 0.33 N ATOM 1182 CA ASN A 79 10.736 -3.726 -2.675 1.00 0.38 C ATOM 1183 C ASN A 79 12.068 -3.107 -3.068 1.00 0.38 C ATOM 1184 O ASN A 79 13.139 -3.696 -2.805 1.00 0.42 O ATOM 1185 CB ASN A 79 10.205 -4.637 -3.787 1.00 0.46 C ATOM 1186 CG ASN A 79 9.195 -5.633 -3.271 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.276 -6.052 -2.130 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.244 -6.013 -4.087 1.00 0.82 N ATOM 0 H ASN A 79 8.905 -2.713 -2.868 1.00 0.33 H new ATOM 0 HA ASN A 79 10.924 -4.336 -1.792 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.747 -4.028 -4.566 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.037 -5.170 -4.247 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.540 -6.681 -3.774 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.207 -5.641 -5.036 1.00 0.82 H new ATOM 1195 N GLY A 80 12.014 -1.944 -3.684 1.00 0.38 N ATOM 1196 CA GLY A 80 13.213 -1.232 -4.050 1.00 0.46 C ATOM 1197 C GLY A 80 13.914 -0.662 -2.834 1.00 0.50 C ATOM 1198 O GLY A 80 15.150 -0.709 -2.731 1.00 0.62 O ATOM 0 H GLY A 80 11.147 -1.473 -3.941 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.889 -1.904 -4.579 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.962 -0.425 -4.738 1.00 0.46 H new ATOM 1202 N ALA A 81 13.126 -0.176 -1.883 1.00 0.47 N ATOM 1203 CA ALA A 81 13.663 0.382 -0.655 1.00 0.57 C ATOM 1204 C ALA A 81 14.248 -0.727 0.219 1.00 0.62 C ATOM 1205 O ALA A 81 15.266 -0.530 0.887 1.00 0.80 O ATOM 1206 CB ALA A 81 12.588 1.156 0.097 1.00 0.59 C ATOM 0 H ALA A 81 12.108 -0.159 -1.942 1.00 0.47 H new ATOM 0 HA ALA A 81 14.463 1.077 -0.909 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.010 1.567 1.014 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.220 1.969 -0.529 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.764 0.487 0.344 1.00 0.59 H new ATOM 1212 N LEU A 82 13.612 -1.893 0.193 1.00 0.54 N ATOM 1213 CA LEU A 82 14.109 -3.068 0.901 1.00 0.61 C ATOM 1214 C LEU A 82 15.477 -3.471 0.376 1.00 0.74 C ATOM 1215 O LEU A 82 16.372 -3.752 1.145 1.00 0.89 O ATOM 1216 CB LEU A 82 13.129 -4.243 0.780 1.00 0.54 C ATOM 1217 CG LEU A 82 11.796 -4.088 1.511 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.882 -5.264 1.209 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.037 -3.983 3.006 1.00 0.68 C ATOM 0 H LEU A 82 12.742 -2.051 -0.316 1.00 0.54 H new ATOM 0 HA LEU A 82 14.201 -2.807 1.955 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.923 -4.409 -0.277 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.622 -5.140 1.154 1.00 0.54 H new ATOM 0 HG LEU A 82 11.310 -3.176 1.163 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.938 -5.136 1.738 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.693 -5.312 0.137 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.359 -6.188 1.535 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.083 -3.873 3.521 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.538 -4.885 3.358 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.664 -3.116 3.213 1.00 0.68 H new