USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 538 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 71:sc= 1.74 USER MOD Set 1.2: A 48 THR OG1 : rot -24:sc= 0.517 USER MOD Single : A 6 THR OG1 : rot -65:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 40 TYR OH : rot 54:sc= -2.19! USER MOD Single : A 42 SER OG : rot 180:sc= -0.241 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0847 USER MOD Single : A 59 SER OG : rot 40:sc= 0.0785 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00666 USER MOD Single : A 79 ASN : amide:sc= -0.0309 K(o=-0.031,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.015 7.438 1.288 1.00 0.91 N ATOM 45 CA LEU A 4 10.916 6.676 1.803 1.00 0.65 C ATOM 46 C LEU A 4 9.596 7.314 1.448 1.00 0.63 C ATOM 47 O LEU A 4 9.538 8.477 1.023 1.00 0.84 O ATOM 48 CB LEU A 4 11.035 6.510 3.317 1.00 0.62 C ATOM 49 CG LEU A 4 12.333 5.876 3.824 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.271 5.666 5.321 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.622 4.564 3.107 1.00 0.51 C ATOM 0 HA LEU A 4 10.951 5.689 1.341 1.00 0.65 H new ATOM 0 HB2 LEU A 4 10.929 7.491 3.779 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.198 5.903 3.663 1.00 0.62 H new ATOM 0 HG LEU A 4 13.151 6.562 3.605 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.202 5.215 5.664 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.129 6.626 5.817 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.438 5.006 5.562 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.550 4.138 3.488 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.803 3.866 3.281 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.720 4.748 2.037 1.00 0.51 H new ATOM 63 N LEU A 5 8.557 6.565 1.618 1.00 0.44 N ATOM 64 CA LEU A 5 7.238 7.000 1.315 1.00 0.40 C ATOM 65 C LEU A 5 6.566 7.473 2.569 1.00 0.35 C ATOM 66 O LEU A 5 6.637 6.811 3.615 1.00 0.41 O ATOM 67 CB LEU A 5 6.426 5.849 0.733 1.00 0.41 C ATOM 68 CG LEU A 5 6.966 5.204 -0.528 1.00 0.59 C ATOM 69 CD1 LEU A 5 6.046 4.081 -0.972 1.00 0.72 C ATOM 70 CD2 LEU A 5 7.121 6.236 -1.622 1.00 0.81 C ATOM 0 H LEU A 5 8.605 5.612 1.980 1.00 0.44 H new ATOM 0 HA LEU A 5 7.296 7.811 0.589 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.334 5.077 1.497 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.420 6.213 0.525 1.00 0.41 H new ATOM 0 HG LEU A 5 7.949 4.783 -0.317 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.442 3.623 -1.879 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.982 3.330 -0.185 1.00 0.72 H new ATOM 0 HD13 LEU A 5 5.052 4.482 -1.172 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.510 5.758 -2.521 1.00 0.81 H new ATOM 0 HD22 LEU A 5 6.151 6.684 -1.840 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.814 7.011 -1.295 1.00 0.81 H new ATOM 82 N THR A 6 5.930 8.599 2.482 1.00 0.37 N ATOM 83 CA THR A 6 5.181 9.108 3.580 1.00 0.42 C ATOM 84 C THR A 6 3.713 8.762 3.368 1.00 0.35 C ATOM 85 O THR A 6 3.377 8.060 2.390 1.00 0.34 O ATOM 86 CB THR A 6 5.354 10.642 3.724 1.00 0.59 C ATOM 87 OG1 THR A 6 4.972 11.299 2.489 1.00 0.65 O ATOM 88 CG2 THR A 6 6.795 10.998 4.065 1.00 0.72 C ATOM 0 H THR A 6 5.917 9.187 1.649 1.00 0.37 H new ATOM 0 HA THR A 6 5.548 8.653 4.500 1.00 0.42 H new ATOM 0 HB THR A 6 4.711 10.983 4.535 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.593 11.042 1.776 1.00 0.65 H new ATOM 0 HG21 THR A 6 6.890 12.080 4.161 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.074 10.525 5.007 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.454 10.645 3.272 1.00 0.72 H new ATOM 96 N THR A 7 2.857 9.239 4.243 1.00 0.40 N ATOM 97 CA THR A 7 1.432 9.066 4.115 1.00 0.43 C ATOM 98 C THR A 7 0.977 9.604 2.753 1.00 0.41 C ATOM 99 O THR A 7 0.289 8.918 2.022 1.00 0.43 O ATOM 100 CB THR A 7 0.689 9.799 5.250 1.00 0.58 C ATOM 101 OG1 THR A 7 1.209 9.365 6.529 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.808 9.504 5.192 1.00 0.66 C ATOM 0 H THR A 7 3.136 9.764 5.072 1.00 0.40 H new ATOM 0 HA THR A 7 1.196 8.004 4.186 1.00 0.43 H new ATOM 0 HB THR A 7 0.843 10.871 5.129 1.00 0.58 H new ATOM 0 HG1 THR A 7 0.737 9.833 7.250 1.00 0.69 H new ATOM 0 HG21 THR A 7 -1.314 10.030 6.001 1.00 0.66 H new ATOM 0 HG22 THR A 7 -1.208 9.839 4.235 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.972 8.432 5.298 1.00 0.66 H new ATOM 110 N ASP A 8 1.414 10.823 2.416 1.00 0.44 N ATOM 111 CA ASP A 8 1.049 11.474 1.143 1.00 0.51 C ATOM 112 C ASP A 8 1.482 10.646 -0.062 1.00 0.47 C ATOM 113 O ASP A 8 0.775 10.596 -1.077 1.00 0.52 O ATOM 114 CB ASP A 8 1.635 12.890 1.027 1.00 0.63 C ATOM 115 CG ASP A 8 1.135 13.836 2.088 1.00 1.46 C ATOM 116 OD1 ASP A 8 -0.063 14.148 2.110 1.00 1.63 O ATOM 117 OD2 ASP A 8 1.930 14.256 2.939 1.00 2.38 O ATOM 0 H ASP A 8 2.025 11.385 3.009 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.038 11.549 1.147 1.00 0.51 H new ATOM 0 HB2 ASP A 8 2.722 12.831 1.087 1.00 0.63 H new ATOM 0 HB3 ASP A 8 1.392 13.296 0.045 1.00 0.63 H new ATOM 122 N ASP A 9 2.637 10.001 0.048 1.00 0.45 N ATOM 123 CA ASP A 9 3.158 9.148 -1.034 1.00 0.49 C ATOM 124 C ASP A 9 2.295 7.921 -1.187 1.00 0.47 C ATOM 125 O ASP A 9 1.831 7.602 -2.278 1.00 0.56 O ATOM 126 CB ASP A 9 4.598 8.677 -0.773 1.00 0.60 C ATOM 127 CG ASP A 9 5.642 9.756 -0.813 1.00 1.11 C ATOM 128 OD1 ASP A 9 6.136 10.078 -1.924 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.964 10.331 0.248 1.00 2.00 O ATOM 0 H ASP A 9 3.237 10.047 0.872 1.00 0.45 H new ATOM 0 HA ASP A 9 3.146 9.757 -1.938 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.634 8.195 0.204 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.854 7.918 -1.512 1.00 0.60 H new ATOM 134 N LEU A 10 2.067 7.254 -0.073 1.00 0.42 N ATOM 135 CA LEU A 10 1.300 6.021 -0.026 1.00 0.44 C ATOM 136 C LEU A 10 -0.153 6.275 -0.418 1.00 0.42 C ATOM 137 O LEU A 10 -0.773 5.459 -1.100 1.00 0.50 O ATOM 138 CB LEU A 10 1.356 5.450 1.390 1.00 0.45 C ATOM 139 CG LEU A 10 0.673 4.103 1.615 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.410 2.985 0.893 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.551 3.808 3.094 1.00 0.80 C ATOM 0 H LEU A 10 2.413 7.556 0.838 1.00 0.42 H new ATOM 0 HA LEU A 10 1.729 5.310 -0.732 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.403 5.352 1.676 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.907 6.176 2.068 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.331 4.159 1.195 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.900 2.038 1.072 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.426 3.192 -0.177 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.432 2.923 1.266 1.00 0.66 H new ATOM 0 HD21 LEU A 10 0.062 2.844 3.234 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.544 3.779 3.542 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.041 4.588 3.573 1.00 0.80 H new ATOM 153 N ARG A 11 -0.665 7.430 0.008 1.00 0.40 N ATOM 154 CA ARG A 11 -2.043 7.865 -0.237 1.00 0.41 C ATOM 155 C ARG A 11 -2.354 7.802 -1.713 1.00 0.40 C ATOM 156 O ARG A 11 -3.428 7.357 -2.104 1.00 0.42 O ATOM 157 CB ARG A 11 -2.243 9.298 0.269 1.00 0.48 C ATOM 158 CG ARG A 11 -3.692 9.678 0.517 1.00 0.58 C ATOM 159 CD ARG A 11 -3.818 11.125 0.946 1.00 0.72 C ATOM 160 NE ARG A 11 -3.605 12.028 -0.178 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.516 13.349 -0.116 1.00 1.74 C ATOM 162 NH1 ARG A 11 -3.331 13.968 1.044 1.00 2.01 N ATOM 163 NH2 ARG A 11 -3.548 14.040 -1.239 1.00 2.57 N ATOM 0 H ARG A 11 -0.122 8.106 0.545 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.718 7.198 0.300 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.683 9.425 1.195 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.818 9.990 -0.458 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.273 9.514 -0.390 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.113 9.031 1.286 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -4.807 11.296 1.371 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -3.092 11.339 1.731 1.00 0.72 H new ATOM 0 HE ARG A 11 -3.516 11.603 -1.101 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -3.255 13.426 1.905 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -3.265 14.985 1.074 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -3.640 13.557 -2.133 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -3.481 15.057 -1.214 1.00 2.57 H new ATOM 177 N ARG A 12 -1.372 8.204 -2.520 1.00 0.43 N ATOM 178 CA ARG A 12 -1.495 8.196 -3.971 1.00 0.49 C ATOM 179 C ARG A 12 -1.833 6.822 -4.473 1.00 0.49 C ATOM 180 O ARG A 12 -2.777 6.656 -5.192 1.00 0.59 O ATOM 181 CB ARG A 12 -0.211 8.682 -4.633 1.00 0.64 C ATOM 182 CG ARG A 12 0.099 10.116 -4.333 1.00 0.85 C ATOM 183 CD ARG A 12 1.413 10.560 -4.942 1.00 1.00 C ATOM 184 NE ARG A 12 1.589 12.009 -4.795 1.00 1.77 N ATOM 185 CZ ARG A 12 2.670 12.624 -4.297 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.756 11.939 -3.985 1.00 2.51 N ATOM 187 NH2 ARG A 12 2.678 13.941 -4.152 1.00 3.48 N ATOM 0 H ARG A 12 -0.471 8.543 -2.183 1.00 0.43 H new ATOM 0 HA ARG A 12 -2.304 8.877 -4.234 1.00 0.49 H new ATOM 0 HB2 ARG A 12 0.620 8.060 -4.301 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.294 8.553 -5.712 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -0.706 10.746 -4.712 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.135 10.259 -3.253 1.00 0.85 H new ATOM 0 HD2 ARG A 12 2.239 10.037 -4.459 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.440 10.291 -5.998 1.00 1.00 H new ATOM 0 HE ARG A 12 0.818 12.603 -5.100 1.00 1.77 H new ATOM 0 HH11 ARG A 12 3.779 10.929 -4.122 1.00 2.51 H new ATOM 0 HH12 ARG A 12 4.572 12.421 -3.607 1.00 2.51 H new ATOM 0 HH21 ARG A 12 1.860 14.489 -4.420 1.00 3.48 H new ATOM 0 HH22 ARG A 12 3.502 14.407 -3.773 1.00 3.48 H new ATOM 201 N ALA A 13 -1.091 5.838 -4.007 1.00 0.50 N ATOM 202 CA ALA A 13 -1.261 4.449 -4.440 1.00 0.59 C ATOM 203 C ALA A 13 -2.608 3.883 -4.012 1.00 0.55 C ATOM 204 O ALA A 13 -3.281 3.182 -4.788 1.00 0.65 O ATOM 205 CB ALA A 13 -0.154 3.597 -3.889 1.00 0.70 C ATOM 0 H ALA A 13 -0.351 5.969 -3.317 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.225 4.438 -5.529 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.290 2.567 -4.217 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.805 3.969 -4.250 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.172 3.636 -2.800 1.00 0.70 H new ATOM 211 N LEU A 14 -3.001 4.189 -2.797 1.00 0.47 N ATOM 212 CA LEU A 14 -4.268 3.730 -2.278 1.00 0.48 C ATOM 213 C LEU A 14 -5.429 4.355 -3.035 1.00 0.53 C ATOM 214 O LEU A 14 -6.339 3.668 -3.457 1.00 0.70 O ATOM 215 CB LEU A 14 -4.387 3.966 -0.761 1.00 0.48 C ATOM 216 CG LEU A 14 -3.748 2.907 0.175 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.338 1.527 -0.066 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.242 2.872 0.052 1.00 0.92 C ATOM 0 H LEU A 14 -2.458 4.757 -2.147 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.313 2.652 -2.434 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -3.937 4.933 -0.534 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.446 4.041 -0.513 1.00 0.48 H new ATOM 0 HG LEU A 14 -3.986 3.207 1.196 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.869 0.808 0.606 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.411 1.552 0.122 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.158 1.229 -1.099 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.839 2.116 0.726 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -1.966 2.628 -0.974 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -1.833 3.847 0.315 1.00 0.92 H new ATOM 230 N VAL A 15 -5.401 5.649 -3.207 1.00 0.49 N ATOM 231 CA VAL A 15 -6.421 6.321 -3.987 1.00 0.60 C ATOM 232 C VAL A 15 -6.395 5.841 -5.473 1.00 0.66 C ATOM 233 O VAL A 15 -7.450 5.627 -6.090 1.00 0.87 O ATOM 234 CB VAL A 15 -6.325 7.867 -3.836 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.343 8.585 -4.700 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.551 8.233 -2.382 1.00 0.84 C ATOM 0 H VAL A 15 -4.686 6.265 -2.820 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.398 6.043 -3.592 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.334 8.180 -4.164 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.241 9.662 -4.564 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.173 8.334 -5.747 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.348 8.276 -4.411 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.486 9.315 -2.265 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.539 7.893 -2.071 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.791 7.755 -1.764 1.00 0.84 H new ATOM 246 N GLU A 16 -5.179 5.611 -5.985 1.00 0.64 N ATOM 247 CA GLU A 16 -4.898 5.136 -7.367 1.00 0.77 C ATOM 248 C GLU A 16 -5.591 3.800 -7.678 1.00 0.70 C ATOM 249 O GLU A 16 -6.123 3.602 -8.780 1.00 0.81 O ATOM 250 CB GLU A 16 -3.368 4.968 -7.528 1.00 0.95 C ATOM 251 CG GLU A 16 -2.866 4.500 -8.881 1.00 1.63 C ATOM 252 CD GLU A 16 -3.204 5.450 -9.986 1.00 1.66 C ATOM 253 OE1 GLU A 16 -2.589 6.518 -10.063 1.00 1.92 O ATOM 254 OE2 GLU A 16 -4.082 5.140 -10.805 1.00 2.10 O ATOM 0 H GLU A 16 -4.329 5.752 -5.440 1.00 0.64 H new ATOM 0 HA GLU A 16 -5.290 5.875 -8.066 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -2.897 5.925 -7.304 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.024 4.259 -6.775 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -1.785 4.371 -8.837 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -3.295 3.523 -9.104 1.00 1.63 H new ATOM 261 N SER A 17 -5.603 2.900 -6.713 1.00 0.58 N ATOM 262 CA SER A 17 -6.158 1.569 -6.925 1.00 0.61 C ATOM 263 C SER A 17 -7.695 1.601 -6.898 1.00 0.69 C ATOM 264 O SER A 17 -8.361 0.642 -7.284 1.00 0.82 O ATOM 265 CB SER A 17 -5.591 0.604 -5.886 1.00 0.57 C ATOM 266 OG SER A 17 -4.173 0.734 -5.828 1.00 1.00 O ATOM 0 H SER A 17 -5.236 3.062 -5.775 1.00 0.58 H new ATOM 0 HA SER A 17 -5.868 1.215 -7.914 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.025 0.813 -4.908 1.00 0.57 H new ATOM 0 HB3 SER A 17 -5.861 -0.420 -6.142 1.00 0.57 H new ATOM 0 HG SER A 17 -3.940 1.591 -5.414 1.00 1.00 H new ATOM 400 N ASP A 29 -8.051 10.038 4.862 1.00 0.68 N ATOM 401 CA ASP A 29 -7.687 9.230 6.026 1.00 0.75 C ATOM 402 C ASP A 29 -7.976 7.767 5.762 1.00 0.61 C ATOM 403 O ASP A 29 -9.105 7.395 5.403 1.00 0.71 O ATOM 404 CB ASP A 29 -8.389 9.689 7.305 1.00 1.18 C ATOM 405 CG ASP A 29 -7.781 9.042 8.538 1.00 1.63 C ATOM 406 OD1 ASP A 29 -6.658 9.403 8.957 1.00 2.14 O ATOM 407 OD2 ASP A 29 -8.427 8.143 9.118 1.00 2.17 O ATOM 0 HA ASP A 29 -6.617 9.365 6.185 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -8.319 10.773 7.390 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -9.449 9.441 7.248 1.00 1.18 H new ATOM 412 N PHE A 30 -6.956 6.955 5.908 1.00 0.48 N ATOM 413 CA PHE A 30 -7.026 5.524 5.605 1.00 0.41 C ATOM 414 C PHE A 30 -5.872 4.762 6.314 1.00 0.34 C ATOM 415 O PHE A 30 -5.982 3.572 6.589 1.00 0.34 O ATOM 416 CB PHE A 30 -6.887 5.324 4.053 1.00 0.47 C ATOM 417 CG PHE A 30 -5.507 5.678 3.531 1.00 0.39 C ATOM 418 CD1 PHE A 30 -5.103 7.000 3.423 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.606 4.688 3.197 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.840 7.316 2.991 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.336 5.006 2.769 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.955 6.317 2.666 1.00 0.60 C ATOM 0 H PHE A 30 -6.042 7.260 6.242 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.981 5.133 5.958 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -7.108 4.286 3.805 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.630 5.938 3.545 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.791 7.791 3.682 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.900 3.651 3.272 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.541 8.350 2.906 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.640 4.220 2.514 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.959 6.566 2.329 1.00 0.60 H new ATOM 432 N LEU A 31 -4.783 5.500 6.614 1.00 0.36 N ATOM 433 CA LEU A 31 -3.488 4.967 7.075 1.00 0.36 C ATOM 434 C LEU A 31 -3.564 3.970 8.234 1.00 0.35 C ATOM 435 O LEU A 31 -2.830 2.964 8.243 1.00 0.37 O ATOM 436 CB LEU A 31 -2.544 6.120 7.445 1.00 0.44 C ATOM 437 CG LEU A 31 -1.094 5.740 7.764 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.386 5.222 6.523 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.344 6.916 8.361 1.00 0.64 C ATOM 0 H LEU A 31 -4.783 6.517 6.539 1.00 0.36 H new ATOM 0 HA LEU A 31 -3.102 4.398 6.229 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.537 6.833 6.621 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.959 6.637 8.310 1.00 0.44 H new ATOM 0 HG LEU A 31 -1.110 4.940 8.504 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.642 4.959 6.774 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.906 4.340 6.149 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.385 5.995 5.755 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.682 6.620 8.578 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.341 7.744 7.652 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.834 7.230 9.283 1.00 0.64 H new ATOM 451 N ASP A 32 -4.413 4.235 9.199 1.00 0.38 N ATOM 452 CA ASP A 32 -4.459 3.401 10.393 1.00 0.45 C ATOM 453 C ASP A 32 -5.610 2.436 10.406 1.00 0.41 C ATOM 454 O ASP A 32 -5.778 1.674 11.364 1.00 0.47 O ATOM 455 CB ASP A 32 -4.422 4.227 11.681 1.00 0.64 C ATOM 456 CG ASP A 32 -3.062 4.813 11.952 1.00 1.55 C ATOM 457 OD1 ASP A 32 -2.106 4.063 12.253 1.00 2.06 O ATOM 458 OD2 ASP A 32 -2.910 6.050 11.866 1.00 2.29 O ATOM 0 H ASP A 32 -5.076 5.010 9.189 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.550 2.800 10.354 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -5.154 5.032 11.614 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -4.717 3.598 12.521 1.00 0.64 H new ATOM 463 N LEU A 33 -6.382 2.431 9.364 1.00 0.41 N ATOM 464 CA LEU A 33 -7.484 1.505 9.272 1.00 0.45 C ATOM 465 C LEU A 33 -6.987 0.202 8.702 1.00 0.44 C ATOM 466 O LEU A 33 -5.971 0.170 8.027 1.00 0.56 O ATOM 467 CB LEU A 33 -8.594 2.057 8.378 1.00 0.51 C ATOM 468 CG LEU A 33 -9.328 3.292 8.882 1.00 0.85 C ATOM 469 CD1 LEU A 33 -10.308 3.777 7.830 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.063 2.975 10.179 1.00 1.61 C ATOM 0 H LEU A 33 -6.276 3.054 8.563 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.892 1.351 10.271 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.162 2.291 7.405 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.328 1.267 8.219 1.00 0.51 H new ATOM 0 HG LEU A 33 -8.600 4.080 9.077 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -10.829 4.661 8.198 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -9.767 4.028 6.917 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -11.032 2.991 7.618 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.584 3.866 10.529 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.786 2.178 10.002 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -9.346 2.654 10.934 1.00 1.61 H new ATOM 482 N ARG A 34 -7.673 -0.865 8.979 1.00 0.45 N ATOM 483 CA ARG A 34 -7.337 -2.133 8.385 1.00 0.50 C ATOM 484 C ARG A 34 -7.827 -2.025 6.949 1.00 0.45 C ATOM 485 O ARG A 34 -8.873 -1.422 6.728 1.00 0.54 O ATOM 486 CB ARG A 34 -8.092 -3.238 9.140 1.00 0.71 C ATOM 487 CG ARG A 34 -7.269 -4.453 9.537 1.00 1.08 C ATOM 488 CD ARG A 34 -6.928 -5.362 8.375 1.00 1.18 C ATOM 489 NE ARG A 34 -6.017 -6.426 8.806 1.00 1.90 N ATOM 490 CZ ARG A 34 -5.870 -7.626 8.248 1.00 2.49 C ATOM 491 NH1 ARG A 34 -6.761 -8.091 7.387 1.00 2.61 N ATOM 492 NH2 ARG A 34 -4.878 -8.394 8.641 1.00 3.35 N ATOM 0 H ARG A 34 -8.471 -0.888 9.613 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.274 -2.369 8.426 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -8.523 -2.805 10.042 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.923 -3.573 8.519 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -6.345 -4.117 10.008 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -7.818 -5.025 10.285 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -7.840 -5.799 7.968 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -6.467 -4.782 7.575 1.00 1.18 H new ATOM 0 HE ARG A 34 -5.434 -6.226 9.619 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -7.575 -7.528 7.142 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -6.633 -9.012 6.969 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -4.236 -8.068 9.363 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -4.751 -9.316 8.224 1.00 3.35 H new ATOM 506 N PHE A 35 -7.067 -2.543 5.975 1.00 0.40 N ATOM 507 CA PHE A 35 -7.444 -2.436 4.527 1.00 0.40 C ATOM 508 C PHE A 35 -8.920 -2.791 4.276 1.00 0.46 C ATOM 509 O PHE A 35 -9.601 -2.173 3.473 1.00 0.49 O ATOM 510 CB PHE A 35 -6.557 -3.322 3.644 1.00 0.39 C ATOM 511 CG PHE A 35 -5.112 -2.921 3.592 1.00 0.35 C ATOM 512 CD1 PHE A 35 -4.717 -1.804 2.881 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.149 -3.667 4.236 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.392 -1.438 2.814 1.00 0.49 C ATOM 515 CE2 PHE A 35 -2.822 -3.307 4.172 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.444 -2.191 3.460 1.00 0.48 C ATOM 0 H PHE A 35 -6.192 -3.039 6.143 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.290 -1.391 4.258 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.621 -4.349 4.005 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -6.957 -3.315 2.630 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.459 -1.209 2.370 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.438 -4.543 4.797 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.099 -0.561 2.255 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.077 -3.900 4.681 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.403 -1.909 3.410 1.00 0.48 H new ATOM 526 N GLU A 36 -9.389 -3.769 4.979 1.00 0.58 N ATOM 527 CA GLU A 36 -10.766 -4.212 4.883 1.00 0.74 C ATOM 528 C GLU A 36 -11.788 -3.074 5.191 1.00 0.75 C ATOM 529 O GLU A 36 -12.877 -3.038 4.624 1.00 0.84 O ATOM 530 CB GLU A 36 -10.950 -5.411 5.785 1.00 0.92 C ATOM 531 CG GLU A 36 -9.974 -6.526 5.447 1.00 1.14 C ATOM 532 CD GLU A 36 -10.059 -7.688 6.374 1.00 1.56 C ATOM 533 OE1 GLU A 36 -9.434 -7.653 7.454 1.00 2.26 O ATOM 534 OE2 GLU A 36 -10.771 -8.643 6.062 1.00 1.93 O ATOM 0 H GLU A 36 -8.830 -4.298 5.648 1.00 0.58 H new ATOM 0 HA GLU A 36 -10.973 -4.502 3.853 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -10.812 -5.109 6.823 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -11.971 -5.781 5.694 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -10.163 -6.868 4.429 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -8.959 -6.129 5.466 1.00 1.14 H new ATOM 541 N ASP A 37 -11.399 -2.119 6.040 1.00 0.70 N ATOM 542 CA ASP A 37 -12.276 -1.004 6.429 1.00 0.77 C ATOM 543 C ASP A 37 -12.164 0.160 5.454 1.00 0.71 C ATOM 544 O ASP A 37 -12.938 1.110 5.525 1.00 0.80 O ATOM 545 CB ASP A 37 -11.962 -0.479 7.844 1.00 0.85 C ATOM 546 CG ASP A 37 -12.226 -1.466 8.952 1.00 1.48 C ATOM 547 OD1 ASP A 37 -13.395 -1.689 9.283 1.00 1.64 O ATOM 548 OD2 ASP A 37 -11.268 -2.065 9.492 1.00 2.27 O ATOM 0 H ASP A 37 -10.477 -2.093 6.475 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.289 -1.406 6.414 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -10.914 -0.181 7.883 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -12.555 0.417 8.025 1.00 0.85 H new ATOM 553 N ILE A 38 -11.205 0.106 4.546 1.00 0.62 N ATOM 554 CA ILE A 38 -11.047 1.191 3.575 1.00 0.65 C ATOM 555 C ILE A 38 -11.648 0.780 2.241 1.00 0.69 C ATOM 556 O ILE A 38 -11.382 1.378 1.206 1.00 0.75 O ATOM 557 CB ILE A 38 -9.554 1.652 3.384 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.700 0.511 2.803 1.00 0.53 C ATOM 559 CG2 ILE A 38 -8.976 2.145 4.702 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.231 0.809 2.608 1.00 0.56 C ATOM 0 H ILE A 38 -10.534 -0.657 4.455 1.00 0.62 H new ATOM 0 HA ILE A 38 -11.580 2.052 3.978 1.00 0.65 H new ATOM 0 HB ILE A 38 -9.538 2.479 2.674 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.790 -0.353 3.461 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.122 0.224 1.840 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -7.943 2.460 4.551 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -9.563 2.989 5.064 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.007 1.340 5.436 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.734 -0.068 2.194 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.118 1.648 1.922 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -6.781 1.062 3.568 1.00 0.56 H new ATOM 572 N GLY A 39 -12.516 -0.221 2.302 1.00 0.72 N ATOM 573 CA GLY A 39 -13.175 -0.730 1.123 1.00 0.81 C ATOM 574 C GLY A 39 -12.270 -1.620 0.308 1.00 0.67 C ATOM 575 O GLY A 39 -12.553 -1.909 -0.865 1.00 0.72 O ATOM 0 H GLY A 39 -12.777 -0.695 3.167 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -14.063 -1.289 1.417 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.512 0.104 0.508 1.00 0.81 H new ATOM 579 N TYR A 40 -11.182 -2.065 0.908 1.00 0.57 N ATOM 580 CA TYR A 40 -10.234 -2.871 0.212 1.00 0.54 C ATOM 581 C TYR A 40 -10.444 -4.326 0.433 1.00 0.64 C ATOM 582 O TYR A 40 -10.246 -4.864 1.524 1.00 0.79 O ATOM 583 CB TYR A 40 -8.801 -2.401 0.430 1.00 0.55 C ATOM 584 CG TYR A 40 -8.422 -1.345 -0.575 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.240 -0.266 -0.806 1.00 0.71 C ATOM 586 CD2 TYR A 40 -7.205 -1.395 -1.240 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.868 0.729 -1.673 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.818 -0.399 -2.088 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.806 0.509 -2.519 1.00 0.89 C ATOM 590 OH TYR A 40 -7.250 1.678 -3.101 1.00 1.12 O ATOM 0 H TYR A 40 -10.944 -1.873 1.881 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.417 -2.728 -0.853 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.694 -2.003 1.439 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.120 -3.248 0.348 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -10.190 -0.200 -0.297 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.551 -2.240 -1.083 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -9.400 1.669 -1.691 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.793 -0.310 -2.417 1.00 0.82 H new ATOM 0 HH TYR A 40 -7.007 2.312 -2.394 1.00 1.12 H new ATOM 600 N ASP A 41 -10.859 -4.941 -0.626 1.00 0.68 N ATOM 601 CA ASP A 41 -11.247 -6.322 -0.659 1.00 0.90 C ATOM 602 C ASP A 41 -10.087 -7.246 -0.962 1.00 1.04 C ATOM 603 O ASP A 41 -9.824 -8.186 -0.195 1.00 1.93 O ATOM 604 CB ASP A 41 -12.411 -6.532 -1.663 1.00 1.00 C ATOM 605 CG ASP A 41 -12.168 -5.979 -3.076 1.00 1.48 C ATOM 606 OD1 ASP A 41 -11.113 -5.369 -3.302 1.00 2.20 O ATOM 607 OD2 ASP A 41 -13.012 -6.188 -4.010 1.00 2.00 O ATOM 0 H ASP A 41 -10.942 -4.480 -1.532 1.00 0.68 H new ATOM 0 HA ASP A 41 -11.594 -6.585 0.340 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -12.615 -7.600 -1.739 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -13.308 -6.064 -1.257 1.00 1.00 H new ATOM 612 N SER A 42 -9.351 -6.942 -2.029 1.00 0.72 N ATOM 613 CA SER A 42 -8.284 -7.802 -2.506 1.00 0.68 C ATOM 614 C SER A 42 -7.665 -7.241 -3.798 1.00 0.54 C ATOM 615 O SER A 42 -6.463 -6.951 -3.853 1.00 0.51 O ATOM 616 CB SER A 42 -8.898 -9.167 -2.818 1.00 0.82 C ATOM 617 OG SER A 42 -10.032 -8.963 -3.749 1.00 0.86 O ATOM 0 H SER A 42 -9.481 -6.095 -2.582 1.00 0.72 H new ATOM 0 HA SER A 42 -7.505 -7.870 -1.747 1.00 0.68 H new ATOM 0 HB2 SER A 42 -8.153 -9.826 -3.265 1.00 0.82 H new ATOM 0 HB3 SER A 42 -9.240 -9.648 -1.902 1.00 0.82 H new ATOM 0 HG SER A 42 -10.439 -9.828 -3.963 1.00 0.86 H new ATOM 622 N LEU A 43 -8.512 -7.070 -4.813 1.00 0.52 N ATOM 623 CA LEU A 43 -8.107 -6.633 -6.155 1.00 0.48 C ATOM 624 C LEU A 43 -7.379 -5.312 -6.068 1.00 0.39 C ATOM 625 O LEU A 43 -6.227 -5.204 -6.456 1.00 0.37 O ATOM 626 CB LEU A 43 -9.359 -6.532 -7.079 1.00 0.64 C ATOM 627 CG LEU A 43 -9.149 -6.369 -8.622 1.00 0.83 C ATOM 628 CD1 LEU A 43 -8.513 -5.028 -9.023 1.00 1.64 C ATOM 629 CD2 LEU A 43 -8.342 -7.534 -9.177 1.00 1.57 C ATOM 0 H LEU A 43 -9.515 -7.233 -4.728 1.00 0.52 H new ATOM 0 HA LEU A 43 -7.426 -7.365 -6.588 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.959 -7.428 -6.921 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.954 -5.686 -6.736 1.00 0.64 H new ATOM 0 HG LEU A 43 -10.145 -6.372 -9.065 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.399 -4.989 -10.106 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -9.154 -4.209 -8.696 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -7.535 -4.934 -8.552 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -8.206 -7.404 -10.251 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -7.368 -7.567 -8.689 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -8.873 -8.467 -8.989 1.00 1.57 H new ATOM 641 N ALA A 44 -8.045 -4.330 -5.534 1.00 0.41 N ATOM 642 CA ALA A 44 -7.471 -3.017 -5.396 1.00 0.39 C ATOM 643 C ALA A 44 -6.258 -3.034 -4.458 1.00 0.34 C ATOM 644 O ALA A 44 -5.300 -2.330 -4.674 1.00 0.35 O ATOM 645 CB ALA A 44 -8.524 -2.052 -4.916 1.00 0.49 C ATOM 0 H ALA A 44 -8.999 -4.413 -5.182 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.113 -2.687 -6.371 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.087 -1.059 -4.812 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.340 -2.016 -5.637 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.907 -2.382 -3.951 1.00 0.49 H new ATOM 651 N LEU A 45 -6.301 -3.895 -3.457 1.00 0.37 N ATOM 652 CA LEU A 45 -5.234 -3.984 -2.465 1.00 0.42 C ATOM 653 C LEU A 45 -3.911 -4.457 -3.101 1.00 0.39 C ATOM 654 O LEU A 45 -2.847 -3.881 -2.858 1.00 0.43 O ATOM 655 CB LEU A 45 -5.716 -4.854 -1.256 1.00 0.54 C ATOM 656 CG LEU A 45 -4.760 -5.087 -0.060 1.00 0.57 C ATOM 657 CD1 LEU A 45 -3.832 -6.265 -0.299 1.00 0.75 C ATOM 658 CD2 LEU A 45 -3.926 -3.862 0.205 1.00 0.94 C ATOM 0 H LEU A 45 -7.069 -4.549 -3.306 1.00 0.37 H new ATOM 0 HA LEU A 45 -5.010 -2.993 -2.070 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -6.624 -4.396 -0.865 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -5.995 -5.832 -1.647 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.388 -5.303 0.804 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -3.178 -6.394 0.564 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -4.422 -7.169 -0.445 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -3.228 -6.078 -1.187 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.262 -4.049 1.049 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -3.332 -3.628 -0.679 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -4.579 -3.020 0.437 1.00 0.94 H new ATOM 670 N MET A 46 -3.986 -5.460 -3.943 1.00 0.36 N ATOM 671 CA MET A 46 -2.792 -5.964 -4.619 1.00 0.41 C ATOM 672 C MET A 46 -2.321 -4.943 -5.654 1.00 0.39 C ATOM 673 O MET A 46 -1.119 -4.816 -5.925 1.00 0.49 O ATOM 674 CB MET A 46 -3.085 -7.322 -5.287 1.00 0.43 C ATOM 675 CG MET A 46 -4.028 -7.261 -6.483 1.00 0.34 C ATOM 676 SD MET A 46 -3.196 -6.862 -8.051 1.00 0.73 S ATOM 677 CE MET A 46 -4.591 -6.805 -9.183 1.00 1.38 C ATOM 0 H MET A 46 -4.850 -5.947 -4.182 1.00 0.36 H new ATOM 0 HA MET A 46 -2.000 -6.113 -3.885 1.00 0.41 H new ATOM 0 HB2 MET A 46 -2.142 -7.763 -5.609 1.00 0.43 H new ATOM 0 HB3 MET A 46 -3.511 -7.993 -4.541 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.534 -8.221 -6.585 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.798 -6.514 -6.290 1.00 0.34 H new ATOM 0 HE1 MET A 46 -4.236 -6.570 -10.186 1.00 1.38 H new ATOM 0 HE2 MET A 46 -5.092 -7.773 -9.193 1.00 1.38 H new ATOM 0 HE3 MET A 46 -5.293 -6.037 -8.857 1.00 1.38 H new ATOM 687 N GLU A 47 -3.284 -4.204 -6.191 1.00 0.31 N ATOM 688 CA GLU A 47 -3.057 -3.212 -7.218 1.00 0.37 C ATOM 689 C GLU A 47 -2.219 -2.071 -6.638 1.00 0.34 C ATOM 690 O GLU A 47 -1.318 -1.546 -7.298 1.00 0.38 O ATOM 691 CB GLU A 47 -4.425 -2.720 -7.729 1.00 0.44 C ATOM 692 CG GLU A 47 -4.396 -1.827 -8.948 1.00 0.62 C ATOM 693 CD GLU A 47 -3.779 -2.510 -10.136 1.00 0.99 C ATOM 694 OE1 GLU A 47 -4.411 -3.410 -10.718 1.00 1.45 O ATOM 695 OE2 GLU A 47 -2.652 -2.172 -10.513 1.00 1.76 O ATOM 0 H GLU A 47 -4.263 -4.284 -5.914 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.506 -3.633 -8.059 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.040 -3.591 -7.956 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.920 -2.182 -6.921 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -5.412 -1.519 -9.195 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -3.835 -0.921 -8.720 1.00 0.62 H new ATOM 702 N THR A 48 -2.486 -1.755 -5.376 1.00 0.32 N ATOM 703 CA THR A 48 -1.761 -0.742 -4.643 1.00 0.33 C ATOM 704 C THR A 48 -0.284 -1.115 -4.563 1.00 0.32 C ATOM 705 O THR A 48 0.597 -0.334 -4.975 1.00 0.35 O ATOM 706 CB THR A 48 -2.329 -0.655 -3.215 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.728 -0.388 -3.277 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.642 0.439 -2.424 1.00 0.41 C ATOM 0 H THR A 48 -3.223 -2.205 -4.833 1.00 0.32 H new ATOM 0 HA THR A 48 -1.866 0.216 -5.153 1.00 0.33 H new ATOM 0 HB THR A 48 -2.152 -1.607 -2.714 1.00 0.38 H new ATOM 0 HG1 THR A 48 -3.940 0.051 -4.127 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.062 0.480 -1.419 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.574 0.228 -2.363 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.795 1.397 -2.920 1.00 0.41 H new ATOM 716 N ALA A 49 -0.025 -2.303 -4.036 1.00 0.32 N ATOM 717 CA ALA A 49 1.323 -2.790 -3.863 1.00 0.33 C ATOM 718 C ALA A 49 2.057 -2.842 -5.178 1.00 0.30 C ATOM 719 O ALA A 49 3.108 -2.246 -5.305 1.00 0.29 O ATOM 720 CB ALA A 49 1.327 -4.155 -3.223 1.00 0.40 C ATOM 0 H ALA A 49 -0.747 -2.950 -3.719 1.00 0.32 H new ATOM 0 HA ALA A 49 1.838 -2.091 -3.204 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.355 -4.498 -3.104 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.848 -4.100 -2.246 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.782 -4.855 -3.856 1.00 0.40 H new ATOM 726 N ALA A 50 1.453 -3.487 -6.174 1.00 0.31 N ATOM 727 CA ALA A 50 2.090 -3.691 -7.478 1.00 0.35 C ATOM 728 C ALA A 50 2.433 -2.374 -8.166 1.00 0.33 C ATOM 729 O ALA A 50 3.462 -2.269 -8.838 1.00 0.37 O ATOM 730 CB ALA A 50 1.222 -4.553 -8.373 1.00 0.44 C ATOM 0 H ALA A 50 0.515 -3.881 -6.103 1.00 0.31 H new ATOM 0 HA ALA A 50 3.030 -4.212 -7.296 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.715 -4.691 -9.335 1.00 0.44 H new ATOM 0 HB2 ALA A 50 1.066 -5.524 -7.903 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.259 -4.065 -8.525 1.00 0.44 H new ATOM 736 N ARG A 51 1.594 -1.366 -7.961 1.00 0.31 N ATOM 737 CA ARG A 51 1.818 -0.040 -8.524 1.00 0.36 C ATOM 738 C ARG A 51 3.115 0.531 -7.939 1.00 0.30 C ATOM 739 O ARG A 51 4.004 0.993 -8.671 1.00 0.34 O ATOM 740 CB ARG A 51 0.632 0.875 -8.163 1.00 0.46 C ATOM 741 CG ARG A 51 0.613 2.230 -8.858 1.00 0.91 C ATOM 742 CD ARG A 51 0.450 2.065 -10.357 1.00 1.03 C ATOM 743 NE ARG A 51 0.261 3.347 -11.053 1.00 1.65 N ATOM 744 CZ ARG A 51 -0.126 3.451 -12.334 1.00 2.23 C ATOM 745 NH1 ARG A 51 -0.240 2.354 -13.080 1.00 2.58 N ATOM 746 NH2 ARG A 51 -0.376 4.650 -12.868 1.00 3.05 N ATOM 0 H ARG A 51 0.744 -1.444 -7.403 1.00 0.31 H new ATOM 0 HA ARG A 51 1.902 -0.101 -9.609 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.294 0.351 -8.401 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.637 1.039 -7.085 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -0.204 2.835 -8.463 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.538 2.766 -8.645 1.00 0.91 H new ATOM 0 HD2 ARG A 51 1.330 1.564 -10.761 1.00 1.03 H new ATOM 0 HD3 ARG A 51 -0.405 1.419 -10.556 1.00 1.03 H new ATOM 0 HE ARG A 51 0.434 4.207 -10.532 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -0.034 1.440 -12.677 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -0.534 2.428 -14.054 1.00 2.58 H new ATOM 0 HH21 ARG A 51 -0.273 5.492 -12.302 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -0.670 4.723 -13.842 1.00 3.05 H new ATOM 760 N LEU A 52 3.226 0.449 -6.623 1.00 0.25 N ATOM 761 CA LEU A 52 4.396 0.925 -5.917 1.00 0.24 C ATOM 762 C LEU A 52 5.620 0.075 -6.230 1.00 0.22 C ATOM 763 O LEU A 52 6.706 0.612 -6.476 1.00 0.26 O ATOM 764 CB LEU A 52 4.131 1.005 -4.413 1.00 0.28 C ATOM 765 CG LEU A 52 3.011 1.968 -4.000 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.838 1.985 -2.496 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.281 3.375 -4.521 1.00 0.41 C ATOM 0 H LEU A 52 2.507 0.051 -6.019 1.00 0.25 H new ATOM 0 HA LEU A 52 4.611 1.934 -6.268 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.884 0.008 -4.050 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.051 1.307 -3.913 1.00 0.28 H new ATOM 0 HG LEU A 52 2.084 1.610 -4.447 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.038 2.676 -2.230 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.584 0.984 -2.148 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.767 2.308 -2.026 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.472 4.038 -4.214 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.224 3.740 -4.113 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.341 3.355 -5.609 1.00 0.41 H new ATOM 779 N GLU A 53 5.429 -1.242 -6.272 1.00 0.20 N ATOM 780 CA GLU A 53 6.500 -2.185 -6.579 1.00 0.25 C ATOM 781 C GLU A 53 7.141 -1.849 -7.902 1.00 0.29 C ATOM 782 O GLU A 53 8.370 -1.752 -8.005 1.00 0.32 O ATOM 783 CB GLU A 53 5.990 -3.618 -6.641 1.00 0.28 C ATOM 784 CG GLU A 53 5.479 -4.185 -5.340 1.00 0.30 C ATOM 785 CD GLU A 53 5.097 -5.630 -5.494 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.999 -6.458 -5.738 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.907 -5.964 -5.407 1.00 0.55 O ATOM 0 H GLU A 53 4.527 -1.684 -6.094 1.00 0.20 H new ATOM 0 HA GLU A 53 7.231 -2.103 -5.775 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.188 -3.668 -7.378 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.796 -4.256 -7.003 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.246 -4.088 -4.571 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.616 -3.611 -5.003 1.00 0.30 H new ATOM 794 N SER A 54 6.302 -1.630 -8.882 1.00 0.35 N ATOM 795 CA SER A 54 6.731 -1.302 -10.217 1.00 0.46 C ATOM 796 C SER A 54 7.515 0.021 -10.234 1.00 0.42 C ATOM 797 O SER A 54 8.625 0.080 -10.760 1.00 0.46 O ATOM 798 CB SER A 54 5.503 -1.231 -11.148 1.00 0.61 C ATOM 799 OG SER A 54 5.848 -0.920 -12.490 1.00 1.51 O ATOM 0 H SER A 54 5.289 -1.675 -8.774 1.00 0.35 H new ATOM 0 HA SER A 54 7.402 -2.082 -10.576 1.00 0.46 H new ATOM 0 HB2 SER A 54 4.979 -2.186 -11.124 1.00 0.61 H new ATOM 0 HB3 SER A 54 4.810 -0.478 -10.772 1.00 0.61 H new ATOM 0 HG SER A 54 5.036 -0.889 -13.038 1.00 1.51 H new ATOM 805 N ARG A 55 6.968 1.046 -9.606 1.00 0.40 N ATOM 806 CA ARG A 55 7.574 2.371 -9.643 1.00 0.45 C ATOM 807 C ARG A 55 8.941 2.439 -8.940 1.00 0.43 C ATOM 808 O ARG A 55 9.869 3.086 -9.433 1.00 0.49 O ATOM 809 CB ARG A 55 6.626 3.427 -9.054 1.00 0.54 C ATOM 810 CG ARG A 55 7.197 4.838 -9.084 1.00 0.70 C ATOM 811 CD ARG A 55 6.257 5.849 -8.463 1.00 1.09 C ATOM 812 NE ARG A 55 6.864 7.184 -8.418 1.00 1.64 N ATOM 813 CZ ARG A 55 6.470 8.187 -7.616 1.00 2.34 C ATOM 814 NH1 ARG A 55 5.626 7.949 -6.613 1.00 2.65 N ATOM 815 NH2 ARG A 55 6.989 9.399 -7.759 1.00 3.15 N ATOM 0 H ARG A 55 6.106 0.990 -9.064 1.00 0.40 H new ATOM 0 HA ARG A 55 7.750 2.587 -10.697 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.688 3.411 -9.608 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.392 3.160 -8.023 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.148 4.854 -8.552 1.00 0.70 H new ATOM 0 HG3 ARG A 55 7.404 5.123 -10.116 1.00 0.70 H new ATOM 0 HD2 ARG A 55 5.331 5.888 -9.036 1.00 1.09 H new ATOM 0 HD3 ARG A 55 5.994 5.532 -7.454 1.00 1.09 H new ATOM 0 HE ARG A 55 7.647 7.365 -9.046 1.00 1.64 H new ATOM 0 HH11 ARG A 55 5.278 7.004 -6.453 1.00 2.65 H new ATOM 0 HH12 ARG A 55 5.328 8.712 -6.005 1.00 2.65 H new ATOM 0 HH21 ARG A 55 7.690 9.572 -8.480 1.00 3.15 H new ATOM 0 HH22 ARG A 55 6.687 10.158 -7.148 1.00 3.15 H new ATOM 829 N TYR A 56 9.077 1.777 -7.810 1.00 0.40 N ATOM 830 CA TYR A 56 10.302 1.930 -7.028 1.00 0.48 C ATOM 831 C TYR A 56 11.270 0.781 -7.229 1.00 0.49 C ATOM 832 O TYR A 56 12.384 0.810 -6.717 1.00 0.63 O ATOM 833 CB TYR A 56 9.977 2.093 -5.548 1.00 0.57 C ATOM 834 CG TYR A 56 8.914 3.128 -5.286 1.00 0.62 C ATOM 835 CD1 TYR A 56 9.113 4.439 -5.653 1.00 0.83 C ATOM 836 CD2 TYR A 56 7.730 2.801 -4.646 1.00 0.58 C ATOM 837 CE1 TYR A 56 8.174 5.398 -5.398 1.00 0.94 C ATOM 838 CE2 TYR A 56 6.781 3.762 -4.378 1.00 0.69 C ATOM 839 CZ TYR A 56 6.916 4.987 -4.854 1.00 0.87 C ATOM 840 OH TYR A 56 6.084 6.040 -4.481 1.00 1.01 O ATOM 0 H TYR A 56 8.382 1.144 -7.415 1.00 0.40 H new ATOM 0 HA TYR A 56 10.795 2.832 -7.390 1.00 0.48 H new ATOM 0 HB2 TYR A 56 9.649 1.134 -5.147 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.885 2.369 -5.011 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.030 4.715 -6.153 1.00 0.83 H new ATOM 0 HD2 TYR A 56 7.549 1.777 -4.353 1.00 0.58 H new ATOM 0 HE1 TYR A 56 8.376 6.439 -5.602 1.00 0.94 H new ATOM 0 HE2 TYR A 56 5.921 3.513 -3.775 1.00 0.69 H new ATOM 0 HH TYR A 56 5.246 5.683 -4.120 1.00 1.01 H new ATOM 850 N GLY A 57 10.844 -0.220 -7.962 1.00 0.42 N ATOM 851 CA GLY A 57 11.698 -1.353 -8.217 1.00 0.47 C ATOM 852 C GLY A 57 11.796 -2.266 -7.013 1.00 0.48 C ATOM 853 O GLY A 57 12.893 -2.691 -6.619 1.00 0.64 O ATOM 0 H GLY A 57 9.919 -0.273 -8.389 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.313 -1.914 -9.068 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.694 -1.003 -8.490 1.00 0.47 H new ATOM 857 N VAL A 58 10.672 -2.568 -6.421 1.00 0.37 N ATOM 858 CA VAL A 58 10.654 -3.453 -5.283 1.00 0.39 C ATOM 859 C VAL A 58 9.846 -4.700 -5.597 1.00 0.37 C ATOM 860 O VAL A 58 9.239 -4.796 -6.670 1.00 0.39 O ATOM 861 CB VAL A 58 10.160 -2.781 -3.950 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.057 -1.625 -3.555 1.00 0.61 C ATOM 863 CG2 VAL A 58 8.718 -2.309 -4.050 1.00 0.50 C ATOM 0 H VAL A 58 9.758 -2.216 -6.705 1.00 0.37 H new ATOM 0 HA VAL A 58 11.693 -3.727 -5.098 1.00 0.39 H new ATOM 0 HB VAL A 58 10.210 -3.547 -3.176 1.00 0.47 H new ATOM 0 HG11 VAL A 58 10.691 -1.180 -2.630 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.074 -1.988 -3.405 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.052 -0.874 -4.345 1.00 0.61 H new ATOM 0 HG21 VAL A 58 8.419 -1.851 -3.107 1.00 0.50 H new ATOM 0 HG22 VAL A 58 8.630 -1.577 -4.853 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.071 -3.160 -4.262 1.00 0.50 H new ATOM 873 N SER A 59 9.830 -5.630 -4.688 1.00 0.42 N ATOM 874 CA SER A 59 9.081 -6.843 -4.854 1.00 0.50 C ATOM 875 C SER A 59 8.475 -7.297 -3.535 1.00 0.48 C ATOM 876 O SER A 59 9.192 -7.701 -2.608 1.00 0.61 O ATOM 877 CB SER A 59 9.963 -7.934 -5.484 1.00 0.68 C ATOM 878 OG SER A 59 11.211 -8.062 -4.794 1.00 1.55 O ATOM 0 H SER A 59 10.338 -5.569 -3.806 1.00 0.42 H new ATOM 0 HA SER A 59 8.253 -6.650 -5.535 1.00 0.50 H new ATOM 0 HB2 SER A 59 9.435 -8.887 -5.463 1.00 0.68 H new ATOM 0 HB3 SER A 59 10.148 -7.695 -6.531 1.00 0.68 H new ATOM 0 HG SER A 59 11.061 -7.980 -3.829 1.00 1.55 H new ATOM 884 N ILE A 60 7.185 -7.188 -3.447 1.00 0.42 N ATOM 885 CA ILE A 60 6.443 -7.596 -2.290 1.00 0.43 C ATOM 886 C ILE A 60 5.842 -8.944 -2.581 1.00 0.48 C ATOM 887 O ILE A 60 5.172 -9.116 -3.607 1.00 0.51 O ATOM 888 CB ILE A 60 5.289 -6.610 -1.959 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.836 -5.215 -1.691 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.473 -7.101 -0.754 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.758 -4.182 -1.517 1.00 0.50 C ATOM 0 H ILE A 60 6.604 -6.805 -4.193 1.00 0.42 H new ATOM 0 HA ILE A 60 7.120 -7.621 -1.436 1.00 0.43 H new ATOM 0 HB ILE A 60 4.628 -6.566 -2.825 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.455 -5.240 -0.794 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.483 -4.920 -2.517 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.672 -6.392 -0.544 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.044 -8.078 -0.979 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.123 -7.182 0.117 1.00 0.44 H new ATOM 0 HD11 ILE A 60 5.213 -3.209 -1.329 1.00 0.50 H new ATOM 0 HD12 ILE A 60 4.154 -4.131 -2.423 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.125 -4.456 -0.673 1.00 0.50 H new ATOM 903 N PRO A 61 6.131 -9.937 -1.755 1.00 0.55 N ATOM 904 CA PRO A 61 5.525 -11.246 -1.887 1.00 0.61 C ATOM 905 C PRO A 61 4.010 -11.145 -1.753 1.00 0.52 C ATOM 906 O PRO A 61 3.503 -10.467 -0.838 1.00 0.43 O ATOM 907 CB PRO A 61 6.103 -12.025 -0.695 1.00 0.69 C ATOM 908 CG PRO A 61 7.374 -11.326 -0.383 1.00 0.75 C ATOM 909 CD PRO A 61 7.101 -9.881 -0.648 1.00 0.63 C ATOM 0 HA PRO A 61 5.726 -11.714 -2.851 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.422 -12.012 0.156 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.276 -13.071 -0.949 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.668 -11.488 0.654 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.189 -11.694 -1.006 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.689 -9.379 0.227 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.006 -9.342 -0.928 1.00 0.63 H new ATOM 917 N ASP A 62 3.293 -11.792 -2.662 1.00 0.58 N ATOM 918 CA ASP A 62 1.818 -11.860 -2.633 1.00 0.57 C ATOM 919 C ASP A 62 1.348 -12.453 -1.310 1.00 0.48 C ATOM 920 O ASP A 62 0.242 -12.198 -0.859 1.00 0.49 O ATOM 921 CB ASP A 62 1.251 -12.697 -3.794 1.00 0.74 C ATOM 922 CG ASP A 62 1.500 -14.188 -3.659 1.00 1.16 C ATOM 923 OD1 ASP A 62 2.564 -14.678 -4.096 1.00 1.38 O ATOM 924 OD2 ASP A 62 0.631 -14.905 -3.124 1.00 1.91 O ATOM 0 H ASP A 62 3.710 -12.290 -3.448 1.00 0.58 H new ATOM 0 HA ASP A 62 1.448 -10.841 -2.741 1.00 0.57 H new ATOM 0 HB2 ASP A 62 0.177 -12.523 -3.863 1.00 0.74 H new ATOM 0 HB3 ASP A 62 1.691 -12.349 -4.728 1.00 0.74 H new ATOM 929 N ASP A 63 2.230 -13.207 -0.675 1.00 0.51 N ATOM 930 CA ASP A 63 1.965 -13.794 0.628 1.00 0.55 C ATOM 931 C ASP A 63 1.900 -12.691 1.655 1.00 0.45 C ATOM 932 O ASP A 63 0.966 -12.623 2.453 1.00 0.48 O ATOM 933 CB ASP A 63 3.112 -14.749 0.997 1.00 0.80 C ATOM 934 CG ASP A 63 3.027 -15.297 2.420 1.00 1.25 C ATOM 935 OD1 ASP A 63 2.271 -16.268 2.645 1.00 1.94 O ATOM 936 OD2 ASP A 63 3.750 -14.785 3.320 1.00 1.88 O ATOM 0 H ASP A 63 3.152 -13.430 -1.050 1.00 0.51 H new ATOM 0 HA ASP A 63 1.023 -14.341 0.602 1.00 0.55 H new ATOM 0 HB2 ASP A 63 3.116 -15.584 0.296 1.00 0.80 H new ATOM 0 HB3 ASP A 63 4.061 -14.226 0.876 1.00 0.80 H new ATOM 941 N VAL A 64 2.813 -11.746 1.517 1.00 0.43 N ATOM 942 CA VAL A 64 2.969 -10.675 2.460 1.00 0.43 C ATOM 943 C VAL A 64 1.895 -9.592 2.280 1.00 0.34 C ATOM 944 O VAL A 64 1.459 -8.996 3.254 1.00 0.37 O ATOM 945 CB VAL A 64 4.408 -10.063 2.419 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.554 -8.882 3.377 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.429 -11.129 2.771 1.00 0.70 C ATOM 0 H VAL A 64 3.469 -11.708 0.737 1.00 0.43 H new ATOM 0 HA VAL A 64 2.830 -11.109 3.450 1.00 0.43 H new ATOM 0 HB VAL A 64 4.581 -9.696 1.407 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.568 -8.488 3.316 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.844 -8.101 3.103 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.354 -9.213 4.396 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.430 -10.698 2.741 1.00 0.70 H new ATOM 0 HG22 VAL A 64 5.227 -11.509 3.772 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.364 -11.946 2.053 1.00 0.70 H new ATOM 957 N ALA A 65 1.420 -9.390 1.054 1.00 0.32 N ATOM 958 CA ALA A 65 0.368 -8.381 0.809 1.00 0.34 C ATOM 959 C ALA A 65 -0.941 -8.713 1.535 1.00 0.37 C ATOM 960 O ALA A 65 -1.759 -7.844 1.773 1.00 0.46 O ATOM 961 CB ALA A 65 0.124 -8.146 -0.669 1.00 0.42 C ATOM 0 H ALA A 65 1.732 -9.894 0.224 1.00 0.32 H new ATOM 0 HA ALA A 65 0.747 -7.449 1.229 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.657 -7.397 -0.794 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.043 -7.794 -1.138 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -0.189 -9.078 -1.139 1.00 0.42 H new ATOM 967 N GLY A 66 -1.129 -9.971 1.877 1.00 0.39 N ATOM 968 CA GLY A 66 -2.299 -10.349 2.660 1.00 0.50 C ATOM 969 C GLY A 66 -1.907 -10.720 4.070 1.00 0.52 C ATOM 970 O GLY A 66 -2.712 -11.210 4.856 1.00 0.73 O ATOM 0 H GLY A 66 -0.504 -10.739 1.634 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -3.010 -9.523 2.681 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.803 -11.191 2.185 1.00 0.50 H new ATOM 974 N ARG A 67 -0.656 -10.487 4.376 1.00 0.42 N ATOM 975 CA ARG A 67 -0.068 -10.807 5.666 1.00 0.50 C ATOM 976 C ARG A 67 0.149 -9.505 6.447 1.00 0.49 C ATOM 977 O ARG A 67 0.591 -9.504 7.605 1.00 0.60 O ATOM 978 CB ARG A 67 1.247 -11.530 5.393 1.00 0.56 C ATOM 979 CG ARG A 67 1.988 -12.110 6.568 1.00 1.09 C ATOM 980 CD ARG A 67 3.182 -12.889 6.049 1.00 1.24 C ATOM 981 NE ARG A 67 4.033 -13.393 7.108 1.00 2.11 N ATOM 982 CZ ARG A 67 4.953 -14.342 6.959 1.00 2.57 C ATOM 983 NH1 ARG A 67 5.073 -15.010 5.799 1.00 2.21 N ATOM 984 NH2 ARG A 67 5.734 -14.641 7.984 1.00 3.62 N ATOM 0 H ARG A 67 0.003 -10.060 3.725 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.713 -11.448 6.266 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.044 -12.340 4.692 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.914 -10.831 4.888 1.00 0.56 H new ATOM 0 HG2 ARG A 67 2.317 -11.315 7.238 1.00 1.09 H new ATOM 0 HG3 ARG A 67 1.332 -12.762 7.145 1.00 1.09 H new ATOM 0 HD2 ARG A 67 2.829 -13.725 5.445 1.00 1.24 H new ATOM 0 HD3 ARG A 67 3.770 -12.248 5.392 1.00 1.24 H new ATOM 0 HE ARG A 67 3.918 -12.990 8.038 1.00 2.11 H new ATOM 0 HH11 ARG A 67 4.454 -14.792 5.018 1.00 2.21 H new ATOM 0 HH12 ARG A 67 5.783 -15.735 5.699 1.00 2.21 H new ATOM 0 HH21 ARG A 67 5.625 -14.147 8.870 1.00 3.62 H new ATOM 0 HH22 ARG A 67 6.445 -15.366 7.889 1.00 3.62 H new ATOM 998 N VAL A 68 -0.140 -8.398 5.779 1.00 0.44 N ATOM 999 CA VAL A 68 -0.070 -7.067 6.361 1.00 0.44 C ATOM 1000 C VAL A 68 -1.347 -6.750 7.126 1.00 0.52 C ATOM 1001 O VAL A 68 -2.189 -7.635 7.328 1.00 0.94 O ATOM 1002 CB VAL A 68 0.245 -5.977 5.291 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.673 -6.114 4.798 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.711 -6.090 4.121 1.00 0.57 C ATOM 0 H VAL A 68 -0.434 -8.400 4.802 1.00 0.44 H new ATOM 0 HA VAL A 68 0.760 -7.057 7.068 1.00 0.44 H new ATOM 0 HB VAL A 68 0.122 -4.999 5.756 1.00 0.46 H new ATOM 0 HG11 VAL A 68 1.876 -5.346 4.052 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.360 -5.996 5.636 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.811 -7.099 4.351 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -0.477 -5.322 3.384 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.611 -7.074 3.663 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.734 -5.955 4.473 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.520 -5.514 7.523 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.705 -5.158 8.306 1.00 0.57 C ATOM 1016 C ASP A 69 -3.253 -3.795 7.909 1.00 0.40 C ATOM 1017 O ASP A 69 -4.328 -3.691 7.304 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.383 -5.185 9.808 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.614 -5.048 10.671 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -4.352 -6.020 10.840 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -3.870 -3.932 11.173 1.00 2.46 O ATOM 0 H ASP A 69 -0.879 -4.744 7.329 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.475 -5.900 8.093 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -1.877 -6.120 10.050 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -1.689 -4.377 10.041 1.00 0.94 H new ATOM 1026 N THR A 70 -2.530 -2.766 8.243 1.00 0.35 N ATOM 1027 CA THR A 70 -2.908 -1.422 7.914 1.00 0.30 C ATOM 1028 C THR A 70 -2.030 -0.919 6.784 1.00 0.26 C ATOM 1029 O THR A 70 -0.976 -1.530 6.497 1.00 0.26 O ATOM 1030 CB THR A 70 -2.699 -0.516 9.140 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.345 -0.681 9.623 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.682 -0.865 10.236 1.00 0.52 C ATOM 0 H THR A 70 -1.652 -2.837 8.757 1.00 0.35 H new ATOM 0 HA THR A 70 -3.955 -1.404 7.613 1.00 0.30 H new ATOM 0 HB THR A 70 -2.866 0.521 8.850 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.204 -0.105 10.403 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.517 -0.213 11.094 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.699 -0.731 9.868 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.538 -1.903 10.537 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.439 0.160 6.088 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.592 0.814 5.112 1.00 0.28 C ATOM 1042 C PRO A 71 -0.268 1.221 5.745 1.00 0.27 C ATOM 1043 O PRO A 71 0.761 1.109 5.120 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.397 2.044 4.701 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.803 1.642 4.925 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.776 0.776 6.142 1.00 0.33 C ATOM 0 HA PRO A 71 -1.342 0.173 4.266 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.130 2.914 5.301 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.218 2.308 3.659 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.442 2.512 5.076 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.199 1.101 4.066 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.915 1.358 7.053 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.566 0.026 6.120 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.318 1.698 7.003 1.00 0.29 N ATOM 1055 CA ARG A 72 0.892 2.037 7.769 1.00 0.34 C ATOM 1056 C ARG A 72 1.866 0.846 7.815 1.00 0.32 C ATOM 1057 O ARG A 72 3.065 0.991 7.556 1.00 0.35 O ATOM 1058 CB ARG A 72 0.549 2.476 9.204 1.00 0.42 C ATOM 1059 CG ARG A 72 1.774 2.922 9.992 1.00 0.72 C ATOM 1060 CD ARG A 72 1.472 3.233 11.452 1.00 0.75 C ATOM 1061 NE ARG A 72 0.491 4.320 11.628 1.00 0.84 N ATOM 1062 CZ ARG A 72 0.779 5.571 12.039 1.00 1.44 C ATOM 1063 NH1 ARG A 72 2.044 5.975 12.166 1.00 2.34 N ATOM 1064 NH2 ARG A 72 -0.212 6.422 12.295 1.00 1.57 N ATOM 0 H ARG A 72 -1.188 1.857 7.511 1.00 0.29 H new ATOM 0 HA ARG A 72 1.371 2.871 7.256 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.171 3.293 9.167 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.067 1.650 9.727 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.532 2.141 9.944 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.198 3.808 9.519 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.096 2.332 11.938 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.399 3.505 11.957 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.485 4.108 11.422 1.00 0.84 H new ATOM 0 HH11 ARG A 72 2.808 5.334 11.951 1.00 2.34 H new ATOM 0 HH12 ARG A 72 2.247 6.925 12.478 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -1.181 6.126 12.180 1.00 1.57 H new ATOM 0 HH22 ARG A 72 -0.002 7.370 12.606 1.00 1.57 H new ATOM 1078 N GLU A 73 1.319 -0.326 8.108 1.00 0.30 N ATOM 1079 CA GLU A 73 2.092 -1.556 8.233 1.00 0.31 C ATOM 1080 C GLU A 73 2.729 -1.905 6.873 1.00 0.30 C ATOM 1081 O GLU A 73 3.914 -2.244 6.787 1.00 0.33 O ATOM 1082 CB GLU A 73 1.144 -2.682 8.679 1.00 0.36 C ATOM 1083 CG GLU A 73 1.814 -3.916 9.247 1.00 0.42 C ATOM 1084 CD GLU A 73 2.543 -3.622 10.537 1.00 1.08 C ATOM 1085 OE1 GLU A 73 1.931 -3.038 11.460 1.00 1.74 O ATOM 1086 OE2 GLU A 73 3.723 -3.989 10.667 1.00 1.68 O ATOM 0 H GLU A 73 0.319 -0.452 8.267 1.00 0.30 H new ATOM 0 HA GLU A 73 2.887 -1.431 8.968 1.00 0.31 H new ATOM 0 HB2 GLU A 73 0.463 -2.282 9.430 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.537 -2.981 7.825 1.00 0.36 H new ATOM 0 HG2 GLU A 73 1.064 -4.687 9.422 1.00 0.42 H new ATOM 0 HG3 GLU A 73 2.517 -4.315 8.516 1.00 0.42 H new ATOM 1093 N LEU A 74 1.930 -1.778 5.817 1.00 0.28 N ATOM 1094 CA LEU A 74 2.366 -2.060 4.446 1.00 0.31 C ATOM 1095 C LEU A 74 3.398 -1.006 3.982 1.00 0.31 C ATOM 1096 O LEU A 74 4.351 -1.329 3.269 1.00 0.34 O ATOM 1097 CB LEU A 74 1.102 -2.134 3.522 1.00 0.32 C ATOM 1098 CG LEU A 74 1.255 -2.539 2.020 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.799 -1.406 1.161 1.00 0.60 C ATOM 1100 CD2 LEU A 74 2.129 -3.780 1.877 1.00 0.50 C ATOM 0 H LEU A 74 0.958 -1.476 5.885 1.00 0.28 H new ATOM 0 HA LEU A 74 2.874 -3.023 4.393 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.407 -2.839 3.979 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.624 -1.154 3.547 1.00 0.32 H new ATOM 0 HG LEU A 74 0.253 -2.767 1.656 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.885 -1.742 0.128 1.00 0.60 H new ATOM 0 HD12 LEU A 74 1.121 -0.554 1.210 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.781 -1.110 1.529 1.00 0.60 H new ATOM 0 HD21 LEU A 74 2.220 -4.041 0.823 1.00 0.50 H new ATOM 0 HD22 LEU A 74 3.118 -3.578 2.287 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.674 -4.610 2.419 1.00 0.50 H new ATOM 1112 N LEU A 75 3.198 0.230 4.406 1.00 0.32 N ATOM 1113 CA LEU A 75 4.089 1.348 4.100 1.00 0.34 C ATOM 1114 C LEU A 75 5.505 1.036 4.548 1.00 0.33 C ATOM 1115 O LEU A 75 6.447 1.125 3.759 1.00 0.31 O ATOM 1116 CB LEU A 75 3.588 2.628 4.789 1.00 0.38 C ATOM 1117 CG LEU A 75 4.395 3.901 4.541 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.406 4.244 3.069 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.831 5.055 5.351 1.00 0.52 C ATOM 0 H LEU A 75 2.400 0.495 4.983 1.00 0.32 H new ATOM 0 HA LEU A 75 4.092 1.504 3.021 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.562 2.808 4.468 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.559 2.447 5.864 1.00 0.38 H new ATOM 0 HG LEU A 75 5.422 3.724 4.861 1.00 0.45 H new ATOM 0 HD11 LEU A 75 4.986 5.154 2.912 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.856 3.425 2.508 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.384 4.401 2.724 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.418 5.954 5.162 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.795 5.231 5.061 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.874 4.810 6.412 1.00 0.52 H new ATOM 1131 N ASP A 76 5.634 0.625 5.804 1.00 0.35 N ATOM 1132 CA ASP A 76 6.937 0.271 6.391 1.00 0.37 C ATOM 1133 C ASP A 76 7.595 -0.872 5.629 1.00 0.34 C ATOM 1134 O ASP A 76 8.815 -0.891 5.449 1.00 0.35 O ATOM 1135 CB ASP A 76 6.785 -0.100 7.874 1.00 0.45 C ATOM 1136 CG ASP A 76 8.086 -0.587 8.500 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.876 0.258 8.983 1.00 0.69 O ATOM 1138 OD2 ASP A 76 8.359 -1.818 8.500 1.00 0.59 O ATOM 0 H ASP A 76 4.849 0.525 6.447 1.00 0.35 H new ATOM 0 HA ASP A 76 7.581 1.147 6.314 1.00 0.37 H new ATOM 0 HB2 ASP A 76 6.425 0.769 8.426 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.027 -0.877 7.973 1.00 0.45 H new ATOM 1143 N LEU A 77 6.773 -1.788 5.132 1.00 0.34 N ATOM 1144 CA LEU A 77 7.251 -2.940 4.382 1.00 0.35 C ATOM 1145 C LEU A 77 7.937 -2.446 3.107 1.00 0.34 C ATOM 1146 O LEU A 77 9.056 -2.881 2.782 1.00 0.43 O ATOM 1147 CB LEU A 77 6.059 -3.905 4.072 1.00 0.38 C ATOM 1148 CG LEU A 77 6.358 -5.326 3.489 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.906 -5.294 2.067 1.00 1.15 C ATOM 1150 CD2 LEU A 77 7.289 -6.103 4.409 1.00 1.54 C ATOM 0 H LEU A 77 5.759 -1.752 5.238 1.00 0.34 H new ATOM 0 HA LEU A 77 7.978 -3.504 4.967 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.498 -4.041 4.997 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.398 -3.395 3.371 1.00 0.38 H new ATOM 0 HG LEU A 77 5.399 -5.841 3.435 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.091 -6.312 1.725 1.00 1.15 H new ATOM 0 HD12 LEU A 77 6.181 -4.816 1.408 1.00 1.15 H new ATOM 0 HD13 LEU A 77 7.839 -4.730 2.049 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.483 -7.088 3.983 1.00 1.54 H new ATOM 0 HD22 LEU A 77 8.229 -5.562 4.516 1.00 1.54 H new ATOM 0 HD23 LEU A 77 6.822 -6.216 5.388 1.00 1.54 H new ATOM 1162 N ILE A 78 7.305 -1.501 2.422 1.00 0.27 N ATOM 1163 CA ILE A 78 7.871 -0.955 1.202 1.00 0.26 C ATOM 1164 C ILE A 78 9.044 -0.061 1.530 1.00 0.28 C ATOM 1165 O ILE A 78 10.056 -0.106 0.863 1.00 0.33 O ATOM 1166 CB ILE A 78 6.828 -0.200 0.322 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.724 -1.172 -0.098 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.495 0.426 -0.914 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.720 -0.609 -1.086 1.00 0.29 C ATOM 0 H ILE A 78 6.406 -1.101 2.691 1.00 0.27 H new ATOM 0 HA ILE A 78 8.212 -1.801 0.605 1.00 0.26 H new ATOM 0 HB ILE A 78 6.394 0.611 0.907 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.186 -2.057 -0.536 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.190 -1.500 0.794 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.744 0.946 -1.509 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.259 1.135 -0.595 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.955 -0.358 -1.515 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.977 -1.370 -1.324 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.224 0.257 -0.647 1.00 0.29 H new ATOM 0 HD13 ILE A 78 5.236 -0.309 -1.998 1.00 0.29 H new ATOM 1181 N ASN A 79 8.929 0.696 2.601 1.00 0.28 N ATOM 1182 CA ASN A 79 10.003 1.589 3.035 1.00 0.32 C ATOM 1183 C ASN A 79 11.266 0.821 3.380 1.00 0.34 C ATOM 1184 O ASN A 79 12.379 1.279 3.102 1.00 0.37 O ATOM 1185 CB ASN A 79 9.572 2.501 4.196 1.00 0.37 C ATOM 1186 CG ASN A 79 8.647 3.619 3.743 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.707 4.052 2.603 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.818 4.115 4.619 1.00 0.69 N ATOM 0 H ASN A 79 8.100 0.716 3.196 1.00 0.28 H new ATOM 0 HA ASN A 79 10.229 2.236 2.188 1.00 0.32 H new ATOM 0 HB2 ASN A 79 9.070 1.903 4.956 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.457 2.933 4.663 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.200 4.883 4.358 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.788 3.735 5.565 1.00 0.69 H new ATOM 1195 N GLY A 80 11.098 -0.353 3.962 1.00 0.37 N ATOM 1196 CA GLY A 80 12.222 -1.217 4.235 1.00 0.43 C ATOM 1197 C GLY A 80 12.852 -1.721 2.946 1.00 0.42 C ATOM 1198 O GLY A 80 14.068 -1.828 2.838 1.00 0.50 O ATOM 0 H GLY A 80 10.194 -0.725 4.253 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.966 -0.677 4.820 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.895 -2.064 4.839 1.00 0.43 H new ATOM 1202 N ALA A 81 12.015 -1.988 1.959 1.00 0.38 N ATOM 1203 CA ALA A 81 12.467 -2.465 0.660 1.00 0.40 C ATOM 1204 C ALA A 81 13.116 -1.329 -0.141 1.00 0.37 C ATOM 1205 O ALA A 81 14.019 -1.550 -0.931 1.00 0.44 O ATOM 1206 CB ALA A 81 11.305 -3.081 -0.112 1.00 0.42 C ATOM 0 H ALA A 81 11.003 -1.881 2.033 1.00 0.38 H new ATOM 0 HA ALA A 81 13.221 -3.236 0.818 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.658 -3.433 -1.081 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.897 -3.920 0.452 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.528 -2.331 -0.260 1.00 0.42 H new ATOM 1212 N LEU A 82 12.664 -0.109 0.097 1.00 0.35 N ATOM 1213 CA LEU A 82 13.194 1.080 -0.573 1.00 0.39 C ATOM 1214 C LEU A 82 14.658 1.305 -0.242 1.00 0.53 C ATOM 1215 O LEU A 82 15.387 1.923 -1.011 1.00 0.67 O ATOM 1216 CB LEU A 82 12.377 2.326 -0.218 1.00 0.39 C ATOM 1217 CG LEU A 82 10.931 2.335 -0.707 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.228 3.603 -0.285 1.00 0.49 C ATOM 1219 CD2 LEU A 82 10.880 2.177 -2.208 1.00 0.49 C ATOM 0 H LEU A 82 11.917 0.092 0.762 1.00 0.35 H new ATOM 0 HA LEU A 82 13.112 0.903 -1.645 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.375 2.439 0.866 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.885 3.199 -0.628 1.00 0.39 H new ATOM 0 HG LEU A 82 10.413 1.491 -0.251 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.199 3.586 -0.645 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.231 3.676 0.803 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.746 4.464 -0.707 1.00 0.49 H new ATOM 0 HD21 LEU A 82 9.842 2.186 -2.540 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.418 3.000 -2.679 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.343 1.232 -2.490 1.00 0.49 H new ATOM 1231 N ALA A 83 15.088 0.781 0.890 1.00 0.63 N ATOM 1232 CA ALA A 83 16.469 0.893 1.325 1.00 0.81 C ATOM 1233 C ALA A 83 17.419 0.153 0.375 1.00 0.84 C ATOM 1234 O ALA A 83 18.619 0.431 0.336 1.00 1.00 O ATOM 1235 CB ALA A 83 16.619 0.374 2.743 1.00 0.99 C ATOM 0 H ALA A 83 14.490 0.265 1.535 1.00 0.63 H new ATOM 0 HA ALA A 83 16.741 1.948 1.307 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.659 0.464 3.055 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.987 0.957 3.413 1.00 0.99 H new ATOM 0 HB3 ALA A 83 16.318 -0.673 2.781 1.00 0.99 H new ATOM 1241 N GLU A 84 16.886 -0.780 -0.395 1.00 0.79 N ATOM 1242 CA GLU A 84 17.687 -1.538 -1.340 1.00 0.94 C ATOM 1243 C GLU A 84 17.201 -1.289 -2.772 1.00 0.95 C ATOM 1244 O GLU A 84 17.602 -1.982 -3.714 1.00 1.34 O ATOM 1245 CB GLU A 84 17.624 -3.031 -1.012 1.00 1.11 C ATOM 1246 CG GLU A 84 16.229 -3.614 -1.081 1.00 1.64 C ATOM 1247 CD GLU A 84 16.198 -5.073 -0.801 1.00 1.84 C ATOM 1248 OE1 GLU A 84 16.095 -5.463 0.372 1.00 2.18 O ATOM 1249 OE2 GLU A 84 16.283 -5.868 -1.749 1.00 2.22 O ATOM 0 H GLU A 84 15.898 -1.031 -0.384 1.00 0.79 H new ATOM 0 HA GLU A 84 18.722 -1.206 -1.261 1.00 0.94 H new ATOM 0 HB2 GLU A 84 18.269 -3.573 -1.704 1.00 1.11 H new ATOM 0 HB3 GLU A 84 18.025 -3.191 -0.011 1.00 1.11 H new ATOM 0 HG2 GLU A 84 15.589 -3.098 -0.365 1.00 1.64 H new ATOM 0 HG3 GLU A 84 15.812 -3.430 -2.071 1.00 1.64 H new