USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 -57:sc= 2.05 USER MOD Set 1.2: A 48 THR OG1 : rot -28:sc= 0.874 USER MOD Single : A 3 THR OG1 : rot 27:sc= 0.379 USER MOD Single : A 6 THR OG1 : rot -77:sc= 1.94 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -84:sc= 1.13 USER MOD Single : A 27 SER OG : rot 180:sc= 0.852 USER MOD Single : A 40 TYR OH : rot -150:sc= -0.2 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 46 MET CE :methyl -143:sc= -0.575 (180deg=-1.25) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 150:sc= -0.0427 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 79 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -13.869 10.313 1.900 1.00 1.35 N ATOM 31 CA THR A 3 -12.454 10.460 2.112 1.00 1.15 C ATOM 32 C THR A 3 -11.782 9.154 1.740 1.00 1.02 C ATOM 33 O THR A 3 -11.933 8.146 2.445 1.00 1.25 O ATOM 34 CB THR A 3 -12.193 10.706 3.593 1.00 1.52 C ATOM 35 OG1 THR A 3 -13.142 11.663 4.117 1.00 2.18 O ATOM 36 CG2 THR A 3 -10.770 11.215 3.811 1.00 1.91 C ATOM 0 HA THR A 3 -12.073 11.288 1.515 1.00 1.15 H new ATOM 0 HB THR A 3 -12.311 9.761 4.122 1.00 1.52 H new ATOM 0 HG1 THR A 3 -13.968 11.626 3.591 1.00 2.18 H new ATOM 0 HG21 THR A 3 -10.603 11.385 4.875 1.00 1.91 H new ATOM 0 HG22 THR A 3 -10.059 10.474 3.446 1.00 1.91 H new ATOM 0 HG23 THR A 3 -10.631 12.150 3.268 1.00 1.91 H new ATOM 44 N LEU A 4 -11.105 9.135 0.634 1.00 0.80 N ATOM 45 CA LEU A 4 -10.454 7.935 0.195 1.00 0.74 C ATOM 46 C LEU A 4 -8.947 8.116 0.263 1.00 0.68 C ATOM 47 O LEU A 4 -8.470 9.178 0.646 1.00 0.89 O ATOM 48 CB LEU A 4 -10.914 7.550 -1.224 1.00 0.74 C ATOM 49 CG LEU A 4 -12.442 7.432 -1.444 1.00 0.89 C ATOM 50 CD1 LEU A 4 -12.754 6.900 -2.831 1.00 1.00 C ATOM 51 CD2 LEU A 4 -13.109 6.575 -0.368 1.00 1.10 C ATOM 0 H LEU A 4 -10.987 9.938 0.016 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.732 7.115 0.857 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.525 8.291 -1.922 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -10.457 6.595 -1.484 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.857 8.437 -1.362 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -13.834 6.827 -2.958 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -12.345 7.577 -3.581 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -12.307 5.913 -2.951 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -14.180 6.518 -0.560 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -12.684 5.572 -0.386 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -12.939 7.023 0.611 1.00 1.10 H new ATOM 63 N LEU A 5 -8.209 7.072 -0.066 1.00 0.59 N ATOM 64 CA LEU A 5 -6.748 7.126 -0.040 1.00 0.61 C ATOM 65 C LEU A 5 -6.208 8.114 -1.028 1.00 0.53 C ATOM 66 O LEU A 5 -6.526 8.046 -2.225 1.00 0.53 O ATOM 67 CB LEU A 5 -6.115 5.772 -0.351 1.00 0.76 C ATOM 68 CG LEU A 5 -6.206 4.688 0.696 1.00 0.75 C ATOM 69 CD1 LEU A 5 -5.514 3.452 0.182 1.00 1.16 C ATOM 70 CD2 LEU A 5 -5.549 5.143 1.983 1.00 1.48 C ATOM 0 H LEU A 5 -8.592 6.172 -0.356 1.00 0.59 H new ATOM 0 HA LEU A 5 -6.490 7.430 0.974 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -6.572 5.392 -1.265 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -5.060 5.939 -0.568 1.00 0.76 H new ATOM 0 HG LEU A 5 -7.254 4.470 0.900 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -5.574 2.663 0.932 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -5.999 3.119 -0.736 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -4.468 3.679 -0.022 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -5.622 4.351 2.729 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -4.499 5.369 1.796 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -6.052 6.037 2.352 1.00 1.48 H new ATOM 82 N THR A 6 -5.420 9.023 -0.540 1.00 0.60 N ATOM 83 CA THR A 6 -4.732 9.929 -1.384 1.00 0.62 C ATOM 84 C THR A 6 -3.365 9.337 -1.698 1.00 0.56 C ATOM 85 O THR A 6 -3.061 8.194 -1.294 1.00 0.55 O ATOM 86 CB THR A 6 -4.547 11.309 -0.706 1.00 0.80 C ATOM 87 OG1 THR A 6 -3.763 11.158 0.496 1.00 0.88 O ATOM 88 CG2 THR A 6 -5.892 11.926 -0.360 1.00 0.93 C ATOM 0 H THR A 6 -5.241 9.151 0.456 1.00 0.60 H new ATOM 0 HA THR A 6 -5.316 10.080 -2.292 1.00 0.62 H new ATOM 0 HB THR A 6 -4.031 11.969 -1.403 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.327 10.795 1.211 1.00 0.88 H new ATOM 0 HG21 THR A 6 -5.737 12.895 0.115 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.477 12.058 -1.270 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.429 11.268 0.324 1.00 0.93 H new ATOM 96 N THR A 7 -2.540 10.100 -2.344 1.00 0.59 N ATOM 97 CA THR A 7 -1.204 9.698 -2.628 1.00 0.58 C ATOM 98 C THR A 7 -0.426 9.717 -1.297 1.00 0.47 C ATOM 99 O THR A 7 0.294 8.764 -0.946 1.00 0.45 O ATOM 100 CB THR A 7 -0.608 10.713 -3.618 1.00 0.70 C ATOM 101 OG1 THR A 7 -1.573 10.950 -4.663 1.00 1.31 O ATOM 102 CG2 THR A 7 0.653 10.167 -4.246 1.00 1.10 C ATOM 0 H THR A 7 -2.780 11.028 -2.691 1.00 0.59 H new ATOM 0 HA THR A 7 -1.156 8.701 -3.066 1.00 0.58 H new ATOM 0 HB THR A 7 -0.370 11.633 -3.085 1.00 0.70 H new ATOM 0 HG1 THR A 7 -1.210 11.597 -5.303 1.00 1.31 H new ATOM 0 HG21 THR A 7 1.059 10.900 -4.943 1.00 1.10 H new ATOM 0 HG22 THR A 7 1.387 9.961 -3.467 1.00 1.10 H new ATOM 0 HG23 THR A 7 0.423 9.246 -4.781 1.00 1.10 H new ATOM 110 N ASP A 8 -0.637 10.790 -0.548 1.00 0.52 N ATOM 111 CA ASP A 8 -0.006 11.010 0.741 1.00 0.54 C ATOM 112 C ASP A 8 -0.393 9.920 1.737 1.00 0.48 C ATOM 113 O ASP A 8 0.479 9.336 2.363 1.00 0.52 O ATOM 114 CB ASP A 8 -0.399 12.376 1.284 1.00 0.71 C ATOM 115 CG ASP A 8 0.350 12.770 2.537 1.00 1.19 C ATOM 116 OD1 ASP A 8 1.401 13.416 2.430 1.00 1.67 O ATOM 117 OD2 ASP A 8 -0.126 12.508 3.644 1.00 1.79 O ATOM 0 H ASP A 8 -1.264 11.545 -0.827 1.00 0.52 H new ATOM 0 HA ASP A 8 1.075 10.973 0.602 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -0.223 13.128 0.514 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -1.469 12.380 1.494 1.00 0.71 H new ATOM 122 N ASP A 9 -1.711 9.622 1.850 1.00 0.50 N ATOM 123 CA ASP A 9 -2.210 8.564 2.789 1.00 0.59 C ATOM 124 C ASP A 9 -1.517 7.240 2.549 1.00 0.52 C ATOM 125 O ASP A 9 -1.137 6.542 3.499 1.00 0.60 O ATOM 126 CB ASP A 9 -3.741 8.319 2.706 1.00 0.80 C ATOM 127 CG ASP A 9 -4.616 9.398 3.323 1.00 1.24 C ATOM 128 OD1 ASP A 9 -4.909 10.416 2.648 1.00 1.68 O ATOM 129 OD2 ASP A 9 -4.969 9.280 4.505 1.00 2.00 O ATOM 0 H ASP A 9 -2.445 10.087 1.315 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.979 8.951 3.781 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -4.016 8.210 1.657 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.966 7.371 3.195 1.00 0.80 H new ATOM 134 N LEU A 10 -1.341 6.898 1.282 1.00 0.46 N ATOM 135 CA LEU A 10 -0.690 5.658 0.913 1.00 0.48 C ATOM 136 C LEU A 10 0.775 5.691 1.327 1.00 0.45 C ATOM 137 O LEU A 10 1.271 4.741 1.931 1.00 0.51 O ATOM 138 CB LEU A 10 -0.802 5.394 -0.589 1.00 0.52 C ATOM 139 CG LEU A 10 -0.217 4.059 -1.069 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.996 2.888 -0.498 1.00 1.07 C ATOM 141 CD2 LEU A 10 -0.189 3.994 -2.572 1.00 1.19 C ATOM 0 H LEU A 10 -1.643 7.467 0.491 1.00 0.46 H new ATOM 0 HA LEU A 10 -1.195 4.847 1.437 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.855 5.432 -0.870 1.00 0.52 H new ATOM 0 HB3 LEU A 10 -0.301 6.203 -1.121 1.00 0.52 H new ATOM 0 HG LEU A 10 0.809 3.994 -0.706 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.561 1.954 -0.853 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.952 2.918 0.591 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -2.035 2.950 -0.821 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.230 3.038 -2.887 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -1.203 4.091 -2.959 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.427 4.805 -2.960 1.00 1.19 H new ATOM 153 N ARG A 11 1.449 6.808 1.026 1.00 0.42 N ATOM 154 CA ARG A 11 2.865 6.994 1.370 1.00 0.47 C ATOM 155 C ARG A 11 3.090 6.766 2.859 1.00 0.47 C ATOM 156 O ARG A 11 4.010 6.044 3.247 1.00 0.53 O ATOM 157 CB ARG A 11 3.358 8.400 0.970 1.00 0.56 C ATOM 158 CG ARG A 11 4.811 8.677 1.359 1.00 0.83 C ATOM 159 CD ARG A 11 5.274 10.071 0.953 1.00 0.87 C ATOM 160 NE ARG A 11 4.488 11.142 1.580 1.00 0.97 N ATOM 161 CZ ARG A 11 4.878 12.423 1.681 1.00 1.40 C ATOM 162 NH1 ARG A 11 6.122 12.774 1.388 1.00 1.87 N ATOM 163 NH2 ARG A 11 4.038 13.339 2.126 1.00 1.87 N ATOM 0 H ARG A 11 1.033 7.603 0.541 1.00 0.42 H new ATOM 0 HA ARG A 11 3.441 6.258 0.809 1.00 0.47 H new ATOM 0 HB2 ARG A 11 3.251 8.520 -0.108 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.717 9.147 1.439 1.00 0.56 H new ATOM 0 HG2 ARG A 11 4.922 8.562 2.437 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.456 7.934 0.890 1.00 0.83 H new ATOM 0 HD2 ARG A 11 6.323 10.192 1.223 1.00 0.87 H new ATOM 0 HD3 ARG A 11 5.210 10.168 -0.131 1.00 0.87 H new ATOM 0 HE ARG A 11 3.578 10.894 1.968 1.00 0.97 H new ATOM 0 HH11 ARG A 11 6.792 12.069 1.083 1.00 1.87 H new ATOM 0 HH12 ARG A 11 6.409 13.750 1.468 1.00 1.87 H new ATOM 0 HH21 ARG A 11 3.090 13.074 2.394 1.00 1.87 H new ATOM 0 HH22 ARG A 11 4.337 14.311 2.202 1.00 1.87 H new ATOM 177 N ARG A 12 2.200 7.338 3.674 1.00 0.46 N ATOM 178 CA ARG A 12 2.274 7.233 5.141 1.00 0.52 C ATOM 179 C ARG A 12 2.326 5.773 5.577 1.00 0.55 C ATOM 180 O ARG A 12 3.095 5.411 6.474 1.00 0.65 O ATOM 181 CB ARG A 12 1.050 7.856 5.795 1.00 0.53 C ATOM 182 CG ARG A 12 0.732 9.262 5.371 1.00 1.03 C ATOM 183 CD ARG A 12 -0.541 9.700 6.030 1.00 1.16 C ATOM 184 NE ARG A 12 -1.140 10.862 5.411 1.00 1.72 N ATOM 185 CZ ARG A 12 -2.401 11.245 5.596 1.00 2.32 C ATOM 186 NH1 ARG A 12 -3.133 10.691 6.563 1.00 2.40 N ATOM 187 NH2 ARG A 12 -2.910 12.213 4.838 1.00 3.33 N ATOM 0 H ARG A 12 1.408 7.887 3.340 1.00 0.46 H new ATOM 0 HA ARG A 12 3.178 7.758 5.450 1.00 0.52 H new ATOM 0 HB2 ARG A 12 0.186 7.227 5.581 1.00 0.53 H new ATOM 0 HB3 ARG A 12 1.192 7.845 6.876 1.00 0.53 H new ATOM 0 HG2 ARG A 12 1.547 9.931 5.647 1.00 1.03 H new ATOM 0 HG3 ARG A 12 0.631 9.313 4.287 1.00 1.03 H new ATOM 0 HD2 ARG A 12 -1.255 8.877 6.007 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -0.341 9.919 7.079 1.00 1.16 H new ATOM 0 HE ARG A 12 -0.557 11.425 4.792 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -2.727 9.973 7.162 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -4.099 10.986 6.704 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -2.335 12.656 4.122 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -3.876 12.512 4.973 1.00 3.33 H new ATOM 201 N ALA A 13 1.518 4.946 4.921 1.00 0.52 N ATOM 202 CA ALA A 13 1.422 3.534 5.241 1.00 0.58 C ATOM 203 C ALA A 13 2.735 2.819 4.969 1.00 0.59 C ATOM 204 O ALA A 13 3.244 2.116 5.841 1.00 0.67 O ATOM 205 CB ALA A 13 0.286 2.885 4.473 1.00 0.62 C ATOM 0 H ALA A 13 0.913 5.240 4.154 1.00 0.52 H new ATOM 0 HA ALA A 13 1.209 3.446 6.306 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.232 1.827 4.728 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.654 3.370 4.736 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.463 2.992 3.403 1.00 0.62 H new ATOM 211 N LEU A 14 3.287 3.025 3.768 1.00 0.56 N ATOM 212 CA LEU A 14 4.569 2.434 3.389 1.00 0.63 C ATOM 213 C LEU A 14 5.675 2.856 4.343 1.00 0.73 C ATOM 214 O LEU A 14 6.468 2.017 4.791 1.00 0.95 O ATOM 215 CB LEU A 14 4.960 2.760 1.931 1.00 0.64 C ATOM 216 CG LEU A 14 4.252 1.964 0.814 1.00 0.72 C ATOM 217 CD1 LEU A 14 2.776 2.285 0.700 1.00 1.05 C ATOM 218 CD2 LEU A 14 4.952 2.153 -0.517 1.00 1.24 C ATOM 0 H LEU A 14 2.861 3.600 3.041 1.00 0.56 H new ATOM 0 HA LEU A 14 4.444 1.353 3.458 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.773 3.820 1.760 1.00 0.64 H new ATOM 0 HB3 LEU A 14 6.034 2.605 1.827 1.00 0.64 H new ATOM 0 HG LEU A 14 4.318 0.914 1.097 1.00 0.72 H new ATOM 0 HD11 LEU A 14 2.336 1.693 -0.103 1.00 1.05 H new ATOM 0 HD12 LEU A 14 2.278 2.048 1.640 1.00 1.05 H new ATOM 0 HD13 LEU A 14 2.650 3.345 0.480 1.00 1.05 H new ATOM 0 HD21 LEU A 14 4.432 1.581 -1.286 1.00 1.24 H new ATOM 0 HD22 LEU A 14 4.946 3.210 -0.784 1.00 1.24 H new ATOM 0 HD23 LEU A 14 5.982 1.804 -0.439 1.00 1.24 H new ATOM 230 N VAL A 15 5.703 4.139 4.677 1.00 0.69 N ATOM 231 CA VAL A 15 6.681 4.681 5.619 1.00 0.80 C ATOM 232 C VAL A 15 6.548 3.978 6.973 1.00 0.85 C ATOM 233 O VAL A 15 7.519 3.447 7.493 1.00 1.00 O ATOM 234 CB VAL A 15 6.510 6.219 5.803 1.00 0.85 C ATOM 235 CG1 VAL A 15 7.477 6.755 6.859 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.752 6.936 4.486 1.00 0.93 C ATOM 0 H VAL A 15 5.053 4.833 4.307 1.00 0.69 H new ATOM 0 HA VAL A 15 7.674 4.501 5.208 1.00 0.80 H new ATOM 0 HB VAL A 15 5.489 6.405 6.136 1.00 0.85 H new ATOM 0 HG11 VAL A 15 7.337 7.830 6.968 1.00 0.98 H new ATOM 0 HG12 VAL A 15 7.282 6.265 7.813 1.00 0.98 H new ATOM 0 HG13 VAL A 15 8.502 6.552 6.550 1.00 0.98 H new ATOM 0 HG21 VAL A 15 6.629 8.010 4.628 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.765 6.729 4.140 1.00 0.93 H new ATOM 0 HG23 VAL A 15 6.036 6.584 3.743 1.00 0.93 H new ATOM 246 N GLU A 16 5.341 3.947 7.515 1.00 0.83 N ATOM 247 CA GLU A 16 5.094 3.316 8.807 1.00 0.98 C ATOM 248 C GLU A 16 5.377 1.801 8.811 1.00 1.01 C ATOM 249 O GLU A 16 5.573 1.211 9.877 1.00 1.21 O ATOM 250 CB GLU A 16 3.705 3.667 9.335 1.00 1.12 C ATOM 251 CG GLU A 16 3.626 5.102 9.851 1.00 1.25 C ATOM 252 CD GLU A 16 2.231 5.563 10.175 1.00 1.62 C ATOM 253 OE1 GLU A 16 1.497 4.824 10.860 1.00 1.93 O ATOM 254 OE2 GLU A 16 1.845 6.692 9.814 1.00 2.18 O ATOM 0 H GLU A 16 4.512 4.353 7.080 1.00 0.83 H new ATOM 0 HA GLU A 16 5.819 3.733 9.506 1.00 0.98 H new ATOM 0 HB2 GLU A 16 2.971 3.528 8.541 1.00 1.12 H new ATOM 0 HB3 GLU A 16 3.440 2.979 10.138 1.00 1.12 H new ATOM 0 HG2 GLU A 16 4.243 5.189 10.745 1.00 1.25 H new ATOM 0 HG3 GLU A 16 4.053 5.770 9.103 1.00 1.25 H new ATOM 261 N SER A 17 5.393 1.185 7.642 1.00 0.92 N ATOM 262 CA SER A 17 5.795 -0.199 7.518 1.00 1.03 C ATOM 263 C SER A 17 7.332 -0.320 7.469 1.00 1.14 C ATOM 264 O SER A 17 7.934 -1.088 8.242 1.00 1.40 O ATOM 265 CB SER A 17 5.161 -0.841 6.273 1.00 0.97 C ATOM 266 OG SER A 17 3.745 -0.900 6.394 1.00 1.65 O ATOM 0 H SER A 17 5.130 1.628 6.762 1.00 0.92 H new ATOM 0 HA SER A 17 5.439 -0.735 8.398 1.00 1.03 H new ATOM 0 HB2 SER A 17 5.430 -0.267 5.387 1.00 0.97 H new ATOM 0 HB3 SER A 17 5.560 -1.846 6.135 1.00 0.97 H new ATOM 0 HG SER A 17 3.506 -1.396 7.205 1.00 1.65 H new ATOM 272 N ALA A 18 7.960 0.464 6.597 1.00 1.07 N ATOM 273 CA ALA A 18 9.403 0.407 6.386 1.00 1.24 C ATOM 274 C ALA A 18 10.171 0.878 7.607 1.00 1.33 C ATOM 275 O ALA A 18 11.101 0.201 8.063 1.00 1.59 O ATOM 276 CB ALA A 18 9.797 1.226 5.168 1.00 1.29 C ATOM 0 H ALA A 18 7.484 1.155 6.018 1.00 1.07 H new ATOM 0 HA ALA A 18 9.665 -0.637 6.212 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.876 1.172 5.027 1.00 1.29 H new ATOM 0 HB2 ALA A 18 9.295 0.830 4.285 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.503 2.265 5.317 1.00 1.29 H new ATOM 282 N GLY A 19 9.770 2.004 8.129 1.00 1.34 N ATOM 283 CA GLY A 19 10.410 2.591 9.263 1.00 1.54 C ATOM 284 C GLY A 19 10.154 4.064 9.280 1.00 1.61 C ATOM 285 O GLY A 19 10.152 4.712 8.221 1.00 2.24 O ATOM 0 H GLY A 19 8.981 2.542 7.772 1.00 1.34 H new ATOM 0 HA2 GLY A 19 10.035 2.136 10.180 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.482 2.399 9.227 1.00 1.54 H new ATOM 289 N GLU A 20 9.939 4.600 10.439 1.00 1.53 N ATOM 290 CA GLU A 20 9.630 5.995 10.577 1.00 1.66 C ATOM 291 C GLU A 20 10.895 6.807 10.337 1.00 1.69 C ATOM 292 O GLU A 20 11.861 6.705 11.096 1.00 2.04 O ATOM 293 CB GLU A 20 9.032 6.267 11.957 1.00 2.11 C ATOM 294 CG GLU A 20 8.598 7.698 12.166 1.00 2.61 C ATOM 295 CD GLU A 20 7.975 7.920 13.513 1.00 3.24 C ATOM 296 OE1 GLU A 20 8.712 7.933 14.534 1.00 3.36 O ATOM 297 OE2 GLU A 20 6.749 8.115 13.594 1.00 3.97 O ATOM 0 H GLU A 20 9.972 4.086 11.319 1.00 1.53 H new ATOM 0 HA GLU A 20 8.885 6.291 9.839 1.00 1.66 H new ATOM 0 HB2 GLU A 20 8.173 5.612 12.105 1.00 2.11 H new ATOM 0 HB3 GLU A 20 9.767 6.006 12.718 1.00 2.11 H new ATOM 0 HG2 GLU A 20 9.460 8.355 12.056 1.00 2.61 H new ATOM 0 HG3 GLU A 20 7.885 7.975 11.390 1.00 2.61 H new ATOM 304 N THR A 21 10.886 7.570 9.252 1.00 1.88 N ATOM 305 CA THR A 21 12.031 8.360 8.810 1.00 2.20 C ATOM 306 C THR A 21 13.216 7.409 8.477 1.00 2.10 C ATOM 307 O THR A 21 14.385 7.739 8.626 1.00 2.75 O ATOM 308 CB THR A 21 12.424 9.431 9.880 1.00 2.92 C ATOM 309 OG1 THR A 21 11.222 10.091 10.328 1.00 3.25 O ATOM 310 CG2 THR A 21 13.346 10.499 9.286 1.00 3.47 C ATOM 0 H THR A 21 10.072 7.660 8.644 1.00 1.88 H new ATOM 0 HA THR A 21 11.764 8.907 7.906 1.00 2.20 H new ATOM 0 HB THR A 21 12.941 8.927 10.696 1.00 2.92 H new ATOM 0 HG1 THR A 21 11.451 10.765 11.001 1.00 3.25 H new ATOM 0 HG21 THR A 21 13.601 11.228 10.055 1.00 3.47 H new ATOM 0 HG22 THR A 21 14.257 10.028 8.916 1.00 3.47 H new ATOM 0 HG23 THR A 21 12.838 11.002 8.463 1.00 3.47 H new ATOM 318 N ASP A 22 12.864 6.235 7.959 1.00 1.66 N ATOM 319 CA ASP A 22 13.843 5.215 7.555 1.00 1.92 C ATOM 320 C ASP A 22 14.767 5.727 6.469 1.00 2.00 C ATOM 321 O ASP A 22 15.990 5.597 6.557 1.00 2.52 O ATOM 322 CB ASP A 22 13.122 3.959 7.069 1.00 2.44 C ATOM 323 CG ASP A 22 14.040 2.974 6.388 1.00 3.14 C ATOM 324 OD1 ASP A 22 14.779 2.250 7.095 1.00 3.81 O ATOM 325 OD2 ASP A 22 14.047 2.909 5.162 1.00 3.47 O ATOM 0 H ASP A 22 11.894 5.959 7.805 1.00 1.66 H new ATOM 0 HA ASP A 22 14.449 4.974 8.428 1.00 1.92 H new ATOM 0 HB2 ASP A 22 12.642 3.472 7.918 1.00 2.44 H new ATOM 0 HB3 ASP A 22 12.330 4.247 6.377 1.00 2.44 H new ATOM 330 N GLY A 23 14.189 6.346 5.478 1.00 1.96 N ATOM 331 CA GLY A 23 14.962 6.834 4.366 1.00 2.29 C ATOM 332 C GLY A 23 14.393 6.370 3.068 1.00 1.79 C ATOM 333 O GLY A 23 14.880 6.718 2.000 1.00 2.14 O ATOM 0 H GLY A 23 13.187 6.525 5.416 1.00 1.96 H new ATOM 0 HA2 GLY A 23 14.986 7.924 4.387 1.00 2.29 H new ATOM 0 HA3 GLY A 23 15.992 6.491 4.458 1.00 2.29 H new ATOM 337 N THR A 24 13.387 5.559 3.172 1.00 1.42 N ATOM 338 CA THR A 24 12.648 5.062 2.063 1.00 1.57 C ATOM 339 C THR A 24 11.850 6.215 1.432 1.00 1.79 C ATOM 340 O THR A 24 10.887 6.726 2.024 1.00 2.50 O ATOM 341 CB THR A 24 11.731 3.970 2.607 1.00 2.00 C ATOM 342 OG1 THR A 24 11.794 4.007 4.064 1.00 2.76 O ATOM 343 CG2 THR A 24 12.205 2.614 2.126 1.00 2.01 C ATOM 0 H THR A 24 13.048 5.214 4.070 1.00 1.42 H new ATOM 0 HA THR A 24 13.291 4.651 1.285 1.00 1.57 H new ATOM 0 HB THR A 24 10.711 4.134 2.261 1.00 2.00 H new ATOM 0 HG1 THR A 24 12.572 3.496 4.371 1.00 2.76 H new ATOM 0 HG21 THR A 24 11.547 1.839 2.517 1.00 2.01 H new ATOM 0 HG22 THR A 24 12.188 2.588 1.036 1.00 2.01 H new ATOM 0 HG23 THR A 24 13.222 2.438 2.478 1.00 2.01 H new ATOM 351 N ASP A 25 12.320 6.679 0.291 1.00 1.60 N ATOM 352 CA ASP A 25 11.746 7.834 -0.378 1.00 1.91 C ATOM 353 C ASP A 25 10.538 7.465 -1.206 1.00 1.36 C ATOM 354 O ASP A 25 10.657 6.932 -2.303 1.00 1.34 O ATOM 355 CB ASP A 25 12.766 8.571 -1.280 1.00 2.62 C ATOM 356 CG ASP A 25 13.914 9.220 -0.540 1.00 3.27 C ATOM 357 OD1 ASP A 25 13.727 10.315 0.046 1.00 3.79 O ATOM 358 OD2 ASP A 25 15.038 8.670 -0.555 1.00 3.69 O ATOM 0 H ASP A 25 13.112 6.266 -0.201 1.00 1.60 H new ATOM 0 HA ASP A 25 11.442 8.507 0.423 1.00 1.91 H new ATOM 0 HB2 ASP A 25 13.172 7.861 -2.001 1.00 2.62 H new ATOM 0 HB3 ASP A 25 12.239 9.337 -1.849 1.00 2.62 H new ATOM 363 N LEU A 26 9.379 7.717 -0.663 1.00 1.18 N ATOM 364 CA LEU A 26 8.136 7.556 -1.387 1.00 0.83 C ATOM 365 C LEU A 26 7.584 8.947 -1.671 1.00 0.82 C ATOM 366 O LEU A 26 6.436 9.126 -2.085 1.00 0.85 O ATOM 367 CB LEU A 26 7.085 6.720 -0.595 1.00 1.19 C ATOM 368 CG LEU A 26 7.398 5.232 -0.279 1.00 0.80 C ATOM 369 CD1 LEU A 26 7.879 4.476 -1.502 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.351 5.068 0.893 1.00 0.87 C ATOM 0 H LEU A 26 9.263 8.041 0.297 1.00 1.18 H new ATOM 0 HA LEU A 26 8.335 7.009 -2.308 1.00 0.83 H new ATOM 0 HB2 LEU A 26 6.905 7.228 0.352 1.00 1.19 H new ATOM 0 HB3 LEU A 26 6.150 6.749 -1.155 1.00 1.19 H new ATOM 0 HG LEU A 26 6.452 4.784 0.025 1.00 0.80 H new ATOM 0 HD11 LEU A 26 8.085 3.440 -1.232 1.00 0.94 H new ATOM 0 HD12 LEU A 26 7.109 4.503 -2.273 1.00 0.94 H new ATOM 0 HD13 LEU A 26 8.789 4.940 -1.882 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.533 4.008 1.068 1.00 0.87 H new ATOM 0 HD22 LEU A 26 9.294 5.566 0.668 1.00 0.87 H new ATOM 0 HD23 LEU A 26 7.910 5.512 1.785 1.00 0.87 H new ATOM 382 N SER A 27 8.414 9.924 -1.443 1.00 0.91 N ATOM 383 CA SER A 27 8.062 11.288 -1.632 1.00 0.99 C ATOM 384 C SER A 27 8.309 11.734 -3.057 1.00 1.04 C ATOM 385 O SER A 27 9.350 11.415 -3.648 1.00 1.44 O ATOM 386 CB SER A 27 8.827 12.138 -0.661 1.00 1.16 C ATOM 387 OG SER A 27 8.558 11.716 0.671 1.00 1.55 O ATOM 0 H SER A 27 9.370 9.785 -1.115 1.00 0.91 H new ATOM 0 HA SER A 27 6.994 11.402 -1.445 1.00 0.99 H new ATOM 0 HB2 SER A 27 9.895 12.066 -0.865 1.00 1.16 H new ATOM 0 HB3 SER A 27 8.548 13.185 -0.783 1.00 1.16 H new ATOM 0 HG SER A 27 9.062 12.274 1.299 1.00 1.55 H new ATOM 393 N GLY A 28 7.334 12.422 -3.604 1.00 1.36 N ATOM 394 CA GLY A 28 7.434 12.966 -4.935 1.00 1.53 C ATOM 395 C GLY A 28 7.313 11.914 -6.015 1.00 1.44 C ATOM 396 O GLY A 28 8.257 11.715 -6.784 1.00 2.11 O ATOM 0 H GLY A 28 6.449 12.620 -3.137 1.00 1.36 H new ATOM 0 HA2 GLY A 28 6.654 13.714 -5.075 1.00 1.53 H new ATOM 0 HA3 GLY A 28 8.390 13.479 -5.041 1.00 1.53 H new ATOM 400 N ASP A 29 6.154 11.251 -6.071 1.00 1.11 N ATOM 401 CA ASP A 29 5.849 10.203 -7.059 1.00 1.05 C ATOM 402 C ASP A 29 6.516 8.896 -6.755 1.00 0.88 C ATOM 403 O ASP A 29 7.720 8.718 -6.975 1.00 1.07 O ATOM 404 CB ASP A 29 6.079 10.613 -8.522 1.00 1.32 C ATOM 405 CG ASP A 29 4.875 11.250 -9.149 1.00 1.67 C ATOM 406 OD1 ASP A 29 3.983 10.530 -9.663 1.00 2.12 O ATOM 407 OD2 ASP A 29 4.790 12.491 -9.151 1.00 2.27 O ATOM 0 H ASP A 29 5.387 11.428 -5.422 1.00 1.11 H new ATOM 0 HA ASP A 29 4.773 10.060 -6.954 1.00 1.05 H new ATOM 0 HB2 ASP A 29 6.918 11.308 -8.571 1.00 1.32 H new ATOM 0 HB3 ASP A 29 6.360 9.733 -9.100 1.00 1.32 H new ATOM 412 N PHE A 30 5.733 7.972 -6.259 1.00 0.67 N ATOM 413 CA PHE A 30 6.236 6.676 -5.887 1.00 0.55 C ATOM 414 C PHE A 30 5.360 5.567 -6.451 1.00 0.42 C ATOM 415 O PHE A 30 5.641 4.397 -6.262 1.00 0.41 O ATOM 416 CB PHE A 30 6.320 6.546 -4.353 1.00 0.56 C ATOM 417 CG PHE A 30 4.989 6.465 -3.627 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.183 7.580 -3.476 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.557 5.264 -3.089 1.00 0.52 C ATOM 420 CE1 PHE A 30 2.982 7.501 -2.809 1.00 0.74 C ATOM 421 CE2 PHE A 30 3.356 5.183 -2.420 1.00 0.60 C ATOM 422 CZ PHE A 30 2.570 6.303 -2.281 1.00 0.69 C ATOM 0 H PHE A 30 4.733 8.097 -6.102 1.00 0.67 H new ATOM 0 HA PHE A 30 7.237 6.576 -6.307 1.00 0.55 H new ATOM 0 HB2 PHE A 30 6.899 5.654 -4.113 1.00 0.56 H new ATOM 0 HB3 PHE A 30 6.874 7.400 -3.964 1.00 0.56 H new ATOM 0 HD1 PHE A 30 4.501 8.526 -3.888 1.00 0.68 H new ATOM 0 HD2 PHE A 30 5.169 4.381 -3.195 1.00 0.52 H new ATOM 0 HE1 PHE A 30 2.364 8.380 -2.701 1.00 0.74 H new ATOM 0 HE2 PHE A 30 3.031 4.240 -2.005 1.00 0.60 H new ATOM 0 HZ PHE A 30 1.628 6.240 -1.756 1.00 0.69 H new ATOM 432 N LEU A 31 4.324 5.925 -7.181 1.00 0.39 N ATOM 433 CA LEU A 31 3.373 4.934 -7.677 1.00 0.35 C ATOM 434 C LEU A 31 3.988 4.065 -8.764 1.00 0.38 C ATOM 435 O LEU A 31 3.605 2.909 -8.941 1.00 0.50 O ATOM 436 CB LEU A 31 2.089 5.600 -8.189 1.00 0.39 C ATOM 437 CG LEU A 31 1.252 6.363 -7.159 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.017 6.959 -7.816 1.00 1.17 C ATOM 439 CD2 LEU A 31 0.856 5.461 -5.997 1.00 1.45 C ATOM 0 H LEU A 31 4.114 6.887 -7.446 1.00 0.39 H new ATOM 0 HA LEU A 31 3.113 4.291 -6.836 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.359 6.291 -8.987 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.460 4.829 -8.635 1.00 0.39 H new ATOM 0 HG LEU A 31 1.862 7.174 -6.762 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.567 7.498 -7.070 1.00 1.17 H new ATOM 0 HD12 LEU A 31 0.321 7.646 -8.605 1.00 1.17 H new ATOM 0 HD13 LEU A 31 -0.589 6.160 -8.244 1.00 1.17 H new ATOM 0 HD21 LEU A 31 0.262 6.029 -5.281 1.00 1.45 H new ATOM 0 HD22 LEU A 31 0.268 4.623 -6.371 1.00 1.45 H new ATOM 0 HD23 LEU A 31 1.754 5.085 -5.506 1.00 1.45 H new ATOM 451 N ASP A 32 4.977 4.609 -9.440 1.00 0.44 N ATOM 452 CA ASP A 32 5.640 3.926 -10.557 1.00 0.57 C ATOM 453 C ASP A 32 6.804 3.064 -10.091 1.00 0.48 C ATOM 454 O ASP A 32 7.520 2.473 -10.910 1.00 0.54 O ATOM 455 CB ASP A 32 6.132 4.939 -11.598 1.00 0.84 C ATOM 456 CG ASP A 32 5.008 5.692 -12.252 1.00 1.69 C ATOM 457 OD1 ASP A 32 4.566 6.719 -11.714 1.00 2.24 O ATOM 458 OD2 ASP A 32 4.548 5.287 -13.338 1.00 2.45 O ATOM 0 H ASP A 32 5.352 5.536 -9.240 1.00 0.44 H new ATOM 0 HA ASP A 32 4.897 3.271 -11.012 1.00 0.57 H new ATOM 0 HB2 ASP A 32 6.808 5.647 -11.118 1.00 0.84 H new ATOM 0 HB3 ASP A 32 6.708 4.417 -12.363 1.00 0.84 H new ATOM 463 N LEU A 33 6.990 2.978 -8.793 1.00 0.43 N ATOM 464 CA LEU A 33 8.078 2.195 -8.218 1.00 0.40 C ATOM 465 C LEU A 33 7.735 0.715 -8.224 1.00 0.33 C ATOM 466 O LEU A 33 6.623 0.336 -8.527 1.00 0.36 O ATOM 467 CB LEU A 33 8.320 2.616 -6.771 1.00 0.44 C ATOM 468 CG LEU A 33 8.759 4.061 -6.526 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.036 4.281 -5.051 1.00 0.67 C ATOM 470 CD2 LEU A 33 9.980 4.421 -7.350 1.00 0.71 C ATOM 0 H LEU A 33 6.399 3.443 -8.104 1.00 0.43 H new ATOM 0 HA LEU A 33 8.969 2.372 -8.820 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.401 2.443 -6.211 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.079 1.957 -6.350 1.00 0.44 H new ATOM 0 HG LEU A 33 7.944 4.714 -6.839 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.348 5.313 -4.889 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.131 4.081 -4.477 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.829 3.607 -4.725 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.262 5.455 -7.150 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.806 3.761 -7.084 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.751 4.306 -8.409 1.00 0.71 H new ATOM 482 N ARG A 34 8.690 -0.101 -7.901 1.00 0.31 N ATOM 483 CA ARG A 34 8.448 -1.517 -7.711 1.00 0.32 C ATOM 484 C ARG A 34 8.809 -1.852 -6.299 1.00 0.36 C ATOM 485 O ARG A 34 9.811 -1.345 -5.787 1.00 0.48 O ATOM 486 CB ARG A 34 9.288 -2.379 -8.638 1.00 0.43 C ATOM 487 CG ARG A 34 8.986 -2.243 -10.108 1.00 0.59 C ATOM 488 CD ARG A 34 9.918 -3.126 -10.905 1.00 0.89 C ATOM 489 NE ARG A 34 11.326 -2.750 -10.693 1.00 1.94 N ATOM 490 CZ ARG A 34 12.340 -3.613 -10.500 1.00 2.65 C ATOM 491 NH1 ARG A 34 12.100 -4.916 -10.309 1.00 2.65 N ATOM 492 NH2 ARG A 34 13.580 -3.159 -10.425 1.00 3.76 N ATOM 0 H ARG A 34 9.659 0.184 -7.760 1.00 0.31 H new ATOM 0 HA ARG A 34 7.400 -1.720 -7.932 1.00 0.32 H new ATOM 0 HB2 ARG A 34 10.338 -2.136 -8.478 1.00 0.43 H new ATOM 0 HB3 ARG A 34 9.155 -3.423 -8.353 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.950 -2.522 -10.303 1.00 0.59 H new ATOM 0 HG3 ARG A 34 9.101 -1.204 -10.418 1.00 0.59 H new ATOM 0 HD2 ARG A 34 9.770 -4.167 -10.617 1.00 0.89 H new ATOM 0 HD3 ARG A 34 9.675 -3.051 -11.965 1.00 0.89 H new ATOM 0 HE ARG A 34 11.551 -1.755 -10.692 1.00 1.94 H new ATOM 0 HH11 ARG A 34 11.141 -5.263 -10.309 1.00 2.65 H new ATOM 0 HH12 ARG A 34 12.876 -5.562 -10.164 1.00 2.65 H new ATOM 0 HH21 ARG A 34 13.763 -2.160 -10.513 1.00 3.76 H new ATOM 0 HH22 ARG A 34 14.353 -3.808 -10.279 1.00 3.76 H new ATOM 506 N PHE A 35 8.039 -2.696 -5.673 1.00 0.35 N ATOM 507 CA PHE A 35 8.303 -3.077 -4.303 1.00 0.41 C ATOM 508 C PHE A 35 9.593 -3.862 -4.172 1.00 0.48 C ATOM 509 O PHE A 35 10.402 -3.573 -3.297 1.00 0.54 O ATOM 510 CB PHE A 35 7.129 -3.819 -3.682 1.00 0.41 C ATOM 511 CG PHE A 35 5.925 -2.953 -3.510 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.945 -1.875 -2.653 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.760 -3.232 -4.205 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.831 -1.087 -2.492 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.643 -2.447 -4.048 1.00 0.46 C ATOM 516 CZ PHE A 35 3.712 -1.327 -3.191 1.00 0.46 C ATOM 0 H PHE A 35 7.218 -3.138 -6.087 1.00 0.35 H new ATOM 0 HA PHE A 35 8.431 -2.153 -3.739 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.871 -4.672 -4.309 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.428 -4.216 -2.712 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.845 -1.647 -2.102 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.729 -4.076 -4.878 1.00 0.42 H new ATOM 0 HE1 PHE A 35 4.857 -0.264 -1.793 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.728 -2.683 -4.571 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.864 -0.664 -3.099 1.00 0.46 H new ATOM 526 N GLU A 36 9.805 -4.808 -5.066 1.00 0.56 N ATOM 527 CA GLU A 36 11.029 -5.605 -5.076 1.00 0.70 C ATOM 528 C GLU A 36 12.246 -4.694 -5.293 1.00 0.69 C ATOM 529 O GLU A 36 13.314 -4.899 -4.717 1.00 0.80 O ATOM 530 CB GLU A 36 10.951 -6.683 -6.170 1.00 0.88 C ATOM 531 CG GLU A 36 12.147 -7.624 -6.219 1.00 1.65 C ATOM 532 CD GLU A 36 12.357 -8.356 -4.917 1.00 2.01 C ATOM 533 OE1 GLU A 36 11.694 -9.374 -4.685 1.00 2.26 O ATOM 534 OE2 GLU A 36 13.188 -7.922 -4.098 1.00 2.71 O ATOM 0 H GLU A 36 9.143 -5.049 -5.803 1.00 0.56 H new ATOM 0 HA GLU A 36 11.139 -6.104 -4.113 1.00 0.70 H new ATOM 0 HB2 GLU A 36 10.047 -7.273 -6.017 1.00 0.88 H new ATOM 0 HB3 GLU A 36 10.851 -6.193 -7.138 1.00 0.88 H new ATOM 0 HG2 GLU A 36 12.003 -8.348 -7.021 1.00 1.65 H new ATOM 0 HG3 GLU A 36 13.044 -7.054 -6.461 1.00 1.65 H new ATOM 541 N ASP A 37 12.050 -3.660 -6.084 1.00 0.67 N ATOM 542 CA ASP A 37 13.105 -2.691 -6.368 1.00 0.76 C ATOM 543 C ASP A 37 13.475 -1.911 -5.112 1.00 0.72 C ATOM 544 O ASP A 37 14.649 -1.693 -4.832 1.00 0.87 O ATOM 545 CB ASP A 37 12.655 -1.725 -7.463 1.00 0.88 C ATOM 546 CG ASP A 37 13.677 -0.657 -7.795 1.00 1.13 C ATOM 547 OD1 ASP A 37 14.524 -0.878 -8.694 1.00 1.43 O ATOM 548 OD2 ASP A 37 13.612 0.447 -7.204 1.00 1.61 O ATOM 0 H ASP A 37 11.164 -3.462 -6.549 1.00 0.67 H new ATOM 0 HA ASP A 37 13.984 -3.237 -6.711 1.00 0.76 H new ATOM 0 HB2 ASP A 37 12.431 -2.293 -8.366 1.00 0.88 H new ATOM 0 HB3 ASP A 37 11.728 -1.243 -7.151 1.00 0.88 H new ATOM 553 N ILE A 38 12.471 -1.543 -4.330 1.00 0.59 N ATOM 554 CA ILE A 38 12.703 -0.731 -3.143 1.00 0.62 C ATOM 555 C ILE A 38 12.840 -1.553 -1.853 1.00 0.60 C ATOM 556 O ILE A 38 12.790 -1.005 -0.751 1.00 0.66 O ATOM 557 CB ILE A 38 11.654 0.405 -2.971 1.00 0.61 C ATOM 558 CG1 ILE A 38 10.228 -0.172 -2.877 1.00 0.52 C ATOM 559 CG2 ILE A 38 11.769 1.393 -4.125 1.00 0.70 C ATOM 560 CD1 ILE A 38 9.137 0.870 -2.691 1.00 0.57 C ATOM 0 H ILE A 38 11.495 -1.791 -4.493 1.00 0.59 H new ATOM 0 HA ILE A 38 13.670 -0.260 -3.319 1.00 0.62 H new ATOM 0 HB ILE A 38 11.857 0.932 -2.039 1.00 0.61 H new ATOM 0 HG12 ILE A 38 10.019 -0.740 -3.783 1.00 0.52 H new ATOM 0 HG13 ILE A 38 10.188 -0.874 -2.044 1.00 0.52 H new ATOM 0 HG21 ILE A 38 11.032 2.186 -4.000 1.00 0.70 H new ATOM 0 HG22 ILE A 38 12.770 1.825 -4.135 1.00 0.70 H new ATOM 0 HG23 ILE A 38 11.588 0.875 -5.067 1.00 0.70 H new ATOM 0 HD11 ILE A 38 8.167 0.375 -2.635 1.00 0.57 H new ATOM 0 HD12 ILE A 38 9.316 1.424 -1.769 1.00 0.57 H new ATOM 0 HD13 ILE A 38 9.144 1.559 -3.535 1.00 0.57 H new ATOM 572 N GLY A 39 13.074 -2.846 -2.000 1.00 0.57 N ATOM 573 CA GLY A 39 13.345 -3.703 -0.848 1.00 0.58 C ATOM 574 C GLY A 39 12.109 -4.077 -0.042 1.00 0.50 C ATOM 575 O GLY A 39 12.187 -4.275 1.177 1.00 0.57 O ATOM 0 H GLY A 39 13.083 -3.328 -2.899 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.828 -4.616 -1.195 1.00 0.58 H new ATOM 0 HA3 GLY A 39 14.053 -3.197 -0.192 1.00 0.58 H new ATOM 579 N TYR A 40 10.986 -4.165 -0.698 1.00 0.43 N ATOM 580 CA TYR A 40 9.751 -4.569 -0.057 1.00 0.41 C ATOM 581 C TYR A 40 9.406 -5.994 -0.407 1.00 0.45 C ATOM 582 O TYR A 40 9.660 -6.452 -1.525 1.00 0.67 O ATOM 583 CB TYR A 40 8.583 -3.672 -0.460 1.00 0.44 C ATOM 584 CG TYR A 40 8.409 -2.403 0.338 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.354 -1.394 0.321 1.00 0.66 C ATOM 586 CD2 TYR A 40 7.255 -2.209 1.089 1.00 0.61 C ATOM 587 CE1 TYR A 40 9.160 -0.226 1.029 1.00 0.88 C ATOM 588 CE2 TYR A 40 7.051 -1.051 1.803 1.00 0.86 C ATOM 589 CZ TYR A 40 8.009 -0.059 1.769 1.00 0.98 C ATOM 590 OH TYR A 40 7.812 1.109 2.459 1.00 1.26 O ATOM 0 H TYR A 40 10.893 -3.960 -1.693 1.00 0.43 H new ATOM 0 HA TYR A 40 9.913 -4.479 1.017 1.00 0.41 H new ATOM 0 HB2 TYR A 40 8.705 -3.403 -1.509 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.664 -4.253 -0.384 1.00 0.44 H new ATOM 0 HD1 TYR A 40 10.258 -1.522 -0.256 1.00 0.66 H new ATOM 0 HD2 TYR A 40 6.503 -2.984 1.112 1.00 0.61 H new ATOM 0 HE1 TYR A 40 9.907 0.554 1.004 1.00 0.88 H new ATOM 0 HE2 TYR A 40 6.150 -0.920 2.384 1.00 0.86 H new ATOM 0 HH TYR A 40 7.272 0.930 3.257 1.00 1.26 H new ATOM 600 N ASP A 41 8.865 -6.685 0.555 1.00 0.48 N ATOM 601 CA ASP A 41 8.366 -8.037 0.379 1.00 0.59 C ATOM 602 C ASP A 41 6.855 -7.984 0.421 1.00 0.45 C ATOM 603 O ASP A 41 6.277 -6.986 0.870 1.00 0.39 O ATOM 604 CB ASP A 41 8.900 -8.953 1.502 1.00 0.85 C ATOM 605 CG ASP A 41 8.464 -10.405 1.410 1.00 1.50 C ATOM 606 OD1 ASP A 41 9.123 -11.207 0.712 1.00 2.11 O ATOM 607 OD2 ASP A 41 7.451 -10.768 2.025 1.00 2.01 O ATOM 0 H ASP A 41 8.752 -6.327 1.503 1.00 0.48 H new ATOM 0 HA ASP A 41 8.703 -8.443 -0.575 1.00 0.59 H new ATOM 0 HB2 ASP A 41 9.989 -8.916 1.493 1.00 0.85 H new ATOM 0 HB3 ASP A 41 8.575 -8.552 2.462 1.00 0.85 H new ATOM 612 N SER A 42 6.230 -9.036 0.001 1.00 0.45 N ATOM 613 CA SER A 42 4.790 -9.132 -0.024 1.00 0.41 C ATOM 614 C SER A 42 4.207 -9.141 1.392 1.00 0.33 C ATOM 615 O SER A 42 3.104 -8.643 1.618 1.00 0.30 O ATOM 616 CB SER A 42 4.394 -10.380 -0.775 1.00 0.50 C ATOM 617 OG SER A 42 5.236 -11.483 -0.316 1.00 0.71 O ATOM 0 H SER A 42 6.705 -9.871 -0.342 1.00 0.45 H new ATOM 0 HA SER A 42 4.385 -8.257 -0.532 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.342 -10.609 -0.602 1.00 0.50 H new ATOM 0 HB3 SER A 42 4.516 -10.231 -1.848 1.00 0.50 H new ATOM 0 HG SER A 42 4.990 -12.303 -0.793 1.00 0.71 H new ATOM 622 N LEU A 43 4.962 -9.680 2.350 1.00 0.35 N ATOM 623 CA LEU A 43 4.501 -9.735 3.725 1.00 0.37 C ATOM 624 C LEU A 43 4.461 -8.325 4.303 1.00 0.33 C ATOM 625 O LEU A 43 3.592 -7.991 5.107 1.00 0.38 O ATOM 626 CB LEU A 43 5.404 -10.601 4.582 1.00 0.49 C ATOM 627 CG LEU A 43 4.786 -11.057 5.892 1.00 0.63 C ATOM 628 CD1 LEU A 43 3.739 -12.135 5.627 1.00 1.02 C ATOM 629 CD2 LEU A 43 5.848 -11.525 6.873 1.00 1.03 C ATOM 0 H LEU A 43 5.887 -10.080 2.195 1.00 0.35 H new ATOM 0 HA LEU A 43 3.504 -10.175 3.729 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.694 -11.480 4.007 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.317 -10.047 4.800 1.00 0.49 H new ATOM 0 HG LEU A 43 4.287 -10.207 6.357 1.00 0.63 H new ATOM 0 HD11 LEU A 43 3.301 -12.457 6.572 1.00 1.02 H new ATOM 0 HD12 LEU A 43 2.957 -11.732 4.983 1.00 1.02 H new ATOM 0 HD13 LEU A 43 4.210 -12.987 5.137 1.00 1.02 H new ATOM 0 HD21 LEU A 43 5.372 -11.844 7.800 1.00 1.03 H new ATOM 0 HD22 LEU A 43 6.399 -12.361 6.441 1.00 1.03 H new ATOM 0 HD23 LEU A 43 6.536 -10.706 7.082 1.00 1.03 H new ATOM 641 N ALA A 44 5.387 -7.499 3.846 1.00 0.33 N ATOM 642 CA ALA A 44 5.458 -6.109 4.255 1.00 0.37 C ATOM 643 C ALA A 44 4.217 -5.381 3.787 1.00 0.31 C ATOM 644 O ALA A 44 3.644 -4.571 4.506 1.00 0.35 O ATOM 645 CB ALA A 44 6.703 -5.453 3.681 1.00 0.46 C ATOM 0 H ALA A 44 6.110 -7.774 3.181 1.00 0.33 H new ATOM 0 HA ALA A 44 5.514 -6.058 5.342 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.743 -4.410 3.996 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.589 -5.975 4.042 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.671 -5.502 2.593 1.00 0.46 H new ATOM 651 N LEU A 45 3.776 -5.736 2.597 1.00 0.26 N ATOM 652 CA LEU A 45 2.601 -5.148 1.989 1.00 0.25 C ATOM 653 C LEU A 45 1.336 -5.534 2.747 1.00 0.28 C ATOM 654 O LEU A 45 0.364 -4.788 2.753 1.00 0.29 O ATOM 655 CB LEU A 45 2.499 -5.574 0.531 1.00 0.28 C ATOM 656 CG LEU A 45 3.682 -5.175 -0.340 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.496 -5.666 -1.760 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.863 -3.671 -0.312 1.00 0.40 C ATOM 0 H LEU A 45 4.227 -6.446 2.021 1.00 0.26 H new ATOM 0 HA LEU A 45 2.699 -4.063 2.036 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.387 -6.658 0.492 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.592 -5.144 0.105 1.00 0.28 H new ATOM 0 HG LEU A 45 4.581 -5.643 0.060 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.354 -5.369 -2.363 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.411 -6.753 -1.761 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.589 -5.231 -2.180 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.712 -3.395 -0.938 1.00 0.40 H new ATOM 0 HD22 LEU A 45 2.961 -3.189 -0.690 1.00 0.40 H new ATOM 0 HD23 LEU A 45 4.046 -3.346 0.712 1.00 0.40 H new ATOM 670 N MET A 46 1.366 -6.697 3.399 1.00 0.34 N ATOM 671 CA MET A 46 0.233 -7.178 4.211 1.00 0.44 C ATOM 672 C MET A 46 0.030 -6.226 5.365 1.00 0.40 C ATOM 673 O MET A 46 -1.097 -5.830 5.685 1.00 0.45 O ATOM 674 CB MET A 46 0.525 -8.565 4.808 1.00 0.71 C ATOM 675 CG MET A 46 0.911 -9.631 3.816 1.00 0.38 C ATOM 676 SD MET A 46 -0.388 -10.030 2.658 1.00 1.64 S ATOM 677 CE MET A 46 0.470 -11.229 1.655 1.00 2.26 C ATOM 0 H MET A 46 2.165 -7.331 3.384 1.00 0.34 H new ATOM 0 HA MET A 46 -0.646 -7.237 3.569 1.00 0.44 H new ATOM 0 HB2 MET A 46 1.328 -8.465 5.538 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.359 -8.901 5.350 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.791 -9.301 3.263 1.00 0.38 H new ATOM 0 HG3 MET A 46 1.195 -10.534 4.357 1.00 0.38 H new ATOM 0 HE1 MET A 46 0.168 -11.115 0.614 1.00 2.26 H new ATOM 0 HE2 MET A 46 1.545 -11.072 1.741 1.00 2.26 H new ATOM 0 HE3 MET A 46 0.222 -12.234 1.997 1.00 2.26 H new ATOM 687 N GLU A 47 1.152 -5.855 5.955 1.00 0.40 N ATOM 688 CA GLU A 47 1.227 -4.974 7.099 1.00 0.46 C ATOM 689 C GLU A 47 0.743 -3.577 6.671 1.00 0.43 C ATOM 690 O GLU A 47 -0.101 -2.959 7.344 1.00 0.53 O ATOM 691 CB GLU A 47 2.699 -4.971 7.558 1.00 0.54 C ATOM 692 CG GLU A 47 2.982 -4.544 8.990 1.00 1.22 C ATOM 693 CD GLU A 47 2.731 -3.088 9.272 1.00 1.77 C ATOM 694 OE1 GLU A 47 3.399 -2.239 8.671 1.00 2.22 O ATOM 695 OE2 GLU A 47 1.823 -2.766 10.074 1.00 2.46 O ATOM 0 H GLU A 47 2.068 -6.172 5.636 1.00 0.40 H new ATOM 0 HA GLU A 47 0.596 -5.296 7.927 1.00 0.46 H new ATOM 0 HB2 GLU A 47 3.097 -5.976 7.421 1.00 0.54 H new ATOM 0 HB3 GLU A 47 3.258 -4.313 6.893 1.00 0.54 H new ATOM 0 HG2 GLU A 47 2.366 -5.142 9.662 1.00 1.22 H new ATOM 0 HG3 GLU A 47 4.022 -4.772 9.224 1.00 1.22 H new ATOM 702 N THR A 48 1.256 -3.115 5.532 1.00 0.33 N ATOM 703 CA THR A 48 0.854 -1.855 4.926 1.00 0.33 C ATOM 704 C THR A 48 -0.677 -1.835 4.697 1.00 0.31 C ATOM 705 O THR A 48 -1.373 -0.914 5.158 1.00 0.36 O ATOM 706 CB THR A 48 1.581 -1.695 3.572 1.00 0.32 C ATOM 707 OG1 THR A 48 2.994 -1.779 3.781 1.00 0.37 O ATOM 708 CG2 THR A 48 1.245 -0.364 2.916 1.00 0.38 C ATOM 0 H THR A 48 1.970 -3.613 5.001 1.00 0.33 H new ATOM 0 HA THR A 48 1.119 -1.034 5.592 1.00 0.33 H new ATOM 0 HB THR A 48 1.249 -2.494 2.909 1.00 0.32 H new ATOM 0 HG1 THR A 48 3.210 -1.468 4.685 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.773 -0.283 1.966 1.00 0.38 H new ATOM 0 HG22 THR A 48 0.171 -0.306 2.741 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.551 0.452 3.571 1.00 0.38 H new ATOM 716 N ALA A 49 -1.180 -2.851 3.990 1.00 0.29 N ATOM 717 CA ALA A 49 -2.600 -2.974 3.675 1.00 0.31 C ATOM 718 C ALA A 49 -3.453 -2.954 4.935 1.00 0.29 C ATOM 719 O ALA A 49 -4.402 -2.186 5.011 1.00 0.27 O ATOM 720 CB ALA A 49 -2.869 -4.241 2.874 1.00 0.35 C ATOM 0 H ALA A 49 -0.610 -3.612 3.621 1.00 0.29 H new ATOM 0 HA ALA A 49 -2.876 -2.112 3.067 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -3.934 -4.311 2.651 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.304 -4.209 1.942 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.562 -5.111 3.455 1.00 0.35 H new ATOM 726 N ALA A 50 -3.058 -3.752 5.936 1.00 0.33 N ATOM 727 CA ALA A 50 -3.782 -3.880 7.217 1.00 0.37 C ATOM 728 C ALA A 50 -4.044 -2.525 7.852 1.00 0.33 C ATOM 729 O ALA A 50 -5.154 -2.244 8.316 1.00 0.34 O ATOM 730 CB ALA A 50 -2.980 -4.737 8.182 1.00 0.47 C ATOM 0 H ALA A 50 -2.221 -4.333 5.884 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.742 -4.351 7.006 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.520 -4.827 9.124 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -2.833 -5.728 7.752 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -2.011 -4.272 8.362 1.00 0.47 H new ATOM 736 N ARG A 51 -3.020 -1.686 7.821 1.00 0.34 N ATOM 737 CA ARG A 51 -3.058 -0.349 8.394 1.00 0.36 C ATOM 738 C ARG A 51 -4.137 0.495 7.707 1.00 0.33 C ATOM 739 O ARG A 51 -4.873 1.242 8.348 1.00 0.42 O ATOM 740 CB ARG A 51 -1.684 0.306 8.204 1.00 0.44 C ATOM 741 CG ARG A 51 -1.558 1.707 8.760 1.00 0.54 C ATOM 742 CD ARG A 51 -0.239 2.328 8.339 1.00 0.88 C ATOM 743 NE ARG A 51 -0.109 3.739 8.760 1.00 1.06 N ATOM 744 CZ ARG A 51 -0.775 4.779 8.219 1.00 1.91 C ATOM 745 NH1 ARG A 51 -1.713 4.568 7.294 1.00 2.92 N ATOM 746 NH2 ARG A 51 -0.490 6.019 8.592 1.00 2.00 N ATOM 0 H ARG A 51 -2.125 -1.918 7.390 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.297 -0.414 9.455 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.930 -0.324 8.676 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.456 0.333 7.138 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -2.386 2.321 8.406 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.624 1.680 9.848 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.581 1.750 8.764 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.144 2.267 7.255 1.00 0.88 H new ATOM 0 HE ARG A 51 0.538 3.943 9.522 1.00 1.06 H new ATOM 0 HH11 ARG A 51 -1.928 3.617 6.994 1.00 2.92 H new ATOM 0 HH12 ARG A 51 -2.215 5.357 6.887 1.00 2.92 H new ATOM 0 HH21 ARG A 51 0.235 6.188 9.290 1.00 2.00 H new ATOM 0 HH22 ARG A 51 -0.995 6.804 8.181 1.00 2.00 H new ATOM 760 N LEU A 52 -4.247 0.343 6.409 1.00 0.28 N ATOM 761 CA LEU A 52 -5.186 1.117 5.643 1.00 0.30 C ATOM 762 C LEU A 52 -6.598 0.556 5.741 1.00 0.30 C ATOM 763 O LEU A 52 -7.542 1.314 5.986 1.00 0.37 O ATOM 764 CB LEU A 52 -4.720 1.258 4.196 1.00 0.31 C ATOM 765 CG LEU A 52 -3.387 1.999 4.023 1.00 0.35 C ATOM 766 CD1 LEU A 52 -2.986 2.055 2.569 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.480 3.406 4.599 1.00 0.40 C ATOM 0 H LEU A 52 -3.693 -0.315 5.861 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.224 2.118 6.074 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.627 0.264 3.760 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.489 1.784 3.630 1.00 0.31 H new ATOM 0 HG LEU A 52 -2.621 1.447 4.568 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -2.038 2.585 2.473 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -2.876 1.042 2.183 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -3.754 2.579 2.000 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -2.526 3.917 4.468 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.263 3.960 4.081 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -3.718 3.349 5.661 1.00 0.40 H new ATOM 779 N GLU A 53 -6.741 -0.771 5.582 1.00 0.27 N ATOM 780 CA GLU A 53 -8.032 -1.448 5.682 1.00 0.30 C ATOM 781 C GLU A 53 -8.741 -1.082 6.966 1.00 0.33 C ATOM 782 O GLU A 53 -9.919 -0.773 6.952 1.00 0.35 O ATOM 783 CB GLU A 53 -7.871 -2.946 5.720 1.00 0.33 C ATOM 784 CG GLU A 53 -7.095 -3.576 4.612 1.00 0.37 C ATOM 785 CD GLU A 53 -7.015 -5.063 4.831 1.00 0.58 C ATOM 786 OE1 GLU A 53 -6.541 -5.509 5.884 1.00 0.91 O ATOM 787 OE2 GLU A 53 -7.380 -5.822 3.907 1.00 0.71 O ATOM 0 H GLU A 53 -5.962 -1.398 5.381 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.599 -1.134 4.805 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -7.391 -3.210 6.662 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.865 -3.393 5.733 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.572 -3.365 3.655 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -6.092 -3.150 4.569 1.00 0.37 H new ATOM 794 N SER A 54 -7.992 -1.091 8.054 1.00 0.37 N ATOM 795 CA SER A 54 -8.513 -0.877 9.390 1.00 0.44 C ATOM 796 C SER A 54 -9.229 0.491 9.541 1.00 0.43 C ATOM 797 O SER A 54 -10.133 0.636 10.359 1.00 0.52 O ATOM 798 CB SER A 54 -7.367 -1.028 10.404 1.00 0.54 C ATOM 799 OG SER A 54 -7.844 -1.109 11.734 1.00 1.44 O ATOM 0 H SER A 54 -6.985 -1.251 8.032 1.00 0.37 H new ATOM 0 HA SER A 54 -9.276 -1.631 9.585 1.00 0.44 H new ATOM 0 HB2 SER A 54 -6.791 -1.924 10.170 1.00 0.54 H new ATOM 0 HB3 SER A 54 -6.688 -0.180 10.313 1.00 0.54 H new ATOM 0 HG SER A 54 -7.086 -1.206 12.348 1.00 1.44 H new ATOM 805 N ARG A 55 -8.850 1.481 8.742 1.00 0.44 N ATOM 806 CA ARG A 55 -9.463 2.760 8.825 1.00 0.50 C ATOM 807 C ARG A 55 -10.669 2.872 7.904 1.00 0.50 C ATOM 808 O ARG A 55 -11.569 3.670 8.141 1.00 0.62 O ATOM 809 CB ARG A 55 -8.470 3.827 8.467 1.00 0.59 C ATOM 810 CG ARG A 55 -7.328 4.004 9.443 1.00 0.97 C ATOM 811 CD ARG A 55 -6.532 5.244 9.095 1.00 1.13 C ATOM 812 NE ARG A 55 -7.338 6.470 9.262 1.00 1.24 N ATOM 813 CZ ARG A 55 -7.462 7.450 8.360 1.00 1.64 C ATOM 814 NH1 ARG A 55 -6.811 7.377 7.199 1.00 1.93 N ATOM 815 NH2 ARG A 55 -8.226 8.513 8.635 1.00 2.25 N ATOM 0 H ARG A 55 -8.119 1.402 8.035 1.00 0.44 H new ATOM 0 HA ARG A 55 -9.805 2.892 9.852 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -8.055 3.599 7.485 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -8.999 4.776 8.376 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -7.717 4.085 10.458 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -6.680 3.128 9.419 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -5.648 5.300 9.730 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -6.182 5.175 8.065 1.00 1.13 H new ATOM 0 HE ARG A 55 -7.844 6.579 10.141 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -6.217 6.573 6.997 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -6.907 8.125 6.513 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -8.712 8.574 9.530 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -8.323 9.262 7.950 1.00 2.25 H new ATOM 829 N TYR A 56 -10.688 2.081 6.861 1.00 0.42 N ATOM 830 CA TYR A 56 -11.753 2.181 5.866 1.00 0.44 C ATOM 831 C TYR A 56 -12.778 1.061 5.999 1.00 0.43 C ATOM 832 O TYR A 56 -13.830 1.083 5.357 1.00 0.52 O ATOM 833 CB TYR A 56 -11.163 2.231 4.460 1.00 0.44 C ATOM 834 CG TYR A 56 -10.334 3.472 4.203 1.00 0.49 C ATOM 835 CD1 TYR A 56 -10.941 4.665 3.851 1.00 0.62 C ATOM 836 CD2 TYR A 56 -8.954 3.452 4.318 1.00 0.48 C ATOM 837 CE1 TYR A 56 -10.199 5.798 3.621 1.00 0.71 C ATOM 838 CE2 TYR A 56 -8.207 4.583 4.091 1.00 0.55 C ATOM 839 CZ TYR A 56 -8.839 5.754 3.741 1.00 0.69 C ATOM 840 OH TYR A 56 -8.098 6.888 3.510 1.00 0.77 O ATOM 0 H TYR A 56 -9.989 1.363 6.670 1.00 0.42 H new ATOM 0 HA TYR A 56 -12.289 3.112 6.051 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -10.543 1.349 4.302 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.973 2.186 3.732 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -12.016 4.706 3.756 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -8.457 2.533 4.590 1.00 0.48 H new ATOM 0 HE1 TYR A 56 -10.689 6.720 3.346 1.00 0.71 H new ATOM 0 HE2 TYR A 56 -7.132 4.553 4.187 1.00 0.55 H new ATOM 0 HH TYR A 56 -7.287 6.866 4.059 1.00 0.77 H new ATOM 850 N GLY A 57 -12.452 0.082 6.812 1.00 0.38 N ATOM 851 CA GLY A 57 -13.344 -1.019 7.078 1.00 0.41 C ATOM 852 C GLY A 57 -13.438 -1.991 5.928 1.00 0.39 C ATOM 853 O GLY A 57 -14.464 -2.657 5.753 1.00 0.51 O ATOM 0 H GLY A 57 -11.561 0.028 7.306 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -13.004 -1.549 7.968 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -14.338 -0.629 7.300 1.00 0.41 H new ATOM 857 N VAL A 58 -12.385 -2.093 5.151 1.00 0.34 N ATOM 858 CA VAL A 58 -12.399 -2.975 4.000 1.00 0.36 C ATOM 859 C VAL A 58 -11.696 -4.291 4.321 1.00 0.39 C ATOM 860 O VAL A 58 -11.083 -4.425 5.382 1.00 0.42 O ATOM 861 CB VAL A 58 -11.781 -2.329 2.715 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.497 -1.041 2.359 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.295 -2.060 2.881 1.00 0.34 C ATOM 0 H VAL A 58 -11.513 -1.582 5.290 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.449 -3.167 3.778 1.00 0.36 H new ATOM 0 HB VAL A 58 -11.911 -3.045 1.904 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -12.049 -0.611 1.463 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.551 -1.250 2.174 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.407 -0.334 3.184 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -9.902 -1.612 1.968 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -10.140 -1.377 3.717 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.775 -2.998 3.077 1.00 0.34 H new ATOM 873 N SER A 59 -11.776 -5.233 3.415 1.00 0.43 N ATOM 874 CA SER A 59 -11.132 -6.513 3.573 1.00 0.49 C ATOM 875 C SER A 59 -10.532 -6.920 2.234 1.00 0.45 C ATOM 876 O SER A 59 -11.267 -7.124 1.259 1.00 0.56 O ATOM 877 CB SER A 59 -12.158 -7.556 4.038 1.00 0.67 C ATOM 878 OG SER A 59 -12.792 -7.159 5.260 1.00 1.48 O ATOM 0 H SER A 59 -12.293 -5.133 2.541 1.00 0.43 H new ATOM 0 HA SER A 59 -10.344 -6.449 4.323 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.913 -7.696 3.264 1.00 0.67 H new ATOM 0 HB3 SER A 59 -11.663 -8.517 4.179 1.00 0.67 H new ATOM 0 HG SER A 59 -13.441 -7.843 5.529 1.00 1.48 H new ATOM 884 N ILE A 60 -9.226 -6.960 2.161 1.00 0.39 N ATOM 885 CA ILE A 60 -8.544 -7.307 0.938 1.00 0.43 C ATOM 886 C ILE A 60 -7.748 -8.609 1.100 1.00 0.35 C ATOM 887 O ILE A 60 -6.969 -8.756 2.055 1.00 0.42 O ATOM 888 CB ILE A 60 -7.608 -6.153 0.477 1.00 0.58 C ATOM 889 CG1 ILE A 60 -8.443 -4.884 0.206 1.00 0.75 C ATOM 890 CG2 ILE A 60 -6.808 -6.556 -0.760 1.00 0.71 C ATOM 891 CD1 ILE A 60 -7.633 -3.676 -0.201 1.00 1.01 C ATOM 0 H ILE A 60 -8.606 -6.754 2.944 1.00 0.39 H new ATOM 0 HA ILE A 60 -9.301 -7.464 0.170 1.00 0.43 H new ATOM 0 HB ILE A 60 -6.894 -5.941 1.273 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -9.167 -5.102 -0.579 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -9.011 -4.639 1.104 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -6.162 -5.731 -1.060 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -6.198 -7.429 -0.530 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -7.492 -6.796 -1.574 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -8.300 -2.831 -0.371 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -6.927 -3.427 0.592 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -7.086 -3.897 -1.118 1.00 1.01 H new ATOM 903 N PRO A 61 -7.973 -9.585 0.193 1.00 0.43 N ATOM 904 CA PRO A 61 -7.253 -10.869 0.173 1.00 0.50 C ATOM 905 C PRO A 61 -5.738 -10.701 0.160 1.00 0.46 C ATOM 906 O PRO A 61 -5.189 -9.879 -0.600 1.00 0.40 O ATOM 907 CB PRO A 61 -7.675 -11.473 -1.162 1.00 0.63 C ATOM 908 CG PRO A 61 -9.026 -10.934 -1.392 1.00 0.74 C ATOM 909 CD PRO A 61 -8.995 -9.528 -0.877 1.00 0.63 C ATOM 0 HA PRO A 61 -7.484 -11.464 1.056 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -6.991 -11.188 -1.962 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -7.682 -12.562 -1.122 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -9.282 -10.957 -2.451 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -9.778 -11.526 -0.870 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -8.722 -8.819 -1.658 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -9.966 -9.219 -0.491 1.00 0.63 H new ATOM 917 N ASP A 62 -5.064 -11.506 0.961 1.00 0.61 N ATOM 918 CA ASP A 62 -3.598 -11.509 1.024 1.00 0.72 C ATOM 919 C ASP A 62 -2.990 -11.957 -0.301 1.00 0.66 C ATOM 920 O ASP A 62 -1.859 -11.590 -0.635 1.00 0.67 O ATOM 921 CB ASP A 62 -3.035 -12.306 2.234 1.00 1.04 C ATOM 922 CG ASP A 62 -3.468 -13.757 2.342 1.00 1.22 C ATOM 923 OD1 ASP A 62 -2.910 -14.618 1.648 1.00 1.73 O ATOM 924 OD2 ASP A 62 -4.357 -14.062 3.188 1.00 1.74 O ATOM 0 H ASP A 62 -5.508 -12.177 1.588 1.00 0.61 H new ATOM 0 HA ASP A 62 -3.292 -10.477 1.195 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -1.946 -12.276 2.187 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -3.329 -11.792 3.149 1.00 1.04 H new ATOM 929 N ASP A 63 -3.789 -12.698 -1.080 1.00 0.68 N ATOM 930 CA ASP A 63 -3.438 -13.102 -2.454 1.00 0.73 C ATOM 931 C ASP A 63 -3.134 -11.878 -3.266 1.00 0.63 C ATOM 932 O ASP A 63 -2.158 -11.819 -4.010 1.00 0.78 O ATOM 933 CB ASP A 63 -4.631 -13.750 -3.163 1.00 0.92 C ATOM 934 CG ASP A 63 -5.114 -15.025 -2.577 1.00 1.41 C ATOM 935 OD1 ASP A 63 -5.957 -14.976 -1.669 1.00 2.17 O ATOM 936 OD2 ASP A 63 -4.604 -16.096 -2.959 1.00 1.81 O ATOM 0 H ASP A 63 -4.702 -13.037 -0.776 1.00 0.68 H new ATOM 0 HA ASP A 63 -2.597 -13.791 -2.379 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -5.457 -13.038 -3.169 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -4.358 -13.930 -4.203 1.00 0.92 H new ATOM 941 N VAL A 64 -3.996 -10.899 -3.098 1.00 0.48 N ATOM 942 CA VAL A 64 -3.970 -9.694 -3.865 1.00 0.44 C ATOM 943 C VAL A 64 -2.981 -8.696 -3.260 1.00 0.38 C ATOM 944 O VAL A 64 -2.284 -7.979 -3.991 1.00 0.41 O ATOM 945 CB VAL A 64 -5.385 -9.072 -3.943 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.387 -7.864 -4.838 1.00 0.57 C ATOM 947 CG2 VAL A 64 -6.395 -10.098 -4.442 1.00 0.58 C ATOM 0 H VAL A 64 -4.746 -10.929 -2.408 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.642 -9.936 -4.876 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.673 -8.759 -2.939 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.391 -7.443 -4.878 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.696 -7.118 -4.444 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -5.075 -8.154 -5.841 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -7.384 -9.642 -4.490 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -6.105 -10.441 -5.435 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -6.420 -10.947 -3.758 1.00 0.58 H new ATOM 957 N ALA A 65 -2.916 -8.667 -1.932 1.00 0.36 N ATOM 958 CA ALA A 65 -1.989 -7.792 -1.211 1.00 0.36 C ATOM 959 C ALA A 65 -0.563 -8.064 -1.651 1.00 0.38 C ATOM 960 O ALA A 65 0.193 -7.149 -1.946 1.00 0.46 O ATOM 961 CB ALA A 65 -2.109 -7.997 0.285 1.00 0.42 C ATOM 0 H ALA A 65 -3.499 -9.244 -1.326 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.247 -6.759 -1.443 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -1.411 -7.337 0.800 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.126 -7.769 0.603 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -1.876 -9.033 0.530 1.00 0.42 H new ATOM 967 N GLY A 66 -0.224 -9.333 -1.755 1.00 0.39 N ATOM 968 CA GLY A 66 1.091 -9.693 -2.195 1.00 0.46 C ATOM 969 C GLY A 66 1.123 -9.995 -3.666 1.00 0.48 C ATOM 970 O GLY A 66 1.825 -10.891 -4.106 1.00 0.77 O ATOM 0 H GLY A 66 -0.839 -10.118 -1.541 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.783 -8.880 -1.976 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.435 -10.564 -1.637 1.00 0.46 H new ATOM 974 N ARG A 67 0.333 -9.275 -4.427 1.00 0.36 N ATOM 975 CA ARG A 67 0.307 -9.443 -5.854 1.00 0.41 C ATOM 976 C ARG A 67 0.724 -8.133 -6.532 1.00 0.37 C ATOM 977 O ARG A 67 1.155 -8.114 -7.690 1.00 0.47 O ATOM 978 CB ARG A 67 -1.104 -9.827 -6.275 1.00 0.55 C ATOM 979 CG ARG A 67 -1.254 -10.242 -7.710 1.00 1.14 C ATOM 980 CD ARG A 67 -2.714 -10.453 -8.051 1.00 1.95 C ATOM 981 NE ARG A 67 -3.482 -9.204 -7.926 1.00 2.92 N ATOM 982 CZ ARG A 67 -4.806 -9.077 -8.146 1.00 4.03 C ATOM 983 NH1 ARG A 67 -5.577 -10.150 -8.282 1.00 4.35 N ATOM 984 NH2 ARG A 67 -5.358 -7.870 -8.154 1.00 5.04 N ATOM 0 H ARG A 67 -0.305 -8.562 -4.074 1.00 0.36 H new ATOM 0 HA ARG A 67 1.002 -10.228 -6.153 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -1.445 -10.644 -5.640 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.765 -8.980 -6.088 1.00 0.55 H new ATOM 0 HG2 ARG A 67 -0.829 -9.479 -8.362 1.00 1.14 H new ATOM 0 HG3 ARG A 67 -0.696 -11.161 -7.889 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -2.800 -10.834 -9.069 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -3.138 -11.210 -7.391 1.00 1.95 H new ATOM 0 HE ARG A 67 -2.971 -8.366 -7.650 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -5.169 -11.083 -8.220 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -6.577 -10.041 -8.448 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -4.781 -7.044 -7.994 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -6.359 -7.768 -8.320 1.00 5.04 H new ATOM 998 N VAL A 68 0.615 -7.046 -5.798 1.00 0.37 N ATOM 999 CA VAL A 68 0.903 -5.719 -6.324 1.00 0.38 C ATOM 1000 C VAL A 68 2.419 -5.498 -6.476 1.00 0.42 C ATOM 1001 O VAL A 68 3.193 -5.750 -5.553 1.00 0.75 O ATOM 1002 CB VAL A 68 0.245 -4.604 -5.439 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.267 -4.765 -5.433 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.765 -4.622 -4.007 1.00 0.43 C ATOM 0 H VAL A 68 0.325 -7.052 -4.820 1.00 0.37 H new ATOM 0 HA VAL A 68 0.461 -5.651 -7.318 1.00 0.38 H new ATOM 0 HB VAL A 68 0.516 -3.644 -5.879 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.713 -3.986 -4.815 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.646 -4.682 -6.452 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.527 -5.743 -5.027 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.280 -3.832 -3.434 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.545 -5.588 -3.552 1.00 0.43 H new ATOM 0 HG23 VAL A 68 1.843 -4.459 -4.009 1.00 0.43 H new ATOM 1014 N ASP A 69 2.834 -5.105 -7.662 1.00 0.35 N ATOM 1015 CA ASP A 69 4.254 -4.883 -7.952 1.00 0.42 C ATOM 1016 C ASP A 69 4.595 -3.432 -7.774 1.00 0.33 C ATOM 1017 O ASP A 69 5.660 -3.079 -7.255 1.00 0.34 O ATOM 1018 CB ASP A 69 4.594 -5.333 -9.377 1.00 0.62 C ATOM 1019 CG ASP A 69 6.045 -5.096 -9.755 1.00 1.22 C ATOM 1020 OD1 ASP A 69 6.941 -5.630 -9.081 1.00 1.32 O ATOM 1021 OD2 ASP A 69 6.310 -4.291 -10.677 1.00 2.03 O ATOM 0 H ASP A 69 2.212 -4.929 -8.451 1.00 0.35 H new ATOM 0 HA ASP A 69 4.845 -5.476 -7.254 1.00 0.42 H new ATOM 0 HB2 ASP A 69 4.369 -6.395 -9.478 1.00 0.62 H new ATOM 0 HB3 ASP A 69 3.952 -4.803 -10.080 1.00 0.62 H new ATOM 1026 N THR A 70 3.688 -2.596 -8.177 1.00 0.30 N ATOM 1027 CA THR A 70 3.869 -1.188 -8.068 1.00 0.28 C ATOM 1028 C THR A 70 2.929 -0.628 -6.993 1.00 0.26 C ATOM 1029 O THR A 70 1.830 -1.172 -6.773 1.00 0.27 O ATOM 1030 CB THR A 70 3.593 -0.504 -9.434 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.274 -0.840 -9.895 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.610 -0.960 -10.469 1.00 0.35 C ATOM 0 H THR A 70 2.799 -2.876 -8.592 1.00 0.30 H new ATOM 0 HA THR A 70 4.900 -0.982 -7.781 1.00 0.28 H new ATOM 0 HB THR A 70 3.672 0.575 -9.300 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.107 -0.403 -10.756 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.404 -0.472 -11.422 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.613 -0.694 -10.135 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.543 -2.041 -10.593 1.00 0.35 H new ATOM 1040 N PRO A 71 3.345 0.435 -6.261 1.00 0.26 N ATOM 1041 CA PRO A 71 2.492 1.098 -5.276 1.00 0.26 C ATOM 1042 C PRO A 71 1.228 1.639 -5.918 1.00 0.24 C ATOM 1043 O PRO A 71 0.212 1.808 -5.246 1.00 0.25 O ATOM 1044 CB PRO A 71 3.367 2.231 -4.743 1.00 0.30 C ATOM 1045 CG PRO A 71 4.749 1.748 -4.976 1.00 0.32 C ATOM 1046 CD PRO A 71 4.687 1.027 -6.284 1.00 0.29 C ATOM 0 HA PRO A 71 2.153 0.422 -4.491 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.176 3.166 -5.269 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.181 2.417 -3.685 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.456 2.577 -5.014 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.077 1.086 -4.175 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.816 1.706 -7.127 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.464 0.267 -6.365 1.00 0.29 H new ATOM 1054 N ARG A 72 1.301 1.901 -7.229 1.00 0.24 N ATOM 1055 CA ARG A 72 0.122 2.307 -7.999 1.00 0.27 C ATOM 1056 C ARG A 72 -0.976 1.246 -7.848 1.00 0.23 C ATOM 1057 O ARG A 72 -2.118 1.568 -7.558 1.00 0.27 O ATOM 1058 CB ARG A 72 0.441 2.471 -9.489 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.722 3.065 -10.281 1.00 0.53 C ATOM 1060 CD ARG A 72 -0.539 2.919 -11.781 1.00 0.72 C ATOM 1061 NE ARG A 72 0.676 3.566 -12.299 1.00 0.79 N ATOM 1062 CZ ARG A 72 1.119 3.424 -13.558 1.00 1.57 C ATOM 1063 NH1 ARG A 72 0.368 2.818 -14.474 1.00 2.55 N ATOM 1064 NH2 ARG A 72 2.279 3.940 -13.928 1.00 1.67 N ATOM 0 H ARG A 72 2.160 1.839 -7.775 1.00 0.24 H new ATOM 0 HA ARG A 72 -0.210 3.270 -7.610 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.315 3.112 -9.600 1.00 0.36 H new ATOM 0 HB3 ARG A 72 0.702 1.500 -9.909 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.649 2.575 -9.982 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -0.825 4.121 -10.032 1.00 0.53 H new ATOM 0 HD2 ARG A 72 -0.509 1.859 -12.032 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -1.407 3.342 -12.286 1.00 0.72 H new ATOM 0 HE ARG A 72 1.213 4.157 -11.665 1.00 0.79 H new ATOM 0 HH11 ARG A 72 -0.552 2.457 -14.222 1.00 2.55 H new ATOM 0 HH12 ARG A 72 0.712 2.714 -15.429 1.00 2.55 H new ATOM 0 HH21 ARG A 72 2.848 4.452 -13.254 1.00 1.67 H new ATOM 0 HH22 ARG A 72 2.605 3.826 -14.888 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.596 -0.028 -8.011 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.531 -1.147 -7.884 1.00 0.24 C ATOM 1080 C GLU A 73 -2.074 -1.238 -6.477 1.00 0.21 C ATOM 1081 O GLU A 73 -3.237 -1.539 -6.287 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.868 -2.474 -8.231 1.00 0.32 C ATOM 1083 CG GLU A 73 -0.408 -2.610 -9.655 1.00 0.44 C ATOM 1084 CD GLU A 73 0.225 -3.951 -9.901 1.00 1.27 C ATOM 1085 OE1 GLU A 73 -0.489 -4.908 -10.239 1.00 1.49 O ATOM 1086 OE2 GLU A 73 1.455 -4.077 -9.772 1.00 2.08 O ATOM 0 H GLU A 73 0.360 -0.308 -8.232 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.344 -0.957 -8.585 1.00 0.24 H new ATOM 0 HB2 GLU A 73 -0.009 -2.615 -7.574 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.570 -3.279 -8.015 1.00 0.32 H new ATOM 0 HG2 GLU A 73 -1.256 -2.477 -10.327 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.308 -1.821 -9.885 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.217 -0.972 -5.498 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.604 -1.029 -4.087 1.00 0.21 C ATOM 1095 C LEU A 74 -2.698 0.033 -3.840 1.00 0.19 C ATOM 1096 O LEU A 74 -3.728 -0.248 -3.213 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.352 -0.776 -3.192 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.355 -1.323 -1.730 1.00 0.33 C ATOM 1099 CD1 LEU A 74 0.953 -0.993 -1.040 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.515 -0.794 -0.904 1.00 0.88 C ATOM 0 H LEU A 74 -0.243 -0.713 -5.654 1.00 0.19 H new ATOM 0 HA LEU A 74 -2.001 -2.012 -3.833 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.511 -1.202 -3.703 1.00 0.25 H new ATOM 0 HB3 LEU A 74 -0.193 0.301 -3.142 1.00 0.25 H new ATOM 0 HG LEU A 74 -0.475 -2.404 -1.804 1.00 0.33 H new ATOM 0 HD11 LEU A 74 0.935 -1.381 -0.022 1.00 1.07 H new ATOM 0 HD12 LEU A 74 1.778 -1.448 -1.587 1.00 1.07 H new ATOM 0 HD13 LEU A 74 1.088 0.088 -1.014 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.464 -1.209 0.103 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -1.458 0.293 -0.852 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -2.456 -1.086 -1.370 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.474 1.230 -4.373 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.431 2.323 -4.261 1.00 0.21 C ATOM 1114 C LEU A 75 -4.717 1.944 -4.979 1.00 0.20 C ATOM 1115 O LEU A 75 -5.799 1.965 -4.385 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.855 3.602 -4.885 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.675 4.879 -4.698 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.840 5.206 -3.225 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -3.028 6.039 -5.434 1.00 0.37 C ATOM 0 H LEU A 75 -1.629 1.468 -4.892 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.637 2.507 -3.206 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.862 3.769 -4.467 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.726 3.432 -5.954 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.666 4.712 -5.120 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.427 6.118 -3.118 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.353 4.384 -2.725 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.859 5.350 -2.772 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.625 6.940 -5.290 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -2.024 6.203 -5.043 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.970 5.808 -6.498 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.567 1.541 -6.239 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.672 1.128 -7.115 1.00 0.25 C ATOM 1133 C ASP A 76 -6.537 0.072 -6.453 1.00 0.23 C ATOM 1134 O ASP A 76 -7.764 0.160 -6.468 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.118 0.581 -8.435 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.189 0.015 -9.333 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -6.907 0.796 -9.995 1.00 0.72 O ATOM 1138 OD2 ASP A 76 -6.323 -1.217 -9.411 1.00 1.07 O ATOM 0 H ASP A 76 -3.655 1.490 -6.694 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.289 2.005 -7.310 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.594 1.379 -8.961 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.383 -0.195 -8.221 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.888 -0.907 -5.871 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.528 -1.995 -5.161 1.00 0.23 C ATOM 1145 C LEU A 77 -7.471 -1.486 -4.076 1.00 0.26 C ATOM 1146 O LEU A 77 -8.661 -1.840 -4.050 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.448 -2.887 -4.541 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.908 -3.963 -3.567 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.898 -4.904 -4.222 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.702 -4.718 -3.030 1.00 0.32 C ATOM 0 H LEU A 77 -4.870 -0.973 -5.877 1.00 0.21 H new ATOM 0 HA LEU A 77 -7.127 -2.565 -5.871 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.906 -3.375 -5.352 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.736 -2.245 -4.023 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.421 -3.486 -2.732 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -7.209 -5.662 -3.503 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.769 -4.341 -4.556 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -6.428 -5.387 -5.079 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -5.035 -5.487 -2.333 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -4.167 -5.185 -3.857 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -4.038 -4.024 -2.514 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.964 -0.640 -3.212 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.755 -0.158 -2.112 1.00 0.29 C ATOM 1164 C ILE A 78 -8.782 0.863 -2.598 1.00 0.29 C ATOM 1165 O ILE A 78 -9.917 0.853 -2.145 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.886 0.409 -0.962 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.825 -0.637 -0.567 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.772 0.745 0.250 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.892 -0.206 0.540 1.00 0.34 C ATOM 0 H ILE A 78 -6.013 -0.274 -3.251 1.00 0.26 H new ATOM 0 HA ILE A 78 -8.291 -1.012 -1.696 1.00 0.29 H new ATOM 0 HB ILE A 78 -6.391 1.321 -1.295 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.333 -1.551 -0.260 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -5.232 -0.883 -1.448 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -7.153 1.143 1.054 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -8.515 1.488 -0.038 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -8.276 -0.158 0.594 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.181 -1.006 0.749 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.351 0.689 0.232 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.469 0.010 1.439 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.395 1.709 -3.562 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.330 2.687 -4.165 1.00 0.32 C ATOM 1183 C ASN A 79 -10.493 1.960 -4.798 1.00 0.31 C ATOM 1184 O ASN A 79 -11.625 2.420 -4.736 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.665 3.568 -5.242 1.00 0.44 C ATOM 1186 CG ASN A 79 -7.633 4.571 -4.735 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -6.693 4.889 -5.432 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -7.814 5.106 -3.548 1.00 0.89 N ATOM 0 H ASN A 79 -7.450 1.742 -3.943 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.663 3.337 -3.356 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -8.183 2.916 -5.971 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.446 4.115 -5.771 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -7.157 5.803 -3.197 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -8.611 4.824 -2.978 1.00 0.89 H new ATOM 1195 N GLY A 80 -10.194 0.811 -5.388 1.00 0.32 N ATOM 1196 CA GLY A 80 -11.198 -0.031 -5.994 1.00 0.39 C ATOM 1197 C GLY A 80 -12.249 -0.447 -4.998 1.00 0.42 C ATOM 1198 O GLY A 80 -13.452 -0.280 -5.243 1.00 0.47 O ATOM 0 H GLY A 80 -9.245 0.442 -5.456 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.669 0.501 -6.820 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.724 -0.918 -6.415 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.794 -0.936 -3.855 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.680 -1.338 -2.776 1.00 0.51 C ATOM 1204 C ALA A 81 -13.418 -0.127 -2.221 1.00 0.52 C ATOM 1205 O ALA A 81 -14.595 -0.193 -1.922 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.896 -2.035 -1.671 1.00 0.56 C ATOM 0 H ALA A 81 -10.803 -1.065 -3.650 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.412 -2.041 -3.173 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -12.576 -2.329 -0.872 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -11.407 -2.921 -2.075 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -11.143 -1.354 -1.274 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.718 0.989 -2.137 1.00 0.46 N ATOM 1213 CA LEU A 82 -13.254 2.233 -1.638 1.00 0.54 C ATOM 1214 C LEU A 82 -14.365 2.797 -2.521 1.00 0.62 C ATOM 1215 O LEU A 82 -15.264 3.475 -2.035 1.00 0.84 O ATOM 1216 CB LEU A 82 -12.129 3.239 -1.482 1.00 0.55 C ATOM 1217 CG LEU A 82 -11.133 2.950 -0.364 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -10.062 4.025 -0.301 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -11.853 2.824 0.963 1.00 1.03 C ATOM 0 H LEU A 82 -11.740 1.053 -2.421 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.709 2.031 -0.668 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -11.583 3.295 -2.424 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -12.567 4.222 -1.308 1.00 0.55 H new ATOM 0 HG LEU A 82 -10.640 2.002 -0.579 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.364 3.796 0.504 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -9.524 4.059 -1.249 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -10.528 4.992 -0.113 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -11.129 2.618 1.751 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -12.375 3.755 1.184 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -12.574 2.008 0.910 1.00 1.03 H new ATOM 1231 N ALA A 83 -14.296 2.518 -3.806 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.321 2.954 -4.741 1.00 0.66 C ATOM 1233 C ALA A 83 -16.595 2.128 -4.550 1.00 0.86 C ATOM 1234 O ALA A 83 -17.700 2.559 -4.900 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.815 2.843 -6.167 1.00 0.64 C ATOM 0 H ALA A 83 -13.536 1.988 -4.232 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.557 4.000 -4.544 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.593 3.173 -6.856 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.932 3.470 -6.290 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.556 1.806 -6.382 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.429 0.950 -3.993 1.00 0.92 N ATOM 1242 CA GLU A 84 -17.532 0.060 -3.692 1.00 1.18 C ATOM 1243 C GLU A 84 -18.054 0.326 -2.277 1.00 1.28 C ATOM 1244 O GLU A 84 -19.249 0.166 -1.990 1.00 1.63 O ATOM 1245 CB GLU A 84 -17.069 -1.391 -3.814 1.00 1.30 C ATOM 1246 CG GLU A 84 -16.695 -1.808 -5.228 1.00 1.61 C ATOM 1247 CD GLU A 84 -17.874 -1.723 -6.156 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -18.777 -2.574 -6.060 1.00 2.42 O ATOM 1249 OE2 GLU A 84 -17.948 -0.791 -6.970 1.00 2.66 O ATOM 0 H GLU A 84 -15.516 0.577 -3.733 1.00 0.92 H new ATOM 0 HA GLU A 84 -18.339 0.240 -4.402 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -16.208 -1.542 -3.163 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -17.862 -2.046 -3.452 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -15.893 -1.169 -5.597 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -16.311 -2.828 -5.218 1.00 1.61 H new ATOM 1256 N ALA A 85 -17.155 0.734 -1.413 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.460 1.043 -0.036 1.00 1.33 C ATOM 1258 C ALA A 85 -18.188 2.376 0.077 1.00 1.71 C ATOM 1259 O ALA A 85 -18.312 3.126 -0.904 1.00 2.30 O ATOM 1260 CB ALA A 85 -16.185 1.058 0.799 1.00 1.30 C ATOM 0 H ALA A 85 -16.172 0.863 -1.652 1.00 1.13 H new ATOM 0 HA ALA A 85 -18.120 0.265 0.348 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -16.431 1.292 1.835 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.708 0.079 0.752 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -15.503 1.813 0.408 1.00 1.30 H new ATOM 1266 N ALA A 86 -18.662 2.660 1.252 1.00 2.12 N ATOM 1267 CA ALA A 86 -19.370 3.869 1.538 1.00 2.78 C ATOM 1268 C ALA A 86 -18.983 4.327 2.925 1.00 3.16 C ATOM 1269 O ALA A 86 -19.353 3.635 3.908 1.00 3.59 O ATOM 1270 CB ALA A 86 -20.875 3.641 1.439 1.00 3.57 C ATOM 1271 OXT ALA A 86 -18.296 5.361 3.063 1.00 3.56 O ATOM 0 H ALA A 86 -18.564 2.042 2.057 1.00 2.12 H new ATOM 0 HA ALA A 86 -19.108 4.638 0.812 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -21.399 4.571 1.660 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -21.128 3.312 0.431 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -21.175 2.877 2.156 1.00 3.57 H new