USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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 -78:sc= 2.22 USER MOD Set 1.2: A 40 TYR OH : rot -139:sc= 1.31 USER MOD Set 1.3: A 48 THR OG1 : rot -65:sc= 1.21 USER MOD Single : A 6 THR OG1 : rot -67:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 46 MET CE :methyl -122:sc= -2.13 (180deg=-5.25!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 34:sc= 1.29 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 79 ASN : amide:sc= -1.05 K(o=-1.1,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -10.141 6.812 -4.666 1.00 0.89 N ATOM 45 CA LEU A 4 -9.233 5.807 -5.047 1.00 0.69 C ATOM 46 C LEU A 4 -7.786 6.225 -4.848 1.00 0.63 C ATOM 47 O LEU A 4 -7.435 7.421 -4.865 1.00 0.87 O ATOM 48 CB LEU A 4 -9.450 5.471 -6.496 1.00 0.83 C ATOM 49 CG LEU A 4 -8.969 4.116 -6.907 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.883 3.043 -6.327 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.845 4.008 -8.414 1.00 1.51 C ATOM 0 HA LEU A 4 -9.417 4.941 -4.411 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.515 5.544 -6.715 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.946 6.220 -7.107 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.969 3.960 -6.503 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.527 2.059 -6.630 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.879 3.111 -5.239 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.898 3.191 -6.696 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.493 3.011 -8.680 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.818 4.184 -8.873 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -8.134 4.752 -8.775 1.00 1.51 H new ATOM 63 N LEU A 5 -6.966 5.243 -4.672 1.00 0.49 N ATOM 64 CA LEU A 5 -5.564 5.409 -4.530 1.00 0.44 C ATOM 65 C LEU A 5 -4.901 5.065 -5.825 1.00 0.39 C ATOM 66 O LEU A 5 -5.224 4.038 -6.429 1.00 0.42 O ATOM 67 CB LEU A 5 -5.033 4.444 -3.479 1.00 0.47 C ATOM 68 CG LEU A 5 -5.554 4.609 -2.071 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.953 3.546 -1.177 1.00 0.80 C ATOM 70 CD2 LEU A 5 -5.213 5.985 -1.557 1.00 0.79 C ATOM 0 H LEU A 5 -7.268 4.270 -4.622 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.358 6.439 -4.240 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.258 3.429 -3.807 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.947 4.537 -3.452 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.638 4.496 -2.070 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.331 3.668 -0.162 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.227 2.559 -1.550 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.867 3.644 -1.174 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.591 6.098 -0.541 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -4.131 6.116 -1.558 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.670 6.737 -2.200 1.00 0.79 H new ATOM 82 N THR A 6 -4.033 5.915 -6.275 1.00 0.38 N ATOM 83 CA THR A 6 -3.191 5.598 -7.390 1.00 0.40 C ATOM 84 C THR A 6 -1.819 5.249 -6.826 1.00 0.34 C ATOM 85 O THR A 6 -1.658 5.245 -5.596 1.00 0.30 O ATOM 86 CB THR A 6 -3.077 6.767 -8.400 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.589 7.944 -7.727 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.429 7.071 -9.038 1.00 0.63 C ATOM 0 H THR A 6 -3.886 6.845 -5.883 1.00 0.38 H new ATOM 0 HA THR A 6 -3.622 4.764 -7.944 1.00 0.40 H new ATOM 0 HB THR A 6 -2.381 6.474 -9.186 1.00 0.51 H new ATOM 0 HG1 THR A 6 -3.262 8.258 -7.088 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.322 7.895 -9.743 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.789 6.188 -9.565 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.143 7.348 -8.263 1.00 0.63 H new ATOM 96 N THR A 7 -0.847 4.989 -7.670 1.00 0.37 N ATOM 97 CA THR A 7 0.505 4.693 -7.219 1.00 0.37 C ATOM 98 C THR A 7 1.085 5.856 -6.366 1.00 0.35 C ATOM 99 O THR A 7 1.734 5.625 -5.339 1.00 0.34 O ATOM 100 CB THR A 7 1.430 4.380 -8.416 1.00 0.48 C ATOM 101 OG1 THR A 7 0.811 3.365 -9.227 1.00 0.61 O ATOM 102 CG2 THR A 7 2.777 3.861 -7.932 1.00 0.56 C ATOM 0 H THR A 7 -0.964 4.975 -8.683 1.00 0.37 H new ATOM 0 HA THR A 7 0.454 3.808 -6.585 1.00 0.37 H new ATOM 0 HB THR A 7 1.586 5.294 -8.989 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.389 3.159 -9.991 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.414 3.646 -8.790 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.254 4.615 -7.306 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.629 2.949 -7.353 1.00 0.56 H new ATOM 110 N ASP A 8 0.802 7.099 -6.785 1.00 0.43 N ATOM 111 CA ASP A 8 1.302 8.302 -6.082 1.00 0.50 C ATOM 112 C ASP A 8 0.698 8.380 -4.687 1.00 0.44 C ATOM 113 O ASP A 8 1.384 8.682 -3.715 1.00 0.46 O ATOM 114 CB ASP A 8 0.947 9.608 -6.833 1.00 0.67 C ATOM 115 CG ASP A 8 1.373 9.639 -8.283 1.00 1.08 C ATOM 116 OD1 ASP A 8 2.589 9.690 -8.582 1.00 1.26 O ATOM 117 OD2 ASP A 8 0.487 9.576 -9.165 1.00 1.65 O ATOM 0 H ASP A 8 0.231 7.303 -7.605 1.00 0.43 H new ATOM 0 HA ASP A 8 2.387 8.209 -6.033 1.00 0.50 H new ATOM 0 HB2 ASP A 8 -0.131 9.759 -6.782 1.00 0.67 H new ATOM 0 HB3 ASP A 8 1.411 10.447 -6.314 1.00 0.67 H new ATOM 122 N ASP A 9 -0.595 8.092 -4.603 1.00 0.42 N ATOM 123 CA ASP A 9 -1.328 8.137 -3.326 1.00 0.42 C ATOM 124 C ASP A 9 -0.836 7.035 -2.421 1.00 0.40 C ATOM 125 O ASP A 9 -0.627 7.232 -1.225 1.00 0.45 O ATOM 126 CB ASP A 9 -2.841 7.934 -3.523 1.00 0.46 C ATOM 127 CG ASP A 9 -3.493 8.914 -4.448 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.687 10.083 -4.085 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.861 8.515 -5.566 1.00 1.41 O ATOM 0 H ASP A 9 -1.167 7.823 -5.403 1.00 0.42 H new ATOM 0 HA ASP A 9 -1.153 9.121 -2.891 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -3.011 6.927 -3.905 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.330 7.993 -2.551 1.00 0.46 H new ATOM 134 N LEU A 10 -0.620 5.878 -3.024 1.00 0.37 N ATOM 135 CA LEU A 10 -0.209 4.684 -2.324 1.00 0.36 C ATOM 136 C LEU A 10 1.172 4.870 -1.718 1.00 0.36 C ATOM 137 O LEU A 10 1.396 4.514 -0.562 1.00 0.41 O ATOM 138 CB LEU A 10 -0.192 3.503 -3.295 1.00 0.35 C ATOM 139 CG LEU A 10 -0.018 2.135 -2.666 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.216 1.821 -1.792 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.172 1.071 -3.733 1.00 0.37 C ATOM 0 H LEU A 10 -0.728 5.745 -4.030 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.918 4.487 -1.520 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -1.125 3.507 -3.859 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.614 3.658 -4.012 1.00 0.35 H new ATOM 0 HG LEU A 10 0.878 2.141 -2.045 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.089 0.837 -1.341 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.300 2.572 -1.007 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.121 1.828 -2.399 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.295 0.098 -3.258 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.701 1.049 -4.385 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.059 1.302 -4.323 1.00 0.37 H new ATOM 153 N ARG A 11 2.081 5.456 -2.502 1.00 0.36 N ATOM 154 CA ARG A 11 3.460 5.726 -2.080 1.00 0.38 C ATOM 155 C ARG A 11 3.514 6.431 -0.733 1.00 0.39 C ATOM 156 O ARG A 11 4.319 6.068 0.128 1.00 0.41 O ATOM 157 CB ARG A 11 4.182 6.569 -3.131 1.00 0.42 C ATOM 158 CG ARG A 11 5.560 7.056 -2.700 1.00 0.52 C ATOM 159 CD ARG A 11 6.227 7.856 -3.789 1.00 0.71 C ATOM 160 NE ARG A 11 5.422 8.993 -4.215 1.00 1.21 N ATOM 161 CZ ARG A 11 5.263 9.374 -5.474 1.00 1.60 C ATOM 162 NH1 ARG A 11 5.727 8.610 -6.462 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.605 10.497 -5.754 1.00 2.46 N ATOM 0 H ARG A 11 1.880 5.759 -3.455 1.00 0.36 H new ATOM 0 HA ARG A 11 3.961 4.763 -1.976 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.285 5.982 -4.044 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.564 7.433 -3.376 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.467 7.668 -1.803 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.185 6.201 -2.440 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.194 8.212 -3.434 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.420 7.209 -4.645 1.00 0.71 H new ATOM 0 HE ARG A 11 4.947 9.534 -3.493 1.00 1.21 H new ATOM 0 HH11 ARG A 11 6.203 7.734 -6.248 1.00 1.92 H new ATOM 0 HH12 ARG A 11 5.606 8.901 -7.432 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.222 11.066 -4.999 1.00 2.46 H new ATOM 0 HH22 ARG A 11 4.484 10.789 -6.724 1.00 2.46 H new ATOM 177 N ARG A 12 2.621 7.389 -0.551 1.00 0.42 N ATOM 178 CA ARG A 12 2.553 8.196 0.656 1.00 0.47 C ATOM 179 C ARG A 12 2.418 7.320 1.895 1.00 0.43 C ATOM 180 O ARG A 12 3.124 7.515 2.874 1.00 0.48 O ATOM 181 CB ARG A 12 1.374 9.140 0.559 1.00 0.60 C ATOM 182 CG ARG A 12 1.242 10.120 1.705 1.00 1.18 C ATOM 183 CD ARG A 12 0.020 10.978 1.504 1.00 1.47 C ATOM 184 NE ARG A 12 0.071 11.640 0.204 1.00 2.25 N ATOM 185 CZ ARG A 12 -0.952 11.809 -0.630 1.00 2.83 C ATOM 186 NH1 ARG A 12 -2.183 11.493 -0.267 1.00 2.60 N ATOM 187 NH2 ARG A 12 -0.717 12.313 -1.826 1.00 3.93 N ATOM 0 H ARG A 12 1.914 7.631 -1.245 1.00 0.42 H new ATOM 0 HA ARG A 12 3.477 8.766 0.747 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.453 9.702 -0.372 1.00 0.60 H new ATOM 0 HB3 ARG A 12 0.460 8.550 0.498 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.168 9.581 2.650 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.132 10.747 1.764 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.878 10.364 1.572 1.00 1.47 H new ATOM 0 HD3 ARG A 12 -0.043 11.724 2.297 1.00 1.47 H new ATOM 0 HE ARG A 12 0.975 12.007 -0.093 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -2.359 11.114 0.663 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -2.957 11.628 -0.917 1.00 2.60 H new ATOM 0 HH21 ARG A 12 0.234 12.565 -2.096 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -1.486 12.451 -2.481 1.00 3.93 H new ATOM 201 N ALA A 13 1.562 6.314 1.810 1.00 0.40 N ATOM 202 CA ALA A 13 1.317 5.416 2.921 1.00 0.42 C ATOM 203 C ALA A 13 2.572 4.642 3.276 1.00 0.41 C ATOM 204 O ALA A 13 2.896 4.482 4.459 1.00 0.50 O ATOM 205 CB ALA A 13 0.198 4.462 2.591 1.00 0.45 C ATOM 0 H ALA A 13 1.021 6.100 0.972 1.00 0.40 H new ATOM 0 HA ALA A 13 1.026 6.017 3.783 1.00 0.42 H new ATOM 0 HB1 ALA A 13 0.027 3.795 3.436 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.712 5.026 2.384 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.468 3.874 1.714 1.00 0.45 H new ATOM 211 N LEU A 14 3.288 4.180 2.257 1.00 0.38 N ATOM 212 CA LEU A 14 4.526 3.447 2.454 1.00 0.46 C ATOM 213 C LEU A 14 5.583 4.344 3.091 1.00 0.54 C ATOM 214 O LEU A 14 6.351 3.895 3.927 1.00 0.69 O ATOM 215 CB LEU A 14 5.062 2.851 1.130 1.00 0.48 C ATOM 216 CG LEU A 14 4.343 1.618 0.523 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.373 0.435 1.461 1.00 1.21 C ATOM 218 CD2 LEU A 14 2.921 1.918 0.090 1.00 1.44 C ATOM 0 H LEU A 14 3.026 4.304 1.279 1.00 0.38 H new ATOM 0 HA LEU A 14 4.307 2.617 3.126 1.00 0.46 H new ATOM 0 HB2 LEU A 14 5.048 3.643 0.381 1.00 0.48 H new ATOM 0 HB3 LEU A 14 6.106 2.580 1.288 1.00 0.48 H new ATOM 0 HG LEU A 14 4.904 1.359 -0.375 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.859 -0.408 1.000 1.00 1.21 H new ATOM 0 HD12 LEU A 14 5.407 0.161 1.668 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.874 0.698 2.394 1.00 1.21 H new ATOM 0 HD21 LEU A 14 2.470 1.017 -0.326 1.00 1.44 H new ATOM 0 HD22 LEU A 14 2.341 2.250 0.951 1.00 1.44 H new ATOM 0 HD23 LEU A 14 2.929 2.703 -0.666 1.00 1.44 H new ATOM 230 N VAL A 15 5.599 5.610 2.700 1.00 0.53 N ATOM 231 CA VAL A 15 6.527 6.587 3.271 1.00 0.63 C ATOM 232 C VAL A 15 6.172 6.849 4.741 1.00 0.66 C ATOM 233 O VAL A 15 7.026 6.703 5.634 1.00 0.80 O ATOM 234 CB VAL A 15 6.504 7.930 2.475 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.423 8.964 3.122 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.925 7.702 1.032 1.00 0.71 C ATOM 0 H VAL A 15 4.978 5.990 1.986 1.00 0.53 H new ATOM 0 HA VAL A 15 7.533 6.172 3.205 1.00 0.63 H new ATOM 0 HB VAL A 15 5.483 8.311 2.493 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.389 9.890 2.549 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.092 9.157 4.143 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.444 8.584 3.137 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.903 8.649 0.493 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.936 7.294 1.008 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.239 6.999 0.559 1.00 0.71 H new ATOM 246 N GLU A 16 4.906 7.198 4.982 1.00 0.62 N ATOM 247 CA GLU A 16 4.420 7.535 6.319 1.00 0.71 C ATOM 248 C GLU A 16 4.606 6.394 7.312 1.00 0.74 C ATOM 249 O GLU A 16 4.997 6.621 8.456 1.00 0.89 O ATOM 250 CB GLU A 16 2.949 7.957 6.288 1.00 0.79 C ATOM 251 CG GLU A 16 2.674 9.223 5.500 1.00 0.87 C ATOM 252 CD GLU A 16 1.229 9.644 5.574 1.00 1.20 C ATOM 253 OE1 GLU A 16 0.836 10.300 6.561 1.00 1.38 O ATOM 254 OE2 GLU A 16 0.454 9.352 4.656 1.00 2.05 O ATOM 0 H GLU A 16 4.191 7.254 4.256 1.00 0.62 H new ATOM 0 HA GLU A 16 5.025 8.376 6.657 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.360 7.144 5.863 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.603 8.099 7.312 1.00 0.79 H new ATOM 0 HG2 GLU A 16 3.304 10.028 5.879 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.951 9.066 4.457 1.00 0.87 H new ATOM 261 N SER A 17 4.356 5.173 6.884 1.00 0.68 N ATOM 262 CA SER A 17 4.502 4.045 7.784 1.00 0.77 C ATOM 263 C SER A 17 5.967 3.652 7.997 1.00 0.89 C ATOM 264 O SER A 17 6.292 2.922 8.937 1.00 1.15 O ATOM 265 CB SER A 17 3.624 2.853 7.365 1.00 0.73 C ATOM 266 OG SER A 17 3.802 2.513 6.000 1.00 1.39 O ATOM 0 H SER A 17 4.056 4.938 5.938 1.00 0.68 H new ATOM 0 HA SER A 17 4.134 4.372 8.756 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.863 1.991 7.987 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.576 3.094 7.544 1.00 0.73 H new ATOM 0 HG SER A 17 3.301 3.141 5.439 1.00 1.39 H new ATOM 400 N ASP A 29 6.294 4.923 -10.483 1.00 0.70 N ATOM 401 CA ASP A 29 5.537 3.740 -10.197 1.00 0.64 C ATOM 402 C ASP A 29 6.481 2.670 -9.721 1.00 0.55 C ATOM 403 O ASP A 29 7.458 2.343 -10.386 1.00 0.74 O ATOM 404 CB ASP A 29 4.670 3.261 -11.400 1.00 0.80 C ATOM 405 CG ASP A 29 5.452 2.799 -12.621 1.00 1.29 C ATOM 406 OD1 ASP A 29 5.912 3.653 -13.400 1.00 1.68 O ATOM 407 OD2 ASP A 29 5.588 1.572 -12.844 1.00 2.07 O ATOM 0 HA ASP A 29 4.818 3.972 -9.411 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.034 2.442 -11.065 1.00 0.80 H new ATOM 0 HB3 ASP A 29 4.010 4.076 -11.698 1.00 0.80 H new ATOM 412 N PHE A 30 6.231 2.175 -8.543 1.00 0.39 N ATOM 413 CA PHE A 30 7.075 1.156 -7.958 1.00 0.34 C ATOM 414 C PHE A 30 6.279 -0.133 -7.796 1.00 0.31 C ATOM 415 O PHE A 30 6.655 -1.025 -7.054 1.00 0.31 O ATOM 416 CB PHE A 30 7.670 1.641 -6.603 1.00 0.35 C ATOM 417 CG PHE A 30 6.674 1.866 -5.479 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.832 2.969 -5.504 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.579 0.982 -4.409 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.918 3.193 -4.490 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.667 1.202 -3.391 1.00 0.38 C ATOM 422 CZ PHE A 30 4.856 2.244 -3.402 1.00 0.42 C ATOM 0 H PHE A 30 5.444 2.459 -7.959 1.00 0.39 H new ATOM 0 HA PHE A 30 7.916 0.959 -8.623 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.405 0.908 -6.269 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.207 2.574 -6.778 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.891 3.664 -6.329 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.223 0.116 -4.372 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.268 4.055 -4.511 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.618 0.505 -2.568 1.00 0.38 H new ATOM 0 HZ PHE A 30 4.148 2.387 -2.599 1.00 0.42 H new ATOM 432 N LEU A 31 5.189 -0.215 -8.547 1.00 0.31 N ATOM 433 CA LEU A 31 4.249 -1.338 -8.520 1.00 0.31 C ATOM 434 C LEU A 31 4.891 -2.712 -8.693 1.00 0.31 C ATOM 435 O LEU A 31 4.391 -3.684 -8.146 1.00 0.35 O ATOM 436 CB LEU A 31 3.123 -1.162 -9.538 1.00 0.33 C ATOM 437 CG LEU A 31 2.164 0.007 -9.308 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.061 -0.035 -10.326 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.566 -0.058 -7.927 1.00 0.32 C ATOM 0 H LEU A 31 4.923 0.513 -9.210 1.00 0.31 H new ATOM 0 HA LEU A 31 3.837 -1.315 -7.511 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.572 -1.045 -10.524 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.539 -2.082 -9.561 1.00 0.33 H new ATOM 0 HG LEU A 31 2.725 0.936 -9.406 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.380 0.799 -10.159 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.487 0.039 -11.327 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.515 -0.974 -10.232 1.00 0.39 H new ATOM 0 HD21 LEU A 31 0.887 0.783 -7.785 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.016 -0.992 -7.812 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.362 -0.012 -7.183 1.00 0.32 H new ATOM 451 N ASP A 32 5.971 -2.796 -9.450 1.00 0.31 N ATOM 452 CA ASP A 32 6.619 -4.094 -9.697 1.00 0.37 C ATOM 453 C ASP A 32 7.764 -4.357 -8.721 1.00 0.37 C ATOM 454 O ASP A 32 8.401 -5.424 -8.751 1.00 0.45 O ATOM 455 CB ASP A 32 7.114 -4.217 -11.146 1.00 0.48 C ATOM 456 CG ASP A 32 8.340 -3.397 -11.463 1.00 1.29 C ATOM 457 OD1 ASP A 32 8.251 -2.149 -11.539 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.416 -3.987 -11.687 1.00 1.83 O ATOM 0 H ASP A 32 6.420 -2.000 -9.903 1.00 0.31 H new ATOM 0 HA ASP A 32 5.856 -4.855 -9.532 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.330 -5.265 -11.354 1.00 0.48 H new ATOM 0 HB3 ASP A 32 6.309 -3.918 -11.818 1.00 0.48 H new ATOM 463 N LEU A 33 8.023 -3.404 -7.857 1.00 0.35 N ATOM 464 CA LEU A 33 9.028 -3.560 -6.831 1.00 0.37 C ATOM 465 C LEU A 33 8.436 -4.334 -5.691 1.00 0.34 C ATOM 466 O LEU A 33 7.372 -4.012 -5.210 1.00 0.40 O ATOM 467 CB LEU A 33 9.597 -2.212 -6.336 1.00 0.41 C ATOM 468 CG LEU A 33 10.623 -1.492 -7.243 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.048 -1.136 -8.594 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.142 -0.247 -6.557 1.00 1.27 C ATOM 0 H LEU A 33 7.546 -2.503 -7.845 1.00 0.35 H new ATOM 0 HA LEU A 33 9.870 -4.102 -7.263 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.760 -1.534 -6.172 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.066 -2.381 -5.366 1.00 0.41 H new ATOM 0 HG LEU A 33 11.445 -2.187 -7.413 1.00 0.51 H new ATOM 0 HD11 LEU A 33 10.808 -0.633 -9.192 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.728 -2.045 -9.104 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.193 -0.473 -8.462 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.863 0.251 -7.205 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.311 0.428 -6.352 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.626 -0.523 -5.620 1.00 1.27 H new ATOM 482 N ARG A 34 9.116 -5.348 -5.270 1.00 0.33 N ATOM 483 CA ARG A 34 8.622 -6.197 -4.215 1.00 0.34 C ATOM 484 C ARG A 34 8.777 -5.458 -2.910 1.00 0.29 C ATOM 485 O ARG A 34 9.773 -4.744 -2.725 1.00 0.34 O ATOM 486 CB ARG A 34 9.411 -7.526 -4.151 1.00 0.47 C ATOM 487 CG ARG A 34 9.285 -8.471 -5.367 1.00 0.61 C ATOM 488 CD ARG A 34 9.845 -7.884 -6.663 1.00 1.10 C ATOM 489 NE ARG A 34 11.235 -7.410 -6.509 1.00 1.91 N ATOM 490 CZ ARG A 34 11.809 -6.467 -7.272 1.00 3.03 C ATOM 491 NH1 ARG A 34 11.122 -5.891 -8.264 1.00 3.63 N ATOM 492 NH2 ARG A 34 13.053 -6.080 -7.020 1.00 3.94 N ATOM 0 H ARG A 34 10.027 -5.619 -5.640 1.00 0.33 H new ATOM 0 HA ARG A 34 7.576 -6.438 -4.407 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.466 -7.288 -4.013 1.00 0.47 H new ATOM 0 HB3 ARG A 34 9.088 -8.070 -3.263 1.00 0.47 H new ATOM 0 HG2 ARG A 34 9.805 -9.403 -5.147 1.00 0.61 H new ATOM 0 HG3 ARG A 34 8.234 -8.719 -5.515 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.806 -8.639 -7.448 1.00 1.10 H new ATOM 0 HD3 ARG A 34 9.215 -7.056 -6.986 1.00 1.10 H new ATOM 0 HE ARG A 34 11.799 -7.829 -5.770 1.00 1.91 H new ATOM 0 HH11 ARG A 34 10.157 -6.168 -8.444 1.00 3.63 H new ATOM 0 HH12 ARG A 34 11.563 -5.175 -8.841 1.00 3.63 H new ATOM 0 HH21 ARG A 34 13.571 -6.499 -6.248 1.00 3.94 H new ATOM 0 HH22 ARG A 34 13.491 -5.363 -7.599 1.00 3.94 H new ATOM 506 N PHE A 35 7.822 -5.607 -2.009 1.00 0.25 N ATOM 507 CA PHE A 35 7.901 -4.922 -0.727 1.00 0.24 C ATOM 508 C PHE A 35 9.150 -5.357 0.011 1.00 0.27 C ATOM 509 O PHE A 35 9.857 -4.541 0.570 1.00 0.29 O ATOM 510 CB PHE A 35 6.679 -5.160 0.154 1.00 0.26 C ATOM 511 CG PHE A 35 5.376 -4.746 -0.437 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.080 -3.417 -0.588 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.456 -5.690 -0.860 1.00 0.27 C ATOM 514 CE1 PHE A 35 3.894 -3.021 -1.148 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.262 -5.298 -1.421 1.00 0.32 C ATOM 516 CZ PHE A 35 2.939 -4.007 -1.498 1.00 0.35 C ATOM 0 H PHE A 35 6.993 -6.187 -2.136 1.00 0.25 H new ATOM 0 HA PHE A 35 7.937 -3.854 -0.942 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.628 -6.221 0.396 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.819 -4.625 1.093 1.00 0.26 H new ATOM 0 HD1 PHE A 35 5.791 -2.672 -0.261 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.677 -6.741 -0.749 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.691 -1.974 -1.320 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.580 -6.044 -1.803 1.00 0.32 H new ATOM 0 HZ PHE A 35 1.953 -3.714 -1.826 1.00 0.35 H new ATOM 526 N GLU A 36 9.434 -6.644 -0.040 1.00 0.37 N ATOM 527 CA GLU A 36 10.635 -7.219 0.567 1.00 0.47 C ATOM 528 C GLU A 36 11.917 -6.576 0.029 1.00 0.46 C ATOM 529 O GLU A 36 12.912 -6.481 0.740 1.00 0.51 O ATOM 530 CB GLU A 36 10.658 -8.715 0.364 1.00 0.64 C ATOM 531 CG GLU A 36 9.545 -9.420 1.098 1.00 1.56 C ATOM 532 CD GLU A 36 9.453 -10.861 0.746 1.00 2.12 C ATOM 533 OE1 GLU A 36 10.211 -11.661 1.330 1.00 2.45 O ATOM 534 OE2 GLU A 36 8.632 -11.229 -0.109 1.00 2.79 O ATOM 0 H GLU A 36 8.839 -7.330 -0.505 1.00 0.37 H new ATOM 0 HA GLU A 36 10.598 -7.008 1.636 1.00 0.47 H new ATOM 0 HB2 GLU A 36 10.581 -8.934 -0.701 1.00 0.64 H new ATOM 0 HB3 GLU A 36 11.617 -9.109 0.702 1.00 0.64 H new ATOM 0 HG2 GLU A 36 9.703 -9.321 2.172 1.00 1.56 H new ATOM 0 HG3 GLU A 36 8.597 -8.932 0.869 1.00 1.56 H new ATOM 541 N ASP A 37 11.857 -6.067 -1.198 1.00 0.44 N ATOM 542 CA ASP A 37 13.015 -5.437 -1.830 1.00 0.50 C ATOM 543 C ASP A 37 13.145 -4.028 -1.304 1.00 0.48 C ATOM 544 O ASP A 37 14.237 -3.542 -1.064 1.00 0.60 O ATOM 545 CB ASP A 37 12.858 -5.396 -3.365 1.00 0.57 C ATOM 546 CG ASP A 37 14.092 -4.864 -4.101 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.368 -3.645 -4.057 1.00 0.88 O ATOM 548 OD2 ASP A 37 14.776 -5.666 -4.781 1.00 0.74 O ATOM 0 H ASP A 37 11.017 -6.078 -1.777 1.00 0.44 H new ATOM 0 HA ASP A 37 13.905 -6.020 -1.594 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.638 -6.401 -3.725 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.000 -4.772 -3.616 1.00 0.57 H new ATOM 553 N ILE A 38 12.017 -3.398 -1.037 1.00 0.40 N ATOM 554 CA ILE A 38 12.025 -2.031 -0.554 1.00 0.42 C ATOM 555 C ILE A 38 12.040 -1.995 0.983 1.00 0.42 C ATOM 556 O ILE A 38 11.811 -0.945 1.600 1.00 0.50 O ATOM 557 CB ILE A 38 10.841 -1.168 -1.119 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.477 -1.673 -0.605 1.00 0.47 C ATOM 559 CG2 ILE A 38 10.861 -1.184 -2.648 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.288 -0.837 -1.045 1.00 0.60 C ATOM 0 H ILE A 38 11.089 -3.808 -1.145 1.00 0.40 H new ATOM 0 HA ILE A 38 12.943 -1.578 -0.929 1.00 0.42 H new ATOM 0 HB ILE A 38 10.976 -0.146 -0.766 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.331 -2.698 -0.947 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.502 -1.701 0.484 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.036 -0.582 -3.029 1.00 0.56 H new ATOM 0 HG22 ILE A 38 11.805 -0.772 -3.004 1.00 0.56 H new ATOM 0 HG23 ILE A 38 10.756 -2.209 -3.003 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.372 -1.265 -0.638 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.405 0.183 -0.680 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.232 -0.828 -2.134 1.00 0.60 H new ATOM 572 N GLY A 39 12.393 -3.130 1.580 1.00 0.42 N ATOM 573 CA GLY A 39 12.523 -3.242 3.021 1.00 0.50 C ATOM 574 C GLY A 39 11.194 -3.282 3.752 1.00 0.47 C ATOM 575 O GLY A 39 11.071 -2.750 4.856 1.00 0.66 O ATOM 0 H GLY A 39 12.595 -3.993 1.076 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.085 -4.146 3.257 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.106 -2.399 3.391 1.00 0.50 H new ATOM 579 N TYR A 40 10.203 -3.873 3.144 1.00 0.36 N ATOM 580 CA TYR A 40 8.904 -3.991 3.749 1.00 0.36 C ATOM 581 C TYR A 40 8.483 -5.412 3.968 1.00 0.42 C ATOM 582 O TYR A 40 8.191 -6.154 3.023 1.00 0.59 O ATOM 583 CB TYR A 40 7.835 -3.228 2.978 1.00 0.36 C ATOM 584 CG TYR A 40 7.537 -1.905 3.586 1.00 0.49 C ATOM 585 CD1 TYR A 40 6.595 -1.812 4.590 1.00 0.64 C ATOM 586 CD2 TYR A 40 8.202 -0.756 3.192 1.00 0.70 C ATOM 587 CE1 TYR A 40 6.322 -0.622 5.194 1.00 0.90 C ATOM 588 CE2 TYR A 40 7.927 0.452 3.789 1.00 0.95 C ATOM 589 CZ TYR A 40 6.983 0.506 4.794 1.00 1.04 C ATOM 590 OH TYR A 40 6.719 1.682 5.421 1.00 1.33 O ATOM 0 H TYR A 40 10.273 -4.287 2.214 1.00 0.36 H new ATOM 0 HA TYR A 40 9.004 -3.531 4.732 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.164 -3.086 1.949 1.00 0.36 H new ATOM 0 HB3 TYR A 40 6.922 -3.823 2.942 1.00 0.36 H new ATOM 0 HD1 TYR A 40 6.064 -2.699 4.903 1.00 0.64 H new ATOM 0 HD2 TYR A 40 8.944 -0.809 2.409 1.00 0.70 H new ATOM 0 HE1 TYR A 40 5.588 -0.570 5.984 1.00 0.90 H new ATOM 0 HE2 TYR A 40 8.443 1.347 3.475 1.00 0.95 H new ATOM 0 HH TYR A 40 6.674 2.403 4.759 1.00 1.33 H new ATOM 600 N ASP A 41 8.468 -5.795 5.207 1.00 0.42 N ATOM 601 CA ASP A 41 7.973 -7.088 5.592 1.00 0.51 C ATOM 602 C ASP A 41 6.497 -6.958 5.750 1.00 0.44 C ATOM 603 O ASP A 41 6.007 -5.888 6.131 1.00 0.38 O ATOM 604 CB ASP A 41 8.570 -7.562 6.912 1.00 0.67 C ATOM 605 CG ASP A 41 10.070 -7.732 6.864 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.795 -6.722 6.870 1.00 0.99 O ATOM 607 OD2 ASP A 41 10.558 -8.895 6.805 1.00 1.06 O ATOM 0 H ASP A 41 8.798 -5.222 5.984 1.00 0.42 H new ATOM 0 HA ASP A 41 8.248 -7.819 4.831 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.318 -6.846 7.694 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.113 -8.512 7.189 1.00 0.67 H new ATOM 612 N SER A 42 5.798 -8.002 5.452 1.00 0.51 N ATOM 613 CA SER A 42 4.362 -8.063 5.506 1.00 0.48 C ATOM 614 C SER A 42 3.756 -7.576 6.842 1.00 0.41 C ATOM 615 O SER A 42 2.664 -7.013 6.855 1.00 0.37 O ATOM 616 CB SER A 42 3.944 -9.456 5.141 1.00 0.59 C ATOM 617 OG SER A 42 4.679 -10.407 5.895 1.00 1.03 O ATOM 0 H SER A 42 6.224 -8.878 5.150 1.00 0.51 H new ATOM 0 HA SER A 42 3.956 -7.355 4.783 1.00 0.48 H new ATOM 0 HB2 SER A 42 2.877 -9.582 5.325 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.105 -9.624 4.076 1.00 0.59 H new ATOM 0 HG SER A 42 4.394 -11.311 5.647 1.00 1.03 H new ATOM 623 N LEU A 43 4.482 -7.761 7.944 1.00 0.45 N ATOM 624 CA LEU A 43 4.037 -7.294 9.252 1.00 0.46 C ATOM 625 C LEU A 43 3.954 -5.762 9.212 1.00 0.41 C ATOM 626 O LEU A 43 2.907 -5.181 9.491 1.00 0.41 O ATOM 627 CB LEU A 43 5.039 -7.783 10.341 1.00 0.59 C ATOM 628 CG LEU A 43 4.634 -7.685 11.842 1.00 0.75 C ATOM 629 CD1 LEU A 43 5.668 -8.396 12.695 1.00 1.56 C ATOM 630 CD2 LEU A 43 4.506 -6.240 12.325 1.00 1.24 C ATOM 0 H LEU A 43 5.386 -8.234 7.954 1.00 0.45 H new ATOM 0 HA LEU A 43 3.054 -7.695 9.499 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.269 -8.827 10.130 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.964 -7.221 10.213 1.00 0.59 H new ATOM 0 HG LEU A 43 3.656 -8.157 11.939 1.00 0.75 H new ATOM 0 HD11 LEU A 43 5.383 -8.327 13.745 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.722 -9.445 12.402 1.00 1.56 H new ATOM 0 HD13 LEU A 43 6.642 -7.928 12.551 1.00 1.56 H new ATOM 0 HD21 LEU A 43 4.222 -6.232 13.377 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.461 -5.730 12.203 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.743 -5.727 11.739 1.00 1.24 H new ATOM 642 N ALA A 44 5.051 -5.128 8.820 1.00 0.39 N ATOM 643 CA ALA A 44 5.118 -3.672 8.703 1.00 0.39 C ATOM 644 C ALA A 44 4.146 -3.181 7.634 1.00 0.34 C ATOM 645 O ALA A 44 3.519 -2.145 7.776 1.00 0.40 O ATOM 646 CB ALA A 44 6.539 -3.227 8.384 1.00 0.43 C ATOM 0 H ALA A 44 5.919 -5.604 8.574 1.00 0.39 H new ATOM 0 HA ALA A 44 4.830 -3.233 9.658 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.570 -2.141 8.301 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.209 -3.549 9.181 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.857 -3.673 7.441 1.00 0.43 H new ATOM 652 N LEU A 45 4.002 -3.977 6.594 1.00 0.29 N ATOM 653 CA LEU A 45 3.118 -3.691 5.476 1.00 0.28 C ATOM 654 C LEU A 45 1.646 -3.594 5.926 1.00 0.25 C ATOM 655 O LEU A 45 0.886 -2.757 5.424 1.00 0.26 O ATOM 656 CB LEU A 45 3.290 -4.777 4.412 1.00 0.30 C ATOM 657 CG LEU A 45 2.445 -4.659 3.151 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.749 -3.365 2.422 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.702 -5.847 2.254 1.00 0.38 C ATOM 0 H LEU A 45 4.505 -4.859 6.498 1.00 0.29 H new ATOM 0 HA LEU A 45 3.387 -2.722 5.056 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.339 -4.795 4.115 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.073 -5.740 4.875 1.00 0.30 H new ATOM 0 HG LEU A 45 1.392 -4.647 3.431 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.135 -3.300 1.524 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.529 -2.520 3.074 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.803 -3.343 2.143 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.096 -5.760 1.352 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.757 -5.875 1.981 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.439 -6.764 2.781 1.00 0.38 H new ATOM 671 N MET A 46 1.243 -4.440 6.869 1.00 0.24 N ATOM 672 CA MET A 46 -0.124 -4.379 7.396 1.00 0.23 C ATOM 673 C MET A 46 -0.368 -3.052 8.106 1.00 0.25 C ATOM 674 O MET A 46 -1.457 -2.531 8.082 1.00 0.27 O ATOM 675 CB MET A 46 -0.453 -5.536 8.339 1.00 0.27 C ATOM 676 CG MET A 46 -0.337 -6.922 7.719 1.00 0.34 C ATOM 677 SD MET A 46 -0.683 -8.257 8.895 1.00 0.50 S ATOM 678 CE MET A 46 0.563 -7.948 10.145 1.00 1.49 C ATOM 0 H MET A 46 1.829 -5.166 7.281 1.00 0.24 H new ATOM 0 HA MET A 46 -0.787 -4.464 6.535 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.212 -5.483 9.201 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.469 -5.404 8.711 1.00 0.27 H new ATOM 0 HG2 MET A 46 -1.028 -6.997 6.879 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.668 -7.051 7.317 1.00 0.34 H new ATOM 0 HE1 MET A 46 1.191 -8.831 10.259 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.179 -7.101 9.843 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.078 -7.724 11.095 1.00 1.49 H new ATOM 688 N GLU A 47 0.672 -2.518 8.738 1.00 0.29 N ATOM 689 CA GLU A 47 0.602 -1.232 9.440 1.00 0.34 C ATOM 690 C GLU A 47 0.382 -0.088 8.419 1.00 0.32 C ATOM 691 O GLU A 47 -0.285 0.911 8.693 1.00 0.36 O ATOM 692 CB GLU A 47 1.897 -1.022 10.241 1.00 0.45 C ATOM 693 CG GLU A 47 1.880 0.155 11.193 1.00 0.58 C ATOM 694 CD GLU A 47 0.789 0.039 12.230 1.00 1.03 C ATOM 695 OE1 GLU A 47 0.898 -0.816 13.127 1.00 1.25 O ATOM 696 OE2 GLU A 47 -0.210 0.774 12.148 1.00 1.88 O ATOM 0 H GLU A 47 1.590 -2.961 8.781 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.239 -1.230 10.133 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.104 -1.928 10.811 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.722 -0.891 9.541 1.00 0.45 H new ATOM 0 HG2 GLU A 47 2.846 0.229 11.692 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.743 1.076 10.626 1.00 0.58 H new ATOM 703 N THR A 48 0.931 -0.286 7.245 1.00 0.30 N ATOM 704 CA THR A 48 0.832 0.629 6.128 1.00 0.33 C ATOM 705 C THR A 48 -0.617 0.653 5.689 1.00 0.29 C ATOM 706 O THR A 48 -1.267 1.713 5.634 1.00 0.33 O ATOM 707 CB THR A 48 1.705 0.114 4.964 1.00 0.36 C ATOM 708 OG1 THR A 48 3.053 -0.076 5.410 1.00 0.42 O ATOM 709 CG2 THR A 48 1.682 1.083 3.794 1.00 0.45 C ATOM 0 H THR A 48 1.480 -1.119 7.031 1.00 0.30 H new ATOM 0 HA THR A 48 1.171 1.625 6.413 1.00 0.33 H new ATOM 0 HB THR A 48 1.296 -0.839 4.628 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.442 0.790 5.654 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.305 0.695 2.988 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.658 1.199 3.438 1.00 0.45 H new ATOM 0 HG23 THR A 48 2.066 2.051 4.116 1.00 0.45 H new ATOM 717 N ALA A 49 -1.104 -0.546 5.387 1.00 0.25 N ATOM 718 CA ALA A 49 -2.468 -0.784 4.998 1.00 0.24 C ATOM 719 C ALA A 49 -3.409 -0.254 6.066 1.00 0.22 C ATOM 720 O ALA A 49 -4.430 0.328 5.753 1.00 0.23 O ATOM 721 CB ALA A 49 -2.676 -2.278 4.790 1.00 0.27 C ATOM 0 H ALA A 49 -0.537 -1.394 5.410 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.682 -0.264 4.065 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.709 -2.464 4.495 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.005 -2.633 4.008 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.463 -2.808 5.718 1.00 0.27 H new ATOM 727 N ALA A 50 -3.016 -0.423 7.325 1.00 0.23 N ATOM 728 CA ALA A 50 -3.787 0.027 8.458 1.00 0.26 C ATOM 729 C ALA A 50 -4.084 1.527 8.404 1.00 0.28 C ATOM 730 O ALA A 50 -5.223 1.964 8.682 1.00 0.30 O ATOM 731 CB ALA A 50 -3.125 -0.343 9.772 1.00 0.33 C ATOM 0 H ALA A 50 -2.142 -0.883 7.580 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.742 -0.495 8.402 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.737 0.014 10.601 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.023 -1.426 9.836 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.139 0.118 9.825 1.00 0.33 H new ATOM 737 N ARG A 51 -3.069 2.311 8.032 1.00 0.31 N ATOM 738 CA ARG A 51 -3.207 3.763 7.911 1.00 0.37 C ATOM 739 C ARG A 51 -4.160 4.095 6.773 1.00 0.36 C ATOM 740 O ARG A 51 -4.993 4.993 6.880 1.00 0.40 O ATOM 741 CB ARG A 51 -1.841 4.436 7.683 1.00 0.45 C ATOM 742 CG ARG A 51 -0.826 4.116 8.764 1.00 0.54 C ATOM 743 CD ARG A 51 0.491 4.845 8.578 1.00 0.70 C ATOM 744 NE ARG A 51 0.384 6.293 8.807 1.00 1.59 N ATOM 745 CZ ARG A 51 1.349 7.052 9.366 1.00 1.76 C ATOM 746 NH1 ARG A 51 2.410 6.476 9.929 1.00 1.27 N ATOM 747 NH2 ARG A 51 1.216 8.373 9.436 1.00 2.84 N ATOM 0 H ARG A 51 -2.137 1.961 7.808 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.614 4.150 8.845 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.445 4.120 6.718 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -1.980 5.516 7.633 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.245 4.377 9.736 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.642 3.042 8.774 1.00 0.54 H new ATOM 0 HD2 ARG A 51 1.230 4.428 9.262 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.858 4.669 7.567 1.00 0.70 H new ATOM 0 HE ARG A 51 -0.480 6.756 8.524 1.00 1.59 H new ATOM 0 HH11 ARG A 51 2.494 5.459 9.938 1.00 1.27 H new ATOM 0 HH12 ARG A 51 3.139 7.051 10.351 1.00 1.27 H new ATOM 0 HH21 ARG A 51 0.378 8.822 9.065 1.00 2.84 H new ATOM 0 HH22 ARG A 51 1.952 8.938 9.861 1.00 2.84 H new ATOM 761 N LEU A 52 -4.057 3.326 5.705 1.00 0.32 N ATOM 762 CA LEU A 52 -4.913 3.461 4.543 1.00 0.34 C ATOM 763 C LEU A 52 -6.363 3.156 4.909 1.00 0.33 C ATOM 764 O LEU A 52 -7.277 3.909 4.549 1.00 0.37 O ATOM 765 CB LEU A 52 -4.409 2.532 3.440 1.00 0.35 C ATOM 766 CG LEU A 52 -3.081 2.939 2.808 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.555 1.840 1.910 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.256 4.224 2.011 1.00 0.69 C ATOM 0 H LEU A 52 -3.367 2.580 5.620 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.879 4.488 4.179 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.305 1.528 3.851 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.165 2.479 2.657 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.357 3.108 3.605 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.608 2.152 1.470 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.402 0.933 2.496 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.276 1.642 1.117 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.303 4.507 1.563 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -3.994 4.067 1.224 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.596 5.020 2.674 1.00 0.69 H new ATOM 780 N GLU A 53 -6.557 2.070 5.649 1.00 0.29 N ATOM 781 CA GLU A 53 -7.869 1.680 6.150 1.00 0.32 C ATOM 782 C GLU A 53 -8.471 2.808 6.968 1.00 0.35 C ATOM 783 O GLU A 53 -9.608 3.230 6.728 1.00 0.42 O ATOM 784 CB GLU A 53 -7.766 0.440 7.042 1.00 0.32 C ATOM 785 CG GLU A 53 -7.256 -0.802 6.359 1.00 0.34 C ATOM 786 CD GLU A 53 -7.196 -1.972 7.302 1.00 0.40 C ATOM 787 OE1 GLU A 53 -8.175 -2.712 7.422 1.00 0.48 O ATOM 788 OE2 GLU A 53 -6.148 -2.177 7.946 1.00 0.46 O ATOM 0 H GLU A 53 -5.807 1.434 5.919 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.500 1.458 5.290 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.109 0.669 7.881 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.751 0.228 7.457 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.904 -1.046 5.517 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.263 -0.612 5.952 1.00 0.34 H new ATOM 795 N SER A 54 -7.673 3.316 7.890 1.00 0.35 N ATOM 796 CA SER A 54 -8.087 4.358 8.799 1.00 0.41 C ATOM 797 C SER A 54 -8.452 5.645 8.031 1.00 0.45 C ATOM 798 O SER A 54 -9.567 6.155 8.151 1.00 0.55 O ATOM 799 CB SER A 54 -6.947 4.624 9.817 1.00 0.47 C ATOM 800 OG SER A 54 -7.336 5.502 10.865 1.00 1.19 O ATOM 0 H SER A 54 -6.710 3.010 8.026 1.00 0.35 H new ATOM 0 HA SER A 54 -8.980 4.035 9.335 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.621 3.676 10.246 1.00 0.47 H new ATOM 0 HB3 SER A 54 -6.090 5.048 9.293 1.00 0.47 H new ATOM 0 HG SER A 54 -6.583 5.634 11.478 1.00 1.19 H new ATOM 806 N ARG A 55 -7.526 6.125 7.219 1.00 0.44 N ATOM 807 CA ARG A 55 -7.682 7.391 6.507 1.00 0.54 C ATOM 808 C ARG A 55 -8.820 7.376 5.484 1.00 0.56 C ATOM 809 O ARG A 55 -9.534 8.362 5.339 1.00 0.68 O ATOM 810 CB ARG A 55 -6.357 7.792 5.835 1.00 0.63 C ATOM 811 CG ARG A 55 -6.404 9.100 5.044 1.00 0.83 C ATOM 812 CD ARG A 55 -5.038 9.447 4.470 1.00 1.08 C ATOM 813 NE ARG A 55 -4.048 9.668 5.527 1.00 1.65 N ATOM 814 CZ ARG A 55 -2.714 9.639 5.381 1.00 2.21 C ATOM 815 NH1 ARG A 55 -2.158 9.443 4.194 1.00 2.35 N ATOM 816 NH2 ARG A 55 -1.935 9.853 6.428 1.00 3.07 N ATOM 0 H ARG A 55 -6.642 5.651 7.032 1.00 0.44 H new ATOM 0 HA ARG A 55 -7.953 8.136 7.255 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.588 7.877 6.603 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.050 6.990 5.164 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.129 9.013 4.235 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -6.745 9.908 5.692 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -4.701 8.641 3.818 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -5.119 10.342 3.854 1.00 1.08 H new ATOM 0 HE ARG A 55 -4.406 9.862 6.462 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -2.746 9.311 3.371 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -1.142 9.424 4.103 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -2.348 10.039 7.342 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -0.921 9.832 6.322 1.00 3.07 H new ATOM 830 N TYR A 56 -9.004 6.277 4.794 1.00 0.50 N ATOM 831 CA TYR A 56 -9.975 6.253 3.713 1.00 0.57 C ATOM 832 C TYR A 56 -11.320 5.652 4.087 1.00 0.61 C ATOM 833 O TYR A 56 -12.282 5.764 3.321 1.00 0.74 O ATOM 834 CB TYR A 56 -9.378 5.624 2.453 1.00 0.62 C ATOM 835 CG TYR A 56 -8.208 6.430 1.931 1.00 0.67 C ATOM 836 CD1 TYR A 56 -8.413 7.513 1.093 1.00 0.75 C ATOM 837 CD2 TYR A 56 -6.905 6.133 2.310 1.00 0.74 C ATOM 838 CE1 TYR A 56 -7.360 8.279 0.645 1.00 0.85 C ATOM 839 CE2 TYR A 56 -5.847 6.890 1.864 1.00 0.85 C ATOM 840 CZ TYR A 56 -6.078 7.963 1.034 1.00 0.91 C ATOM 841 OH TYR A 56 -5.024 8.727 0.597 1.00 1.01 O ATOM 0 H TYR A 56 -8.508 5.400 4.952 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.204 7.296 3.494 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.052 4.607 2.672 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.145 5.553 1.682 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -9.418 7.762 0.785 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -6.720 5.295 2.965 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -7.539 9.121 -0.007 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.839 6.643 2.164 1.00 0.85 H new ATOM 0 HH TYR A 56 -4.188 8.371 0.963 1.00 1.01 H new ATOM 851 N GLY A 57 -11.407 5.052 5.255 1.00 0.58 N ATOM 852 CA GLY A 57 -12.666 4.474 5.689 1.00 0.66 C ATOM 853 C GLY A 57 -12.963 3.176 4.975 1.00 0.71 C ATOM 854 O GLY A 57 -14.048 2.984 4.406 1.00 0.93 O ATOM 0 H GLY A 57 -10.635 4.951 5.914 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.634 4.298 6.764 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.474 5.183 5.506 1.00 0.66 H new ATOM 858 N VAL A 58 -12.005 2.303 4.980 1.00 0.60 N ATOM 859 CA VAL A 58 -12.127 1.019 4.336 1.00 0.65 C ATOM 860 C VAL A 58 -11.405 0.004 5.224 1.00 0.60 C ATOM 861 O VAL A 58 -10.828 0.405 6.234 1.00 0.70 O ATOM 862 CB VAL A 58 -11.524 1.062 2.882 1.00 0.69 C ATOM 863 CG1 VAL A 58 -10.010 1.269 2.888 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.926 -0.144 2.037 1.00 1.16 C ATOM 0 H VAL A 58 -11.105 2.457 5.434 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.173 0.736 4.220 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.965 1.936 2.403 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.642 1.291 1.862 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.774 2.213 3.379 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.533 0.450 3.427 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.481 -0.058 1.046 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.573 -1.058 2.516 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -13.012 -0.178 1.945 1.00 1.16 H new ATOM 874 N SER A 59 -11.445 -1.264 4.906 1.00 0.62 N ATOM 875 CA SER A 59 -10.693 -2.213 5.663 1.00 0.67 C ATOM 876 C SER A 59 -10.120 -3.277 4.734 1.00 0.59 C ATOM 877 O SER A 59 -10.782 -3.727 3.787 1.00 0.72 O ATOM 878 CB SER A 59 -11.529 -2.827 6.800 1.00 0.92 C ATOM 879 OG SER A 59 -10.704 -3.549 7.722 1.00 1.87 O ATOM 0 H SER A 59 -11.986 -1.654 4.135 1.00 0.62 H new ATOM 0 HA SER A 59 -9.862 -1.695 6.143 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.063 -2.037 7.328 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.281 -3.496 6.381 1.00 0.92 H new ATOM 0 HG SER A 59 -9.835 -3.103 7.801 1.00 1.87 H new ATOM 885 N ILE A 60 -8.904 -3.643 5.001 1.00 0.48 N ATOM 886 CA ILE A 60 -8.150 -4.587 4.222 1.00 0.45 C ATOM 887 C ILE A 60 -7.905 -5.819 5.082 1.00 0.51 C ATOM 888 O ILE A 60 -7.479 -5.679 6.236 1.00 0.57 O ATOM 889 CB ILE A 60 -6.769 -3.974 3.847 1.00 0.40 C ATOM 890 CG1 ILE A 60 -6.950 -2.644 3.102 1.00 0.40 C ATOM 891 CG2 ILE A 60 -5.940 -4.948 3.007 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.660 -1.888 2.900 1.00 0.41 C ATOM 0 H ILE A 60 -8.385 -3.279 5.800 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.699 -4.840 3.315 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.228 -3.783 4.774 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.403 -2.840 2.130 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.646 -2.017 3.658 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.981 -4.491 2.761 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.771 -5.864 3.573 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.476 -5.183 2.088 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -5.862 -0.959 2.367 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.216 -1.661 3.869 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -4.969 -2.497 2.317 1.00 0.41 H new ATOM 904 N PRO A 61 -8.202 -7.024 4.576 1.00 0.58 N ATOM 905 CA PRO A 61 -7.914 -8.262 5.301 1.00 0.66 C ATOM 906 C PRO A 61 -6.405 -8.402 5.505 1.00 0.56 C ATOM 907 O PRO A 61 -5.648 -8.537 4.526 1.00 0.44 O ATOM 908 CB PRO A 61 -8.431 -9.368 4.368 1.00 0.78 C ATOM 909 CG PRO A 61 -9.362 -8.683 3.427 1.00 0.87 C ATOM 910 CD PRO A 61 -8.854 -7.280 3.281 1.00 0.66 C ATOM 0 HA PRO A 61 -8.376 -8.297 6.288 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.611 -9.846 3.832 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -8.943 -10.149 4.930 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.384 -9.191 2.463 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.381 -8.690 3.814 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.152 -7.190 2.452 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.664 -6.576 3.091 1.00 0.66 H new ATOM 918 N ASP A 62 -5.981 -8.339 6.763 1.00 0.67 N ATOM 919 CA ASP A 62 -4.557 -8.378 7.148 1.00 0.67 C ATOM 920 C ASP A 62 -3.826 -9.610 6.611 1.00 0.54 C ATOM 921 O ASP A 62 -2.636 -9.542 6.298 1.00 0.52 O ATOM 922 CB ASP A 62 -4.337 -8.214 8.676 1.00 0.90 C ATOM 923 CG ASP A 62 -4.803 -9.382 9.525 1.00 1.18 C ATOM 924 OD1 ASP A 62 -5.977 -9.405 9.944 1.00 1.29 O ATOM 925 OD2 ASP A 62 -3.988 -10.283 9.827 1.00 1.83 O ATOM 0 H ASP A 62 -6.615 -8.259 7.558 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.110 -7.508 6.667 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -3.274 -8.054 8.859 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -4.856 -7.315 9.007 1.00 0.90 H new ATOM 930 N ASP A 63 -4.548 -10.714 6.442 1.00 0.56 N ATOM 931 CA ASP A 63 -3.948 -11.942 5.903 1.00 0.55 C ATOM 932 C ASP A 63 -3.588 -11.741 4.447 1.00 0.44 C ATOM 933 O ASP A 63 -2.508 -12.130 4.001 1.00 0.46 O ATOM 934 CB ASP A 63 -4.883 -13.168 6.027 1.00 0.75 C ATOM 935 CG ASP A 63 -5.108 -13.649 7.448 1.00 1.54 C ATOM 936 OD1 ASP A 63 -4.264 -14.380 7.983 1.00 1.84 O ATOM 937 OD2 ASP A 63 -6.171 -13.331 8.052 1.00 2.34 O ATOM 0 H ASP A 63 -5.540 -10.789 6.666 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.056 -12.145 6.496 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.848 -12.919 5.585 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -4.466 -13.987 5.442 1.00 0.75 H new ATOM 942 N VAL A 64 -4.469 -11.079 3.720 1.00 0.41 N ATOM 943 CA VAL A 64 -4.256 -10.814 2.306 1.00 0.40 C ATOM 944 C VAL A 64 -3.223 -9.701 2.155 1.00 0.34 C ATOM 945 O VAL A 64 -2.395 -9.721 1.241 1.00 0.41 O ATOM 946 CB VAL A 64 -5.580 -10.432 1.581 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.357 -10.246 0.085 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.648 -11.490 1.823 1.00 0.66 C ATOM 0 H VAL A 64 -5.347 -10.712 4.088 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.888 -11.726 1.837 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.922 -9.484 1.995 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.300 -9.980 -0.393 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.630 -9.450 -0.078 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -4.981 -11.174 -0.345 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.566 -11.205 1.308 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.301 -12.451 1.442 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.842 -11.573 2.892 1.00 0.66 H new ATOM 958 N ALA A 65 -3.254 -8.757 3.087 1.00 0.33 N ATOM 959 CA ALA A 65 -2.285 -7.665 3.140 1.00 0.39 C ATOM 960 C ALA A 65 -0.858 -8.204 3.283 1.00 0.41 C ATOM 961 O ALA A 65 0.089 -7.576 2.862 1.00 0.51 O ATOM 962 CB ALA A 65 -2.616 -6.708 4.278 1.00 0.46 C ATOM 0 H ALA A 65 -3.952 -8.725 3.830 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.344 -7.115 2.201 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.883 -5.902 4.300 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.611 -6.290 4.124 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.592 -7.247 5.225 1.00 0.46 H new ATOM 968 N GLY A 66 -0.727 -9.379 3.870 1.00 0.40 N ATOM 969 CA GLY A 66 0.571 -9.985 4.015 1.00 0.48 C ATOM 970 C GLY A 66 0.925 -10.906 2.853 1.00 0.48 C ATOM 971 O GLY A 66 2.043 -11.440 2.791 1.00 0.61 O ATOM 0 H GLY A 66 -1.501 -9.925 4.250 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.326 -9.202 4.096 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.600 -10.553 4.945 1.00 0.48 H new ATOM 975 N ARG A 67 -0.007 -11.088 1.927 1.00 0.43 N ATOM 976 CA ARG A 67 0.196 -11.990 0.793 1.00 0.48 C ATOM 977 C ARG A 67 0.552 -11.197 -0.482 1.00 0.36 C ATOM 978 O ARG A 67 1.016 -11.762 -1.485 1.00 0.40 O ATOM 979 CB ARG A 67 -1.061 -12.847 0.549 1.00 0.64 C ATOM 980 CG ARG A 67 -0.872 -13.907 -0.525 1.00 1.16 C ATOM 981 CD ARG A 67 -2.151 -14.645 -0.849 1.00 1.45 C ATOM 982 NE ARG A 67 -1.921 -15.666 -1.875 1.00 2.16 N ATOM 983 CZ ARG A 67 -2.830 -16.541 -2.311 1.00 3.05 C ATOM 984 NH1 ARG A 67 -4.121 -16.366 -2.041 1.00 3.43 N ATOM 985 NH2 ARG A 67 -2.457 -17.548 -3.081 1.00 3.98 N ATOM 0 H ARG A 67 -0.915 -10.623 1.936 1.00 0.43 H new ATOM 0 HA ARG A 67 1.029 -12.651 1.034 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.347 -13.333 1.482 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.886 -12.195 0.264 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -0.490 -13.436 -1.431 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.118 -14.622 -0.195 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -2.544 -15.113 0.054 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -2.905 -13.939 -1.196 1.00 1.45 H new ATOM 0 HE ARG A 67 -0.990 -15.712 -2.290 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -4.423 -15.558 -1.497 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -4.808 -17.040 -2.378 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -1.477 -17.655 -3.341 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -3.150 -18.218 -3.415 1.00 3.98 H new ATOM 999 N VAL A 68 0.336 -9.910 -0.451 1.00 0.33 N ATOM 1000 CA VAL A 68 0.636 -9.075 -1.602 1.00 0.34 C ATOM 1001 C VAL A 68 2.147 -8.847 -1.701 1.00 0.35 C ATOM 1002 O VAL A 68 2.793 -8.464 -0.733 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.158 -7.729 -1.573 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.646 -7.996 -1.758 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.059 -6.980 -0.271 1.00 0.41 C ATOM 0 H VAL A 68 -0.045 -9.410 0.352 1.00 0.33 H new ATOM 0 HA VAL A 68 0.308 -9.599 -2.500 1.00 0.34 H new ATOM 0 HB VAL A 68 0.213 -7.111 -2.390 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.190 -7.052 -1.736 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.811 -8.488 -2.717 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.003 -8.639 -0.954 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.509 -6.050 -0.288 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.277 -7.596 0.563 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.119 -6.756 -0.152 1.00 0.41 H new ATOM 1015 N ASP A 69 2.706 -9.189 -2.840 1.00 0.36 N ATOM 1016 CA ASP A 69 4.159 -9.113 -3.040 1.00 0.40 C ATOM 1017 C ASP A 69 4.569 -7.799 -3.623 1.00 0.32 C ATOM 1018 O ASP A 69 5.646 -7.269 -3.318 1.00 0.32 O ATOM 1019 CB ASP A 69 4.633 -10.252 -3.939 1.00 0.57 C ATOM 1020 CG ASP A 69 6.122 -10.248 -4.199 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.900 -10.350 -3.243 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.528 -10.055 -5.363 1.00 1.91 O ATOM 0 H ASP A 69 2.186 -9.525 -3.651 1.00 0.36 H new ATOM 0 HA ASP A 69 4.629 -9.207 -2.061 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.357 -11.202 -3.482 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.107 -10.192 -4.892 1.00 0.57 H new ATOM 1027 N THR A 70 3.723 -7.260 -4.436 1.00 0.32 N ATOM 1028 CA THR A 70 4.011 -6.036 -5.092 1.00 0.31 C ATOM 1029 C THR A 70 2.901 -5.029 -4.830 1.00 0.27 C ATOM 1030 O THR A 70 1.738 -5.420 -4.562 1.00 0.29 O ATOM 1031 CB THR A 70 4.176 -6.269 -6.613 1.00 0.41 C ATOM 1032 OG1 THR A 70 3.019 -6.951 -7.135 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.427 -7.086 -6.903 1.00 0.47 C ATOM 0 H THR A 70 2.812 -7.659 -4.662 1.00 0.32 H new ATOM 0 HA THR A 70 4.946 -5.638 -4.698 1.00 0.31 H new ATOM 0 HB THR A 70 4.275 -5.298 -7.099 1.00 0.41 H new ATOM 0 HG1 THR A 70 3.130 -7.093 -8.098 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.522 -7.237 -7.978 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.303 -6.554 -6.533 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.353 -8.053 -6.406 1.00 0.47 H new ATOM 1041 N PRO A 71 3.230 -3.717 -4.858 1.00 0.25 N ATOM 1042 CA PRO A 71 2.261 -2.639 -4.697 1.00 0.24 C ATOM 1043 C PRO A 71 1.165 -2.743 -5.712 1.00 0.21 C ATOM 1044 O PRO A 71 0.081 -2.285 -5.478 1.00 0.25 O ATOM 1045 CB PRO A 71 3.085 -1.376 -4.909 1.00 0.29 C ATOM 1046 CG PRO A 71 4.457 -1.784 -4.547 1.00 0.32 C ATOM 1047 CD PRO A 71 4.587 -3.193 -5.003 1.00 0.30 C ATOM 0 HA PRO A 71 1.765 -2.661 -3.726 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.030 -1.031 -5.942 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.732 -0.558 -4.281 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.196 -1.146 -5.030 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.620 -1.703 -3.472 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.933 -3.252 -6.035 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.301 -3.749 -4.395 1.00 0.30 H new ATOM 1055 N ARG A 72 1.481 -3.357 -6.840 1.00 0.22 N ATOM 1056 CA ARG A 72 0.527 -3.664 -7.886 1.00 0.26 C ATOM 1057 C ARG A 72 -0.687 -4.393 -7.291 1.00 0.25 C ATOM 1058 O ARG A 72 -1.820 -3.920 -7.392 1.00 0.29 O ATOM 1059 CB ARG A 72 1.205 -4.566 -8.903 1.00 0.40 C ATOM 1060 CG ARG A 72 0.342 -4.969 -10.070 1.00 0.92 C ATOM 1061 CD ARG A 72 1.009 -6.065 -10.870 1.00 0.95 C ATOM 1062 NE ARG A 72 2.322 -5.674 -11.394 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.424 -6.443 -11.386 1.00 0.93 C ATOM 1064 NH1 ARG A 72 3.429 -7.625 -10.748 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.519 -6.012 -11.994 1.00 1.29 N ATOM 0 H ARG A 72 2.430 -3.662 -7.056 1.00 0.22 H new ATOM 0 HA ARG A 72 0.189 -2.742 -8.359 1.00 0.26 H new ATOM 0 HB2 ARG A 72 2.091 -4.058 -9.284 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.548 -5.468 -8.395 1.00 0.40 H new ATOM 0 HG2 ARG A 72 -0.628 -5.312 -9.711 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.158 -4.105 -10.709 1.00 0.92 H new ATOM 0 HD2 ARG A 72 1.123 -6.948 -10.241 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.362 -6.346 -11.701 1.00 0.95 H new ATOM 0 HE ARG A 72 2.406 -4.741 -11.798 1.00 0.67 H new ATOM 0 HH11 ARG A 72 2.591 -7.947 -10.263 1.00 1.48 H new ATOM 0 HH12 ARG A 72 4.271 -8.201 -10.748 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.520 -5.105 -12.461 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.362 -6.587 -11.995 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.412 -5.524 -6.630 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.447 -6.361 -6.030 1.00 0.28 C ATOM 1081 C GLU A 73 -2.161 -5.623 -4.921 1.00 0.26 C ATOM 1082 O GLU A 73 -3.381 -5.706 -4.786 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.853 -7.631 -5.441 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.126 -8.526 -6.410 1.00 0.44 C ATOM 1085 CD GLU A 73 0.300 -9.802 -5.741 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -0.491 -10.763 -5.727 1.00 1.24 O ATOM 1087 OE2 GLU A 73 1.420 -9.860 -5.177 1.00 2.13 O ATOM 0 H GLU A 73 0.535 -5.881 -6.499 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.149 -6.614 -6.825 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.162 -7.351 -4.646 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.656 -8.205 -4.978 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -0.773 -8.753 -7.258 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.748 -8.008 -6.805 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.393 -4.905 -4.135 1.00 0.26 N ATOM 1095 CA LEU A 74 -1.913 -4.184 -2.995 1.00 0.28 C ATOM 1096 C LEU A 74 -2.824 -3.029 -3.451 1.00 0.26 C ATOM 1097 O LEU A 74 -3.930 -2.871 -2.933 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.720 -3.739 -2.086 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.011 -3.005 -0.752 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.318 -1.555 -0.975 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.141 -3.687 0.019 1.00 0.90 C ATOM 0 H LEU A 74 -0.387 -4.804 -4.268 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.551 -4.828 -2.390 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.140 -4.631 -1.849 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.079 -3.091 -2.683 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.106 -3.062 -0.148 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.517 -1.074 -0.017 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.466 -1.072 -1.454 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.195 -1.463 -1.616 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.322 -3.150 0.950 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.048 -3.682 -0.585 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.859 -4.716 0.243 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.367 -2.266 -4.433 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.134 -1.172 -5.020 1.00 0.23 C ATOM 1115 C LEU A 75 -4.447 -1.719 -5.554 1.00 0.24 C ATOM 1116 O LEU A 75 -5.521 -1.246 -5.192 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.331 -0.521 -6.160 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.944 0.720 -6.794 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -3.029 1.837 -5.773 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.135 1.155 -8.003 1.00 0.34 C ATOM 0 H LEU A 75 -1.444 -2.388 -4.850 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.336 -0.416 -4.261 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.345 -0.258 -5.777 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.181 -1.266 -6.942 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.953 0.481 -7.131 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.469 2.720 -6.236 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.650 1.518 -4.936 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -2.029 2.077 -5.412 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.588 2.043 -8.443 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.114 1.383 -7.695 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.121 0.352 -8.740 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.324 -2.760 -6.366 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.449 -3.492 -6.970 1.00 0.25 C ATOM 1134 C ASP A 76 -6.463 -3.936 -5.908 1.00 0.27 C ATOM 1135 O ASP A 76 -7.680 -3.757 -6.077 1.00 0.30 O ATOM 1136 CB ASP A 76 -4.883 -4.705 -7.730 1.00 0.33 C ATOM 1137 CG ASP A 76 -5.916 -5.689 -8.214 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -6.515 -5.478 -9.281 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.099 -6.732 -7.555 1.00 0.57 O ATOM 0 H ASP A 76 -3.415 -3.136 -6.636 1.00 0.22 H new ATOM 0 HA ASP A 76 -5.982 -2.836 -7.659 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.315 -4.345 -8.588 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.181 -5.227 -7.080 1.00 0.33 H new ATOM 1144 N LEU A 77 -5.945 -4.466 -4.807 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.744 -4.934 -3.680 1.00 0.36 C ATOM 1146 C LEU A 77 -7.534 -3.788 -3.049 1.00 0.34 C ATOM 1147 O LEU A 77 -8.754 -3.881 -2.874 1.00 0.38 O ATOM 1148 CB LEU A 77 -5.828 -5.580 -2.626 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.494 -6.095 -1.346 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.480 -7.213 -1.653 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -5.440 -6.561 -0.358 1.00 1.96 C ATOM 0 H LEU A 77 -4.941 -4.585 -4.669 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.455 -5.673 -4.049 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.307 -6.414 -3.096 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.070 -4.850 -2.343 1.00 0.47 H new ATOM 0 HG LEU A 77 -7.054 -5.275 -0.897 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.938 -7.559 -0.726 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -8.255 -6.841 -2.323 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -6.955 -8.041 -2.130 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -5.926 -6.925 0.548 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -4.854 -7.365 -0.803 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -4.783 -5.728 -0.108 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.840 -2.706 -2.731 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.469 -1.555 -2.096 1.00 0.34 C ATOM 1165 C ILE A 78 -8.453 -0.905 -3.051 1.00 0.31 C ATOM 1166 O ILE A 78 -9.529 -0.509 -2.651 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.430 -0.516 -1.619 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.420 -1.192 -0.700 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.124 0.632 -0.882 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.325 -0.283 -0.218 1.00 0.55 C ATOM 0 H ILE A 78 -5.840 -2.600 -2.902 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.000 -1.917 -1.215 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.912 -0.107 -2.486 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -5.946 -1.599 0.163 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -4.972 -2.035 -1.227 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.379 1.356 -0.552 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.832 1.120 -1.552 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.656 0.239 -0.016 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.649 -0.840 0.430 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.771 0.105 -1.073 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.760 0.547 0.339 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.080 -0.829 -4.320 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.958 -0.284 -5.367 1.00 0.31 C ATOM 1184 C ASN A 79 -10.256 -1.068 -5.420 1.00 0.32 C ATOM 1185 O ASN A 79 -11.338 -0.489 -5.466 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.274 -0.317 -6.749 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.263 0.806 -7.015 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -7.046 1.176 -8.162 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.660 1.366 -5.988 1.00 0.52 N ATOM 0 H ASN A 79 -7.169 -1.138 -4.660 1.00 0.29 H new ATOM 0 HA ASN A 79 -9.169 0.755 -5.116 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.764 -1.274 -6.859 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -9.046 -0.276 -7.518 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.996 2.125 -6.139 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.857 1.041 -5.042 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.132 -2.385 -5.348 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.288 -3.251 -5.362 1.00 0.42 C ATOM 1198 C GLY A 80 -12.167 -3.041 -4.152 1.00 0.45 C ATOM 1199 O GLY A 80 -13.388 -2.951 -4.271 1.00 0.53 O ATOM 0 H GLY A 80 -9.239 -2.872 -5.279 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.867 -3.068 -6.267 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -10.962 -4.290 -5.397 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.537 -2.909 -2.996 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.251 -2.702 -1.746 1.00 0.52 C ATOM 1205 C ALA A 81 -12.909 -1.321 -1.720 1.00 0.51 C ATOM 1206 O ALA A 81 -14.021 -1.166 -1.230 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.307 -2.873 -0.563 1.00 0.59 C ATOM 0 H ALA A 81 -10.522 -2.942 -2.897 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.039 -3.452 -1.670 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.855 -2.715 0.366 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -10.891 -3.880 -0.572 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.498 -2.146 -0.635 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.224 -0.328 -2.267 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.750 1.023 -2.372 1.00 0.56 C ATOM 1215 C LEU A 82 -13.947 1.069 -3.303 1.00 0.59 C ATOM 1216 O LEU A 82 -14.891 1.808 -3.070 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.660 1.996 -2.836 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.566 2.323 -1.814 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -9.525 3.237 -2.430 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -11.166 2.975 -0.577 1.00 1.10 C ATOM 0 H LEU A 82 -11.286 -0.438 -2.651 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.083 1.333 -1.382 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -11.185 1.580 -3.725 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -12.138 2.928 -3.136 1.00 0.63 H new ATOM 0 HG LEU A 82 -10.085 1.391 -1.517 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.755 3.460 -1.692 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -9.072 2.744 -3.290 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.999 4.164 -2.751 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -10.373 3.200 0.137 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.671 3.898 -0.861 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.884 2.295 -0.119 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.893 0.275 -4.358 1.00 0.57 N ATOM 1233 CA ALA A 83 -15.002 0.156 -5.288 1.00 0.67 C ATOM 1234 C ALA A 83 -16.222 -0.460 -4.596 1.00 0.72 C ATOM 1235 O ALA A 83 -17.368 -0.097 -4.886 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.593 -0.656 -6.506 1.00 0.76 C ATOM 0 H ALA A 83 -13.085 -0.302 -4.593 1.00 0.57 H new ATOM 0 HA ALA A 83 -15.278 1.154 -5.628 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.437 -0.734 -7.191 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.761 -0.163 -7.009 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.287 -1.654 -6.192 1.00 0.76 H new