USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 45 LYS NZ :NH3+ -147:sc= -0.387! (180deg=-2.56!) USER MOD Set 1.2: A 49 GLN : amide:sc= -2.2! K(o=-2.6!,f=-7.9) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -128:sc= -2.92! (180deg=-5.9!) USER MOD Set 2.2: A 33 TYR OH : rot 5:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -2.91! (180deg=-3.6!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 148:sc= 2.07 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= -3.32! (180deg=-6.44!) USER MOD Single : A 25 SER OG : rot 83:sc= 0.572 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 32 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.8) USER MOD Single : A 34 GLN : amide:sc= -0.499 K(o=-0.5,f=-3!) USER MOD Single : A 35 TYR OH : rot 177:sc= 1.24 USER MOD Single : A 44 THR OG1 : rot 48:sc= 0.797 USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= -3.92! (180deg=-6.64!) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 1.74 (180deg=-1.45!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0723 USER MOD Single : A 61 GLN : amide:sc= -6.52! C(o=-6.5!,f=-17!) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.83!,f=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.577 F(o=-2.3!,f=-0.58) USER MOD Single : A 68 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 72 TYR OH : rot -130:sc= 1.2 USER MOD Single : A 73 THR OG1 : rot 63:sc= 0.466 USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= 0.385 (180deg=-1.76) USER MOD Single : A 82 ASN : amide:sc= 0.305 X(o=0.3,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.075 -2.547 7.755 1.00 2.29 N ATOM 2 CA MET A 1 -8.981 -2.816 6.298 1.00 1.52 C ATOM 3 C MET A 1 -7.631 -3.487 6.027 1.00 1.39 C ATOM 4 O MET A 1 -6.844 -3.661 6.947 1.00 1.54 O ATOM 5 CB MET A 1 -9.063 -1.507 5.500 1.00 1.52 C ATOM 6 CG MET A 1 -10.487 -0.943 5.560 1.00 2.26 C ATOM 7 SD MET A 1 -10.821 0.518 4.546 1.00 2.42 S ATOM 8 CE MET A 1 -10.234 1.771 5.714 1.00 2.03 C ATOM 0 H1 MET A 1 -10.074 -2.449 8.026 1.00 2.29 H new ATOM 0 H2 MET A 1 -8.649 -3.336 8.282 1.00 2.29 H new ATOM 0 H3 MET A 1 -8.567 -1.667 7.979 1.00 2.29 H new ATOM 0 HA MET A 1 -9.806 -3.459 5.991 1.00 1.52 H new ATOM 0 HB2 MET A 1 -8.358 -0.780 5.904 1.00 1.52 H new ATOM 0 HB3 MET A 1 -8.777 -1.685 4.463 1.00 1.52 H new ATOM 0 HG2 MET A 1 -11.179 -1.731 5.261 1.00 2.26 H new ATOM 0 HG3 MET A 1 -10.713 -0.697 6.598 1.00 2.26 H new ATOM 0 HE1 MET A 1 -10.354 2.762 5.275 1.00 2.03 H new ATOM 0 HE2 MET A 1 -10.813 1.710 6.635 1.00 2.03 H new ATOM 0 HE3 MET A 1 -9.181 1.597 5.935 1.00 2.03 H new ATOM 18 N GLN A 2 -7.388 -3.846 4.777 1.00 1.30 N ATOM 19 CA GLN A 2 -6.101 -4.497 4.419 1.00 1.25 C ATOM 20 C GLN A 2 -5.448 -3.759 3.240 1.00 1.17 C ATOM 21 O GLN A 2 -6.134 -3.120 2.455 1.00 1.74 O ATOM 22 CB GLN A 2 -6.358 -5.950 4.011 1.00 1.30 C ATOM 23 CG GLN A 2 -7.326 -6.617 4.992 1.00 2.34 C ATOM 24 CD GLN A 2 -7.236 -8.128 4.818 1.00 2.61 C ATOM 25 OE1 GLN A 2 -6.435 -8.780 5.449 1.00 3.02 O ATOM 26 NE2 GLN A 2 -8.011 -8.713 3.959 1.00 3.48 N ATOM 0 H GLN A 2 -8.034 -3.710 3.999 1.00 1.30 H new ATOM 0 HA GLN A 2 -5.437 -4.464 5.283 1.00 1.25 H new ATOM 0 HB2 GLN A 2 -6.771 -5.984 3.003 1.00 1.30 H new ATOM 0 HB3 GLN A 2 -5.417 -6.500 3.988 1.00 1.30 H new ATOM 0 HG2 GLN A 2 -7.077 -6.339 6.016 1.00 2.34 H new ATOM 0 HG3 GLN A 2 -8.345 -6.276 4.808 1.00 2.34 H new ATOM 0 HE21 GLN A 2 -8.687 -8.165 3.426 1.00 3.48 H new ATOM 0 HE22 GLN A 2 -7.945 -9.721 3.816 1.00 3.48 H new ATOM 35 N THR A 3 -4.150 -3.906 3.108 1.00 0.64 N ATOM 36 CA THR A 3 -3.431 -3.214 1.988 1.00 0.56 C ATOM 37 C THR A 3 -2.317 -4.094 1.383 1.00 0.55 C ATOM 38 O THR A 3 -1.600 -4.781 2.094 1.00 0.68 O ATOM 39 CB THR A 3 -2.829 -1.914 2.542 1.00 0.60 C ATOM 40 OG1 THR A 3 -3.944 -1.082 2.860 1.00 0.62 O ATOM 41 CG2 THR A 3 -2.043 -1.151 1.467 1.00 0.70 C ATOM 0 H THR A 3 -3.561 -4.470 3.721 1.00 0.64 H new ATOM 0 HA THR A 3 -4.141 -3.007 1.187 1.00 0.56 H new ATOM 0 HB THR A 3 -2.170 -2.147 3.378 1.00 0.60 H new ATOM 0 HG1 THR A 3 -3.723 -0.519 3.631 1.00 0.62 H new ATOM 0 HG21 THR A 3 -1.632 -0.237 1.896 1.00 0.70 H new ATOM 0 HG22 THR A 3 -1.230 -1.776 1.098 1.00 0.70 H new ATOM 0 HG23 THR A 3 -2.708 -0.897 0.642 1.00 0.70 H new ATOM 49 N VAL A 4 -2.181 -4.016 0.078 1.00 0.46 N ATOM 50 CA VAL A 4 -1.137 -4.803 -0.660 1.00 0.46 C ATOM 51 C VAL A 4 -0.455 -3.830 -1.616 1.00 0.47 C ATOM 52 O VAL A 4 -1.105 -2.974 -2.208 1.00 0.57 O ATOM 53 CB VAL A 4 -1.810 -5.945 -1.438 1.00 0.60 C ATOM 54 CG1 VAL A 4 -0.736 -6.891 -1.991 1.00 0.69 C ATOM 55 CG2 VAL A 4 -2.722 -6.746 -0.501 1.00 0.74 C ATOM 0 H VAL A 4 -2.762 -3.427 -0.519 1.00 0.46 H new ATOM 0 HA VAL A 4 -0.410 -5.247 0.020 1.00 0.46 H new ATOM 0 HB VAL A 4 -2.395 -5.519 -2.253 1.00 0.60 H new ATOM 0 HG11 VAL A 4 -1.214 -7.701 -2.543 1.00 0.69 H new ATOM 0 HG12 VAL A 4 -0.073 -6.339 -2.658 1.00 0.69 H new ATOM 0 HG13 VAL A 4 -0.157 -7.306 -1.166 1.00 0.69 H new ATOM 0 HG21 VAL A 4 -3.196 -7.554 -1.058 1.00 0.74 H new ATOM 0 HG22 VAL A 4 -2.130 -7.165 0.313 1.00 0.74 H new ATOM 0 HG23 VAL A 4 -3.489 -6.089 -0.091 1.00 0.74 H new ATOM 65 N ILE A 5 0.833 -3.951 -1.714 1.00 0.45 N ATOM 66 CA ILE A 5 1.591 -3.047 -2.612 1.00 0.56 C ATOM 67 C ILE A 5 2.377 -3.901 -3.601 1.00 0.53 C ATOM 68 O ILE A 5 3.132 -4.757 -3.186 1.00 0.56 O ATOM 69 CB ILE A 5 2.554 -2.195 -1.755 1.00 0.66 C ATOM 70 CG1 ILE A 5 1.775 -1.279 -0.783 1.00 0.96 C ATOM 71 CG2 ILE A 5 3.418 -1.326 -2.678 1.00 0.66 C ATOM 72 CD1 ILE A 5 1.394 -2.030 0.503 1.00 1.99 C ATOM 0 H ILE A 5 1.395 -4.637 -1.211 1.00 0.45 H new ATOM 0 HA ILE A 5 0.920 -2.385 -3.159 1.00 0.56 H new ATOM 0 HB ILE A 5 3.180 -2.869 -1.170 1.00 0.66 H new ATOM 0 HG12 ILE A 5 2.383 -0.409 -0.533 1.00 0.96 H new ATOM 0 HG13 ILE A 5 0.874 -0.909 -1.272 1.00 0.96 H new ATOM 0 HG21 ILE A 5 4.099 -0.723 -2.077 1.00 0.66 H new ATOM 0 HG22 ILE A 5 3.994 -1.966 -3.347 1.00 0.66 H new ATOM 0 HG23 ILE A 5 2.776 -0.671 -3.267 1.00 0.66 H new ATOM 0 HD11 ILE A 5 0.847 -1.360 1.167 1.00 1.99 H new ATOM 0 HD12 ILE A 5 0.766 -2.885 0.253 1.00 1.99 H new ATOM 0 HD13 ILE A 5 2.298 -2.378 1.003 1.00 1.99 H new ATOM 84 N PHE A 6 2.238 -3.618 -4.867 1.00 0.48 N ATOM 85 CA PHE A 6 2.966 -4.404 -5.901 1.00 0.48 C ATOM 86 C PHE A 6 4.219 -3.623 -6.267 1.00 0.49 C ATOM 87 O PHE A 6 4.422 -3.239 -7.406 1.00 0.78 O ATOM 88 CB PHE A 6 2.093 -4.583 -7.153 1.00 0.50 C ATOM 89 CG PHE A 6 1.010 -5.638 -6.916 1.00 0.56 C ATOM 90 CD1 PHE A 6 1.254 -6.964 -7.217 1.00 0.67 C ATOM 91 CD2 PHE A 6 -0.233 -5.279 -6.427 1.00 0.94 C ATOM 92 CE1 PHE A 6 0.271 -7.913 -7.036 1.00 0.81 C ATOM 93 CE2 PHE A 6 -1.216 -6.231 -6.246 1.00 1.07 C ATOM 94 CZ PHE A 6 -0.964 -7.549 -6.552 1.00 0.89 C ATOM 0 H PHE A 6 1.647 -2.871 -5.231 1.00 0.48 H new ATOM 0 HA PHE A 6 3.215 -5.393 -5.515 1.00 0.48 H new ATOM 0 HB2 PHE A 6 1.629 -3.633 -7.417 1.00 0.50 H new ATOM 0 HB3 PHE A 6 2.716 -4.879 -7.997 1.00 0.50 H new ATOM 0 HD1 PHE A 6 2.221 -7.259 -7.597 1.00 0.67 H new ATOM 0 HD2 PHE A 6 -0.436 -4.246 -6.185 1.00 0.94 H new ATOM 0 HE1 PHE A 6 0.471 -8.947 -7.275 1.00 0.81 H new ATOM 0 HE2 PHE A 6 -2.184 -5.941 -5.864 1.00 1.07 H new ATOM 0 HZ PHE A 6 -1.733 -8.294 -6.413 1.00 0.89 H new ATOM 104 N GLY A 7 5.039 -3.433 -5.281 1.00 0.88 N ATOM 105 CA GLY A 7 6.297 -2.680 -5.506 1.00 0.99 C ATOM 106 C GLY A 7 7.440 -3.670 -5.535 1.00 1.20 C ATOM 107 O GLY A 7 7.228 -4.837 -5.798 1.00 1.30 O ATOM 0 H GLY A 7 4.894 -3.766 -4.328 1.00 0.88 H new ATOM 0 HA2 GLY A 7 6.247 -2.129 -6.445 1.00 0.99 H new ATOM 0 HA3 GLY A 7 6.449 -1.947 -4.714 1.00 0.99 H new ATOM 111 N ARG A 8 8.618 -3.190 -5.291 1.00 1.39 N ATOM 112 CA ARG A 8 9.801 -4.094 -5.287 1.00 1.73 C ATOM 113 C ARG A 8 10.540 -3.877 -3.970 1.00 2.19 C ATOM 114 O ARG A 8 10.226 -2.947 -3.249 1.00 3.29 O ATOM 115 CB ARG A 8 10.685 -3.716 -6.477 1.00 1.86 C ATOM 116 CG ARG A 8 11.748 -4.790 -6.741 1.00 2.62 C ATOM 117 CD ARG A 8 12.474 -4.439 -8.045 1.00 2.58 C ATOM 118 NE ARG A 8 12.731 -2.966 -8.057 1.00 3.10 N ATOM 119 CZ ARG A 8 12.232 -2.230 -9.002 1.00 4.05 C ATOM 120 NH1 ARG A 8 12.679 -2.385 -10.208 1.00 4.79 N ATOM 121 NH2 ARG A 8 11.308 -1.376 -8.700 1.00 5.37 N ATOM 0 H ARG A 8 8.819 -2.210 -5.093 1.00 1.39 H new ATOM 0 HA ARG A 8 9.519 -5.143 -5.374 1.00 1.73 H new ATOM 0 HB2 ARG A 8 10.067 -3.586 -7.366 1.00 1.86 H new ATOM 0 HB3 ARG A 8 11.171 -2.760 -6.283 1.00 1.86 H new ATOM 0 HG2 ARG A 8 12.455 -4.836 -5.913 1.00 2.62 H new ATOM 0 HG3 ARG A 8 11.284 -5.773 -6.818 1.00 2.62 H new ATOM 0 HD2 ARG A 8 13.412 -4.989 -8.117 1.00 2.58 H new ATOM 0 HD3 ARG A 8 11.869 -4.726 -8.905 1.00 2.58 H new ATOM 0 HE ARG A 8 13.298 -2.540 -7.323 1.00 3.10 H new ATOM 0 HH11 ARG A 8 13.407 -3.074 -10.397 1.00 4.79 H new ATOM 0 HH12 ARG A 8 12.303 -1.818 -10.968 1.00 4.79 H new ATOM 0 HH21 ARG A 8 10.987 -1.292 -7.736 1.00 5.37 H new ATOM 0 HH22 ARG A 8 10.901 -0.787 -9.426 1.00 5.37 H new ATOM 135 N SER A 9 11.482 -4.723 -3.675 1.00 2.13 N ATOM 136 CA SER A 9 12.245 -4.559 -2.417 1.00 2.56 C ATOM 137 C SER A 9 12.782 -3.134 -2.369 1.00 2.87 C ATOM 138 O SER A 9 12.633 -2.446 -1.379 1.00 4.41 O ATOM 139 CB SER A 9 13.388 -5.589 -2.388 1.00 2.76 C ATOM 140 OG SER A 9 13.911 -5.635 -3.719 1.00 3.29 O ATOM 0 H SER A 9 11.755 -5.519 -4.251 1.00 2.13 H new ATOM 0 HA SER A 9 11.613 -4.728 -1.545 1.00 2.56 H new ATOM 0 HB2 SER A 9 14.159 -5.296 -1.676 1.00 2.76 H new ATOM 0 HB3 SER A 9 13.023 -6.568 -2.078 1.00 2.76 H new ATOM 0 HG SER A 9 14.649 -6.279 -3.759 1.00 3.29 H new ATOM 146 N GLY A 10 13.412 -2.727 -3.435 1.00 2.25 N ATOM 147 CA GLY A 10 13.948 -1.340 -3.493 1.00 2.67 C ATOM 148 C GLY A 10 13.944 -0.799 -4.928 1.00 2.23 C ATOM 149 O GLY A 10 13.791 -1.554 -5.880 1.00 3.20 O ATOM 0 H GLY A 10 13.578 -3.294 -4.267 1.00 2.25 H new ATOM 0 HA2 GLY A 10 13.349 -0.690 -2.856 1.00 2.67 H new ATOM 0 HA3 GLY A 10 14.964 -1.324 -3.099 1.00 2.67 H new ATOM 153 N CYS A 11 14.144 0.499 -5.026 1.00 2.03 N ATOM 154 CA CYS A 11 14.211 1.236 -6.338 1.00 2.03 C ATOM 155 C CYS A 11 14.147 2.750 -6.050 1.00 2.49 C ATOM 156 O CYS A 11 13.496 3.523 -6.728 1.00 3.70 O ATOM 157 CB CYS A 11 13.061 0.850 -7.300 1.00 1.86 C ATOM 158 SG CYS A 11 11.394 1.490 -6.997 1.00 2.46 S ATOM 0 H CYS A 11 14.269 1.103 -4.214 1.00 2.03 H new ATOM 0 HA CYS A 11 15.145 0.962 -6.830 1.00 2.03 H new ATOM 0 HB2 CYS A 11 13.354 1.163 -8.302 1.00 1.86 H new ATOM 0 HB3 CYS A 11 12.996 -0.238 -7.312 1.00 1.86 H new ATOM 163 N PRO A 12 14.873 3.149 -5.033 1.00 2.25 N ATOM 164 CA PRO A 12 14.318 3.407 -3.688 1.00 2.20 C ATOM 165 C PRO A 12 12.805 3.663 -3.709 1.00 2.03 C ATOM 166 O PRO A 12 12.079 3.054 -2.953 1.00 2.33 O ATOM 167 CB PRO A 12 15.122 4.620 -3.202 1.00 2.70 C ATOM 168 CG PRO A 12 16.387 4.710 -4.106 1.00 3.05 C ATOM 169 CD PRO A 12 16.274 3.597 -5.165 1.00 2.76 C ATOM 0 HA PRO A 12 14.413 2.549 -3.023 1.00 2.20 H new ATOM 0 HB2 PRO A 12 14.529 5.532 -3.275 1.00 2.70 H new ATOM 0 HB3 PRO A 12 15.402 4.504 -2.155 1.00 2.70 H new ATOM 0 HG2 PRO A 12 16.450 5.688 -4.582 1.00 3.05 H new ATOM 0 HG3 PRO A 12 17.293 4.585 -3.513 1.00 3.05 H new ATOM 0 HD2 PRO A 12 16.485 3.971 -6.167 1.00 2.76 H new ATOM 0 HD3 PRO A 12 16.976 2.786 -4.973 1.00 2.76 H new ATOM 177 N TYR A 13 12.396 4.531 -4.600 1.00 1.95 N ATOM 178 CA TYR A 13 10.949 4.919 -4.766 1.00 1.89 C ATOM 179 C TYR A 13 9.953 3.819 -4.338 1.00 1.60 C ATOM 180 O TYR A 13 8.944 4.106 -3.734 1.00 1.64 O ATOM 181 CB TYR A 13 10.714 5.279 -6.240 1.00 2.16 C ATOM 182 CG TYR A 13 9.645 6.380 -6.343 1.00 1.76 C ATOM 183 CD1 TYR A 13 8.337 6.143 -5.965 1.00 1.80 C ATOM 184 CD2 TYR A 13 9.984 7.635 -6.813 1.00 2.20 C ATOM 185 CE1 TYR A 13 7.387 7.142 -6.057 1.00 1.95 C ATOM 186 CE2 TYR A 13 9.033 8.632 -6.904 1.00 2.29 C ATOM 187 CZ TYR A 13 7.726 8.391 -6.530 1.00 2.02 C ATOM 188 OH TYR A 13 6.762 9.372 -6.645 1.00 2.51 O ATOM 0 H TYR A 13 13.025 5.007 -5.246 1.00 1.95 H new ATOM 0 HA TYR A 13 10.762 5.766 -4.106 1.00 1.89 H new ATOM 0 HB2 TYR A 13 11.645 5.619 -6.694 1.00 2.16 H new ATOM 0 HB3 TYR A 13 10.394 4.396 -6.793 1.00 2.16 H new ATOM 0 HD1 TYR A 13 8.055 5.169 -5.595 1.00 1.80 H new ATOM 0 HD2 TYR A 13 11.002 7.838 -7.112 1.00 2.20 H new ATOM 0 HE1 TYR A 13 6.369 6.942 -5.755 1.00 1.95 H new ATOM 0 HE2 TYR A 13 9.314 9.608 -7.271 1.00 2.29 H new ATOM 0 HH TYR A 13 7.170 10.192 -6.993 1.00 2.51 H new ATOM 198 N CYS A 14 10.244 2.592 -4.662 1.00 1.42 N ATOM 199 CA CYS A 14 9.315 1.479 -4.286 1.00 1.21 C ATOM 200 C CYS A 14 8.991 1.472 -2.787 1.00 0.83 C ATOM 201 O CYS A 14 7.848 1.358 -2.389 1.00 0.90 O ATOM 202 CB CYS A 14 9.986 0.165 -4.671 1.00 1.24 C ATOM 203 SG CYS A 14 10.267 -0.092 -6.432 1.00 1.86 S ATOM 0 H CYS A 14 11.081 2.306 -5.170 1.00 1.42 H new ATOM 0 HA CYS A 14 8.371 1.616 -4.813 1.00 1.21 H new ATOM 0 HB2 CYS A 14 10.946 0.106 -4.158 1.00 1.24 H new ATOM 0 HB3 CYS A 14 9.374 -0.656 -4.297 1.00 1.24 H new ATOM 208 N VAL A 15 10.000 1.634 -1.989 1.00 0.67 N ATOM 209 CA VAL A 15 9.805 1.622 -0.514 1.00 0.54 C ATOM 210 C VAL A 15 8.813 2.711 -0.079 1.00 0.55 C ATOM 211 O VAL A 15 8.065 2.530 0.856 1.00 0.69 O ATOM 212 CB VAL A 15 11.170 1.838 0.154 1.00 0.79 C ATOM 213 CG1 VAL A 15 10.996 1.893 1.680 1.00 1.00 C ATOM 214 CG2 VAL A 15 12.089 0.663 -0.215 1.00 1.03 C ATOM 0 H VAL A 15 10.963 1.776 -2.295 1.00 0.67 H new ATOM 0 HA VAL A 15 9.386 0.663 -0.209 1.00 0.54 H new ATOM 0 HB VAL A 15 11.606 2.776 -0.189 1.00 0.79 H new ATOM 0 HG11 VAL A 15 11.967 2.046 2.152 1.00 1.00 H new ATOM 0 HG12 VAL A 15 10.332 2.717 1.941 1.00 1.00 H new ATOM 0 HG13 VAL A 15 10.566 0.955 2.031 1.00 1.00 H new ATOM 0 HG21 VAL A 15 13.064 0.803 0.253 1.00 1.03 H new ATOM 0 HG22 VAL A 15 11.647 -0.269 0.138 1.00 1.03 H new ATOM 0 HG23 VAL A 15 12.209 0.621 -1.298 1.00 1.03 H new ATOM 224 N ARG A 16 8.831 3.823 -0.761 1.00 0.60 N ATOM 225 CA ARG A 16 7.898 4.926 -0.370 1.00 0.76 C ATOM 226 C ARG A 16 6.453 4.437 -0.239 1.00 0.87 C ATOM 227 O ARG A 16 5.806 4.672 0.772 1.00 1.25 O ATOM 228 CB ARG A 16 7.989 6.078 -1.375 1.00 0.87 C ATOM 229 CG ARG A 16 9.272 6.875 -1.079 1.00 1.37 C ATOM 230 CD ARG A 16 9.003 7.964 -0.014 1.00 1.78 C ATOM 231 NE ARG A 16 8.172 7.424 1.128 1.00 1.91 N ATOM 232 CZ ARG A 16 6.981 7.906 1.358 1.00 2.87 C ATOM 233 NH1 ARG A 16 6.791 9.176 1.261 1.00 4.00 N ATOM 234 NH2 ARG A 16 6.018 7.113 1.675 1.00 3.66 N ATOM 0 H ARG A 16 9.438 4.018 -1.558 1.00 0.60 H new ATOM 0 HA ARG A 16 8.206 5.285 0.612 1.00 0.76 H new ATOM 0 HB2 ARG A 16 8.008 5.692 -2.394 1.00 0.87 H new ATOM 0 HB3 ARG A 16 7.114 6.723 -1.294 1.00 0.87 H new ATOM 0 HG2 ARG A 16 10.053 6.200 -0.728 1.00 1.37 H new ATOM 0 HG3 ARG A 16 9.639 7.338 -1.995 1.00 1.37 H new ATOM 0 HD2 ARG A 16 9.951 8.342 0.370 1.00 1.78 H new ATOM 0 HD3 ARG A 16 8.487 8.807 -0.475 1.00 1.78 H new ATOM 0 HE ARG A 16 8.543 6.681 1.720 1.00 1.91 H new ATOM 0 HH11 ARG A 16 7.565 9.790 1.008 1.00 4.00 H new ATOM 0 HH12 ARG A 16 5.866 9.568 1.438 1.00 4.00 H new ATOM 0 HH21 ARG A 16 6.186 6.109 1.746 1.00 3.66 H new ATOM 0 HH22 ARG A 16 5.087 7.488 1.855 1.00 3.66 H new ATOM 248 N ALA A 17 5.981 3.769 -1.253 1.00 1.00 N ATOM 249 CA ALA A 17 4.579 3.252 -1.200 1.00 1.12 C ATOM 250 C ALA A 17 4.406 2.350 0.023 1.00 1.16 C ATOM 251 O ALA A 17 3.425 2.426 0.746 1.00 1.33 O ATOM 252 CB ALA A 17 4.299 2.452 -2.475 1.00 1.18 C ATOM 0 H ALA A 17 6.495 3.558 -2.108 1.00 1.00 H new ATOM 0 HA ALA A 17 3.881 4.086 -1.125 1.00 1.12 H new ATOM 0 HB1 ALA A 17 3.279 2.070 -2.448 1.00 1.18 H new ATOM 0 HB2 ALA A 17 4.421 3.098 -3.344 1.00 1.18 H new ATOM 0 HB3 ALA A 17 4.997 1.618 -2.542 1.00 1.18 H new ATOM 258 N LYS A 18 5.400 1.532 0.229 1.00 1.05 N ATOM 259 CA LYS A 18 5.404 0.568 1.350 1.00 1.14 C ATOM 260 C LYS A 18 5.389 1.224 2.738 1.00 1.08 C ATOM 261 O LYS A 18 4.580 0.865 3.571 1.00 1.29 O ATOM 262 CB LYS A 18 6.680 -0.232 1.179 1.00 1.14 C ATOM 263 CG LYS A 18 6.836 -1.251 2.291 1.00 1.47 C ATOM 264 CD LYS A 18 8.329 -1.520 2.429 1.00 2.22 C ATOM 265 CE LYS A 18 8.533 -2.480 3.594 1.00 2.70 C ATOM 266 NZ LYS A 18 7.913 -1.882 4.813 1.00 2.65 N ATOM 0 H LYS A 18 6.234 1.496 -0.357 1.00 1.05 H new ATOM 0 HA LYS A 18 4.497 -0.035 1.314 1.00 1.14 H new ATOM 0 HB2 LYS A 18 6.668 -0.740 0.215 1.00 1.14 H new ATOM 0 HB3 LYS A 18 7.537 0.441 1.175 1.00 1.14 H new ATOM 0 HG2 LYS A 18 6.423 -0.871 3.225 1.00 1.47 H new ATOM 0 HG3 LYS A 18 6.297 -2.168 2.054 1.00 1.47 H new ATOM 0 HD2 LYS A 18 8.725 -1.949 1.509 1.00 2.22 H new ATOM 0 HD3 LYS A 18 8.869 -0.589 2.604 1.00 2.22 H new ATOM 0 HE2 LYS A 18 8.079 -3.446 3.373 1.00 2.70 H new ATOM 0 HE3 LYS A 18 9.596 -2.657 3.757 1.00 2.70 H new ATOM 0 HZ1 LYS A 18 8.606 -1.877 5.588 1.00 2.65 H new ATOM 0 HZ2 LYS A 18 7.615 -0.907 4.608 1.00 2.65 H new ATOM 0 HZ3 LYS A 18 7.085 -2.445 5.093 1.00 2.65 H new ATOM 280 N ASP A 19 6.302 2.124 2.996 1.00 0.86 N ATOM 281 CA ASP A 19 6.318 2.742 4.343 1.00 0.94 C ATOM 282 C ASP A 19 4.951 3.329 4.695 1.00 0.88 C ATOM 283 O ASP A 19 4.584 3.322 5.835 1.00 0.85 O ATOM 284 CB ASP A 19 7.428 3.796 4.435 1.00 0.92 C ATOM 285 CG ASP A 19 7.143 5.020 3.581 1.00 2.04 C ATOM 286 OD1 ASP A 19 6.163 5.681 3.866 1.00 3.38 O ATOM 287 OD2 ASP A 19 7.954 5.276 2.727 1.00 2.82 O ATOM 0 H ASP A 19 7.019 2.448 2.346 1.00 0.86 H new ATOM 0 HA ASP A 19 6.533 1.965 5.077 1.00 0.94 H new ATOM 0 HB2 ASP A 19 7.548 4.102 5.474 1.00 0.92 H new ATOM 0 HB3 ASP A 19 8.373 3.352 4.123 1.00 0.92 H new ATOM 292 N LEU A 20 4.227 3.846 3.739 1.00 0.88 N ATOM 293 CA LEU A 20 2.872 4.401 4.091 1.00 0.83 C ATOM 294 C LEU A 20 2.001 3.290 4.718 1.00 0.82 C ATOM 295 O LEU A 20 1.352 3.503 5.711 1.00 0.95 O ATOM 296 CB LEU A 20 2.209 4.974 2.825 1.00 0.83 C ATOM 297 CG LEU A 20 0.852 5.655 3.137 1.00 0.76 C ATOM 298 CD1 LEU A 20 1.023 6.771 4.179 1.00 0.83 C ATOM 299 CD2 LEU A 20 0.292 6.274 1.846 1.00 0.94 C ATOM 0 H LEU A 20 4.496 3.911 2.757 1.00 0.88 H new ATOM 0 HA LEU A 20 2.978 5.204 4.820 1.00 0.83 H new ATOM 0 HB2 LEU A 20 2.879 5.697 2.361 1.00 0.83 H new ATOM 0 HB3 LEU A 20 2.055 4.173 2.102 1.00 0.83 H new ATOM 0 HG LEU A 20 0.172 4.901 3.534 1.00 0.76 H new ATOM 0 HD11 LEU A 20 0.056 7.232 4.380 1.00 0.83 H new ATOM 0 HD12 LEU A 20 1.423 6.349 5.101 1.00 0.83 H new ATOM 0 HD13 LEU A 20 1.712 7.524 3.796 1.00 0.83 H new ATOM 0 HD21 LEU A 20 -0.663 6.755 2.058 1.00 0.94 H new ATOM 0 HD22 LEU A 20 0.994 7.014 1.463 1.00 0.94 H new ATOM 0 HD23 LEU A 20 0.147 5.492 1.101 1.00 0.94 H new ATOM 311 N ALA A 21 2.056 2.111 4.148 1.00 0.70 N ATOM 312 CA ALA A 21 1.242 0.971 4.681 1.00 0.74 C ATOM 313 C ALA A 21 1.879 0.387 5.949 1.00 0.91 C ATOM 314 O ALA A 21 1.196 0.173 6.936 1.00 0.97 O ATOM 315 CB ALA A 21 1.137 -0.120 3.608 1.00 0.93 C ATOM 0 H ALA A 21 2.630 1.887 3.335 1.00 0.70 H new ATOM 0 HA ALA A 21 0.249 1.341 4.936 1.00 0.74 H new ATOM 0 HB1 ALA A 21 0.546 -0.952 3.991 1.00 0.93 H new ATOM 0 HB2 ALA A 21 0.656 0.289 2.720 1.00 0.93 H new ATOM 0 HB3 ALA A 21 2.135 -0.473 3.350 1.00 0.93 H new ATOM 321 N GLU A 22 3.162 0.131 5.904 1.00 1.10 N ATOM 322 CA GLU A 22 3.843 -0.428 7.114 1.00 1.36 C ATOM 323 C GLU A 22 3.656 0.568 8.259 1.00 1.33 C ATOM 324 O GLU A 22 3.384 0.208 9.390 1.00 1.39 O ATOM 325 CB GLU A 22 5.327 -0.620 6.791 1.00 1.72 C ATOM 326 CG GLU A 22 6.027 -1.353 7.942 1.00 1.80 C ATOM 327 CD GLU A 22 7.312 -1.995 7.419 1.00 2.17 C ATOM 328 OE1 GLU A 22 8.306 -1.302 7.397 1.00 2.14 O ATOM 329 OE2 GLU A 22 7.205 -3.117 6.958 1.00 3.31 O ATOM 0 H GLU A 22 3.762 0.282 5.093 1.00 1.10 H new ATOM 0 HA GLU A 22 3.423 -1.391 7.404 1.00 1.36 H new ATOM 0 HB2 GLU A 22 5.435 -1.189 5.868 1.00 1.72 H new ATOM 0 HB3 GLU A 22 5.799 0.348 6.626 1.00 1.72 H new ATOM 0 HG2 GLU A 22 6.256 -0.656 8.748 1.00 1.80 H new ATOM 0 HG3 GLU A 22 5.368 -2.115 8.358 1.00 1.80 H new ATOM 336 N LYS A 23 3.787 1.814 7.903 1.00 1.34 N ATOM 337 CA LYS A 23 3.608 2.896 8.898 1.00 1.40 C ATOM 338 C LYS A 23 2.160 2.835 9.359 1.00 1.25 C ATOM 339 O LYS A 23 1.934 2.687 10.526 1.00 1.43 O ATOM 340 CB LYS A 23 3.940 4.214 8.206 1.00 1.51 C ATOM 341 CG LYS A 23 3.974 5.395 9.171 1.00 1.60 C ATOM 342 CD LYS A 23 4.151 6.696 8.361 1.00 2.46 C ATOM 343 CE LYS A 23 5.513 6.733 7.627 1.00 4.46 C ATOM 344 NZ LYS A 23 5.572 5.787 6.461 1.00 6.15 N ATOM 0 H LYS A 23 4.012 2.127 6.959 1.00 1.34 H new ATOM 0 HA LYS A 23 4.257 2.797 9.768 1.00 1.40 H new ATOM 0 HB2 LYS A 23 4.908 4.126 7.712 1.00 1.51 H new ATOM 0 HB3 LYS A 23 3.201 4.407 7.428 1.00 1.51 H new ATOM 0 HG2 LYS A 23 3.052 5.435 9.751 1.00 1.60 H new ATOM 0 HG3 LYS A 23 4.793 5.278 9.881 1.00 1.60 H new ATOM 0 HD2 LYS A 23 3.344 6.785 7.634 1.00 2.46 H new ATOM 0 HD3 LYS A 23 4.074 7.554 9.029 1.00 2.46 H new ATOM 0 HE2 LYS A 23 5.704 7.747 7.276 1.00 4.46 H new ATOM 0 HE3 LYS A 23 6.307 6.484 8.331 1.00 4.46 H new ATOM 0 HZ1 LYS A 23 6.217 5.002 6.683 1.00 6.15 H new ATOM 0 HZ2 LYS A 23 4.621 5.411 6.271 1.00 6.15 H new ATOM 0 HZ3 LYS A 23 5.919 6.293 5.621 1.00 6.15 H new ATOM 358 N LEU A 24 1.220 2.911 8.437 1.00 0.99 N ATOM 359 CA LEU A 24 -0.228 2.821 8.833 1.00 0.88 C ATOM 360 C LEU A 24 -0.448 1.649 9.793 1.00 0.85 C ATOM 361 O LEU A 24 -1.105 1.799 10.799 1.00 0.90 O ATOM 362 CB LEU A 24 -1.088 2.633 7.581 1.00 0.79 C ATOM 363 CG LEU A 24 -1.238 3.982 6.870 1.00 0.86 C ATOM 364 CD1 LEU A 24 -1.693 3.742 5.430 1.00 0.92 C ATOM 365 CD2 LEU A 24 -2.299 4.818 7.593 1.00 1.16 C ATOM 0 H LEU A 24 1.391 3.030 7.439 1.00 0.99 H new ATOM 0 HA LEU A 24 -0.514 3.743 9.339 1.00 0.88 H new ATOM 0 HB2 LEU A 24 -0.627 1.905 6.914 1.00 0.79 H new ATOM 0 HB3 LEU A 24 -2.068 2.240 7.853 1.00 0.79 H new ATOM 0 HG LEU A 24 -0.283 4.508 6.876 1.00 0.86 H new ATOM 0 HD11 LEU A 24 -1.802 4.698 4.919 1.00 0.92 H new ATOM 0 HD12 LEU A 24 -0.952 3.135 4.911 1.00 0.92 H new ATOM 0 HD13 LEU A 24 -2.651 3.221 5.433 1.00 0.92 H new ATOM 0 HD21 LEU A 24 -2.409 5.779 7.091 1.00 1.16 H new ATOM 0 HD22 LEU A 24 -3.252 4.289 7.578 1.00 1.16 H new ATOM 0 HD23 LEU A 24 -1.992 4.982 8.626 1.00 1.16 H new ATOM 377 N SER A 25 0.099 0.517 9.433 1.00 0.84 N ATOM 378 CA SER A 25 -0.024 -0.731 10.279 1.00 0.92 C ATOM 379 C SER A 25 0.524 -0.535 11.701 1.00 1.22 C ATOM 380 O SER A 25 0.358 -1.387 12.552 1.00 1.62 O ATOM 381 CB SER A 25 0.788 -1.866 9.646 1.00 1.06 C ATOM 382 OG SER A 25 0.272 -2.003 8.333 1.00 1.71 O ATOM 0 H SER A 25 0.637 0.393 8.575 1.00 0.84 H new ATOM 0 HA SER A 25 -1.088 -0.964 10.330 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.851 -1.627 9.629 1.00 1.06 H new ATOM 0 HB3 SER A 25 0.678 -2.792 10.211 1.00 1.06 H new ATOM 0 HG SER A 25 0.694 -1.342 7.745 1.00 1.71 H new ATOM 388 N ASN A 26 1.206 0.550 11.906 1.00 1.18 N ATOM 389 CA ASN A 26 1.807 0.849 13.242 1.00 1.51 C ATOM 390 C ASN A 26 1.161 2.097 13.873 1.00 1.55 C ATOM 391 O ASN A 26 0.902 2.131 15.061 1.00 1.86 O ATOM 392 CB ASN A 26 3.303 1.096 13.017 1.00 1.74 C ATOM 393 CG ASN A 26 4.063 0.967 14.334 1.00 1.85 C ATOM 394 OD1 ASN A 26 4.073 -0.073 14.948 1.00 2.21 O ATOM 395 ND2 ASN A 26 4.737 1.976 14.798 1.00 2.94 N ATOM 0 H ASN A 26 1.379 1.260 11.194 1.00 1.18 H new ATOM 0 HA ASN A 26 1.640 0.015 13.924 1.00 1.51 H new ATOM 0 HB2 ASN A 26 3.692 0.380 12.293 1.00 1.74 H new ATOM 0 HB3 ASN A 26 3.456 2.090 12.597 1.00 1.74 H new ATOM 0 HD21 ASN A 26 5.263 1.882 15.667 1.00 2.94 H new ATOM 0 HD22 ASN A 26 4.741 2.862 14.293 1.00 2.94 H new ATOM 402 N GLU A 27 0.932 3.089 13.044 1.00 1.69 N ATOM 403 CA GLU A 27 0.319 4.382 13.500 1.00 1.87 C ATOM 404 C GLU A 27 -1.182 4.234 13.768 1.00 1.88 C ATOM 405 O GLU A 27 -1.708 4.812 14.704 1.00 2.25 O ATOM 406 CB GLU A 27 0.516 5.453 12.394 1.00 1.90 C ATOM 407 CG GLU A 27 -0.073 4.965 11.080 1.00 2.62 C ATOM 408 CD GLU A 27 0.088 6.009 9.962 1.00 2.97 C ATOM 409 OE1 GLU A 27 -0.593 7.013 10.052 1.00 3.05 O ATOM 410 OE2 GLU A 27 0.863 5.720 9.061 1.00 3.80 O ATOM 0 H GLU A 27 1.149 3.057 12.048 1.00 1.69 H new ATOM 0 HA GLU A 27 0.809 4.677 14.428 1.00 1.87 H new ATOM 0 HB2 GLU A 27 0.037 6.386 12.691 1.00 1.90 H new ATOM 0 HB3 GLU A 27 1.578 5.666 12.268 1.00 1.90 H new ATOM 0 HG2 GLU A 27 0.416 4.037 10.784 1.00 2.62 H new ATOM 0 HG3 GLU A 27 -1.130 4.739 11.217 1.00 2.62 H new ATOM 417 N ARG A 28 -1.837 3.455 12.942 1.00 1.66 N ATOM 418 CA ARG A 28 -3.312 3.273 13.092 1.00 1.72 C ATOM 419 C ARG A 28 -3.653 1.829 13.479 1.00 1.70 C ATOM 420 O ARG A 28 -2.790 1.047 13.834 1.00 2.41 O ATOM 421 CB ARG A 28 -3.985 3.612 11.745 1.00 1.70 C ATOM 422 CG ARG A 28 -5.339 4.316 11.978 1.00 1.72 C ATOM 423 CD ARG A 28 -6.264 4.109 10.765 1.00 1.90 C ATOM 424 NE ARG A 28 -6.671 2.662 10.703 1.00 3.63 N ATOM 425 CZ ARG A 28 -7.922 2.298 10.768 1.00 4.74 C ATOM 426 NH1 ARG A 28 -8.566 2.505 11.875 1.00 5.29 N ATOM 427 NH2 ARG A 28 -8.447 1.679 9.746 1.00 5.95 N ATOM 0 H ARG A 28 -1.413 2.938 12.171 1.00 1.66 H new ATOM 0 HA ARG A 28 -3.673 3.931 13.882 1.00 1.72 H new ATOM 0 HB2 ARG A 28 -3.331 4.255 11.157 1.00 1.70 H new ATOM 0 HB3 ARG A 28 -4.137 2.700 11.168 1.00 1.70 H new ATOM 0 HG2 ARG A 28 -5.812 3.921 12.877 1.00 1.72 H new ATOM 0 HG3 ARG A 28 -5.179 5.381 12.144 1.00 1.72 H new ATOM 0 HD2 ARG A 28 -7.145 4.745 10.850 1.00 1.90 H new ATOM 0 HD3 ARG A 28 -5.751 4.396 9.847 1.00 1.90 H new ATOM 0 HE ARG A 28 -5.950 1.947 10.608 1.00 3.63 H new ATOM 0 HH11 ARG A 28 -8.093 2.942 12.666 1.00 5.29 H new ATOM 0 HH12 ARG A 28 -9.545 2.231 11.954 1.00 5.29 H new ATOM 0 HH21 ARG A 28 -7.881 1.489 8.919 1.00 5.95 H new ATOM 0 HH22 ARG A 28 -9.423 1.385 9.774 1.00 5.95 H new ATOM 441 N ASP A 29 -4.924 1.532 13.393 1.00 1.62 N ATOM 442 CA ASP A 29 -5.482 0.210 13.712 1.00 1.74 C ATOM 443 C ASP A 29 -6.236 -0.231 12.454 1.00 1.67 C ATOM 444 O ASP A 29 -6.066 0.358 11.406 1.00 3.27 O ATOM 445 CB ASP A 29 -6.467 0.394 14.875 1.00 2.29 C ATOM 446 CG ASP A 29 -7.583 1.346 14.410 1.00 3.09 C ATOM 447 OD1 ASP A 29 -7.281 2.529 14.289 1.00 3.98 O ATOM 448 OD2 ASP A 29 -8.648 0.834 14.122 1.00 3.81 O ATOM 0 H ASP A 29 -5.629 2.206 13.094 1.00 1.62 H new ATOM 0 HA ASP A 29 -4.726 -0.523 13.993 1.00 1.74 H new ATOM 0 HB2 ASP A 29 -6.886 -0.567 15.174 1.00 2.29 H new ATOM 0 HB3 ASP A 29 -5.955 0.804 15.746 1.00 2.29 H new ATOM 453 N ASP A 30 -7.005 -1.263 12.580 1.00 1.17 N ATOM 454 CA ASP A 30 -7.816 -1.778 11.417 1.00 1.10 C ATOM 455 C ASP A 30 -7.015 -1.656 10.101 1.00 1.06 C ATOM 456 O ASP A 30 -7.547 -1.272 9.075 1.00 1.94 O ATOM 457 CB ASP A 30 -9.143 -0.983 11.355 1.00 1.58 C ATOM 458 CG ASP A 30 -9.939 -1.335 10.094 1.00 2.41 C ATOM 459 OD1 ASP A 30 -10.248 -2.508 9.954 1.00 3.25 O ATOM 460 OD2 ASP A 30 -10.156 -0.420 9.303 1.00 3.43 O ATOM 0 H ASP A 30 -7.119 -1.791 13.445 1.00 1.17 H new ATOM 0 HA ASP A 30 -8.041 -2.836 11.554 1.00 1.10 H new ATOM 0 HB2 ASP A 30 -9.742 -1.200 12.239 1.00 1.58 H new ATOM 0 HB3 ASP A 30 -8.931 0.086 11.368 1.00 1.58 H new ATOM 465 N PHE A 31 -5.748 -1.968 10.140 1.00 0.92 N ATOM 466 CA PHE A 31 -4.924 -1.847 8.901 1.00 0.81 C ATOM 467 C PHE A 31 -3.925 -2.992 8.830 1.00 0.90 C ATOM 468 O PHE A 31 -2.850 -2.917 9.390 1.00 0.98 O ATOM 469 CB PHE A 31 -4.190 -0.498 8.907 1.00 0.82 C ATOM 470 CG PHE A 31 -3.529 -0.251 7.540 1.00 0.71 C ATOM 471 CD1 PHE A 31 -2.288 -0.775 7.249 1.00 0.82 C ATOM 472 CD2 PHE A 31 -4.173 0.506 6.580 1.00 0.67 C ATOM 473 CE1 PHE A 31 -1.695 -0.540 6.027 1.00 0.73 C ATOM 474 CE2 PHE A 31 -3.585 0.739 5.356 1.00 0.69 C ATOM 475 CZ PHE A 31 -2.345 0.217 5.079 1.00 0.64 C ATOM 0 H PHE A 31 -5.251 -2.298 10.967 1.00 0.92 H new ATOM 0 HA PHE A 31 -5.572 -1.897 8.026 1.00 0.81 H new ATOM 0 HB2 PHE A 31 -4.891 0.306 9.131 1.00 0.82 H new ATOM 0 HB3 PHE A 31 -3.434 -0.490 9.692 1.00 0.82 H new ATOM 0 HD1 PHE A 31 -1.775 -1.376 7.986 1.00 0.82 H new ATOM 0 HD2 PHE A 31 -5.148 0.920 6.791 1.00 0.67 H new ATOM 0 HE1 PHE A 31 -0.719 -0.950 5.813 1.00 0.73 H new ATOM 0 HE2 PHE A 31 -4.099 1.332 4.614 1.00 0.69 H new ATOM 0 HZ PHE A 31 -1.882 0.400 4.121 1.00 0.64 H new ATOM 485 N GLN A 32 -4.309 -4.033 8.172 1.00 1.04 N ATOM 486 CA GLN A 32 -3.383 -5.181 8.049 1.00 1.16 C ATOM 487 C GLN A 32 -2.851 -5.159 6.625 1.00 1.21 C ATOM 488 O GLN A 32 -3.588 -5.274 5.664 1.00 1.85 O ATOM 489 CB GLN A 32 -4.130 -6.480 8.364 1.00 1.27 C ATOM 490 CG GLN A 32 -5.014 -6.279 9.620 1.00 1.46 C ATOM 491 CD GLN A 32 -4.242 -5.517 10.714 1.00 2.31 C ATOM 492 OE1 GLN A 32 -4.734 -4.568 11.299 1.00 4.07 O ATOM 493 NE2 GLN A 32 -3.029 -5.873 11.003 1.00 3.07 N ATOM 0 H GLN A 32 -5.215 -4.143 7.716 1.00 1.04 H new ATOM 0 HA GLN A 32 -2.553 -5.118 8.753 1.00 1.16 H new ATOM 0 HB2 GLN A 32 -4.748 -6.771 7.515 1.00 1.27 H new ATOM 0 HB3 GLN A 32 -3.419 -7.289 8.533 1.00 1.27 H new ATOM 0 HG2 GLN A 32 -5.915 -5.727 9.352 1.00 1.46 H new ATOM 0 HG3 GLN A 32 -5.336 -7.247 10.003 1.00 1.46 H new ATOM 0 HE21 GLN A 32 -2.602 -6.665 10.523 1.00 3.07 H new ATOM 0 HE22 GLN A 32 -2.502 -5.361 11.710 1.00 3.07 H new ATOM 502 N TYR A 33 -1.573 -4.992 6.522 1.00 0.81 N ATOM 503 CA TYR A 33 -0.953 -4.901 5.178 1.00 0.76 C ATOM 504 C TYR A 33 0.059 -6.005 4.939 1.00 0.78 C ATOM 505 O TYR A 33 0.615 -6.574 5.858 1.00 0.83 O ATOM 506 CB TYR A 33 -0.289 -3.509 5.055 1.00 0.82 C ATOM 507 CG TYR A 33 1.255 -3.555 5.074 1.00 0.62 C ATOM 508 CD1 TYR A 33 1.957 -3.605 6.265 1.00 0.98 C ATOM 509 CD2 TYR A 33 1.967 -3.463 3.894 1.00 0.99 C ATOM 510 CE1 TYR A 33 3.337 -3.549 6.272 1.00 1.36 C ATOM 511 CE2 TYR A 33 3.345 -3.404 3.905 1.00 1.40 C ATOM 512 CZ TYR A 33 4.040 -3.440 5.090 1.00 1.51 C ATOM 513 OH TYR A 33 5.422 -3.341 5.089 1.00 2.14 O ATOM 0 H TYR A 33 -0.928 -4.914 7.308 1.00 0.81 H new ATOM 0 HA TYR A 33 -1.724 -5.026 4.418 1.00 0.76 H new ATOM 0 HB2 TYR A 33 -0.619 -3.039 4.128 1.00 0.82 H new ATOM 0 HB3 TYR A 33 -0.635 -2.877 5.873 1.00 0.82 H new ATOM 0 HD1 TYR A 33 1.421 -3.689 7.199 1.00 0.98 H new ATOM 0 HD2 TYR A 33 1.439 -3.437 2.952 1.00 0.99 H new ATOM 0 HE1 TYR A 33 3.870 -3.591 7.210 1.00 1.36 H new ATOM 0 HE2 TYR A 33 3.884 -3.329 2.972 1.00 1.40 H new ATOM 0 HH TYR A 33 5.758 -3.446 6.004 1.00 2.14 H new ATOM 523 N GLN A 34 0.235 -6.267 3.682 1.00 0.77 N ATOM 524 CA GLN A 34 1.207 -7.284 3.227 1.00 0.77 C ATOM 525 C GLN A 34 2.061 -6.589 2.173 1.00 0.75 C ATOM 526 O GLN A 34 1.579 -5.691 1.496 1.00 0.82 O ATOM 527 CB GLN A 34 0.436 -8.470 2.615 1.00 0.75 C ATOM 528 CG GLN A 34 1.384 -9.627 2.274 1.00 1.15 C ATOM 529 CD GLN A 34 2.062 -10.114 3.552 1.00 2.31 C ATOM 530 OE1 GLN A 34 3.114 -9.638 3.919 1.00 3.22 O ATOM 531 NE2 GLN A 34 1.484 -11.032 4.268 1.00 3.46 N ATOM 0 H GLN A 34 -0.272 -5.803 2.928 1.00 0.77 H new ATOM 0 HA GLN A 34 1.826 -7.672 4.036 1.00 0.77 H new ATOM 0 HB2 GLN A 34 -0.325 -8.814 3.316 1.00 0.75 H new ATOM 0 HB3 GLN A 34 -0.084 -8.144 1.714 1.00 0.75 H new ATOM 0 HG2 GLN A 34 0.830 -10.442 1.809 1.00 1.15 H new ATOM 0 HG3 GLN A 34 2.133 -9.299 1.553 1.00 1.15 H new ATOM 0 HE21 GLN A 34 0.598 -11.435 3.962 1.00 3.46 H new ATOM 0 HE22 GLN A 34 1.916 -11.349 5.136 1.00 3.46 H new ATOM 540 N TYR A 35 3.292 -6.980 2.035 1.00 0.72 N ATOM 541 CA TYR A 35 4.125 -6.302 1.000 1.00 0.75 C ATOM 542 C TYR A 35 4.427 -7.301 -0.106 1.00 0.62 C ATOM 543 O TYR A 35 4.558 -8.486 0.139 1.00 0.65 O ATOM 544 CB TYR A 35 5.443 -5.784 1.606 1.00 0.92 C ATOM 545 CG TYR A 35 6.115 -4.839 0.588 1.00 1.11 C ATOM 546 CD1 TYR A 35 5.445 -3.717 0.138 1.00 1.47 C ATOM 547 CD2 TYR A 35 7.371 -5.109 0.071 1.00 1.47 C ATOM 548 CE1 TYR A 35 6.006 -2.893 -0.813 1.00 1.66 C ATOM 549 CE2 TYR A 35 7.935 -4.270 -0.880 1.00 1.69 C ATOM 550 CZ TYR A 35 7.248 -3.156 -1.334 1.00 1.60 C ATOM 551 OH TYR A 35 7.763 -2.331 -2.322 1.00 1.88 O ATOM 0 H TYR A 35 3.751 -7.715 2.573 1.00 0.72 H new ATOM 0 HA TYR A 35 3.578 -5.447 0.603 1.00 0.75 H new ATOM 0 HB2 TYR A 35 5.249 -5.257 2.540 1.00 0.92 H new ATOM 0 HB3 TYR A 35 6.104 -6.618 1.842 1.00 0.92 H new ATOM 0 HD1 TYR A 35 4.469 -3.483 0.537 1.00 1.47 H new ATOM 0 HD2 TYR A 35 7.915 -5.978 0.410 1.00 1.47 H new ATOM 0 HE1 TYR A 35 5.460 -2.026 -1.154 1.00 1.66 H new ATOM 0 HE2 TYR A 35 8.918 -4.488 -1.270 1.00 1.69 H new ATOM 0 HH TYR A 35 8.671 -2.622 -2.551 1.00 1.88 H new ATOM 561 N VAL A 36 4.493 -6.804 -1.300 1.00 0.61 N ATOM 562 CA VAL A 36 4.793 -7.678 -2.460 1.00 0.63 C ATOM 563 C VAL A 36 6.022 -7.081 -3.181 1.00 0.91 C ATOM 564 O VAL A 36 6.275 -5.895 -3.067 1.00 1.26 O ATOM 565 CB VAL A 36 3.487 -7.743 -3.287 1.00 0.56 C ATOM 566 CG1 VAL A 36 3.787 -7.900 -4.777 1.00 0.75 C ATOM 567 CG2 VAL A 36 2.685 -8.969 -2.827 1.00 0.53 C ATOM 0 H VAL A 36 4.351 -5.820 -1.527 1.00 0.61 H new ATOM 0 HA VAL A 36 5.069 -8.705 -2.219 1.00 0.63 H new ATOM 0 HB VAL A 36 2.930 -6.819 -3.135 1.00 0.56 H new ATOM 0 HG11 VAL A 36 2.851 -7.943 -5.334 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.375 -7.050 -5.121 1.00 0.75 H new ATOM 0 HG13 VAL A 36 4.349 -8.820 -4.940 1.00 0.75 H new ATOM 0 HG21 VAL A 36 1.759 -9.033 -3.398 1.00 0.53 H new ATOM 0 HG22 VAL A 36 3.275 -9.871 -2.989 1.00 0.53 H new ATOM 0 HG23 VAL A 36 2.451 -8.874 -1.767 1.00 0.53 H new ATOM 577 N ASP A 37 6.759 -7.898 -3.897 1.00 0.82 N ATOM 578 CA ASP A 37 8.015 -7.409 -4.573 1.00 1.16 C ATOM 579 C ASP A 37 8.055 -7.747 -6.082 1.00 1.43 C ATOM 580 O ASP A 37 9.082 -8.117 -6.604 1.00 2.66 O ATOM 581 CB ASP A 37 9.159 -8.080 -3.779 1.00 1.28 C ATOM 582 CG ASP A 37 10.482 -8.170 -4.545 1.00 1.49 C ATOM 583 OD1 ASP A 37 11.040 -7.133 -4.851 1.00 2.02 O ATOM 584 OD2 ASP A 37 10.890 -9.296 -4.784 1.00 2.42 O ATOM 0 H ASP A 37 6.548 -8.885 -4.045 1.00 0.82 H new ATOM 0 HA ASP A 37 8.090 -6.322 -4.558 1.00 1.16 H new ATOM 0 HB2 ASP A 37 9.323 -7.522 -2.857 1.00 1.28 H new ATOM 0 HB3 ASP A 37 8.848 -9.085 -3.493 1.00 1.28 H new ATOM 589 N ILE A 38 6.924 -7.555 -6.727 1.00 1.06 N ATOM 590 CA ILE A 38 6.717 -7.828 -8.203 1.00 1.08 C ATOM 591 C ILE A 38 7.548 -8.991 -8.771 1.00 1.02 C ATOM 592 O ILE A 38 6.991 -9.980 -9.213 1.00 1.30 O ATOM 593 CB ILE A 38 6.928 -6.537 -9.033 1.00 1.35 C ATOM 594 CG1 ILE A 38 8.249 -5.822 -8.705 1.00 1.69 C ATOM 595 CG2 ILE A 38 5.775 -5.576 -8.726 1.00 1.28 C ATOM 596 CD1 ILE A 38 8.954 -5.465 -10.019 1.00 1.76 C ATOM 0 H ILE A 38 6.086 -7.200 -6.267 1.00 1.06 H new ATOM 0 HA ILE A 38 5.681 -8.156 -8.291 1.00 1.08 H new ATOM 0 HB ILE A 38 6.961 -6.824 -10.084 1.00 1.35 H new ATOM 0 HG12 ILE A 38 8.057 -4.921 -8.123 1.00 1.69 H new ATOM 0 HG13 ILE A 38 8.886 -6.465 -8.097 1.00 1.69 H new ATOM 0 HG21 ILE A 38 5.903 -4.659 -9.300 1.00 1.28 H new ATOM 0 HG22 ILE A 38 4.829 -6.045 -8.997 1.00 1.28 H new ATOM 0 HG23 ILE A 38 5.771 -5.340 -7.662 1.00 1.28 H new ATOM 0 HD11 ILE A 38 9.893 -4.957 -9.801 1.00 1.76 H new ATOM 0 HD12 ILE A 38 9.156 -6.376 -10.583 1.00 1.76 H new ATOM 0 HD13 ILE A 38 8.314 -4.808 -10.608 1.00 1.76 H new ATOM 608 N ARG A 39 8.841 -8.857 -8.790 1.00 0.90 N ATOM 609 CA ARG A 39 9.704 -9.956 -9.309 1.00 0.97 C ATOM 610 C ARG A 39 9.394 -11.231 -8.521 1.00 0.96 C ATOM 611 O ARG A 39 9.176 -12.283 -9.098 1.00 1.43 O ATOM 612 CB ARG A 39 11.173 -9.557 -9.117 1.00 1.05 C ATOM 613 CG ARG A 39 12.085 -10.759 -9.410 1.00 1.98 C ATOM 614 CD ARG A 39 13.574 -10.387 -9.231 1.00 2.52 C ATOM 615 NE ARG A 39 13.965 -10.245 -7.778 1.00 3.17 N ATOM 616 CZ ARG A 39 13.089 -9.975 -6.852 1.00 3.72 C ATOM 617 NH1 ARG A 39 12.447 -10.949 -6.291 1.00 4.55 N ATOM 618 NH2 ARG A 39 12.891 -8.733 -6.521 1.00 4.39 N ATOM 0 H ARG A 39 9.343 -8.030 -8.467 1.00 0.90 H new ATOM 0 HA ARG A 39 9.515 -10.132 -10.368 1.00 0.97 H new ATOM 0 HB2 ARG A 39 11.424 -8.729 -9.780 1.00 1.05 H new ATOM 0 HB3 ARG A 39 11.334 -9.208 -8.097 1.00 1.05 H new ATOM 0 HG2 ARG A 39 11.831 -11.583 -8.743 1.00 1.98 H new ATOM 0 HG3 ARG A 39 11.915 -11.109 -10.428 1.00 1.98 H new ATOM 0 HD2 ARG A 39 14.195 -11.152 -9.698 1.00 2.52 H new ATOM 0 HD3 ARG A 39 13.776 -9.451 -9.751 1.00 2.52 H new ATOM 0 HE ARG A 39 14.943 -10.364 -7.515 1.00 3.17 H new ATOM 0 HH11 ARG A 39 12.630 -11.911 -6.575 1.00 4.55 H new ATOM 0 HH12 ARG A 39 11.758 -10.754 -5.564 1.00 4.55 H new ATOM 0 HH21 ARG A 39 13.417 -7.992 -6.984 1.00 4.39 H new ATOM 0 HH22 ARG A 39 12.210 -8.500 -5.798 1.00 4.39 H new ATOM 632 N ALA A 40 9.433 -11.097 -7.213 1.00 1.06 N ATOM 633 CA ALA A 40 9.134 -12.258 -6.318 1.00 1.11 C ATOM 634 C ALA A 40 7.947 -13.072 -6.844 1.00 1.11 C ATOM 635 O ALA A 40 7.985 -14.291 -6.819 1.00 1.26 O ATOM 636 CB ALA A 40 8.805 -11.739 -4.916 1.00 1.12 C ATOM 0 H ALA A 40 9.660 -10.229 -6.728 1.00 1.06 H new ATOM 0 HA ALA A 40 10.010 -12.906 -6.290 1.00 1.11 H new ATOM 0 HB1 ALA A 40 8.586 -12.580 -4.259 1.00 1.12 H new ATOM 0 HB2 ALA A 40 9.658 -11.184 -4.524 1.00 1.12 H new ATOM 0 HB3 ALA A 40 7.937 -11.082 -4.966 1.00 1.12 H new ATOM 642 N GLU A 41 6.920 -12.378 -7.288 1.00 1.01 N ATOM 643 CA GLU A 41 5.712 -13.084 -7.821 1.00 1.11 C ATOM 644 C GLU A 41 6.030 -13.559 -9.241 1.00 1.23 C ATOM 645 O GLU A 41 5.772 -14.687 -9.611 1.00 1.56 O ATOM 646 CB GLU A 41 4.505 -12.130 -7.928 1.00 1.15 C ATOM 647 CG GLU A 41 4.424 -11.127 -6.771 1.00 1.88 C ATOM 648 CD GLU A 41 3.378 -10.060 -7.144 1.00 2.99 C ATOM 649 OE1 GLU A 41 2.216 -10.441 -7.233 1.00 3.18 O ATOM 650 OE2 GLU A 41 3.800 -8.934 -7.361 1.00 4.42 O ATOM 0 H GLU A 41 6.869 -11.359 -7.303 1.00 1.01 H new ATOM 0 HA GLU A 41 5.468 -13.905 -7.146 1.00 1.11 H new ATOM 0 HB2 GLU A 41 4.564 -11.585 -8.870 1.00 1.15 H new ATOM 0 HB3 GLU A 41 3.587 -12.717 -7.956 1.00 1.15 H new ATOM 0 HG2 GLU A 41 4.142 -11.632 -5.847 1.00 1.88 H new ATOM 0 HG3 GLU A 41 5.396 -10.665 -6.598 1.00 1.88 H new ATOM 657 N GLY A 42 6.569 -12.646 -10.001 1.00 1.17 N ATOM 658 CA GLY A 42 6.930 -12.938 -11.417 1.00 1.36 C ATOM 659 C GLY A 42 5.969 -12.180 -12.325 1.00 1.37 C ATOM 660 O GLY A 42 5.479 -12.724 -13.296 1.00 1.60 O ATOM 0 H GLY A 42 6.778 -11.695 -9.696 1.00 1.17 H new ATOM 0 HA2 GLY A 42 7.958 -12.636 -11.616 1.00 1.36 H new ATOM 0 HA3 GLY A 42 6.870 -14.009 -11.611 1.00 1.36 H new ATOM 664 N ILE A 43 5.762 -10.921 -12.012 1.00 1.18 N ATOM 665 CA ILE A 43 4.814 -10.085 -12.819 1.00 1.24 C ATOM 666 C ILE A 43 5.525 -9.389 -14.000 1.00 1.30 C ATOM 667 O ILE A 43 6.721 -9.151 -13.965 1.00 1.37 O ATOM 668 CB ILE A 43 4.207 -9.003 -11.900 1.00 1.29 C ATOM 669 CG1 ILE A 43 3.830 -9.561 -10.509 1.00 1.56 C ATOM 670 CG2 ILE A 43 2.947 -8.431 -12.559 1.00 1.29 C ATOM 671 CD1 ILE A 43 2.781 -10.675 -10.635 1.00 1.99 C ATOM 0 H ILE A 43 6.208 -10.437 -11.233 1.00 1.18 H new ATOM 0 HA ILE A 43 4.043 -10.740 -13.225 1.00 1.24 H new ATOM 0 HB ILE A 43 4.962 -8.230 -11.760 1.00 1.29 H new ATOM 0 HG12 ILE A 43 4.721 -9.948 -10.014 1.00 1.56 H new ATOM 0 HG13 ILE A 43 3.441 -8.758 -9.883 1.00 1.56 H new ATOM 0 HG21 ILE A 43 2.514 -7.666 -11.914 1.00 1.29 H new ATOM 0 HG22 ILE A 43 3.208 -7.989 -13.521 1.00 1.29 H new ATOM 0 HG23 ILE A 43 2.221 -9.230 -12.712 1.00 1.29 H new ATOM 0 HD11 ILE A 43 2.531 -11.053 -9.644 1.00 1.99 H new ATOM 0 HD12 ILE A 43 1.884 -10.278 -11.109 1.00 1.99 H new ATOM 0 HD13 ILE A 43 3.183 -11.486 -11.242 1.00 1.99 H new ATOM 683 N THR A 44 4.760 -9.060 -15.016 1.00 1.40 N ATOM 684 CA THR A 44 5.333 -8.374 -16.223 1.00 1.61 C ATOM 685 C THR A 44 4.572 -7.073 -16.552 1.00 1.84 C ATOM 686 O THR A 44 3.558 -7.118 -17.216 1.00 3.12 O ATOM 687 CB THR A 44 5.246 -9.329 -17.416 1.00 1.81 C ATOM 688 OG1 THR A 44 3.886 -9.755 -17.458 1.00 1.93 O ATOM 689 CG2 THR A 44 6.061 -10.599 -17.165 1.00 1.91 C ATOM 0 H THR A 44 3.757 -9.238 -15.062 1.00 1.40 H new ATOM 0 HA THR A 44 6.369 -8.110 -16.013 1.00 1.61 H new ATOM 0 HB THR A 44 5.605 -8.831 -18.317 1.00 1.81 H new ATOM 0 HG1 THR A 44 3.297 -8.975 -17.386 1.00 1.93 H new ATOM 0 HG21 THR A 44 5.981 -11.259 -18.029 1.00 1.91 H new ATOM 0 HG22 THR A 44 7.106 -10.335 -17.006 1.00 1.91 H new ATOM 0 HG23 THR A 44 5.677 -11.109 -16.282 1.00 1.91 H new ATOM 697 N LYS A 45 5.085 -5.961 -16.069 1.00 1.73 N ATOM 698 CA LYS A 45 4.479 -4.581 -16.285 1.00 1.85 C ATOM 699 C LYS A 45 3.105 -4.529 -17.002 1.00 1.94 C ATOM 700 O LYS A 45 2.136 -4.073 -16.422 1.00 2.20 O ATOM 701 CB LYS A 45 5.482 -3.733 -17.086 1.00 2.18 C ATOM 702 CG LYS A 45 5.032 -2.258 -17.125 1.00 2.67 C ATOM 703 CD LYS A 45 6.070 -1.434 -17.917 1.00 3.38 C ATOM 704 CE LYS A 45 5.368 -0.548 -18.955 1.00 4.05 C ATOM 705 NZ LYS A 45 4.490 -1.376 -19.826 1.00 4.49 N ATOM 0 H LYS A 45 5.937 -5.944 -15.508 1.00 1.73 H new ATOM 0 HA LYS A 45 4.284 -4.198 -15.283 1.00 1.85 H new ATOM 0 HB2 LYS A 45 6.471 -3.806 -16.634 1.00 2.18 H new ATOM 0 HB3 LYS A 45 5.566 -4.121 -18.101 1.00 2.18 H new ATOM 0 HG2 LYS A 45 4.051 -2.176 -17.593 1.00 2.67 H new ATOM 0 HG3 LYS A 45 4.935 -1.867 -16.112 1.00 2.67 H new ATOM 0 HD2 LYS A 45 6.651 -0.815 -17.233 1.00 3.38 H new ATOM 0 HD3 LYS A 45 6.772 -2.103 -18.415 1.00 3.38 H new ATOM 0 HE2 LYS A 45 4.776 0.216 -18.451 1.00 4.05 H new ATOM 0 HE3 LYS A 45 6.110 -0.029 -19.562 1.00 4.05 H new ATOM 0 HZ1 LYS A 45 4.469 -0.970 -20.783 1.00 4.49 H new ATOM 0 HZ2 LYS A 45 4.860 -2.347 -19.869 1.00 4.49 H new ATOM 0 HZ3 LYS A 45 3.527 -1.390 -19.435 1.00 4.49 H new ATOM 719 N GLU A 46 3.036 -4.932 -18.243 1.00 2.08 N ATOM 720 CA GLU A 46 1.715 -4.874 -18.963 1.00 2.31 C ATOM 721 C GLU A 46 0.597 -5.477 -18.102 1.00 2.11 C ATOM 722 O GLU A 46 -0.470 -4.913 -17.962 1.00 2.15 O ATOM 723 CB GLU A 46 1.814 -5.629 -20.301 1.00 2.63 C ATOM 724 CG GLU A 46 3.203 -5.423 -20.946 1.00 2.74 C ATOM 725 CD GLU A 46 3.685 -3.973 -20.807 1.00 3.61 C ATOM 726 OE1 GLU A 46 2.852 -3.090 -20.899 1.00 4.68 O ATOM 727 OE2 GLU A 46 4.872 -3.818 -20.587 1.00 4.16 O ATOM 0 H GLU A 46 3.819 -5.294 -18.788 1.00 2.08 H new ATOM 0 HA GLU A 46 1.473 -3.829 -19.156 1.00 2.31 H new ATOM 0 HB2 GLU A 46 1.638 -6.692 -20.138 1.00 2.63 H new ATOM 0 HB3 GLU A 46 1.037 -5.278 -20.980 1.00 2.63 H new ATOM 0 HG2 GLU A 46 3.924 -6.093 -20.478 1.00 2.74 H new ATOM 0 HG3 GLU A 46 3.157 -5.692 -22.001 1.00 2.74 H new ATOM 734 N ASP A 47 0.889 -6.599 -17.520 1.00 1.97 N ATOM 735 CA ASP A 47 -0.101 -7.295 -16.651 1.00 1.89 C ATOM 736 C ASP A 47 -0.537 -6.379 -15.487 1.00 1.66 C ATOM 737 O ASP A 47 -1.693 -6.384 -15.068 1.00 1.65 O ATOM 738 CB ASP A 47 0.582 -8.568 -16.149 1.00 1.90 C ATOM 739 CG ASP A 47 -0.167 -9.156 -14.966 1.00 2.16 C ATOM 740 OD1 ASP A 47 0.052 -8.638 -13.890 1.00 3.23 O ATOM 741 OD2 ASP A 47 -0.976 -10.038 -15.199 1.00 2.76 O ATOM 0 H ASP A 47 1.787 -7.075 -17.609 1.00 1.97 H new ATOM 0 HA ASP A 47 -1.010 -7.545 -17.198 1.00 1.89 H new ATOM 0 HB2 ASP A 47 0.630 -9.301 -16.954 1.00 1.90 H new ATOM 0 HB3 ASP A 47 1.609 -8.344 -15.859 1.00 1.90 H new ATOM 746 N LEU A 48 0.408 -5.627 -14.973 1.00 1.57 N ATOM 747 CA LEU A 48 0.087 -4.695 -13.850 1.00 1.45 C ATOM 748 C LEU A 48 -0.876 -3.636 -14.373 1.00 1.58 C ATOM 749 O LEU A 48 -1.860 -3.313 -13.730 1.00 1.62 O ATOM 750 CB LEU A 48 1.387 -4.067 -13.332 1.00 1.41 C ATOM 751 CG LEU A 48 1.976 -5.007 -12.270 1.00 1.23 C ATOM 752 CD1 LEU A 48 3.492 -4.821 -12.175 1.00 1.45 C ATOM 753 CD2 LEU A 48 1.355 -4.685 -10.907 1.00 1.38 C ATOM 0 H LEU A 48 1.380 -5.619 -15.281 1.00 1.57 H new ATOM 0 HA LEU A 48 -0.385 -5.222 -13.020 1.00 1.45 H new ATOM 0 HB2 LEU A 48 2.094 -3.925 -14.149 1.00 1.41 H new ATOM 0 HB3 LEU A 48 1.192 -3.084 -12.905 1.00 1.41 H new ATOM 0 HG LEU A 48 1.756 -6.036 -12.554 1.00 1.23 H new ATOM 0 HD11 LEU A 48 3.894 -5.494 -11.418 1.00 1.45 H new ATOM 0 HD12 LEU A 48 3.947 -5.046 -13.140 1.00 1.45 H new ATOM 0 HD13 LEU A 48 3.716 -3.790 -11.900 1.00 1.45 H new ATOM 0 HD21 LEU A 48 1.771 -5.351 -10.151 1.00 1.38 H new ATOM 0 HD22 LEU A 48 1.576 -3.651 -10.641 1.00 1.38 H new ATOM 0 HD23 LEU A 48 0.275 -4.824 -10.957 1.00 1.38 H new ATOM 765 N GLN A 49 -0.560 -3.106 -15.530 1.00 1.75 N ATOM 766 CA GLN A 49 -1.485 -2.099 -16.143 1.00 1.93 C ATOM 767 C GLN A 49 -2.904 -2.700 -16.123 1.00 1.90 C ATOM 768 O GLN A 49 -3.859 -2.016 -15.820 1.00 1.92 O ATOM 769 CB GLN A 49 -1.082 -1.804 -17.603 1.00 2.21 C ATOM 770 CG GLN A 49 0.242 -1.012 -17.662 1.00 2.86 C ATOM 771 CD GLN A 49 0.916 -1.142 -19.048 1.00 3.80 C ATOM 772 OE1 GLN A 49 1.922 -0.510 -19.319 1.00 4.87 O ATOM 773 NE2 GLN A 49 0.447 -1.951 -19.952 1.00 4.19 N ATOM 0 H GLN A 49 0.280 -3.320 -16.068 1.00 1.75 H new ATOM 0 HA GLN A 49 -1.440 -1.166 -15.581 1.00 1.93 H new ATOM 0 HB2 GLN A 49 -0.975 -2.740 -18.151 1.00 2.21 H new ATOM 0 HB3 GLN A 49 -1.872 -1.236 -18.094 1.00 2.21 H new ATOM 0 HG2 GLN A 49 0.049 0.039 -17.447 1.00 2.86 H new ATOM 0 HG3 GLN A 49 0.920 -1.376 -16.890 1.00 2.86 H new ATOM 0 HE21 GLN A 49 -0.393 -2.497 -19.761 1.00 4.19 H new ATOM 0 HE22 GLN A 49 0.920 -2.040 -20.852 1.00 4.19 H new ATOM 782 N GLN A 50 -2.987 -3.977 -16.444 1.00 1.93 N ATOM 783 CA GLN A 50 -4.315 -4.685 -16.456 1.00 2.00 C ATOM 784 C GLN A 50 -4.927 -4.814 -15.048 1.00 1.78 C ATOM 785 O GLN A 50 -6.004 -4.319 -14.806 1.00 1.95 O ATOM 786 CB GLN A 50 -4.151 -6.107 -17.032 1.00 2.17 C ATOM 787 CG GLN A 50 -3.688 -6.051 -18.497 1.00 3.53 C ATOM 788 CD GLN A 50 -3.586 -7.475 -19.073 1.00 4.31 C ATOM 789 OE1 GLN A 50 -3.277 -8.476 -18.302 1.00 5.23 O flip ATOM 790 NE2 GLN A 50 -3.784 -7.697 -20.248 1.00 4.78 N flip ATOM 0 H GLN A 50 -2.189 -4.560 -16.699 1.00 1.93 H new ATOM 0 HA GLN A 50 -4.981 -4.083 -17.074 1.00 2.00 H new ATOM 0 HB2 GLN A 50 -3.427 -6.664 -16.438 1.00 2.17 H new ATOM 0 HB3 GLN A 50 -5.098 -6.643 -16.965 1.00 2.17 H new ATOM 0 HG2 GLN A 50 -4.390 -5.461 -19.086 1.00 3.53 H new ATOM 0 HG3 GLN A 50 -2.720 -5.554 -18.562 1.00 3.53 H new ATOM 0 HE21 GLN A 50 -4.028 -6.932 -20.877 1.00 4.78 H new ATOM 0 HE22 GLN A 50 -3.707 -8.648 -20.607 1.00 4.78 H new ATOM 799 N LYS A 51 -4.248 -5.484 -14.146 1.00 1.53 N ATOM 800 CA LYS A 51 -4.819 -5.653 -12.768 1.00 1.46 C ATOM 801 C LYS A 51 -5.059 -4.333 -12.050 1.00 1.27 C ATOM 802 O LYS A 51 -6.001 -4.209 -11.304 1.00 1.26 O ATOM 803 CB LYS A 51 -3.897 -6.495 -11.892 1.00 1.56 C ATOM 804 CG LYS A 51 -2.432 -6.081 -12.036 1.00 3.17 C ATOM 805 CD LYS A 51 -1.518 -7.169 -11.434 1.00 3.37 C ATOM 806 CE LYS A 51 -1.981 -8.573 -11.870 1.00 3.73 C ATOM 807 NZ LYS A 51 -2.432 -8.582 -13.296 1.00 4.70 N ATOM 0 H LYS A 51 -3.337 -5.916 -14.299 1.00 1.53 H new ATOM 0 HA LYS A 51 -5.778 -6.149 -12.917 1.00 1.46 H new ATOM 0 HB2 LYS A 51 -4.200 -6.398 -10.849 1.00 1.56 H new ATOM 0 HB3 LYS A 51 -4.004 -7.546 -12.159 1.00 1.56 H new ATOM 0 HG2 LYS A 51 -2.189 -5.931 -13.088 1.00 3.17 H new ATOM 0 HG3 LYS A 51 -2.262 -5.130 -11.531 1.00 3.17 H new ATOM 0 HD2 LYS A 51 -0.489 -7.004 -11.754 1.00 3.37 H new ATOM 0 HD3 LYS A 51 -1.529 -7.099 -10.346 1.00 3.37 H new ATOM 0 HE2 LYS A 51 -1.164 -9.283 -11.741 1.00 3.73 H new ATOM 0 HE3 LYS A 51 -2.796 -8.905 -11.227 1.00 3.73 H new ATOM 0 HZ1 LYS A 51 -2.177 -9.490 -13.735 1.00 4.70 H new ATOM 0 HZ2 LYS A 51 -3.464 -8.456 -13.335 1.00 4.70 H new ATOM 0 HZ3 LYS A 51 -1.969 -7.806 -13.811 1.00 4.70 H new ATOM 821 N ALA A 52 -4.172 -3.410 -12.246 1.00 1.48 N ATOM 822 CA ALA A 52 -4.303 -2.092 -11.574 1.00 1.58 C ATOM 823 C ALA A 52 -5.179 -1.153 -12.404 1.00 1.74 C ATOM 824 O ALA A 52 -6.128 -0.561 -11.915 1.00 1.81 O ATOM 825 CB ALA A 52 -2.888 -1.524 -11.423 1.00 1.85 C ATOM 0 H ALA A 52 -3.354 -3.509 -12.847 1.00 1.48 H new ATOM 0 HA ALA A 52 -4.780 -2.198 -10.600 1.00 1.58 H new ATOM 0 HB1 ALA A 52 -2.937 -0.552 -10.932 1.00 1.85 H new ATOM 0 HB2 ALA A 52 -2.285 -2.205 -10.822 1.00 1.85 H new ATOM 0 HB3 ALA A 52 -2.434 -1.411 -12.408 1.00 1.85 H new ATOM 831 N GLY A 53 -4.816 -1.008 -13.635 1.00 2.04 N ATOM 832 CA GLY A 53 -5.587 -0.126 -14.550 1.00 2.37 C ATOM 833 C GLY A 53 -4.823 1.167 -14.754 1.00 2.76 C ATOM 834 O GLY A 53 -4.477 1.522 -15.861 1.00 3.57 O ATOM 0 H GLY A 53 -4.009 -1.466 -14.058 1.00 2.04 H new ATOM 0 HA2 GLY A 53 -5.746 -0.624 -15.507 1.00 2.37 H new ATOM 0 HA3 GLY A 53 -6.572 0.081 -14.131 1.00 2.37 H new ATOM 838 N LYS A 54 -4.524 1.809 -13.655 1.00 2.77 N ATOM 839 CA LYS A 54 -3.794 3.115 -13.736 1.00 3.23 C ATOM 840 C LYS A 54 -2.703 3.262 -12.666 1.00 4.58 C ATOM 841 O LYS A 54 -2.849 4.004 -11.698 1.00 5.63 O ATOM 842 CB LYS A 54 -4.800 4.267 -13.605 1.00 3.28 C ATOM 843 CG LYS A 54 -5.715 4.055 -12.390 1.00 3.80 C ATOM 844 CD LYS A 54 -6.390 5.394 -12.053 1.00 4.75 C ATOM 845 CE LYS A 54 -6.403 5.625 -10.536 1.00 5.56 C ATOM 846 NZ LYS A 54 -5.036 5.496 -9.949 1.00 5.81 N ATOM 0 H LYS A 54 -4.750 1.492 -12.712 1.00 2.77 H new ATOM 0 HA LYS A 54 -3.294 3.144 -14.704 1.00 3.23 H new ATOM 0 HB2 LYS A 54 -4.267 5.212 -13.504 1.00 3.28 H new ATOM 0 HB3 LYS A 54 -5.401 4.336 -14.511 1.00 3.28 H new ATOM 0 HG2 LYS A 54 -6.466 3.296 -12.608 1.00 3.80 H new ATOM 0 HG3 LYS A 54 -5.137 3.696 -11.538 1.00 3.80 H new ATOM 0 HD2 LYS A 54 -5.860 6.209 -12.546 1.00 4.75 H new ATOM 0 HD3 LYS A 54 -7.410 5.400 -12.436 1.00 4.75 H new ATOM 0 HE2 LYS A 54 -6.799 6.617 -10.322 1.00 5.56 H new ATOM 0 HE3 LYS A 54 -7.072 4.906 -10.063 1.00 5.56 H new ATOM 0 HZ1 LYS A 54 -5.028 4.722 -9.255 1.00 5.81 H new ATOM 0 HZ2 LYS A 54 -4.352 5.291 -10.705 1.00 5.81 H new ATOM 0 HZ3 LYS A 54 -4.775 6.386 -9.478 1.00 5.81 H new ATOM 860 N PRO A 55 -1.632 2.557 -12.898 1.00 5.33 N ATOM 861 CA PRO A 55 -0.291 3.154 -12.918 1.00 6.09 C ATOM 862 C PRO A 55 -0.009 3.614 -14.354 1.00 4.43 C ATOM 863 O PRO A 55 -0.358 2.920 -15.292 1.00 4.00 O ATOM 864 CB PRO A 55 0.635 1.999 -12.507 1.00 7.94 C ATOM 865 CG PRO A 55 -0.197 0.689 -12.642 1.00 8.38 C ATOM 866 CD PRO A 55 -1.620 1.096 -13.078 1.00 6.48 C ATOM 0 HA PRO A 55 -0.164 4.015 -12.261 1.00 6.09 H new ATOM 0 HB2 PRO A 55 1.518 1.965 -13.146 1.00 7.94 H new ATOM 0 HB3 PRO A 55 0.987 2.130 -11.484 1.00 7.94 H new ATOM 0 HG2 PRO A 55 0.254 0.021 -13.376 1.00 8.38 H new ATOM 0 HG3 PRO A 55 -0.224 0.151 -11.695 1.00 8.38 H new ATOM 0 HD2 PRO A 55 -1.817 0.818 -14.113 1.00 6.48 H new ATOM 0 HD3 PRO A 55 -2.381 0.610 -12.467 1.00 6.48 H new ATOM 874 N VAL A 56 0.624 4.747 -14.503 1.00 4.36 N ATOM 875 CA VAL A 56 0.928 5.260 -15.879 1.00 3.53 C ATOM 876 C VAL A 56 2.399 5.016 -16.216 1.00 3.24 C ATOM 877 O VAL A 56 2.795 5.066 -17.363 1.00 3.99 O ATOM 878 CB VAL A 56 0.658 6.765 -15.951 1.00 4.80 C ATOM 879 CG1 VAL A 56 0.563 7.202 -17.422 1.00 5.37 C ATOM 880 CG2 VAL A 56 -0.649 7.112 -15.233 1.00 5.56 C ATOM 0 H VAL A 56 0.944 5.340 -13.738 1.00 4.36 H new ATOM 0 HA VAL A 56 0.291 4.734 -16.590 1.00 3.53 H new ATOM 0 HB VAL A 56 1.479 7.289 -15.462 1.00 4.80 H new ATOM 0 HG11 VAL A 56 0.371 8.274 -17.471 1.00 5.37 H new ATOM 0 HG12 VAL A 56 1.501 6.978 -17.929 1.00 5.37 H new ATOM 0 HG13 VAL A 56 -0.250 6.665 -17.909 1.00 5.37 H new ATOM 0 HG21 VAL A 56 -0.824 8.186 -15.295 1.00 5.56 H new ATOM 0 HG22 VAL A 56 -1.476 6.582 -15.706 1.00 5.56 H new ATOM 0 HG23 VAL A 56 -0.579 6.815 -14.186 1.00 5.56 H new ATOM 890 N GLU A 57 3.169 4.735 -15.213 1.00 3.24 N ATOM 891 CA GLU A 57 4.621 4.497 -15.420 1.00 3.65 C ATOM 892 C GLU A 57 5.021 3.086 -14.982 1.00 3.03 C ATOM 893 O GLU A 57 4.792 2.116 -15.688 1.00 3.09 O ATOM 894 CB GLU A 57 5.402 5.566 -14.621 1.00 5.19 C ATOM 895 CG GLU A 57 4.788 5.766 -13.211 1.00 5.85 C ATOM 896 CD GLU A 57 3.465 6.528 -13.322 1.00 5.80 C ATOM 897 OE1 GLU A 57 3.514 7.615 -13.857 1.00 6.66 O ATOM 898 OE2 GLU A 57 2.471 5.957 -12.890 1.00 5.62 O ATOM 0 H GLU A 57 2.854 4.658 -14.246 1.00 3.24 H new ATOM 0 HA GLU A 57 4.858 4.576 -16.481 1.00 3.65 H new ATOM 0 HB2 GLU A 57 6.445 5.265 -14.528 1.00 5.19 H new ATOM 0 HB3 GLU A 57 5.390 6.511 -15.164 1.00 5.19 H new ATOM 0 HG2 GLU A 57 4.622 4.799 -12.737 1.00 5.85 H new ATOM 0 HG3 GLU A 57 5.483 6.317 -12.577 1.00 5.85 H new ATOM 905 N THR A 58 5.669 2.990 -13.865 1.00 3.29 N ATOM 906 CA THR A 58 6.097 1.658 -13.374 1.00 3.52 C ATOM 907 C THR A 58 5.909 1.587 -11.866 1.00 2.83 C ATOM 908 O THR A 58 5.198 0.735 -11.376 1.00 2.97 O ATOM 909 CB THR A 58 7.569 1.454 -13.763 1.00 5.19 C ATOM 910 OG1 THR A 58 7.580 1.498 -15.189 1.00 5.75 O ATOM 911 CG2 THR A 58 8.071 0.049 -13.420 1.00 6.42 C ATOM 0 H THR A 58 5.923 3.777 -13.268 1.00 3.29 H new ATOM 0 HA THR A 58 5.496 0.867 -13.822 1.00 3.52 H new ATOM 0 HB THR A 58 8.181 2.195 -13.250 1.00 5.19 H new ATOM 0 HG1 THR A 58 8.497 1.375 -15.513 1.00 5.75 H new ATOM 0 HG21 THR A 58 9.116 -0.046 -13.714 1.00 6.42 H new ATOM 0 HG22 THR A 58 7.979 -0.118 -12.347 1.00 6.42 H new ATOM 0 HG23 THR A 58 7.475 -0.691 -13.955 1.00 6.42 H new ATOM 919 N VAL A 59 6.529 2.498 -11.173 1.00 2.52 N ATOM 920 CA VAL A 59 6.410 2.503 -9.691 1.00 2.39 C ATOM 921 C VAL A 59 5.627 3.754 -9.255 1.00 2.14 C ATOM 922 O VAL A 59 5.697 4.773 -9.913 1.00 2.47 O ATOM 923 CB VAL A 59 7.835 2.539 -9.102 1.00 3.48 C ATOM 924 CG1 VAL A 59 7.790 2.437 -7.576 1.00 4.43 C ATOM 925 CG2 VAL A 59 8.654 1.360 -9.641 1.00 3.60 C ATOM 0 H VAL A 59 7.111 3.237 -11.567 1.00 2.52 H new ATOM 0 HA VAL A 59 5.883 1.617 -9.338 1.00 2.39 H new ATOM 0 HB VAL A 59 8.296 3.483 -9.392 1.00 3.48 H new ATOM 0 HG11 VAL A 59 8.805 2.464 -7.179 1.00 4.43 H new ATOM 0 HG12 VAL A 59 7.220 3.274 -7.172 1.00 4.43 H new ATOM 0 HG13 VAL A 59 7.313 1.500 -7.288 1.00 4.43 H new ATOM 0 HG21 VAL A 59 9.659 1.393 -9.220 1.00 3.60 H new ATOM 0 HG22 VAL A 59 8.173 0.424 -9.359 1.00 3.60 H new ATOM 0 HG23 VAL A 59 8.713 1.425 -10.727 1.00 3.60 H new ATOM 935 N PRO A 60 4.933 3.677 -8.131 1.00 2.20 N ATOM 936 CA PRO A 60 4.584 2.419 -7.413 1.00 2.01 C ATOM 937 C PRO A 60 3.157 1.948 -7.755 1.00 1.31 C ATOM 938 O PRO A 60 2.427 2.639 -8.435 1.00 1.21 O ATOM 939 CB PRO A 60 4.674 2.824 -5.939 1.00 2.68 C ATOM 940 CG PRO A 60 4.676 4.377 -5.901 1.00 3.06 C ATOM 941 CD PRO A 60 4.573 4.871 -7.356 1.00 2.91 C ATOM 0 HA PRO A 60 5.238 1.589 -7.680 1.00 2.01 H new ATOM 0 HB2 PRO A 60 3.831 2.424 -5.376 1.00 2.68 H new ATOM 0 HB3 PRO A 60 5.580 2.425 -5.483 1.00 2.68 H new ATOM 0 HG2 PRO A 60 3.839 4.748 -5.309 1.00 3.06 H new ATOM 0 HG3 PRO A 60 5.587 4.749 -5.433 1.00 3.06 H new ATOM 0 HD2 PRO A 60 3.568 5.220 -7.594 1.00 2.91 H new ATOM 0 HD3 PRO A 60 5.253 5.700 -7.551 1.00 2.91 H new ATOM 949 N GLN A 61 2.798 0.775 -7.277 1.00 1.17 N ATOM 950 CA GLN A 61 1.427 0.224 -7.536 1.00 0.69 C ATOM 951 C GLN A 61 0.817 -0.256 -6.213 1.00 0.56 C ATOM 952 O GLN A 61 1.372 -1.122 -5.560 1.00 0.64 O ATOM 953 CB GLN A 61 1.507 -0.975 -8.490 1.00 1.27 C ATOM 954 CG GLN A 61 2.306 -0.616 -9.745 1.00 1.81 C ATOM 955 CD GLN A 61 3.787 -0.912 -9.493 1.00 4.16 C ATOM 956 OE1 GLN A 61 4.466 -0.209 -8.781 1.00 5.49 O ATOM 957 NE2 GLN A 61 4.322 -1.954 -10.037 1.00 5.56 N ATOM 0 H GLN A 61 3.401 0.174 -6.715 1.00 1.17 H new ATOM 0 HA GLN A 61 0.814 1.008 -7.982 1.00 0.69 H new ATOM 0 HB2 GLN A 61 1.976 -1.818 -7.983 1.00 1.27 H new ATOM 0 HB3 GLN A 61 0.502 -1.290 -8.771 1.00 1.27 H new ATOM 0 HG2 GLN A 61 1.947 -1.192 -10.598 1.00 1.81 H new ATOM 0 HG3 GLN A 61 2.169 0.437 -9.991 1.00 1.81 H new ATOM 0 HE21 GLN A 61 3.764 -2.558 -10.640 1.00 5.56 H new ATOM 0 HE22 GLN A 61 5.303 -2.173 -9.863 1.00 5.56 H new ATOM 966 N ILE A 62 -0.296 0.312 -5.836 1.00 0.50 N ATOM 967 CA ILE A 62 -0.935 -0.103 -4.554 1.00 0.48 C ATOM 968 C ILE A 62 -2.393 -0.479 -4.760 1.00 0.46 C ATOM 969 O ILE A 62 -3.091 0.098 -5.583 1.00 0.51 O ATOM 970 CB ILE A 62 -0.858 1.050 -3.534 1.00 0.60 C ATOM 971 CG1 ILE A 62 0.608 1.444 -3.293 1.00 0.84 C ATOM 972 CG2 ILE A 62 -1.484 0.623 -2.191 1.00 0.65 C ATOM 973 CD1 ILE A 62 1.067 2.422 -4.377 1.00 1.20 C ATOM 0 H ILE A 62 -0.788 1.040 -6.355 1.00 0.50 H new ATOM 0 HA ILE A 62 -0.397 -0.974 -4.181 1.00 0.48 H new ATOM 0 HB ILE A 62 -1.408 1.900 -3.938 1.00 0.60 H new ATOM 0 HG12 ILE A 62 0.714 1.901 -2.309 1.00 0.84 H new ATOM 0 HG13 ILE A 62 1.239 0.555 -3.301 1.00 0.84 H new ATOM 0 HG21 ILE A 62 -1.422 1.448 -1.482 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -2.529 0.356 -2.346 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -0.944 -0.237 -1.795 1.00 0.65 H new ATOM 0 HD11 ILE A 62 2.107 2.698 -4.201 1.00 1.20 H new ATOM 0 HD12 ILE A 62 0.977 1.949 -5.355 1.00 1.20 H new ATOM 0 HD13 ILE A 62 0.444 3.316 -4.348 1.00 1.20 H new ATOM 985 N PHE A 63 -2.790 -1.430 -3.966 1.00 0.45 N ATOM 986 CA PHE A 63 -4.186 -1.951 -3.970 1.00 0.49 C ATOM 987 C PHE A 63 -4.695 -1.877 -2.533 1.00 0.51 C ATOM 988 O PHE A 63 -3.983 -2.291 -1.616 1.00 0.59 O ATOM 989 CB PHE A 63 -4.208 -3.425 -4.410 1.00 0.60 C ATOM 990 CG PHE A 63 -4.019 -3.545 -5.927 1.00 0.64 C ATOM 991 CD1 PHE A 63 -2.835 -3.158 -6.523 1.00 0.76 C ATOM 992 CD2 PHE A 63 -5.036 -4.048 -6.720 1.00 0.85 C ATOM 993 CE1 PHE A 63 -2.668 -3.263 -7.887 1.00 0.89 C ATOM 994 CE2 PHE A 63 -4.871 -4.159 -8.086 1.00 1.03 C ATOM 995 CZ PHE A 63 -3.688 -3.762 -8.669 1.00 0.98 C ATOM 0 H PHE A 63 -2.180 -1.886 -3.287 1.00 0.45 H new ATOM 0 HA PHE A 63 -4.800 -1.367 -4.656 1.00 0.49 H new ATOM 0 HB2 PHE A 63 -3.419 -3.974 -3.896 1.00 0.60 H new ATOM 0 HB3 PHE A 63 -5.154 -3.881 -4.120 1.00 0.60 H new ATOM 0 HD1 PHE A 63 -2.032 -2.769 -5.914 1.00 0.76 H new ATOM 0 HD2 PHE A 63 -5.966 -4.356 -6.266 1.00 0.85 H new ATOM 0 HE1 PHE A 63 -1.739 -2.955 -8.343 1.00 0.89 H new ATOM 0 HE2 PHE A 63 -5.668 -4.556 -8.697 1.00 1.03 H new ATOM 0 HZ PHE A 63 -3.559 -3.842 -9.738 1.00 0.98 H new ATOM 1005 N VAL A 64 -5.885 -1.364 -2.351 1.00 0.51 N ATOM 1006 CA VAL A 64 -6.427 -1.283 -0.962 1.00 0.62 C ATOM 1007 C VAL A 64 -7.850 -1.825 -0.923 1.00 1.10 C ATOM 1008 O VAL A 64 -8.610 -1.719 -1.885 1.00 1.34 O ATOM 1009 CB VAL A 64 -6.427 0.171 -0.448 1.00 0.74 C ATOM 1010 CG1 VAL A 64 -7.043 0.222 0.952 1.00 0.88 C ATOM 1011 CG2 VAL A 64 -5.001 0.699 -0.323 1.00 0.81 C ATOM 0 H VAL A 64 -6.493 -1.005 -3.087 1.00 0.51 H new ATOM 0 HA VAL A 64 -5.784 -1.883 -0.319 1.00 0.62 H new ATOM 0 HB VAL A 64 -6.996 0.773 -1.157 1.00 0.74 H new ATOM 0 HG11 VAL A 64 -7.042 1.251 1.313 1.00 0.88 H new ATOM 0 HG12 VAL A 64 -8.068 -0.147 0.912 1.00 0.88 H new ATOM 0 HG13 VAL A 64 -6.459 -0.401 1.629 1.00 0.88 H new ATOM 0 HG21 VAL A 64 -5.024 1.726 0.041 1.00 0.81 H new ATOM 0 HG22 VAL A 64 -4.443 0.078 0.378 1.00 0.81 H new ATOM 0 HG23 VAL A 64 -4.516 0.671 -1.299 1.00 0.81 H new ATOM 1021 N ASP A 65 -8.176 -2.355 0.233 1.00 1.61 N ATOM 1022 CA ASP A 65 -9.524 -2.932 0.463 1.00 2.21 C ATOM 1023 C ASP A 65 -9.728 -4.062 -0.536 1.00 1.89 C ATOM 1024 O ASP A 65 -9.385 -5.196 -0.253 1.00 2.20 O ATOM 1025 CB ASP A 65 -10.590 -1.820 0.315 1.00 2.66 C ATOM 1026 CG ASP A 65 -11.983 -2.430 0.203 1.00 3.65 C ATOM 1027 OD1 ASP A 65 -12.415 -2.978 1.197 1.00 3.74 O ATOM 1028 OD2 ASP A 65 -12.528 -2.337 -0.885 1.00 5.01 O ATOM 0 H ASP A 65 -7.549 -2.409 1.035 1.00 1.61 H new ATOM 0 HA ASP A 65 -9.619 -3.337 1.470 1.00 2.21 H new ATOM 0 HB2 ASP A 65 -10.547 -1.150 1.174 1.00 2.66 H new ATOM 0 HB3 ASP A 65 -10.377 -1.219 -0.569 1.00 2.66 H new ATOM 1033 N GLN A 66 -10.235 -3.718 -1.677 1.00 1.79 N ATOM 1034 CA GLN A 66 -10.482 -4.743 -2.728 1.00 1.69 C ATOM 1035 C GLN A 66 -10.109 -4.236 -4.126 1.00 1.16 C ATOM 1036 O GLN A 66 -9.949 -5.029 -5.035 1.00 1.33 O ATOM 1037 CB GLN A 66 -11.970 -5.110 -2.696 1.00 2.16 C ATOM 1038 CG GLN A 66 -12.336 -5.690 -1.319 1.00 3.07 C ATOM 1039 CD GLN A 66 -13.839 -5.559 -1.105 1.00 4.25 C ATOM 1040 OE1 GLN A 66 -14.286 -4.533 -0.453 1.00 4.58 O flip ATOM 1041 NE2 GLN A 66 -14.617 -6.375 -1.549 1.00 5.53 N flip ATOM 0 H GLN A 66 -10.493 -2.765 -1.934 1.00 1.79 H new ATOM 0 HA GLN A 66 -9.857 -5.612 -2.522 1.00 1.69 H new ATOM 0 HB2 GLN A 66 -12.576 -4.227 -2.901 1.00 2.16 H new ATOM 0 HB3 GLN A 66 -12.191 -5.837 -3.477 1.00 2.16 H new ATOM 0 HG2 GLN A 66 -12.038 -6.737 -1.261 1.00 3.07 H new ATOM 0 HG3 GLN A 66 -11.797 -5.161 -0.533 1.00 3.07 H new ATOM 0 HE21 GLN A 66 -14.269 -7.184 -2.063 1.00 5.53 H new ATOM 0 HE22 GLN A 66 -15.620 -6.252 -1.409 1.00 5.53 H new ATOM 1050 N GLN A 67 -9.954 -2.942 -4.282 1.00 0.94 N ATOM 1051 CA GLN A 67 -9.637 -2.397 -5.619 1.00 0.85 C ATOM 1052 C GLN A 67 -8.217 -1.852 -5.721 1.00 0.66 C ATOM 1053 O GLN A 67 -7.512 -1.712 -4.730 1.00 0.63 O ATOM 1054 CB GLN A 67 -10.613 -1.249 -5.892 1.00 1.41 C ATOM 1055 CG GLN A 67 -10.405 -0.077 -4.909 1.00 1.70 C ATOM 1056 CD GLN A 67 -11.465 -0.156 -3.812 1.00 2.54 C ATOM 1057 OE1 GLN A 67 -11.144 -0.641 -2.651 1.00 3.13 O flip ATOM 1058 NE2 GLN A 67 -12.605 0.203 -4.017 1.00 3.59 N flip ATOM 0 H GLN A 67 -10.035 -2.250 -3.537 1.00 0.94 H new ATOM 0 HA GLN A 67 -9.724 -3.207 -6.343 1.00 0.85 H new ATOM 0 HB2 GLN A 67 -10.481 -0.894 -6.914 1.00 1.41 H new ATOM 0 HB3 GLN A 67 -11.637 -1.615 -5.811 1.00 1.41 H new ATOM 0 HG2 GLN A 67 -9.407 -0.124 -4.473 1.00 1.70 H new ATOM 0 HG3 GLN A 67 -10.478 0.874 -5.436 1.00 1.70 H new ATOM 0 HE21 GLN A 67 -12.864 0.585 -4.927 1.00 3.59 H new ATOM 0 HE22 GLN A 67 -13.305 0.123 -3.280 1.00 3.59 H new ATOM 1067 N HIS A 68 -7.866 -1.520 -6.932 1.00 0.80 N ATOM 1068 CA HIS A 68 -6.527 -0.942 -7.183 1.00 0.76 C ATOM 1069 C HIS A 68 -6.636 0.533 -6.821 1.00 0.65 C ATOM 1070 O HIS A 68 -7.717 1.093 -6.890 1.00 0.73 O ATOM 1071 CB HIS A 68 -6.173 -1.078 -8.659 1.00 1.01 C ATOM 1072 CG HIS A 68 -5.002 -0.190 -9.060 1.00 1.02 C ATOM 1073 ND1 HIS A 68 -5.137 0.718 -9.981 1.00 1.12 N ATOM 1074 CD2 HIS A 68 -3.721 -0.090 -8.589 1.00 1.13 C ATOM 1075 CE1 HIS A 68 -4.011 1.372 -10.092 1.00 1.20 C ATOM 1076 NE2 HIS A 68 -3.149 0.876 -9.238 1.00 1.23 N ATOM 0 H HIS A 68 -8.455 -1.626 -7.758 1.00 0.80 H new ATOM 0 HA HIS A 68 -5.756 -1.448 -6.602 1.00 0.76 H new ATOM 0 HB2 HIS A 68 -5.928 -2.118 -8.877 1.00 1.01 H new ATOM 0 HB3 HIS A 68 -7.043 -0.822 -9.264 1.00 1.01 H new ATOM 0 HD1 HIS A 68 -5.981 0.891 -10.526 1.00 1.12 H new ATOM 0 HD2 HIS A 68 -3.271 -0.701 -7.821 1.00 1.13 H new ATOM 0 HE1 HIS A 68 -3.822 2.187 -10.775 1.00 1.20 H new ATOM 1084 N ILE A 69 -5.553 1.137 -6.449 1.00 0.59 N ATOM 1085 CA ILE A 69 -5.639 2.573 -6.066 1.00 0.63 C ATOM 1086 C ILE A 69 -4.818 3.415 -7.033 1.00 0.78 C ATOM 1087 O ILE A 69 -5.266 4.444 -7.500 1.00 1.01 O ATOM 1088 CB ILE A 69 -5.120 2.729 -4.625 1.00 0.64 C ATOM 1089 CG1 ILE A 69 -5.653 1.585 -3.735 1.00 0.75 C ATOM 1090 CG2 ILE A 69 -5.603 4.069 -4.061 1.00 0.72 C ATOM 1091 CD1 ILE A 69 -7.189 1.594 -3.653 1.00 0.83 C ATOM 0 H ILE A 69 -4.626 0.714 -6.392 1.00 0.59 H new ATOM 0 HA ILE A 69 -6.672 2.916 -6.114 1.00 0.63 H new ATOM 0 HB ILE A 69 -4.031 2.693 -4.634 1.00 0.64 H new ATOM 0 HG12 ILE A 69 -5.316 0.628 -4.133 1.00 0.75 H new ATOM 0 HG13 ILE A 69 -5.235 1.679 -2.733 1.00 0.75 H new ATOM 0 HG21 ILE A 69 -5.239 4.186 -3.040 1.00 0.72 H new ATOM 0 HG22 ILE A 69 -5.221 4.882 -4.678 1.00 0.72 H new ATOM 0 HG23 ILE A 69 -6.693 4.093 -4.063 1.00 0.72 H new ATOM 0 HD11 ILE A 69 -7.524 0.774 -3.018 1.00 0.83 H new ATOM 0 HD12 ILE A 69 -7.525 2.541 -3.231 1.00 0.83 H new ATOM 0 HD13 ILE A 69 -7.607 1.473 -4.652 1.00 0.83 H new ATOM 1103 N GLY A 70 -3.644 2.944 -7.342 1.00 0.82 N ATOM 1104 CA GLY A 70 -2.752 3.695 -8.275 1.00 1.07 C ATOM 1105 C GLY A 70 -1.316 3.618 -7.776 1.00 0.87 C ATOM 1106 O GLY A 70 -0.845 2.541 -7.456 1.00 1.75 O ATOM 0 H GLY A 70 -3.260 2.068 -6.989 1.00 0.82 H new ATOM 0 HA2 GLY A 70 -2.822 3.276 -9.279 1.00 1.07 H new ATOM 0 HA3 GLY A 70 -3.070 4.735 -8.341 1.00 1.07 H new ATOM 1110 N GLY A 71 -0.658 4.746 -7.716 1.00 0.90 N ATOM 1111 CA GLY A 71 0.760 4.784 -7.238 1.00 0.93 C ATOM 1112 C GLY A 71 0.860 5.509 -5.890 1.00 0.86 C ATOM 1113 O GLY A 71 -0.086 5.547 -5.137 1.00 1.44 O ATOM 0 H GLY A 71 -1.044 5.652 -7.980 1.00 0.90 H new ATOM 0 HA2 GLY A 71 1.143 3.768 -7.139 1.00 0.93 H new ATOM 0 HA3 GLY A 71 1.384 5.289 -7.975 1.00 0.93 H new ATOM 1117 N TYR A 72 2.010 6.071 -5.600 1.00 0.96 N ATOM 1118 CA TYR A 72 2.167 6.769 -4.290 1.00 0.87 C ATOM 1119 C TYR A 72 1.131 7.876 -4.133 1.00 0.77 C ATOM 1120 O TYR A 72 0.404 7.900 -3.170 1.00 0.95 O ATOM 1121 CB TYR A 72 3.571 7.377 -4.159 1.00 1.11 C ATOM 1122 CG TYR A 72 3.757 7.799 -2.697 1.00 1.01 C ATOM 1123 CD1 TYR A 72 3.651 6.853 -1.703 1.00 0.85 C ATOM 1124 CD2 TYR A 72 3.984 9.114 -2.343 1.00 1.41 C ATOM 1125 CE1 TYR A 72 3.761 7.202 -0.380 1.00 0.92 C ATOM 1126 CE2 TYR A 72 4.095 9.466 -1.012 1.00 1.52 C ATOM 1127 CZ TYR A 72 3.977 8.514 -0.023 1.00 1.22 C ATOM 1128 OH TYR A 72 4.020 8.880 1.307 1.00 1.53 O ATOM 0 H TYR A 72 2.832 6.076 -6.204 1.00 0.96 H new ATOM 0 HA TYR A 72 2.020 6.025 -3.507 1.00 0.87 H new ATOM 0 HB2 TYR A 72 4.331 6.651 -4.448 1.00 1.11 H new ATOM 0 HB3 TYR A 72 3.681 8.235 -4.822 1.00 1.11 H new ATOM 0 HD1 TYR A 72 3.479 5.820 -1.968 1.00 0.85 H new ATOM 0 HD2 TYR A 72 4.075 9.870 -3.109 1.00 1.41 H new ATOM 0 HE1 TYR A 72 3.678 6.444 0.385 1.00 0.92 H new ATOM 0 HE2 TYR A 72 4.276 10.497 -0.744 1.00 1.52 H new ATOM 0 HH TYR A 72 3.430 9.649 1.454 1.00 1.53 H new ATOM 1138 N THR A 73 1.110 8.780 -5.063 1.00 0.84 N ATOM 1139 CA THR A 73 0.129 9.893 -4.991 1.00 0.97 C ATOM 1140 C THR A 73 -1.280 9.352 -4.697 1.00 0.92 C ATOM 1141 O THR A 73 -2.012 9.902 -3.894 1.00 1.17 O ATOM 1142 CB THR A 73 0.188 10.627 -6.343 1.00 1.21 C ATOM 1143 OG1 THR A 73 0.529 9.623 -7.309 1.00 1.24 O ATOM 1144 CG2 THR A 73 1.379 11.594 -6.389 1.00 1.38 C ATOM 0 H THR A 73 1.730 8.798 -5.873 1.00 0.84 H new ATOM 0 HA THR A 73 0.369 10.581 -4.180 1.00 0.97 H new ATOM 0 HB THR A 73 -0.751 11.154 -6.511 1.00 1.21 H new ATOM 0 HG1 THR A 73 -0.182 8.950 -7.346 1.00 1.24 H new ATOM 0 HG21 THR A 73 1.399 12.101 -7.354 1.00 1.38 H new ATOM 0 HG22 THR A 73 1.279 12.332 -5.594 1.00 1.38 H new ATOM 0 HG23 THR A 73 2.306 11.037 -6.252 1.00 1.38 H new ATOM 1152 N ASP A 74 -1.574 8.234 -5.288 1.00 0.94 N ATOM 1153 CA ASP A 74 -2.909 7.602 -5.112 1.00 1.12 C ATOM 1154 C ASP A 74 -3.032 7.009 -3.713 1.00 1.00 C ATOM 1155 O ASP A 74 -3.901 7.383 -2.969 1.00 1.05 O ATOM 1156 CB ASP A 74 -3.059 6.493 -6.156 1.00 1.37 C ATOM 1157 CG ASP A 74 -2.646 7.017 -7.534 1.00 1.49 C ATOM 1158 OD1 ASP A 74 -1.480 7.389 -7.669 1.00 2.48 O ATOM 1159 OD2 ASP A 74 -3.507 7.005 -8.386 1.00 2.45 O ATOM 0 H ASP A 74 -0.936 7.721 -5.897 1.00 0.94 H new ATOM 0 HA ASP A 74 -3.691 8.351 -5.239 1.00 1.12 H new ATOM 0 HB2 ASP A 74 -2.441 5.638 -5.882 1.00 1.37 H new ATOM 0 HB3 ASP A 74 -4.091 6.145 -6.184 1.00 1.37 H new ATOM 1164 N PHE A 75 -2.161 6.094 -3.388 1.00 0.93 N ATOM 1165 CA PHE A 75 -2.205 5.469 -2.029 1.00 0.93 C ATOM 1166 C PHE A 75 -2.226 6.590 -0.978 1.00 0.71 C ATOM 1167 O PHE A 75 -3.014 6.583 -0.063 1.00 0.75 O ATOM 1168 CB PHE A 75 -0.965 4.584 -1.870 1.00 1.04 C ATOM 1169 CG PHE A 75 -0.956 3.815 -0.534 1.00 1.11 C ATOM 1170 CD1 PHE A 75 -2.087 3.693 0.265 1.00 1.30 C ATOM 1171 CD2 PHE A 75 0.223 3.218 -0.111 1.00 1.36 C ATOM 1172 CE1 PHE A 75 -2.033 2.994 1.453 1.00 1.39 C ATOM 1173 CE2 PHE A 75 0.272 2.520 1.077 1.00 1.48 C ATOM 1174 CZ PHE A 75 -0.856 2.407 1.860 1.00 1.35 C ATOM 0 H PHE A 75 -1.421 5.750 -4.000 1.00 0.93 H new ATOM 0 HA PHE A 75 -3.096 4.854 -1.899 1.00 0.93 H new ATOM 0 HB2 PHE A 75 -0.922 3.873 -2.695 1.00 1.04 H new ATOM 0 HB3 PHE A 75 -0.070 5.203 -1.935 1.00 1.04 H new ATOM 0 HD1 PHE A 75 -3.015 4.149 -0.047 1.00 1.30 H new ATOM 0 HD2 PHE A 75 1.112 3.301 -0.719 1.00 1.36 H new ATOM 0 HE1 PHE A 75 -2.918 2.907 2.066 1.00 1.39 H new ATOM 0 HE2 PHE A 75 1.197 2.061 1.394 1.00 1.48 H new ATOM 0 HZ PHE A 75 -0.817 1.860 2.790 1.00 1.35 H new ATOM 1184 N ALA A 76 -1.368 7.544 -1.178 1.00 0.60 N ATOM 1185 CA ALA A 76 -1.288 8.707 -0.257 1.00 0.66 C ATOM 1186 C ALA A 76 -2.666 9.361 -0.149 1.00 0.79 C ATOM 1187 O ALA A 76 -3.241 9.450 0.919 1.00 0.85 O ATOM 1188 CB ALA A 76 -0.279 9.703 -0.842 1.00 0.84 C ATOM 0 H ALA A 76 -0.707 7.568 -1.954 1.00 0.60 H new ATOM 0 HA ALA A 76 -0.971 8.393 0.737 1.00 0.66 H new ATOM 0 HB1 ALA A 76 -0.200 10.569 -0.185 1.00 0.84 H new ATOM 0 HB2 ALA A 76 0.696 9.224 -0.930 1.00 0.84 H new ATOM 0 HB3 ALA A 76 -0.615 10.025 -1.828 1.00 0.84 H new ATOM 1194 N ALA A 77 -3.191 9.791 -1.266 1.00 0.94 N ATOM 1195 CA ALA A 77 -4.531 10.438 -1.234 1.00 1.20 C ATOM 1196 C ALA A 77 -5.571 9.488 -0.644 1.00 1.13 C ATOM 1197 O ALA A 77 -6.221 9.847 0.303 1.00 1.15 O ATOM 1198 CB ALA A 77 -4.946 10.839 -2.650 1.00 1.45 C ATOM 0 H ALA A 77 -2.756 9.723 -2.186 1.00 0.94 H new ATOM 0 HA ALA A 77 -4.473 11.327 -0.606 1.00 1.20 H new ATOM 0 HB1 ALA A 77 -5.928 11.312 -2.621 1.00 1.45 H new ATOM 0 HB2 ALA A 77 -4.217 11.539 -3.058 1.00 1.45 H new ATOM 0 HB3 ALA A 77 -4.989 9.952 -3.281 1.00 1.45 H new ATOM 1204 N TRP A 78 -5.699 8.304 -1.198 1.00 1.15 N ATOM 1205 CA TRP A 78 -6.710 7.338 -0.649 1.00 1.17 C ATOM 1206 C TRP A 78 -6.603 7.313 0.868 1.00 0.93 C ATOM 1207 O TRP A 78 -7.592 7.500 1.557 1.00 0.96 O ATOM 1208 CB TRP A 78 -6.475 5.911 -1.167 1.00 1.33 C ATOM 1209 CG TRP A 78 -7.471 4.861 -0.640 1.00 1.40 C ATOM 1210 CD1 TRP A 78 -8.608 4.440 -1.272 1.00 1.65 C ATOM 1211 CD2 TRP A 78 -7.496 4.194 0.573 1.00 1.31 C ATOM 1212 NE1 TRP A 78 -9.260 3.599 -0.520 1.00 1.65 N ATOM 1213 CE2 TRP A 78 -8.639 3.410 0.622 1.00 1.46 C ATOM 1214 CE3 TRP A 78 -6.620 4.229 1.645 1.00 1.25 C ATOM 1215 CZ2 TRP A 78 -8.928 2.656 1.726 1.00 1.49 C ATOM 1216 CZ3 TRP A 78 -6.932 3.466 2.765 1.00 1.39 C ATOM 1217 CH2 TRP A 78 -8.076 2.685 2.806 1.00 1.48 C ATOM 0 H TRP A 78 -5.157 7.967 -1.994 1.00 1.15 H new ATOM 0 HA TRP A 78 -7.696 7.671 -0.973 1.00 1.17 H new ATOM 0 HB2 TRP A 78 -6.523 5.922 -2.256 1.00 1.33 H new ATOM 0 HB3 TRP A 78 -5.466 5.602 -0.895 1.00 1.33 H new ATOM 0 HD1 TRP A 78 -8.921 4.759 -2.255 1.00 1.65 H new ATOM 0 HE1 TRP A 78 -10.136 3.148 -0.783 1.00 1.65 H new ATOM 0 HE3 TRP A 78 -5.723 4.830 1.612 1.00 1.25 H new ATOM 0 HZ2 TRP A 78 -9.817 2.043 1.750 1.00 1.49 H new ATOM 0 HZ3 TRP A 78 -6.271 3.482 3.619 1.00 1.39 H new ATOM 0 HH2 TRP A 78 -8.299 2.099 3.686 1.00 1.48 H new ATOM 1228 N VAL A 79 -5.397 7.069 1.344 1.00 0.76 N ATOM 1229 CA VAL A 79 -5.171 7.038 2.813 1.00 0.67 C ATOM 1230 C VAL A 79 -5.831 8.261 3.420 1.00 0.75 C ATOM 1231 O VAL A 79 -6.721 8.157 4.225 1.00 0.90 O ATOM 1232 CB VAL A 79 -3.649 7.035 3.077 1.00 0.63 C ATOM 1233 CG1 VAL A 79 -3.337 7.396 4.536 1.00 0.82 C ATOM 1234 CG2 VAL A 79 -3.105 5.631 2.806 1.00 0.71 C ATOM 0 H VAL A 79 -4.570 6.892 0.773 1.00 0.76 H new ATOM 0 HA VAL A 79 -5.602 6.144 3.264 1.00 0.67 H new ATOM 0 HB VAL A 79 -3.186 7.774 2.423 1.00 0.63 H new ATOM 0 HG11 VAL A 79 -2.258 7.385 4.691 1.00 0.82 H new ATOM 0 HG12 VAL A 79 -3.725 8.390 4.756 1.00 0.82 H new ATOM 0 HG13 VAL A 79 -3.806 6.669 5.199 1.00 0.82 H new ATOM 0 HG21 VAL A 79 -2.031 5.616 2.989 1.00 0.71 H new ATOM 0 HG22 VAL A 79 -3.596 4.917 3.467 1.00 0.71 H new ATOM 0 HG23 VAL A 79 -3.300 5.359 1.769 1.00 0.71 H new ATOM 1244 N LYS A 80 -5.415 9.406 2.979 1.00 0.85 N ATOM 1245 CA LYS A 80 -5.996 10.665 3.517 1.00 1.12 C ATOM 1246 C LYS A 80 -7.536 10.758 3.379 1.00 1.25 C ATOM 1247 O LYS A 80 -8.246 11.029 4.341 1.00 1.69 O ATOM 1248 CB LYS A 80 -5.329 11.801 2.750 1.00 1.31 C ATOM 1249 CG LYS A 80 -5.809 13.128 3.315 1.00 2.06 C ATOM 1250 CD LYS A 80 -6.827 13.742 2.344 1.00 3.35 C ATOM 1251 CE LYS A 80 -7.834 14.603 3.106 1.00 3.43 C ATOM 1252 NZ LYS A 80 -8.819 13.750 3.823 1.00 3.40 N ATOM 0 H LYS A 80 -4.695 9.529 2.267 1.00 0.85 H new ATOM 0 HA LYS A 80 -5.809 10.711 4.590 1.00 1.12 H new ATOM 0 HB2 LYS A 80 -4.245 11.726 2.834 1.00 1.31 H new ATOM 0 HB3 LYS A 80 -5.572 11.733 1.690 1.00 1.31 H new ATOM 0 HG2 LYS A 80 -6.264 12.978 4.294 1.00 2.06 H new ATOM 0 HG3 LYS A 80 -4.966 13.805 3.456 1.00 2.06 H new ATOM 0 HD2 LYS A 80 -6.310 14.348 1.600 1.00 3.35 H new ATOM 0 HD3 LYS A 80 -7.349 12.951 1.805 1.00 3.35 H new ATOM 0 HE2 LYS A 80 -7.310 15.239 3.819 1.00 3.43 H new ATOM 0 HE3 LYS A 80 -8.354 15.263 2.412 1.00 3.43 H new ATOM 0 HZ1 LYS A 80 -9.142 14.240 4.682 1.00 3.40 H new ATOM 0 HZ2 LYS A 80 -9.633 13.564 3.203 1.00 3.40 H new ATOM 0 HZ3 LYS A 80 -8.371 12.849 4.086 1.00 3.40 H new ATOM 1266 N GLU A 81 -8.016 10.586 2.180 1.00 1.22 N ATOM 1267 CA GLU A 81 -9.484 10.695 1.906 1.00 1.38 C ATOM 1268 C GLU A 81 -10.329 9.704 2.706 1.00 1.21 C ATOM 1269 O GLU A 81 -11.450 10.010 3.055 1.00 1.50 O ATOM 1270 CB GLU A 81 -9.746 10.441 0.407 1.00 1.76 C ATOM 1271 CG GLU A 81 -8.960 11.426 -0.475 1.00 2.34 C ATOM 1272 CD GLU A 81 -9.180 11.074 -1.959 1.00 3.71 C ATOM 1273 OE1 GLU A 81 -10.288 11.306 -2.425 1.00 4.76 O ATOM 1274 OE2 GLU A 81 -8.222 10.588 -2.542 1.00 4.36 O ATOM 0 H GLU A 81 -7.447 10.371 1.361 1.00 1.22 H new ATOM 0 HA GLU A 81 -9.777 11.701 2.207 1.00 1.38 H new ATOM 0 HB2 GLU A 81 -9.463 9.419 0.155 1.00 1.76 H new ATOM 0 HB3 GLU A 81 -10.812 10.537 0.201 1.00 1.76 H new ATOM 0 HG2 GLU A 81 -9.288 12.447 -0.280 1.00 2.34 H new ATOM 0 HG3 GLU A 81 -7.898 11.380 -0.233 1.00 2.34 H new ATOM 1281 N ASN A 82 -9.795 8.544 2.962 1.00 1.10 N ATOM 1282 CA ASN A 82 -10.594 7.526 3.707 1.00 1.13 C ATOM 1283 C ASN A 82 -10.227 7.401 5.182 1.00 1.13 C ATOM 1284 O ASN A 82 -11.054 6.989 5.971 1.00 1.32 O ATOM 1285 CB ASN A 82 -10.390 6.163 3.046 1.00 1.34 C ATOM 1286 CG ASN A 82 -10.945 6.185 1.624 1.00 1.30 C ATOM 1287 OD1 ASN A 82 -11.986 5.627 1.347 1.00 1.57 O ATOM 1288 ND2 ASN A 82 -10.280 6.818 0.701 1.00 1.48 N ATOM 0 H ASN A 82 -8.854 8.256 2.694 1.00 1.10 H new ATOM 0 HA ASN A 82 -11.631 7.859 3.666 1.00 1.13 H new ATOM 0 HB2 ASN A 82 -9.329 5.914 3.027 1.00 1.34 H new ATOM 0 HB3 ASN A 82 -10.889 5.389 3.628 1.00 1.34 H new ATOM 0 HD21 ASN A 82 -10.634 6.845 -0.255 1.00 1.48 H new ATOM 0 HD22 ASN A 82 -9.405 7.287 0.934 1.00 1.48 H new ATOM 1295 N LEU A 83 -9.021 7.711 5.548 1.00 1.07 N ATOM 1296 CA LEU A 83 -8.657 7.565 6.990 1.00 1.34 C ATOM 1297 C LEU A 83 -8.863 8.875 7.757 1.00 1.54 C ATOM 1298 O LEU A 83 -9.052 8.847 8.966 1.00 1.73 O ATOM 1299 CB LEU A 83 -7.191 7.118 7.101 1.00 1.42 C ATOM 1300 CG LEU A 83 -6.925 5.854 6.244 1.00 1.30 C ATOM 1301 CD1 LEU A 83 -5.628 5.192 6.711 1.00 1.47 C ATOM 1302 CD2 LEU A 83 -8.061 4.835 6.373 1.00 1.36 C ATOM 0 H LEU A 83 -8.282 8.052 4.933 1.00 1.07 H new ATOM 0 HA LEU A 83 -9.310 6.814 7.435 1.00 1.34 H new ATOM 0 HB2 LEU A 83 -6.536 7.926 6.775 1.00 1.42 H new ATOM 0 HB3 LEU A 83 -6.949 6.912 8.143 1.00 1.42 H new ATOM 0 HG LEU A 83 -6.853 6.167 5.202 1.00 1.30 H new ATOM 0 HD11 LEU A 83 -5.437 4.302 6.111 1.00 1.47 H new ATOM 0 HD12 LEU A 83 -4.800 5.892 6.596 1.00 1.47 H new ATOM 0 HD13 LEU A 83 -5.721 4.909 7.760 1.00 1.47 H new ATOM 0 HD21 LEU A 83 -7.839 3.963 5.758 1.00 1.36 H new ATOM 0 HD22 LEU A 83 -8.159 4.529 7.415 1.00 1.36 H new ATOM 0 HD23 LEU A 83 -8.995 5.287 6.038 1.00 1.36 H new ATOM 1314 N ASP A 84 -8.860 9.977 7.046 1.00 1.70 N ATOM 1315 CA ASP A 84 -9.054 11.290 7.733 1.00 2.01 C ATOM 1316 C ASP A 84 -10.410 11.855 7.332 1.00 2.55 C ATOM 1317 O ASP A 84 -11.202 12.233 8.177 1.00 3.09 O ATOM 1318 CB ASP A 84 -7.965 12.289 7.291 1.00 2.67 C ATOM 1319 CG ASP A 84 -6.553 11.687 7.352 1.00 3.06 C ATOM 1320 OD1 ASP A 84 -6.396 10.645 7.967 1.00 3.05 O ATOM 1321 OD2 ASP A 84 -5.687 12.339 6.795 1.00 4.28 O ATOM 0 H ASP A 84 -8.734 10.024 6.035 1.00 1.70 H new ATOM 0 HA ASP A 84 -8.996 11.140 8.811 1.00 2.01 H new ATOM 0 HB2 ASP A 84 -8.172 12.620 6.273 1.00 2.67 H new ATOM 0 HB3 ASP A 84 -8.007 13.173 7.928 1.00 2.67 H new