USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 27 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.0668 K(o=-0.067,f=0.48) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.973 K(o=0.97,f=-0.43) USER MOD Single : A 12 ASN : amide:sc= 0.0598 K(o=0.06,f=-2.4!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.281 USER MOD Single : A 17 MET CE :methyl -174:sc= -0.14 (180deg=-0.262) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.414 K(o=0.41,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0289 (180deg=-0.252) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.724 K(o=-0.72,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.492 K(o=0.49,f=-6.5!) USER MOD Single : A 53 GLN : amide:sc= -0.86 X(o=-0.86,f=-0.66) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0397 K(o=-0.04,f=-1.2) USER MOD Single : A 74 THR OG1 : rot -110:sc= -0.167 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.07 (180deg=0.889) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.196 9.649 -1.577 1.00 22.52 N ATOM 43 CA ASP A 4 9.046 8.350 -0.970 1.00 50.42 C ATOM 44 C ASP A 4 7.630 8.095 -0.527 1.00 44.45 C ATOM 45 O ASP A 4 7.272 8.264 0.650 1.00 30.33 O ATOM 46 CB ASP A 4 10.035 8.128 0.151 1.00 44.21 C ATOM 47 CG ASP A 4 11.450 8.121 -0.388 1.00 62.35 C ATOM 48 OD1 ASP A 4 12.045 9.213 -0.535 1.00 50.44 O ATOM 49 OD2 ASP A 4 11.959 7.033 -0.717 1.00 30.13 O ATOM 0 HA ASP A 4 9.275 7.616 -1.742 1.00 50.42 H new ATOM 0 HB2 ASP A 4 9.928 8.913 0.900 1.00 44.21 H new ATOM 0 HB3 ASP A 4 9.824 7.182 0.649 1.00 44.21 H new ATOM 54 N THR A 5 6.851 7.658 -1.486 1.00 2.00 N ATOM 55 CA THR A 5 5.499 7.206 -1.251 1.00 24.31 C ATOM 56 C THR A 5 5.361 5.884 -1.994 1.00 1.12 C ATOM 57 O THR A 5 5.402 5.861 -3.224 1.00 30.52 O ATOM 58 CB THR A 5 4.499 8.294 -1.675 1.00 62.15 C ATOM 59 OG1 THR A 5 4.829 9.529 -1.058 1.00 3.11 O ATOM 60 CG2 THR A 5 3.056 7.952 -1.301 1.00 64.22 C ATOM 0 H THR A 5 7.140 7.605 -2.463 1.00 2.00 H new ATOM 0 HA THR A 5 5.278 7.033 -0.198 1.00 24.31 H new ATOM 0 HB THR A 5 4.568 8.364 -2.761 1.00 62.15 H new ATOM 0 HG1 THR A 5 4.187 10.215 -1.336 1.00 3.11 H new ATOM 0 HG21 THR A 5 2.396 8.756 -1.625 1.00 64.22 H new ATOM 0 HG22 THR A 5 2.764 7.023 -1.790 1.00 64.22 H new ATOM 0 HG23 THR A 5 2.979 7.833 -0.220 1.00 64.22 H new ATOM 68 N ILE A 6 5.307 4.769 -1.270 1.00 24.42 N ATOM 69 CA ILE A 6 5.027 3.476 -1.882 1.00 43.31 C ATOM 70 C ILE A 6 3.503 3.434 -2.013 1.00 62.44 C ATOM 71 O ILE A 6 2.785 3.660 -1.038 1.00 5.00 O ATOM 72 CB ILE A 6 5.622 2.311 -1.057 1.00 23.13 C ATOM 73 CG1 ILE A 6 7.134 2.518 -0.816 1.00 22.40 C ATOM 74 CG2 ILE A 6 5.337 0.956 -1.731 1.00 73.51 C ATOM 75 CD1 ILE A 6 7.768 1.434 0.057 1.00 21.32 C ATOM 0 H ILE A 6 5.453 4.736 -0.261 1.00 24.42 H new ATOM 0 HA ILE A 6 5.498 3.356 -2.858 1.00 43.31 H new ATOM 0 HB ILE A 6 5.133 2.302 -0.083 1.00 23.13 H new ATOM 0 HG12 ILE A 6 7.647 2.544 -1.778 1.00 22.40 H new ATOM 0 HG13 ILE A 6 7.289 3.489 -0.345 1.00 22.40 H new ATOM 0 HG21 ILE A 6 5.766 0.154 -1.131 1.00 73.51 H new ATOM 0 HG22 ILE A 6 4.260 0.811 -1.815 1.00 73.51 H new ATOM 0 HG23 ILE A 6 5.783 0.943 -2.725 1.00 73.51 H new ATOM 0 HD11 ILE A 6 8.830 1.644 0.184 1.00 21.32 H new ATOM 0 HD12 ILE A 6 7.282 1.422 1.032 1.00 21.32 H new ATOM 0 HD13 ILE A 6 7.645 0.463 -0.422 1.00 21.32 H new ATOM 87 N ILE A 7 2.999 3.214 -3.220 1.00 44.25 N ATOM 88 CA ILE A 7 1.577 3.068 -3.500 1.00 10.44 C ATOM 89 C ILE A 7 1.219 1.590 -3.614 1.00 1.30 C ATOM 90 O ILE A 7 1.950 0.813 -4.226 1.00 54.13 O ATOM 91 CB ILE A 7 1.141 3.987 -4.667 1.00 43.25 C ATOM 92 CG1 ILE A 7 1.483 5.451 -4.345 1.00 32.34 C ATOM 93 CG2 ILE A 7 -0.337 3.861 -5.062 1.00 22.43 C ATOM 94 CD1 ILE A 7 2.766 5.915 -5.012 1.00 1.11 C ATOM 0 H ILE A 7 3.583 3.130 -4.052 1.00 44.25 H new ATOM 0 HA ILE A 7 0.975 3.429 -2.666 1.00 10.44 H new ATOM 0 HB ILE A 7 1.705 3.647 -5.535 1.00 43.25 H new ATOM 0 HG12 ILE A 7 0.660 6.091 -4.665 1.00 32.34 H new ATOM 0 HG13 ILE A 7 1.577 5.569 -3.265 1.00 32.34 H new ATOM 0 HG21 ILE A 7 -0.552 4.541 -5.886 1.00 22.43 H new ATOM 0 HG22 ILE A 7 -0.545 2.837 -5.372 1.00 22.43 H new ATOM 0 HG23 ILE A 7 -0.965 4.116 -4.208 1.00 22.43 H new ATOM 0 HD11 ILE A 7 2.957 6.955 -4.749 1.00 1.11 H new ATOM 0 HD12 ILE A 7 3.597 5.297 -4.673 1.00 1.11 H new ATOM 0 HD13 ILE A 7 2.666 5.827 -6.094 1.00 1.11 H new ATOM 106 N LEU A 8 0.092 1.221 -3.001 1.00 24.24 N ATOM 107 CA LEU A 8 -0.609 -0.051 -3.160 1.00 53.33 C ATOM 108 C LEU A 8 -1.670 0.157 -4.235 1.00 45.01 C ATOM 109 O LEU A 8 -2.263 1.233 -4.296 1.00 72.14 O ATOM 110 CB LEU A 8 -1.379 -0.479 -1.897 1.00 21.14 C ATOM 111 CG LEU A 8 -0.556 -0.884 -0.663 1.00 51.02 C ATOM 112 CD1 LEU A 8 -0.173 0.341 0.169 1.00 10.23 C ATOM 113 CD2 LEU A 8 -1.392 -1.814 0.230 1.00 44.12 C ATOM 0 H LEU A 8 -0.382 1.839 -2.343 1.00 24.24 H new ATOM 0 HA LEU A 8 0.137 -0.811 -3.393 1.00 53.33 H new ATOM 0 HB2 LEU A 8 -2.034 0.343 -1.609 1.00 21.14 H new ATOM 0 HB3 LEU A 8 -2.020 -1.319 -2.163 1.00 21.14 H new ATOM 0 HG LEU A 8 0.347 -1.384 -1.014 1.00 51.02 H new ATOM 0 HD11 LEU A 8 0.408 0.025 1.035 1.00 10.23 H new ATOM 0 HD12 LEU A 8 0.423 1.022 -0.439 1.00 10.23 H new ATOM 0 HD13 LEU A 8 -1.077 0.850 0.504 1.00 10.23 H new ATOM 0 HD21 LEU A 8 -0.808 -2.101 1.104 1.00 44.12 H new ATOM 0 HD22 LEU A 8 -2.295 -1.295 0.551 1.00 44.12 H new ATOM 0 HD23 LEU A 8 -1.667 -2.707 -0.331 1.00 44.12 H new ATOM 125 N ARG A 9 -1.998 -0.883 -4.998 1.00 52.11 N ATOM 126 CA ARG A 9 -3.011 -0.893 -6.057 1.00 34.33 C ATOM 127 C ARG A 9 -3.731 -2.235 -5.997 1.00 50.25 C ATOM 128 O ARG A 9 -3.312 -3.121 -5.248 1.00 10.20 O ATOM 129 CB ARG A 9 -2.336 -0.751 -7.434 1.00 33.44 C ATOM 130 CG ARG A 9 -1.552 0.537 -7.681 1.00 42.42 C ATOM 131 CD ARG A 9 -0.459 0.345 -8.741 1.00 22.32 C ATOM 132 NE ARG A 9 -0.762 0.987 -10.026 1.00 14.41 N ATOM 133 CZ ARG A 9 -1.468 0.458 -11.029 1.00 70.52 C ATOM 134 NH1 ARG A 9 -2.193 -0.642 -10.852 1.00 61.52 N ATOM 135 NH2 ARG A 9 -1.429 1.044 -12.216 1.00 21.32 N ATOM 0 H ARG A 9 -1.542 -1.789 -4.891 1.00 52.11 H new ATOM 0 HA ARG A 9 -3.707 -0.066 -5.917 1.00 34.33 H new ATOM 0 HB2 ARG A 9 -1.658 -1.594 -7.570 1.00 33.44 H new ATOM 0 HB3 ARG A 9 -3.106 -0.834 -8.201 1.00 33.44 H new ATOM 0 HG2 ARG A 9 -2.236 1.323 -8.002 1.00 42.42 H new ATOM 0 HG3 ARG A 9 -1.099 0.871 -6.748 1.00 42.42 H new ATOM 0 HD2 ARG A 9 0.480 0.745 -8.358 1.00 22.32 H new ATOM 0 HD3 ARG A 9 -0.308 -0.722 -8.905 1.00 22.32 H new ATOM 0 HE ARG A 9 -0.398 1.929 -10.167 1.00 14.41 H new ATOM 0 HH11 ARG A 9 -2.216 -1.096 -9.939 1.00 61.52 H new ATOM 0 HH12 ARG A 9 -2.726 -1.032 -11.629 1.00 61.52 H new ATOM 0 HH21 ARG A 9 -0.867 1.884 -12.352 1.00 21.32 H new ATOM 0 HH22 ARG A 9 -1.961 0.655 -12.994 1.00 21.32 H new ATOM 149 N ASN A 10 -4.740 -2.399 -6.853 1.00 53.05 N ATOM 150 CA ASN A 10 -5.591 -3.581 -6.942 1.00 12.23 C ATOM 151 C ASN A 10 -6.161 -3.935 -5.569 1.00 75.41 C ATOM 152 O ASN A 10 -6.072 -5.063 -5.082 1.00 60.13 O ATOM 153 CB ASN A 10 -4.877 -4.755 -7.629 1.00 34.53 C ATOM 154 CG ASN A 10 -5.902 -5.834 -7.959 1.00 71.52 C ATOM 155 OD1 ASN A 10 -6.922 -5.552 -8.576 1.00 62.45 O ATOM 156 ND2 ASN A 10 -5.696 -7.059 -7.525 1.00 61.45 N ATOM 0 H ASN A 10 -4.995 -1.681 -7.531 1.00 53.05 H new ATOM 0 HA ASN A 10 -6.439 -3.348 -7.586 1.00 12.23 H new ATOM 0 HB2 ASN A 10 -4.382 -4.415 -8.539 1.00 34.53 H new ATOM 0 HB3 ASN A 10 -4.102 -5.158 -6.977 1.00 34.53 H new ATOM 0 HD21 ASN A 10 -6.390 -7.786 -7.701 1.00 61.45 H new ATOM 0 HD22 ASN A 10 -4.843 -7.282 -7.012 1.00 61.45 H new ATOM 163 N LEU A 11 -6.704 -2.919 -4.901 1.00 2.20 N ATOM 164 CA LEU A 11 -7.357 -3.079 -3.615 1.00 22.33 C ATOM 165 C LEU A 11 -8.847 -3.264 -3.875 1.00 51.24 C ATOM 166 O LEU A 11 -9.451 -2.442 -4.565 1.00 62.45 O ATOM 167 CB LEU A 11 -7.068 -1.860 -2.728 1.00 73.12 C ATOM 168 CG LEU A 11 -5.579 -1.701 -2.356 1.00 44.15 C ATOM 169 CD1 LEU A 11 -5.331 -0.371 -1.646 1.00 41.23 C ATOM 170 CD2 LEU A 11 -5.063 -2.804 -1.428 1.00 64.23 C ATOM 0 H LEU A 11 -6.700 -1.958 -5.244 1.00 2.20 H new ATOM 0 HA LEU A 11 -6.979 -3.951 -3.082 1.00 22.33 H new ATOM 0 HB2 LEU A 11 -7.402 -0.960 -3.243 1.00 73.12 H new ATOM 0 HB3 LEU A 11 -7.655 -1.940 -1.813 1.00 73.12 H new ATOM 0 HG LEU A 11 -5.046 -1.755 -3.305 1.00 44.15 H new ATOM 0 HD11 LEU A 11 -4.274 -0.284 -1.395 1.00 41.23 H new ATOM 0 HD12 LEU A 11 -5.617 0.451 -2.303 1.00 41.23 H new ATOM 0 HD13 LEU A 11 -5.925 -0.329 -0.733 1.00 41.23 H new ATOM 0 HD21 LEU A 11 -4.010 -2.630 -1.207 1.00 64.23 H new ATOM 0 HD22 LEU A 11 -5.635 -2.796 -0.500 1.00 64.23 H new ATOM 0 HD23 LEU A 11 -5.177 -3.772 -1.915 1.00 64.23 H new ATOM 182 N ASN A 12 -9.445 -4.317 -3.313 1.00 74.51 N ATOM 183 CA ASN A 12 -10.894 -4.532 -3.380 1.00 44.25 C ATOM 184 C ASN A 12 -11.566 -3.440 -2.555 1.00 65.45 C ATOM 185 O ASN A 12 -11.037 -3.129 -1.479 1.00 24.34 O ATOM 186 CB ASN A 12 -11.302 -5.891 -2.778 1.00 15.44 C ATOM 187 CG ASN A 12 -11.628 -6.959 -3.808 1.00 71.23 C ATOM 188 OD1 ASN A 12 -11.363 -6.832 -4.996 1.00 72.35 O ATOM 189 ND2 ASN A 12 -12.157 -8.071 -3.351 1.00 43.42 N ATOM 0 H ASN A 12 -8.942 -5.042 -2.801 1.00 74.51 H new ATOM 0 HA ASN A 12 -11.197 -4.512 -4.427 1.00 44.25 H new ATOM 0 HB2 ASN A 12 -10.493 -6.251 -2.142 1.00 15.44 H new ATOM 0 HB3 ASN A 12 -12.171 -5.745 -2.136 1.00 15.44 H new ATOM 0 HD21 ASN A 12 -12.352 -8.843 -3.989 1.00 43.42 H new ATOM 0 HD22 ASN A 12 -12.373 -8.163 -2.358 1.00 43.42 H new ATOM 196 N PRO A 13 -12.744 -2.941 -2.958 1.00 54.03 N ATOM 197 CA PRO A 13 -13.415 -1.816 -2.316 1.00 45.43 C ATOM 198 C PRO A 13 -13.887 -2.148 -0.905 1.00 42.03 C ATOM 199 O PRO A 13 -13.874 -1.261 -0.056 1.00 53.34 O ATOM 200 CB PRO A 13 -14.603 -1.478 -3.221 1.00 61.44 C ATOM 201 CG PRO A 13 -14.887 -2.758 -3.989 1.00 74.15 C ATOM 202 CD PRO A 13 -13.536 -3.447 -4.069 1.00 2.20 C ATOM 0 HA PRO A 13 -12.731 -0.975 -2.201 1.00 45.43 H new ATOM 0 HB2 PRO A 13 -15.469 -1.168 -2.636 1.00 61.44 H new ATOM 0 HB3 PRO A 13 -14.364 -0.657 -3.897 1.00 61.44 H new ATOM 0 HG2 PRO A 13 -15.621 -3.378 -3.474 1.00 74.15 H new ATOM 0 HG3 PRO A 13 -15.287 -2.548 -4.981 1.00 74.15 H new ATOM 0 HD2 PRO A 13 -13.649 -4.529 -4.003 1.00 2.20 H new ATOM 0 HD3 PRO A 13 -13.049 -3.235 -5.021 1.00 2.20 H new ATOM 210 N HIS A 14 -14.274 -3.406 -0.647 1.00 3.32 N ATOM 211 CA HIS A 14 -14.768 -3.840 0.657 1.00 22.53 C ATOM 212 C HIS A 14 -13.757 -3.578 1.784 1.00 70.41 C ATOM 213 O HIS A 14 -14.155 -3.384 2.932 1.00 11.41 O ATOM 214 CB HIS A 14 -15.087 -5.350 0.624 1.00 4.32 C ATOM 215 CG HIS A 14 -16.351 -5.789 -0.086 1.00 51.33 C ATOM 216 ND1 HIS A 14 -16.705 -7.100 -0.336 1.00 12.20 N ATOM 217 CD2 HIS A 14 -17.361 -4.996 -0.568 1.00 1.03 C ATOM 218 CE1 HIS A 14 -17.910 -7.100 -0.928 1.00 72.44 C ATOM 219 NE2 HIS A 14 -18.347 -5.839 -1.098 1.00 74.34 N ATOM 0 H HIS A 14 -14.251 -4.150 -1.344 1.00 3.32 H new ATOM 0 HA HIS A 14 -15.667 -3.259 0.863 1.00 22.53 H new ATOM 0 HB2 HIS A 14 -14.245 -5.860 0.156 1.00 4.32 H new ATOM 0 HB3 HIS A 14 -15.141 -5.704 1.654 1.00 4.32 H new ATOM 0 HD2 HIS A 14 -17.391 -3.917 -0.543 1.00 1.03 H new ATOM 0 HE1 HIS A 14 -18.451 -7.986 -1.225 1.00 72.44 H new ATOM 0 HE2 HIS A 14 -19.226 -5.552 -1.529 1.00 74.34 H new ATOM 227 N SER A 15 -12.458 -3.643 1.495 1.00 25.50 N ATOM 228 CA SER A 15 -11.454 -3.616 2.543 1.00 64.34 C ATOM 229 C SER A 15 -11.224 -2.195 3.074 1.00 65.42 C ATOM 230 O SER A 15 -11.659 -1.194 2.496 1.00 73.13 O ATOM 231 CB SER A 15 -10.169 -4.248 2.013 1.00 71.33 C ATOM 232 OG SER A 15 -9.621 -5.135 2.965 1.00 41.24 O ATOM 0 H SER A 15 -12.084 -3.714 0.549 1.00 25.50 H new ATOM 0 HA SER A 15 -11.807 -4.197 3.395 1.00 64.34 H new ATOM 0 HB2 SER A 15 -10.376 -4.783 1.086 1.00 71.33 H new ATOM 0 HB3 SER A 15 -9.445 -3.468 1.776 1.00 71.33 H new ATOM 0 HG SER A 15 -8.799 -5.532 2.608 1.00 41.24 H new ATOM 238 N THR A 16 -10.430 -2.094 4.135 1.00 63.25 N ATOM 239 CA THR A 16 -10.080 -0.866 4.828 1.00 74.31 C ATOM 240 C THR A 16 -8.556 -0.754 4.808 1.00 3.03 C ATOM 241 O THR A 16 -7.992 -0.264 3.828 1.00 53.03 O ATOM 242 CB THR A 16 -10.721 -0.814 6.235 1.00 41.43 C ATOM 243 OG1 THR A 16 -10.372 -1.926 7.035 1.00 22.22 O ATOM 244 CG2 THR A 16 -12.246 -0.718 6.179 1.00 72.33 C ATOM 0 H THR A 16 -9.991 -2.913 4.555 1.00 63.25 H new ATOM 0 HA THR A 16 -10.487 0.013 4.329 1.00 74.31 H new ATOM 0 HB THR A 16 -10.319 0.092 6.690 1.00 41.43 H new ATOM 0 HG1 THR A 16 -10.800 -1.845 7.913 1.00 22.22 H new ATOM 0 HG21 THR A 16 -12.646 -0.684 7.192 1.00 72.33 H new ATOM 0 HG22 THR A 16 -12.534 0.187 5.645 1.00 72.33 H new ATOM 0 HG23 THR A 16 -12.647 -1.589 5.660 1.00 72.33 H new ATOM 252 N MET A 17 -7.864 -1.343 5.773 1.00 11.01 N ATOM 253 CA MET A 17 -6.437 -1.500 5.835 1.00 73.51 C ATOM 254 C MET A 17 -6.090 -2.563 6.872 1.00 13.32 C ATOM 255 O MET A 17 -5.144 -3.329 6.694 1.00 21.44 O ATOM 256 CB MET A 17 -5.878 -0.163 6.279 1.00 63.21 C ATOM 257 CG MET A 17 -4.379 -0.173 6.169 1.00 4.31 C ATOM 258 SD MET A 17 -3.818 -0.113 4.447 1.00 31.53 S ATOM 259 CE MET A 17 -2.485 -1.329 4.478 1.00 25.51 C ATOM 0 H MET A 17 -8.328 -1.749 6.586 1.00 11.01 H new ATOM 0 HA MET A 17 -6.026 -1.805 4.872 1.00 73.51 H new ATOM 0 HB2 MET A 17 -6.291 0.636 5.664 1.00 63.21 H new ATOM 0 HB3 MET A 17 -6.174 0.041 7.308 1.00 63.21 H new ATOM 0 HG2 MET A 17 -3.971 0.679 6.712 1.00 4.31 H new ATOM 0 HG3 MET A 17 -3.987 -1.072 6.646 1.00 4.31 H new ATOM 0 HE1 MET A 17 -1.970 -1.329 3.517 1.00 25.51 H new ATOM 0 HE2 MET A 17 -1.779 -1.075 5.268 1.00 25.51 H new ATOM 0 HE3 MET A 17 -2.900 -2.319 4.667 1.00 25.51 H new ATOM 269 N ASP A 18 -6.848 -2.584 7.968 1.00 52.05 N ATOM 270 CA ASP A 18 -6.588 -3.414 9.124 1.00 24.41 C ATOM 271 C ASP A 18 -6.518 -4.890 8.745 1.00 2.42 C ATOM 272 O ASP A 18 -5.533 -5.553 9.072 1.00 33.11 O ATOM 273 CB ASP A 18 -7.686 -3.158 10.151 1.00 25.41 C ATOM 274 CG ASP A 18 -7.537 -4.037 11.384 1.00 32.33 C ATOM 275 OD1 ASP A 18 -8.560 -4.615 11.812 1.00 64.43 O ATOM 276 OD2 ASP A 18 -6.433 -4.082 11.961 1.00 3.00 O ATOM 0 H ASP A 18 -7.681 -2.005 8.070 1.00 52.05 H new ATOM 0 HA ASP A 18 -5.618 -3.157 9.549 1.00 24.41 H new ATOM 0 HB2 ASP A 18 -7.664 -2.110 10.450 1.00 25.41 H new ATOM 0 HB3 ASP A 18 -8.658 -3.339 9.693 1.00 25.41 H new ATOM 281 N SER A 19 -7.500 -5.376 7.981 1.00 52.42 N ATOM 282 CA SER A 19 -7.588 -6.743 7.470 1.00 70.44 C ATOM 283 C SER A 19 -6.732 -6.944 6.203 1.00 32.41 C ATOM 284 O SER A 19 -6.966 -7.854 5.402 1.00 0.00 O ATOM 285 CB SER A 19 -9.069 -7.094 7.256 1.00 4.43 C ATOM 286 OG SER A 19 -9.393 -8.294 7.932 1.00 54.34 O ATOM 0 H SER A 19 -8.290 -4.800 7.690 1.00 52.42 H new ATOM 0 HA SER A 19 -7.171 -7.434 8.203 1.00 70.44 H new ATOM 0 HB2 SER A 19 -9.698 -6.282 7.621 1.00 4.43 H new ATOM 0 HB3 SER A 19 -9.274 -7.202 6.191 1.00 4.43 H new ATOM 0 HG SER A 19 -10.339 -8.505 7.789 1.00 54.34 H new ATOM 292 N ILE A 20 -5.699 -6.120 6.033 1.00 51.34 N ATOM 293 CA ILE A 20 -4.606 -6.295 5.086 1.00 23.13 C ATOM 294 C ILE A 20 -3.284 -6.282 5.861 1.00 54.04 C ATOM 295 O ILE A 20 -2.411 -7.085 5.560 1.00 54.43 O ATOM 296 CB ILE A 20 -4.674 -5.230 3.962 1.00 5.12 C ATOM 297 CG1 ILE A 20 -6.039 -5.264 3.246 1.00 45.15 C ATOM 298 CG2 ILE A 20 -3.541 -5.392 2.933 1.00 34.34 C ATOM 299 CD1 ILE A 20 -6.260 -4.068 2.328 1.00 3.21 C ATOM 0 H ILE A 20 -5.600 -5.267 6.584 1.00 51.34 H new ATOM 0 HA ILE A 20 -4.687 -7.256 4.579 1.00 23.13 H new ATOM 0 HB ILE A 20 -4.549 -4.262 4.447 1.00 5.12 H new ATOM 0 HG12 ILE A 20 -6.114 -6.182 2.663 1.00 45.15 H new ATOM 0 HG13 ILE A 20 -6.833 -5.294 3.992 1.00 45.15 H new ATOM 0 HG21 ILE A 20 -3.633 -4.622 2.166 1.00 34.34 H new ATOM 0 HG22 ILE A 20 -2.578 -5.292 3.434 1.00 34.34 H new ATOM 0 HG23 ILE A 20 -3.609 -6.376 2.469 1.00 34.34 H new ATOM 0 HD11 ILE A 20 -7.238 -4.150 1.853 1.00 3.21 H new ATOM 0 HD12 ILE A 20 -6.215 -3.148 2.911 1.00 3.21 H new ATOM 0 HD13 ILE A 20 -5.485 -4.049 1.562 1.00 3.21 H new ATOM 311 N LEU A 21 -3.094 -5.398 6.845 1.00 54.42 N ATOM 312 CA LEU A 21 -1.828 -5.294 7.579 1.00 24.53 C ATOM 313 C LEU A 21 -1.478 -6.541 8.403 1.00 4.31 C ATOM 314 O LEU A 21 -0.319 -6.685 8.781 1.00 33.43 O ATOM 315 CB LEU A 21 -1.798 -4.027 8.457 1.00 71.21 C ATOM 316 CG LEU A 21 -1.272 -2.793 7.706 1.00 4.22 C ATOM 317 CD1 LEU A 21 -1.610 -1.509 8.467 1.00 44.42 C ATOM 318 CD2 LEU A 21 0.247 -2.840 7.468 1.00 4.34 C ATOM 0 H LEU A 21 -3.808 -4.738 7.154 1.00 54.42 H new ATOM 0 HA LEU A 21 -1.053 -5.217 6.816 1.00 24.53 H new ATOM 0 HB2 LEU A 21 -2.803 -3.822 8.825 1.00 71.21 H new ATOM 0 HB3 LEU A 21 -1.171 -4.210 9.330 1.00 71.21 H new ATOM 0 HG LEU A 21 -1.768 -2.800 6.735 1.00 4.22 H new ATOM 0 HD11 LEU A 21 -1.228 -0.649 7.917 1.00 44.42 H new ATOM 0 HD12 LEU A 21 -2.691 -1.422 8.571 1.00 44.42 H new ATOM 0 HD13 LEU A 21 -1.151 -1.540 9.455 1.00 44.42 H new ATOM 0 HD21 LEU A 21 0.560 -1.943 6.934 1.00 4.34 H new ATOM 0 HD22 LEU A 21 0.764 -2.891 8.426 1.00 4.34 H new ATOM 0 HD23 LEU A 21 0.495 -3.720 6.875 1.00 4.34 H new ATOM 330 N GLY A 22 -2.417 -7.459 8.643 1.00 53.21 N ATOM 331 CA GLY A 22 -2.131 -8.730 9.304 1.00 32.44 C ATOM 332 C GLY A 22 -1.683 -9.823 8.329 1.00 54.44 C ATOM 333 O GLY A 22 -1.180 -10.853 8.777 1.00 63.13 O ATOM 0 H GLY A 22 -3.396 -7.340 8.384 1.00 53.21 H new ATOM 0 HA2 GLY A 22 -1.353 -8.577 10.052 1.00 32.44 H new ATOM 0 HA3 GLY A 22 -3.022 -9.066 9.834 1.00 32.44 H new ATOM 337 N ALA A 23 -1.877 -9.641 7.014 1.00 0.22 N ATOM 338 CA ALA A 23 -1.628 -10.680 6.012 1.00 1.03 C ATOM 339 C ALA A 23 -1.013 -10.173 4.710 1.00 3.30 C ATOM 340 O ALA A 23 -0.884 -10.938 3.760 1.00 41.05 O ATOM 341 CB ALA A 23 -2.963 -11.343 5.694 1.00 40.33 C ATOM 0 H ALA A 23 -2.213 -8.763 6.617 1.00 0.22 H new ATOM 0 HA ALA A 23 -0.899 -11.368 6.440 1.00 1.03 H new ATOM 0 HB1 ALA A 23 -2.813 -12.124 4.949 1.00 40.33 H new ATOM 0 HB2 ALA A 23 -3.376 -11.782 6.602 1.00 40.33 H new ATOM 0 HB3 ALA A 23 -3.656 -10.597 5.304 1.00 40.33 H new ATOM 347 N LEU A 24 -0.527 -8.937 4.682 1.00 31.20 N ATOM 348 CA LEU A 24 0.256 -8.379 3.589 1.00 22.30 C ATOM 349 C LEU A 24 1.553 -7.793 4.156 1.00 55.05 C ATOM 350 O LEU A 24 2.172 -6.911 3.552 1.00 23.20 O ATOM 351 CB LEU A 24 -0.555 -7.311 2.840 1.00 44.42 C ATOM 352 CG LEU A 24 -0.020 -6.992 1.428 1.00 40.05 C ATOM 353 CD1 LEU A 24 -0.548 -7.988 0.396 1.00 0.04 C ATOM 354 CD2 LEU A 24 -0.410 -5.573 1.000 1.00 71.53 C ATOM 0 H LEU A 24 -0.673 -8.276 5.445 1.00 31.20 H new ATOM 0 HA LEU A 24 0.504 -9.163 2.874 1.00 22.30 H new ATOM 0 HB2 LEU A 24 -1.589 -7.646 2.758 1.00 44.42 H new ATOM 0 HB3 LEU A 24 -0.562 -6.395 3.430 1.00 44.42 H new ATOM 0 HG LEU A 24 1.066 -7.069 1.473 1.00 40.05 H new ATOM 0 HD11 LEU A 24 -0.153 -7.736 -0.588 1.00 0.04 H new ATOM 0 HD12 LEU A 24 -0.231 -8.995 0.667 1.00 0.04 H new ATOM 0 HD13 LEU A 24 -1.637 -7.944 0.372 1.00 0.04 H new ATOM 0 HD21 LEU A 24 -0.021 -5.374 0.002 1.00 71.53 H new ATOM 0 HD22 LEU A 24 -1.496 -5.481 0.991 1.00 71.53 H new ATOM 0 HD23 LEU A 24 0.009 -4.853 1.703 1.00 71.53 H new ATOM 366 N ALA A 25 1.949 -8.202 5.361 1.00 75.21 N ATOM 367 CA ALA A 25 3.082 -7.641 6.068 1.00 13.01 C ATOM 368 C ALA A 25 4.135 -8.703 6.426 1.00 40.15 C ATOM 369 O ALA A 25 4.544 -8.776 7.582 1.00 14.02 O ATOM 370 CB ALA A 25 2.521 -6.898 7.275 1.00 30.22 C ATOM 0 H ALA A 25 1.478 -8.946 5.876 1.00 75.21 H new ATOM 0 HA ALA A 25 3.631 -6.944 5.435 1.00 13.01 H new ATOM 0 HB1 ALA A 25 3.340 -6.455 7.843 1.00 30.22 H new ATOM 0 HB2 ALA A 25 1.847 -6.111 6.937 1.00 30.22 H new ATOM 0 HB3 ALA A 25 1.975 -7.595 7.910 1.00 30.22 H new ATOM 376 N PRO A 26 4.647 -9.490 5.460 1.00 52.45 N ATOM 377 CA PRO A 26 5.786 -10.360 5.702 1.00 20.10 C ATOM 378 C PRO A 26 7.119 -9.606 5.795 1.00 40.11 C ATOM 379 O PRO A 26 8.088 -10.191 6.290 1.00 74.41 O ATOM 380 CB PRO A 26 5.795 -11.351 4.536 1.00 14.12 C ATOM 381 CG PRO A 26 5.093 -10.615 3.399 1.00 53.22 C ATOM 382 CD PRO A 26 4.106 -9.717 4.129 1.00 63.14 C ATOM 0 HA PRO A 26 5.685 -10.853 6.669 1.00 20.10 H new ATOM 0 HB2 PRO A 26 6.812 -11.629 4.260 1.00 14.12 H new ATOM 0 HB3 PRO A 26 5.272 -12.272 4.794 1.00 14.12 H new ATOM 0 HG2 PRO A 26 5.795 -10.038 2.798 1.00 53.22 H new ATOM 0 HG3 PRO A 26 4.587 -11.305 2.723 1.00 53.22 H new ATOM 0 HD2 PRO A 26 3.977 -8.774 3.599 1.00 63.14 H new ATOM 0 HD3 PRO A 26 3.125 -10.188 4.186 1.00 63.14 H new ATOM 390 N TYR A 27 7.205 -8.350 5.326 1.00 44.23 N ATOM 391 CA TYR A 27 8.454 -7.585 5.334 1.00 14.44 C ATOM 392 C TYR A 27 8.204 -6.150 5.774 1.00 70.44 C ATOM 393 O TYR A 27 8.670 -5.766 6.842 1.00 51.05 O ATOM 394 CB TYR A 27 9.209 -7.677 3.996 1.00 24.50 C ATOM 395 CG TYR A 27 9.317 -9.094 3.478 1.00 1.43 C ATOM 396 CD1 TYR A 27 10.334 -9.944 3.944 1.00 24.54 C ATOM 397 CD2 TYR A 27 8.358 -9.574 2.569 1.00 20.14 C ATOM 398 CE1 TYR A 27 10.392 -11.275 3.499 1.00 54.32 C ATOM 399 CE2 TYR A 27 8.395 -10.908 2.137 1.00 72.41 C ATOM 400 CZ TYR A 27 9.415 -11.763 2.600 1.00 2.22 C ATOM 401 OH TYR A 27 9.477 -13.035 2.139 1.00 32.53 O ATOM 0 H TYR A 27 6.412 -7.842 4.933 1.00 44.23 H new ATOM 0 HA TYR A 27 9.116 -8.039 6.071 1.00 14.44 H new ATOM 0 HB2 TYR A 27 8.700 -7.062 3.254 1.00 24.50 H new ATOM 0 HB3 TYR A 27 10.210 -7.263 4.120 1.00 24.50 H new ATOM 0 HD1 TYR A 27 11.070 -9.575 4.643 1.00 24.54 H new ATOM 0 HD2 TYR A 27 7.588 -8.912 2.201 1.00 20.14 H new ATOM 0 HE1 TYR A 27 11.182 -11.926 3.843 1.00 54.32 H new ATOM 0 HE2 TYR A 27 7.646 -11.278 1.453 1.00 72.41 H new ATOM 0 HH TYR A 27 9.899 -13.607 2.813 1.00 32.53 H new ATOM 411 N ALA A 28 7.484 -5.353 4.985 1.00 42.04 N ATOM 412 CA ALA A 28 7.062 -4.030 5.420 1.00 62.21 C ATOM 413 C ALA A 28 5.847 -4.217 6.322 1.00 74.55 C ATOM 414 O ALA A 28 4.893 -4.886 5.909 1.00 24.20 O ATOM 415 CB ALA A 28 6.729 -3.173 4.201 1.00 25.31 C ATOM 0 H ALA A 28 7.183 -5.604 4.043 1.00 42.04 H new ATOM 0 HA ALA A 28 7.851 -3.518 5.970 1.00 62.21 H new ATOM 0 HB1 ALA A 28 6.413 -2.182 4.528 1.00 25.31 H new ATOM 0 HB2 ALA A 28 7.612 -3.082 3.568 1.00 25.31 H new ATOM 0 HB3 ALA A 28 5.924 -3.642 3.635 1.00 25.31 H new ATOM 421 N VAL A 29 5.879 -3.654 7.529 1.00 62.55 N ATOM 422 CA VAL A 29 4.880 -3.847 8.572 1.00 51.35 C ATOM 423 C VAL A 29 4.552 -2.464 9.136 1.00 30.33 C ATOM 424 O VAL A 29 5.150 -2.014 10.113 1.00 22.23 O ATOM 425 CB VAL A 29 5.385 -4.847 9.640 1.00 71.55 C ATOM 426 CG1 VAL A 29 4.224 -5.269 10.547 1.00 31.44 C ATOM 427 CG2 VAL A 29 6.039 -6.102 9.039 1.00 73.53 C ATOM 0 H VAL A 29 6.631 -3.028 7.815 1.00 62.55 H new ATOM 0 HA VAL A 29 3.967 -4.294 8.179 1.00 51.35 H new ATOM 0 HB VAL A 29 6.154 -4.327 10.211 1.00 71.55 H new ATOM 0 HG11 VAL A 29 4.585 -5.973 11.297 1.00 31.44 H new ATOM 0 HG12 VAL A 29 3.812 -4.390 11.043 1.00 31.44 H new ATOM 0 HG13 VAL A 29 3.448 -5.744 9.947 1.00 31.44 H new ATOM 0 HG21 VAL A 29 6.370 -6.760 9.842 1.00 73.53 H new ATOM 0 HG22 VAL A 29 5.315 -6.627 8.416 1.00 73.53 H new ATOM 0 HG23 VAL A 29 6.896 -5.810 8.432 1.00 73.53 H new ATOM 437 N LEU A 30 3.665 -1.741 8.453 1.00 53.03 N ATOM 438 CA LEU A 30 3.431 -0.329 8.733 1.00 71.42 C ATOM 439 C LEU A 30 2.609 -0.136 10.006 1.00 30.51 C ATOM 440 O LEU A 30 1.759 -0.967 10.347 1.00 71.12 O ATOM 441 CB LEU A 30 2.696 0.335 7.557 1.00 74.15 C ATOM 442 CG LEU A 30 3.491 0.546 6.252 1.00 32.34 C ATOM 443 CD1 LEU A 30 4.896 1.114 6.480 1.00 61.13 C ATOM 444 CD2 LEU A 30 3.578 -0.725 5.405 1.00 32.40 C ATOM 0 H LEU A 30 3.093 -2.116 7.696 1.00 53.03 H new ATOM 0 HA LEU A 30 4.406 0.138 8.874 1.00 71.42 H new ATOM 0 HB2 LEU A 30 1.819 -0.269 7.323 1.00 74.15 H new ATOM 0 HB3 LEU A 30 2.334 1.307 7.892 1.00 74.15 H new ATOM 0 HG LEU A 30 2.918 1.292 5.701 1.00 32.34 H new ATOM 0 HD11 LEU A 30 5.399 1.237 5.521 1.00 61.13 H new ATOM 0 HD12 LEU A 30 4.821 2.081 6.977 1.00 61.13 H new ATOM 0 HD13 LEU A 30 5.469 0.428 7.104 1.00 61.13 H new ATOM 0 HD21 LEU A 30 4.148 -0.520 4.499 1.00 32.40 H new ATOM 0 HD22 LEU A 30 4.074 -1.510 5.976 1.00 32.40 H new ATOM 0 HD23 LEU A 30 2.574 -1.052 5.136 1.00 32.40 H new ATOM 456 N SER A 31 2.764 1.023 10.645 1.00 50.31 N ATOM 457 CA SER A 31 1.992 1.444 11.805 1.00 3.32 C ATOM 458 C SER A 31 0.698 2.124 11.364 1.00 43.43 C ATOM 459 O SER A 31 0.451 3.279 11.710 1.00 72.32 O ATOM 460 CB SER A 31 2.844 2.361 12.688 1.00 13.00 C ATOM 461 OG SER A 31 3.994 1.667 13.121 1.00 24.12 O ATOM 0 H SER A 31 3.455 1.716 10.356 1.00 50.31 H new ATOM 0 HA SER A 31 1.715 0.570 12.395 1.00 3.32 H new ATOM 0 HB2 SER A 31 3.133 3.253 12.131 1.00 13.00 H new ATOM 0 HB3 SER A 31 2.264 2.696 13.548 1.00 13.00 H new ATOM 0 HG SER A 31 4.539 2.256 13.684 1.00 24.12 H new ATOM 467 N SER A 32 -0.128 1.405 10.597 1.00 1.41 N ATOM 468 CA SER A 32 -1.478 1.778 10.200 1.00 53.22 C ATOM 469 C SER A 32 -1.537 3.106 9.440 1.00 44.25 C ATOM 470 O SER A 32 -1.617 3.074 8.212 1.00 23.14 O ATOM 471 CB SER A 32 -2.395 1.700 11.432 1.00 51.25 C ATOM 472 OG SER A 32 -3.763 1.783 11.079 1.00 12.01 O ATOM 0 H SER A 32 0.148 0.499 10.219 1.00 1.41 H new ATOM 0 HA SER A 32 -1.850 1.065 9.465 1.00 53.22 H new ATOM 0 HB2 SER A 32 -2.213 0.765 11.961 1.00 51.25 H new ATOM 0 HB3 SER A 32 -2.148 2.509 12.120 1.00 51.25 H new ATOM 0 HG SER A 32 -4.313 1.728 11.888 1.00 12.01 H new ATOM 478 N SER A 33 -1.523 4.262 10.113 1.00 25.53 N ATOM 479 CA SER A 33 -1.687 5.554 9.475 1.00 3.04 C ATOM 480 C SER A 33 -0.572 5.882 8.482 1.00 3.03 C ATOM 481 O SER A 33 -0.835 6.657 7.555 1.00 62.42 O ATOM 482 CB SER A 33 -1.927 6.667 10.489 1.00 11.32 C ATOM 483 OG SER A 33 -2.492 7.791 9.841 1.00 71.23 O ATOM 0 H SER A 33 -1.396 4.318 11.124 1.00 25.53 H new ATOM 0 HA SER A 33 -2.593 5.483 8.873 1.00 3.04 H new ATOM 0 HB2 SER A 33 -2.594 6.316 11.277 1.00 11.32 H new ATOM 0 HB3 SER A 33 -0.988 6.945 10.967 1.00 11.32 H new ATOM 0 HG SER A 33 -2.646 8.503 10.496 1.00 71.23 H new ATOM 489 N ASN A 34 0.632 5.289 8.587 1.00 1.41 N ATOM 490 CA ASN A 34 1.617 5.373 7.500 1.00 12.11 C ATOM 491 C ASN A 34 0.963 5.105 6.151 1.00 33.44 C ATOM 492 O ASN A 34 1.355 5.717 5.164 1.00 34.41 O ATOM 493 CB ASN A 34 2.738 4.343 7.632 1.00 21.54 C ATOM 494 CG ASN A 34 3.633 4.583 8.822 1.00 30.32 C ATOM 495 OD1 ASN A 34 3.413 4.001 9.875 1.00 73.55 O ATOM 496 ND2 ASN A 34 4.663 5.390 8.675 1.00 21.44 N ATOM 0 H ASN A 34 0.940 4.756 9.400 1.00 1.41 H new ATOM 0 HA ASN A 34 2.024 6.382 7.566 1.00 12.11 H new ATOM 0 HB2 ASN A 34 2.300 3.348 7.711 1.00 21.54 H new ATOM 0 HB3 ASN A 34 3.341 4.355 6.724 1.00 21.54 H new ATOM 0 HD21 ASN A 34 5.305 5.544 9.452 1.00 21.44 H new ATOM 0 HD22 ASN A 34 4.819 5.861 7.784 1.00 21.44 H new ATOM 503 N VAL A 35 -0.020 4.199 6.105 1.00 43.41 N ATOM 504 CA VAL A 35 -0.834 3.963 4.936 1.00 24.32 C ATOM 505 C VAL A 35 -2.053 4.889 4.968 1.00 34.43 C ATOM 506 O VAL A 35 -3.018 4.666 5.706 1.00 32.22 O ATOM 507 CB VAL A 35 -1.181 2.475 4.782 1.00 71.45 C ATOM 508 CG1 VAL A 35 -1.744 2.310 3.360 1.00 22.23 C ATOM 509 CG2 VAL A 35 0.059 1.585 4.960 1.00 72.54 C ATOM 0 H VAL A 35 -0.266 3.607 6.898 1.00 43.41 H new ATOM 0 HA VAL A 35 -0.270 4.210 4.037 1.00 24.32 H new ATOM 0 HB VAL A 35 -1.899 2.171 5.544 1.00 71.45 H new ATOM 0 HG11 VAL A 35 -2.010 1.266 3.193 1.00 22.23 H new ATOM 0 HG12 VAL A 35 -2.631 2.933 3.245 1.00 22.23 H new ATOM 0 HG13 VAL A 35 -0.991 2.614 2.633 1.00 22.23 H new ATOM 0 HG21 VAL A 35 -0.224 0.539 4.844 1.00 72.54 H new ATOM 0 HG22 VAL A 35 0.804 1.844 4.208 1.00 72.54 H new ATOM 0 HG23 VAL A 35 0.478 1.740 5.954 1.00 72.54 H new ATOM 519 N ARG A 36 -2.013 5.957 4.173 1.00 72.52 N ATOM 520 CA ARG A 36 -3.158 6.796 3.829 1.00 73.25 C ATOM 521 C ARG A 36 -4.102 6.000 2.922 1.00 41.45 C ATOM 522 O ARG A 36 -3.703 5.593 1.828 1.00 25.13 O ATOM 523 CB ARG A 36 -2.647 8.101 3.166 1.00 62.43 C ATOM 524 CG ARG A 36 -3.019 9.340 4.000 1.00 14.20 C ATOM 525 CD ARG A 36 -4.409 9.888 3.654 1.00 74.32 C ATOM 526 NE ARG A 36 -4.366 10.824 2.517 1.00 70.24 N ATOM 527 CZ ARG A 36 -5.398 11.530 2.045 1.00 50.24 C ATOM 528 NH1 ARG A 36 -6.607 11.378 2.571 1.00 24.30 N ATOM 529 NH2 ARG A 36 -5.207 12.381 1.041 1.00 34.23 N ATOM 0 H ARG A 36 -1.148 6.273 3.734 1.00 72.52 H new ATOM 0 HA ARG A 36 -3.721 7.082 4.717 1.00 73.25 H new ATOM 0 HB2 ARG A 36 -1.564 8.051 3.049 1.00 62.43 H new ATOM 0 HB3 ARG A 36 -3.072 8.193 2.166 1.00 62.43 H new ATOM 0 HG2 ARG A 36 -2.987 9.084 5.059 1.00 14.20 H new ATOM 0 HG3 ARG A 36 -2.274 10.119 3.838 1.00 14.20 H new ATOM 0 HD2 ARG A 36 -5.076 9.060 3.417 1.00 74.32 H new ATOM 0 HD3 ARG A 36 -4.826 10.394 4.525 1.00 74.32 H new ATOM 0 HE ARG A 36 -3.468 10.944 2.048 1.00 70.24 H new ATOM 0 HH11 ARG A 36 -6.751 10.721 3.338 1.00 24.30 H new ATOM 0 HH12 ARG A 36 -7.393 11.918 2.208 1.00 24.30 H new ATOM 0 HH21 ARG A 36 -4.277 12.492 0.636 1.00 34.23 H new ATOM 0 HH22 ARG A 36 -5.990 12.923 0.676 1.00 34.23 H new ATOM 543 N VAL A 37 -5.335 5.777 3.375 1.00 31.31 N ATOM 544 CA VAL A 37 -6.423 5.141 2.644 1.00 50.31 C ATOM 545 C VAL A 37 -7.606 6.113 2.589 1.00 10.30 C ATOM 546 O VAL A 37 -8.189 6.447 3.618 1.00 61.32 O ATOM 547 CB VAL A 37 -6.837 3.818 3.319 1.00 2.10 C ATOM 548 CG1 VAL A 37 -7.853 3.089 2.435 1.00 23.50 C ATOM 549 CG2 VAL A 37 -5.683 2.840 3.567 1.00 12.34 C ATOM 0 H VAL A 37 -5.614 6.052 4.317 1.00 31.31 H new ATOM 0 HA VAL A 37 -6.094 4.903 1.633 1.00 50.31 H new ATOM 0 HB VAL A 37 -7.243 4.109 4.288 1.00 2.10 H new ATOM 0 HG11 VAL A 37 -8.146 2.154 2.912 1.00 23.50 H new ATOM 0 HG12 VAL A 37 -8.733 3.717 2.298 1.00 23.50 H new ATOM 0 HG13 VAL A 37 -7.404 2.876 1.465 1.00 23.50 H new ATOM 0 HG21 VAL A 37 -6.066 1.938 4.044 1.00 12.34 H new ATOM 0 HG22 VAL A 37 -5.218 2.578 2.617 1.00 12.34 H new ATOM 0 HG23 VAL A 37 -4.943 3.308 4.216 1.00 12.34 H new ATOM 559 N ILE A 38 -7.972 6.565 1.393 1.00 50.01 N ATOM 560 CA ILE A 38 -9.163 7.369 1.127 1.00 2.03 C ATOM 561 C ILE A 38 -10.344 6.417 0.876 1.00 50.04 C ATOM 562 O ILE A 38 -10.152 5.326 0.328 1.00 61.11 O ATOM 563 CB ILE A 38 -8.880 8.244 -0.119 1.00 31.23 C ATOM 564 CG1 ILE A 38 -7.600 9.094 0.068 1.00 21.51 C ATOM 565 CG2 ILE A 38 -10.075 9.157 -0.468 1.00 25.23 C ATOM 566 CD1 ILE A 38 -7.040 9.629 -1.248 1.00 31.43 C ATOM 0 H ILE A 38 -7.428 6.375 0.551 1.00 50.01 H new ATOM 0 HA ILE A 38 -9.409 8.016 1.969 1.00 2.03 H new ATOM 0 HB ILE A 38 -8.725 7.558 -0.952 1.00 31.23 H new ATOM 0 HG12 ILE A 38 -7.821 9.932 0.730 1.00 21.51 H new ATOM 0 HG13 ILE A 38 -6.839 8.490 0.561 1.00 21.51 H new ATOM 0 HG21 ILE A 38 -9.833 9.753 -1.348 1.00 25.23 H new ATOM 0 HG22 ILE A 38 -10.953 8.545 -0.675 1.00 25.23 H new ATOM 0 HG23 ILE A 38 -10.284 9.819 0.372 1.00 25.23 H new ATOM 0 HD11 ILE A 38 -6.144 10.217 -1.050 1.00 31.43 H new ATOM 0 HD12 ILE A 38 -6.790 8.794 -1.903 1.00 31.43 H new ATOM 0 HD13 ILE A 38 -7.787 10.259 -1.732 1.00 31.43 H new ATOM 578 N LYS A 39 -11.568 6.845 1.206 1.00 73.14 N ATOM 579 CA LYS A 39 -12.812 6.192 0.795 1.00 21.23 C ATOM 580 C LYS A 39 -13.727 7.223 0.154 1.00 22.32 C ATOM 581 O LYS A 39 -13.571 8.415 0.434 1.00 63.23 O ATOM 582 CB LYS A 39 -13.529 5.531 1.978 1.00 71.51 C ATOM 583 CG LYS A 39 -12.660 4.615 2.850 1.00 3.41 C ATOM 584 CD LYS A 39 -11.858 5.357 3.944 1.00 14.14 C ATOM 585 CE LYS A 39 -11.881 4.693 5.329 1.00 5.44 C ATOM 586 NZ LYS A 39 -13.249 4.623 5.874 1.00 63.24 N ATOM 0 H LYS A 39 -11.722 7.674 1.779 1.00 73.14 H new ATOM 0 HA LYS A 39 -12.563 5.407 0.081 1.00 21.23 H new ATOM 0 HB2 LYS A 39 -13.948 6.314 2.610 1.00 71.51 H new ATOM 0 HB3 LYS A 39 -14.367 4.949 1.593 1.00 71.51 H new ATOM 0 HG2 LYS A 39 -13.299 3.871 3.325 1.00 3.41 H new ATOM 0 HG3 LYS A 39 -11.964 4.074 2.209 1.00 3.41 H new ATOM 0 HD2 LYS A 39 -10.822 5.445 3.617 1.00 14.14 H new ATOM 0 HD3 LYS A 39 -12.250 6.370 4.037 1.00 14.14 H new ATOM 0 HE2 LYS A 39 -11.465 3.688 5.258 1.00 5.44 H new ATOM 0 HE3 LYS A 39 -11.244 5.254 6.013 1.00 5.44 H new ATOM 0 HZ1 LYS A 39 -13.206 4.495 6.905 1.00 63.24 H new ATOM 0 HZ2 LYS A 39 -13.755 5.505 5.655 1.00 63.24 H new ATOM 0 HZ3 LYS A 39 -13.752 3.820 5.447 1.00 63.24 H new ATOM 600 N ASP A 40 -14.682 6.800 -0.678 1.00 22.13 N ATOM 601 CA ASP A 40 -15.548 7.766 -1.369 1.00 22.30 C ATOM 602 C ASP A 40 -16.572 8.394 -0.423 1.00 54.42 C ATOM 603 O ASP A 40 -16.796 7.929 0.700 1.00 25.53 O ATOM 604 CB ASP A 40 -16.251 7.167 -2.599 1.00 25.24 C ATOM 605 CG ASP A 40 -16.314 8.172 -3.761 1.00 61.53 C ATOM 606 OD1 ASP A 40 -16.073 7.773 -4.916 1.00 51.13 O ATOM 607 OD2 ASP A 40 -16.511 9.394 -3.535 1.00 54.45 O ATOM 0 H ASP A 40 -14.875 5.821 -0.888 1.00 22.13 H new ATOM 0 HA ASP A 40 -14.883 8.552 -1.727 1.00 22.30 H new ATOM 0 HB2 ASP A 40 -15.721 6.271 -2.921 1.00 25.24 H new ATOM 0 HB3 ASP A 40 -17.261 6.860 -2.328 1.00 25.24 H new ATOM 612 N LYS A 41 -17.232 9.447 -0.900 1.00 71.11 N ATOM 613 CA LYS A 41 -18.308 10.140 -0.217 1.00 12.31 C ATOM 614 C LYS A 41 -19.615 9.403 -0.454 1.00 33.23 C ATOM 615 O LYS A 41 -20.275 9.053 0.518 1.00 25.33 O ATOM 616 CB LYS A 41 -18.294 11.623 -0.646 1.00 52.05 C ATOM 617 CG LYS A 41 -18.873 12.588 0.402 1.00 5.20 C ATOM 618 CD LYS A 41 -18.233 13.990 0.363 1.00 54.44 C ATOM 619 CE LYS A 41 -18.474 14.741 -0.954 1.00 10.21 C ATOM 620 NZ LYS A 41 -18.026 16.153 -0.912 1.00 24.40 N ATOM 0 H LYS A 41 -17.018 9.853 -1.811 1.00 71.11 H new ATOM 0 HA LYS A 41 -18.177 10.143 0.865 1.00 12.31 H new ATOM 0 HB2 LYS A 41 -17.267 11.916 -0.866 1.00 52.05 H new ATOM 0 HB3 LYS A 41 -18.860 11.727 -1.572 1.00 52.05 H new ATOM 0 HG2 LYS A 41 -19.947 12.683 0.244 1.00 5.20 H new ATOM 0 HG3 LYS A 41 -18.734 12.161 1.395 1.00 5.20 H new ATOM 0 HD2 LYS A 41 -18.629 14.584 1.187 1.00 54.44 H new ATOM 0 HD3 LYS A 41 -17.159 13.894 0.526 1.00 54.44 H new ATOM 0 HE2 LYS A 41 -17.952 14.225 -1.760 1.00 10.21 H new ATOM 0 HE3 LYS A 41 -19.537 14.711 -1.192 1.00 10.21 H new ATOM 0 HZ1 LYS A 41 -18.216 16.605 -1.829 1.00 24.40 H new ATOM 0 HZ2 LYS A 41 -18.542 16.659 -0.164 1.00 24.40 H new ATOM 0 HZ3 LYS A 41 -17.006 16.188 -0.713 1.00 24.40 H new ATOM 634 N GLN A 42 -19.974 9.098 -1.703 1.00 23.54 N ATOM 635 CA GLN A 42 -21.185 8.324 -1.966 1.00 23.31 C ATOM 636 C GLN A 42 -21.014 6.898 -1.468 1.00 54.32 C ATOM 637 O GLN A 42 -21.804 6.427 -0.656 1.00 65.45 O ATOM 638 CB GLN A 42 -21.561 8.285 -3.453 1.00 70.32 C ATOM 639 CG GLN A 42 -22.693 9.245 -3.841 1.00 25.51 C ATOM 640 CD GLN A 42 -24.031 8.830 -3.231 1.00 43.33 C ATOM 641 OE1 GLN A 42 -24.431 7.670 -3.331 1.00 24.14 O ATOM 642 NE2 GLN A 42 -24.726 9.737 -2.566 1.00 51.45 N ATOM 0 H GLN A 42 -19.451 9.371 -2.535 1.00 23.54 H new ATOM 0 HA GLN A 42 -21.991 8.826 -1.432 1.00 23.31 H new ATOM 0 HB2 GLN A 42 -20.678 8.524 -4.046 1.00 70.32 H new ATOM 0 HB3 GLN A 42 -21.856 7.269 -3.715 1.00 70.32 H new ATOM 0 HG2 GLN A 42 -22.442 10.253 -3.512 1.00 25.51 H new ATOM 0 HG3 GLN A 42 -22.784 9.278 -4.927 1.00 25.51 H new ATOM 0 HE21 GLN A 42 -24.379 10.693 -2.494 1.00 51.45 H new ATOM 0 HE22 GLN A 42 -25.609 9.480 -2.125 1.00 51.45 H new ATOM 651 N THR A 43 -20.030 6.186 -2.014 1.00 1.33 N ATOM 652 CA THR A 43 -20.019 4.729 -1.927 1.00 2.30 C ATOM 653 C THR A 43 -19.442 4.270 -0.587 1.00 63.22 C ATOM 654 O THR A 43 -19.683 3.140 -0.162 1.00 61.13 O ATOM 655 CB THR A 43 -19.264 4.139 -3.132 1.00 13.00 C ATOM 656 OG1 THR A 43 -17.895 4.483 -3.075 1.00 52.15 O ATOM 657 CG2 THR A 43 -19.826 4.649 -4.467 1.00 5.03 C ATOM 0 H THR A 43 -19.239 6.589 -2.516 1.00 1.33 H new ATOM 0 HA THR A 43 -21.042 4.355 -1.967 1.00 2.30 H new ATOM 0 HB THR A 43 -19.391 3.058 -3.080 1.00 13.00 H new ATOM 0 HG1 THR A 43 -17.429 4.099 -3.847 1.00 52.15 H new ATOM 0 HG21 THR A 43 -19.264 4.208 -5.290 1.00 5.03 H new ATOM 0 HG22 THR A 43 -20.876 4.367 -4.551 1.00 5.03 H new ATOM 0 HG23 THR A 43 -19.738 5.735 -4.508 1.00 5.03 H new ATOM 665 N GLN A 44 -18.688 5.158 0.080 1.00 72.23 N ATOM 666 CA GLN A 44 -17.982 4.914 1.329 1.00 64.51 C ATOM 667 C GLN A 44 -16.932 3.795 1.198 1.00 52.24 C ATOM 668 O GLN A 44 -16.455 3.285 2.215 1.00 13.01 O ATOM 669 CB GLN A 44 -18.974 4.688 2.479 1.00 13.33 C ATOM 670 CG GLN A 44 -20.207 5.609 2.548 1.00 50.15 C ATOM 671 CD GLN A 44 -19.976 6.990 3.161 1.00 22.42 C ATOM 672 OE1 GLN A 44 -20.793 7.452 3.949 1.00 32.42 O ATOM 673 NE2 GLN A 44 -18.906 7.702 2.843 1.00 24.00 N ATOM 0 H GLN A 44 -18.553 6.110 -0.261 1.00 72.23 H new ATOM 0 HA GLN A 44 -17.412 5.810 1.576 1.00 64.51 H new ATOM 0 HB2 GLN A 44 -19.327 3.658 2.421 1.00 13.33 H new ATOM 0 HB3 GLN A 44 -18.428 4.786 3.418 1.00 13.33 H new ATOM 0 HG2 GLN A 44 -20.594 5.742 1.538 1.00 50.15 H new ATOM 0 HG3 GLN A 44 -20.983 5.103 3.123 1.00 50.15 H new ATOM 0 HE21 GLN A 44 -18.220 7.327 2.188 1.00 24.00 H new ATOM 0 HE22 GLN A 44 -18.768 8.626 3.253 1.00 24.00 H new ATOM 682 N LEU A 45 -16.562 3.421 -0.032 1.00 63.31 N ATOM 683 CA LEU A 45 -15.580 2.388 -0.345 1.00 42.14 C ATOM 684 C LEU A 45 -14.323 3.047 -0.881 1.00 2.00 C ATOM 685 O LEU A 45 -14.371 4.154 -1.413 1.00 12.42 O ATOM 686 CB LEU A 45 -16.095 1.471 -1.457 1.00 62.32 C ATOM 687 CG LEU A 45 -17.367 0.688 -1.117 1.00 31.12 C ATOM 688 CD1 LEU A 45 -18.088 0.332 -2.417 1.00 70.25 C ATOM 689 CD2 LEU A 45 -17.107 -0.538 -0.236 1.00 24.30 C ATOM 0 H LEU A 45 -16.958 3.850 -0.868 1.00 63.31 H new ATOM 0 HA LEU A 45 -15.390 1.817 0.564 1.00 42.14 H new ATOM 0 HB2 LEU A 45 -16.285 2.074 -2.345 1.00 62.32 H new ATOM 0 HB3 LEU A 45 -15.309 0.762 -1.715 1.00 62.32 H new ATOM 0 HG LEU A 45 -18.011 1.325 -0.511 1.00 31.12 H new ATOM 0 HD11 LEU A 45 -18.996 -0.226 -2.188 1.00 70.25 H new ATOM 0 HD12 LEU A 45 -18.349 1.246 -2.951 1.00 70.25 H new ATOM 0 HD13 LEU A 45 -17.434 -0.278 -3.040 1.00 70.25 H new ATOM 0 HD21 LEU A 45 -18.049 -1.047 -0.033 1.00 24.30 H new ATOM 0 HD22 LEU A 45 -16.430 -1.220 -0.752 1.00 24.30 H new ATOM 0 HD23 LEU A 45 -16.656 -0.221 0.704 1.00 24.30 H new ATOM 701 N ASN A 46 -13.206 2.343 -0.784 1.00 43.23 N ATOM 702 CA ASN A 46 -11.903 2.809 -1.238 1.00 13.02 C ATOM 703 C ASN A 46 -11.821 3.045 -2.750 1.00 50.15 C ATOM 704 O ASN A 46 -12.686 2.652 -3.532 1.00 25.30 O ATOM 705 CB ASN A 46 -10.794 1.892 -0.712 1.00 54.01 C ATOM 706 CG ASN A 46 -10.651 0.540 -1.401 1.00 42.03 C ATOM 707 OD1 ASN A 46 -10.601 0.460 -2.621 1.00 14.13 O ATOM 708 ND2 ASN A 46 -10.529 -0.521 -0.622 1.00 32.41 N ATOM 0 H ASN A 46 -13.179 1.408 -0.377 1.00 43.23 H new ATOM 0 HA ASN A 46 -11.751 3.799 -0.809 1.00 13.02 H new ATOM 0 HB2 ASN A 46 -9.845 2.421 -0.796 1.00 54.01 H new ATOM 0 HB3 ASN A 46 -10.969 1.718 0.350 1.00 54.01 H new ATOM 0 HD21 ASN A 46 -10.388 -1.443 -1.035 1.00 32.41 H new ATOM 0 HD22 ASN A 46 -10.576 -0.418 0.392 1.00 32.41 H new ATOM 715 N ARG A 47 -10.734 3.716 -3.148 1.00 5.10 N ATOM 716 CA ARG A 47 -10.432 4.154 -4.521 1.00 52.43 C ATOM 717 C ARG A 47 -9.772 3.042 -5.358 1.00 12.01 C ATOM 718 O ARG A 47 -9.555 3.220 -6.555 1.00 72.13 O ATOM 719 CB ARG A 47 -9.547 5.423 -4.515 1.00 2.32 C ATOM 720 CG ARG A 47 -10.084 6.631 -3.710 1.00 41.23 C ATOM 721 CD ARG A 47 -10.541 7.834 -4.559 1.00 4.21 C ATOM 722 NE ARG A 47 -9.460 8.518 -5.287 1.00 4.31 N ATOM 723 CZ ARG A 47 -9.613 9.461 -6.231 1.00 72.15 C ATOM 724 NH1 ARG A 47 -10.808 9.880 -6.639 1.00 31.23 N ATOM 725 NH2 ARG A 47 -8.546 10.025 -6.775 1.00 1.03 N ATOM 0 H ARG A 47 -10.002 3.983 -2.490 1.00 5.10 H new ATOM 0 HA ARG A 47 -11.386 4.393 -4.992 1.00 52.43 H new ATOM 0 HB2 ARG A 47 -8.568 5.155 -4.118 1.00 2.32 H new ATOM 0 HB3 ARG A 47 -9.396 5.740 -5.547 1.00 2.32 H new ATOM 0 HG2 ARG A 47 -10.924 6.297 -3.101 1.00 41.23 H new ATOM 0 HG3 ARG A 47 -9.306 6.965 -3.024 1.00 41.23 H new ATOM 0 HD2 ARG A 47 -11.285 7.492 -5.278 1.00 4.21 H new ATOM 0 HD3 ARG A 47 -11.035 8.555 -3.907 1.00 4.21 H new ATOM 0 HE ARG A 47 -8.504 8.250 -5.052 1.00 4.31 H new ATOM 0 HH11 ARG A 47 -11.654 9.482 -6.232 1.00 31.23 H new ATOM 0 HH12 ARG A 47 -10.878 10.599 -7.359 1.00 31.23 H new ATOM 0 HH21 ARG A 47 -7.612 9.743 -6.477 1.00 1.03 H new ATOM 0 HH22 ARG A 47 -8.658 10.742 -7.492 1.00 1.03 H new ATOM 739 N GLY A 48 -9.323 1.969 -4.700 1.00 12.44 N ATOM 740 CA GLY A 48 -8.601 0.844 -5.274 1.00 52.05 C ATOM 741 C GLY A 48 -7.081 0.979 -5.167 1.00 1.21 C ATOM 742 O GLY A 48 -6.339 0.183 -5.744 1.00 34.44 O ATOM 0 H GLY A 48 -9.465 1.862 -3.696 1.00 12.44 H new ATOM 0 HA2 GLY A 48 -8.913 -0.072 -4.773 1.00 52.05 H new ATOM 0 HA3 GLY A 48 -8.876 0.743 -6.324 1.00 52.05 H new ATOM 746 N PHE A 49 -6.597 1.922 -4.354 1.00 70.22 N ATOM 747 CA PHE A 49 -5.185 2.152 -4.075 1.00 5.43 C ATOM 748 C PHE A 49 -5.041 2.822 -2.707 1.00 50.33 C ATOM 749 O PHE A 49 -6.026 3.315 -2.141 1.00 73.55 O ATOM 750 CB PHE A 49 -4.547 3.008 -5.182 1.00 41.03 C ATOM 751 CG PHE A 49 -5.307 4.267 -5.523 1.00 74.35 C ATOM 752 CD1 PHE A 49 -5.039 5.476 -4.853 1.00 50.01 C ATOM 753 CD2 PHE A 49 -6.300 4.215 -6.515 1.00 41.44 C ATOM 754 CE1 PHE A 49 -5.758 6.635 -5.191 1.00 12.43 C ATOM 755 CE2 PHE A 49 -7.005 5.375 -6.856 1.00 32.33 C ATOM 756 CZ PHE A 49 -6.729 6.583 -6.204 1.00 53.24 C ATOM 0 H PHE A 49 -7.206 2.570 -3.854 1.00 70.22 H new ATOM 0 HA PHE A 49 -4.660 1.197 -4.055 1.00 5.43 H new ATOM 0 HB2 PHE A 49 -3.538 3.281 -4.875 1.00 41.03 H new ATOM 0 HB3 PHE A 49 -4.453 2.401 -6.083 1.00 41.03 H new ATOM 0 HD1 PHE A 49 -4.284 5.512 -4.082 1.00 50.01 H new ATOM 0 HD2 PHE A 49 -6.519 3.282 -7.013 1.00 41.44 H new ATOM 0 HE1 PHE A 49 -5.564 7.563 -4.673 1.00 12.43 H new ATOM 0 HE2 PHE A 49 -7.764 5.338 -7.624 1.00 32.33 H new ATOM 0 HZ PHE A 49 -7.265 7.479 -6.481 1.00 53.24 H new ATOM 766 N ALA A 50 -3.823 2.836 -2.164 1.00 13.41 N ATOM 767 CA ALA A 50 -3.475 3.462 -0.891 1.00 41.42 C ATOM 768 C ALA A 50 -2.000 3.882 -0.903 1.00 31.30 C ATOM 769 O ALA A 50 -1.258 3.473 -1.793 1.00 41.33 O ATOM 770 CB ALA A 50 -3.762 2.477 0.244 1.00 24.11 C ATOM 0 H ALA A 50 -3.023 2.395 -2.617 1.00 13.41 H new ATOM 0 HA ALA A 50 -4.076 4.358 -0.737 1.00 41.42 H new ATOM 0 HB1 ALA A 50 -3.505 2.937 1.198 1.00 24.11 H new ATOM 0 HB2 ALA A 50 -4.820 2.216 0.240 1.00 24.11 H new ATOM 0 HB3 ALA A 50 -3.166 1.576 0.103 1.00 24.11 H new ATOM 776 N PHE A 51 -1.570 4.683 0.075 1.00 51.33 N ATOM 777 CA PHE A 51 -0.308 5.422 0.044 1.00 51.45 C ATOM 778 C PHE A 51 0.469 5.195 1.337 1.00 41.31 C ATOM 779 O PHE A 51 0.093 5.767 2.356 1.00 64.24 O ATOM 780 CB PHE A 51 -0.610 6.925 -0.091 1.00 12.43 C ATOM 781 CG PHE A 51 -1.414 7.341 -1.299 1.00 25.33 C ATOM 782 CD1 PHE A 51 -0.776 7.538 -2.534 1.00 2.14 C ATOM 783 CD2 PHE A 51 -2.791 7.595 -1.169 1.00 70.32 C ATOM 784 CE1 PHE A 51 -1.514 7.987 -3.639 1.00 41.23 C ATOM 785 CE2 PHE A 51 -3.524 8.063 -2.270 1.00 4.22 C ATOM 786 CZ PHE A 51 -2.886 8.261 -3.508 1.00 72.31 C ATOM 0 H PHE A 51 -2.103 4.839 0.930 1.00 51.33 H new ATOM 0 HA PHE A 51 0.286 5.073 -0.801 1.00 51.45 H new ATOM 0 HB2 PHE A 51 -1.144 7.248 0.803 1.00 12.43 H new ATOM 0 HB3 PHE A 51 0.337 7.464 -0.109 1.00 12.43 H new ATOM 0 HD1 PHE A 51 0.282 7.344 -2.633 1.00 2.14 H new ATOM 0 HD2 PHE A 51 -3.284 7.430 -0.222 1.00 70.32 H new ATOM 0 HE1 PHE A 51 -1.026 8.123 -4.593 1.00 41.23 H new ATOM 0 HE2 PHE A 51 -4.579 8.271 -2.167 1.00 4.22 H new ATOM 0 HZ PHE A 51 -3.449 8.623 -4.356 1.00 72.31 H new ATOM 796 N ILE A 52 1.537 4.404 1.328 1.00 42.11 N ATOM 797 CA ILE A 52 2.489 4.269 2.433 1.00 43.35 C ATOM 798 C ILE A 52 3.393 5.510 2.481 1.00 73.51 C ATOM 799 O ILE A 52 3.782 6.040 1.436 1.00 14.10 O ATOM 800 CB ILE A 52 3.329 2.991 2.229 1.00 32.50 C ATOM 801 CG1 ILE A 52 2.485 1.702 2.083 1.00 33.21 C ATOM 802 CG2 ILE A 52 4.396 2.783 3.315 1.00 62.34 C ATOM 803 CD1 ILE A 52 3.049 0.774 1.005 1.00 62.41 C ATOM 0 H ILE A 52 1.774 3.819 0.527 1.00 42.11 H new ATOM 0 HA ILE A 52 1.954 4.190 3.380 1.00 43.35 H new ATOM 0 HB ILE A 52 3.833 3.169 1.279 1.00 32.50 H new ATOM 0 HG12 ILE A 52 2.457 1.176 3.037 1.00 33.21 H new ATOM 0 HG13 ILE A 52 1.457 1.966 1.834 1.00 33.21 H new ATOM 0 HG21 ILE A 52 4.950 1.867 3.110 1.00 62.34 H new ATOM 0 HG22 ILE A 52 5.083 3.629 3.317 1.00 62.34 H new ATOM 0 HG23 ILE A 52 3.913 2.705 4.289 1.00 62.34 H new ATOM 0 HD11 ILE A 52 2.429 -0.119 0.933 1.00 62.41 H new ATOM 0 HD12 ILE A 52 3.053 1.291 0.045 1.00 62.41 H new ATOM 0 HD13 ILE A 52 4.068 0.488 1.267 1.00 62.41 H new ATOM 815 N GLN A 53 3.756 5.965 3.681 1.00 34.21 N ATOM 816 CA GLN A 53 4.753 6.991 3.956 1.00 63.54 C ATOM 817 C GLN A 53 5.802 6.366 4.882 1.00 45.43 C ATOM 818 O GLN A 53 5.448 5.859 5.947 1.00 22.51 O ATOM 819 CB GLN A 53 4.107 8.211 4.640 1.00 41.04 C ATOM 820 CG GLN A 53 3.361 9.185 3.717 1.00 53.43 C ATOM 821 CD GLN A 53 1.952 8.725 3.367 1.00 65.43 C ATOM 822 OE1 GLN A 53 0.985 9.059 4.040 1.00 64.12 O ATOM 823 NE2 GLN A 53 1.766 8.020 2.274 1.00 44.05 N ATOM 0 H GLN A 53 3.334 5.603 4.536 1.00 34.21 H new ATOM 0 HA GLN A 53 5.206 7.337 3.027 1.00 63.54 H new ATOM 0 HB2 GLN A 53 3.409 7.851 5.396 1.00 41.04 H new ATOM 0 HB3 GLN A 53 4.887 8.764 5.164 1.00 41.04 H new ATOM 0 HG2 GLN A 53 3.308 10.162 4.198 1.00 53.43 H new ATOM 0 HG3 GLN A 53 3.933 9.313 2.798 1.00 53.43 H new ATOM 0 HE21 GLN A 53 2.566 7.737 1.707 1.00 44.05 H new ATOM 0 HE22 GLN A 53 0.822 7.755 1.992 1.00 44.05 H new ATOM 832 N LEU A 54 7.076 6.403 4.484 1.00 64.13 N ATOM 833 CA LEU A 54 8.242 5.898 5.217 1.00 51.13 C ATOM 834 C LEU A 54 9.366 6.944 5.128 1.00 72.51 C ATOM 835 O LEU A 54 9.190 7.983 4.479 1.00 45.05 O ATOM 836 CB LEU A 54 8.675 4.538 4.621 1.00 22.24 C ATOM 837 CG LEU A 54 7.908 3.308 5.139 1.00 54.12 C ATOM 838 CD1 LEU A 54 8.280 2.085 4.293 1.00 25.51 C ATOM 839 CD2 LEU A 54 8.227 3.017 6.606 1.00 13.11 C ATOM 0 H LEU A 54 7.338 6.811 3.587 1.00 64.13 H new ATOM 0 HA LEU A 54 8.001 5.736 6.268 1.00 51.13 H new ATOM 0 HB2 LEU A 54 8.562 4.584 3.538 1.00 22.24 H new ATOM 0 HB3 LEU A 54 9.736 4.394 4.825 1.00 22.24 H new ATOM 0 HG LEU A 54 6.842 3.520 5.059 1.00 54.12 H new ATOM 0 HD11 LEU A 54 7.738 1.212 4.657 1.00 25.51 H new ATOM 0 HD12 LEU A 54 8.014 2.268 3.252 1.00 25.51 H new ATOM 0 HD13 LEU A 54 9.352 1.904 4.367 1.00 25.51 H new ATOM 0 HD21 LEU A 54 7.666 2.142 6.934 1.00 13.11 H new ATOM 0 HD22 LEU A 54 9.294 2.826 6.715 1.00 13.11 H new ATOM 0 HD23 LEU A 54 7.948 3.876 7.216 1.00 13.11 H new ATOM 851 N SER A 55 10.515 6.695 5.770 1.00 50.35 N ATOM 852 CA SER A 55 11.726 7.468 5.576 1.00 2.10 C ATOM 853 C SER A 55 12.188 7.381 4.123 1.00 65.24 C ATOM 854 O SER A 55 11.913 6.394 3.434 1.00 31.13 O ATOM 855 CB SER A 55 12.837 6.858 6.426 1.00 65.31 C ATOM 856 OG SER A 55 12.615 6.917 7.815 1.00 65.33 O ATOM 0 H SER A 55 10.620 5.938 6.446 1.00 50.35 H new ATOM 0 HA SER A 55 11.522 8.503 5.849 1.00 2.10 H new ATOM 0 HB2 SER A 55 12.966 5.815 6.136 1.00 65.31 H new ATOM 0 HB3 SER A 55 13.772 7.370 6.199 1.00 65.31 H new ATOM 0 HG SER A 55 13.370 6.505 8.285 1.00 65.33 H new ATOM 862 N THR A 56 13.002 8.351 3.708 1.00 12.22 N ATOM 863 CA THR A 56 13.540 8.435 2.357 1.00 31.40 C ATOM 864 C THR A 56 14.421 7.228 2.004 1.00 70.13 C ATOM 865 O THR A 56 14.521 6.818 0.847 1.00 52.13 O ATOM 866 CB THR A 56 14.302 9.763 2.200 1.00 32.51 C ATOM 867 OG1 THR A 56 15.352 9.853 3.148 1.00 22.41 O ATOM 868 CG2 THR A 56 13.388 10.971 2.429 1.00 54.03 C ATOM 0 H THR A 56 13.309 9.112 4.314 1.00 12.22 H new ATOM 0 HA THR A 56 12.710 8.412 1.651 1.00 31.40 H new ATOM 0 HB THR A 56 14.690 9.775 1.182 1.00 32.51 H new ATOM 0 HG1 THR A 56 15.826 10.703 3.032 1.00 22.41 H new ATOM 0 HG21 THR A 56 13.962 11.890 2.309 1.00 54.03 H new ATOM 0 HG22 THR A 56 12.575 10.955 1.704 1.00 54.03 H new ATOM 0 HG23 THR A 56 12.976 10.929 3.437 1.00 54.03 H new ATOM 876 N ILE A 57 15.084 6.663 3.011 1.00 41.42 N ATOM 877 CA ILE A 57 15.967 5.520 2.861 1.00 54.33 C ATOM 878 C ILE A 57 15.162 4.231 2.984 1.00 10.23 C ATOM 879 O ILE A 57 15.324 3.337 2.155 1.00 44.24 O ATOM 880 CB ILE A 57 17.079 5.590 3.919 1.00 71.22 C ATOM 881 CG1 ILE A 57 17.796 6.953 3.951 1.00 14.01 C ATOM 882 CG2 ILE A 57 18.092 4.455 3.724 1.00 14.32 C ATOM 883 CD1 ILE A 57 18.442 7.411 2.639 1.00 33.42 C ATOM 0 H ILE A 57 15.017 6.998 3.972 1.00 41.42 H new ATOM 0 HA ILE A 57 16.433 5.534 1.876 1.00 54.33 H new ATOM 0 HB ILE A 57 16.590 5.469 4.886 1.00 71.22 H new ATOM 0 HG12 ILE A 57 17.077 7.711 4.261 1.00 14.01 H new ATOM 0 HG13 ILE A 57 18.569 6.915 4.718 1.00 14.01 H new ATOM 0 HG21 ILE A 57 18.869 4.526 4.485 1.00 14.32 H new ATOM 0 HG22 ILE A 57 17.584 3.495 3.813 1.00 14.32 H new ATOM 0 HG23 ILE A 57 18.544 4.536 2.735 1.00 14.32 H new ATOM 0 HD11 ILE A 57 18.915 8.382 2.786 1.00 33.42 H new ATOM 0 HD12 ILE A 57 19.194 6.684 2.330 1.00 33.42 H new ATOM 0 HD13 ILE A 57 17.678 7.493 1.866 1.00 33.42 H new ATOM 895 N GLU A 58 14.333 4.116 4.027 1.00 30.11 N ATOM 896 CA GLU A 58 13.626 2.881 4.339 1.00 30.52 C ATOM 897 C GLU A 58 12.689 2.504 3.206 1.00 61.34 C ATOM 898 O GLU A 58 12.715 1.355 2.772 1.00 64.51 O ATOM 899 CB GLU A 58 12.837 2.990 5.649 1.00 42.21 C ATOM 900 CG GLU A 58 13.746 3.116 6.883 1.00 73.11 C ATOM 901 CD GLU A 58 13.392 2.069 7.940 1.00 45.23 C ATOM 902 OE1 GLU A 58 14.267 1.228 8.264 1.00 51.21 O ATOM 903 OE2 GLU A 58 12.241 2.088 8.435 1.00 45.01 O ATOM 0 H GLU A 58 14.137 4.879 4.675 1.00 30.11 H new ATOM 0 HA GLU A 58 14.378 2.102 4.462 1.00 30.52 H new ATOM 0 HB2 GLU A 58 12.177 3.856 5.599 1.00 42.21 H new ATOM 0 HB3 GLU A 58 12.202 2.111 5.759 1.00 42.21 H new ATOM 0 HG2 GLU A 58 14.788 2.997 6.584 1.00 73.11 H new ATOM 0 HG3 GLU A 58 13.648 4.114 7.309 1.00 73.11 H new ATOM 910 N ALA A 59 11.905 3.468 2.702 1.00 3.24 N ATOM 911 CA ALA A 59 10.989 3.232 1.600 1.00 3.30 C ATOM 912 C ALA A 59 11.742 2.583 0.443 1.00 21.32 C ATOM 913 O ALA A 59 11.375 1.496 0.009 1.00 10.04 O ATOM 914 CB ALA A 59 10.349 4.550 1.158 1.00 61.22 C ATOM 0 H ALA A 59 11.895 4.426 3.052 1.00 3.24 H new ATOM 0 HA ALA A 59 10.195 2.559 1.924 1.00 3.30 H new ATOM 0 HB1 ALA A 59 9.664 4.363 0.331 1.00 61.22 H new ATOM 0 HB2 ALA A 59 9.800 4.986 1.993 1.00 61.22 H new ATOM 0 HB3 ALA A 59 11.127 5.242 0.835 1.00 61.22 H new ATOM 920 N ALA A 60 12.812 3.237 -0.012 1.00 63.15 N ATOM 921 CA ALA A 60 13.664 2.755 -1.080 1.00 64.34 C ATOM 922 C ALA A 60 14.203 1.356 -0.771 1.00 64.24 C ATOM 923 O ALA A 60 13.989 0.443 -1.562 1.00 32.32 O ATOM 924 CB ALA A 60 14.796 3.763 -1.308 1.00 22.44 C ATOM 0 H ALA A 60 13.110 4.136 0.366 1.00 63.15 H new ATOM 0 HA ALA A 60 13.081 2.666 -1.997 1.00 64.34 H new ATOM 0 HB1 ALA A 60 15.443 3.408 -2.111 1.00 22.44 H new ATOM 0 HB2 ALA A 60 14.373 4.729 -1.583 1.00 22.44 H new ATOM 0 HB3 ALA A 60 15.378 3.869 -0.393 1.00 22.44 H new ATOM 930 N GLN A 61 14.908 1.176 0.351 1.00 12.14 N ATOM 931 CA GLN A 61 15.585 -0.076 0.684 1.00 3.20 C ATOM 932 C GLN A 61 14.624 -1.249 0.658 1.00 54.44 C ATOM 933 O GLN A 61 14.917 -2.260 0.023 1.00 31.32 O ATOM 934 CB GLN A 61 16.204 -0.019 2.092 1.00 72.43 C ATOM 935 CG GLN A 61 17.562 0.677 2.138 1.00 24.42 C ATOM 936 CD GLN A 61 18.237 0.540 3.501 1.00 31.14 C ATOM 937 OE1 GLN A 61 19.454 0.379 3.589 1.00 25.32 O ATOM 938 NE2 GLN A 61 17.507 0.606 4.601 1.00 12.32 N ATOM 0 H GLN A 61 15.024 1.903 1.057 1.00 12.14 H new ATOM 0 HA GLN A 61 16.364 -0.211 -0.067 1.00 3.20 H new ATOM 0 HB2 GLN A 61 15.517 0.500 2.760 1.00 72.43 H new ATOM 0 HB3 GLN A 61 16.313 -1.035 2.473 1.00 72.43 H new ATOM 0 HG2 GLN A 61 18.210 0.255 1.370 1.00 24.42 H new ATOM 0 HG3 GLN A 61 17.435 1.734 1.903 1.00 24.42 H new ATOM 0 HE21 GLN A 61 16.498 0.739 4.536 1.00 12.32 H new ATOM 0 HE22 GLN A 61 17.953 0.524 5.515 1.00 12.32 H new ATOM 947 N LEU A 62 13.526 -1.124 1.396 1.00 12.23 N ATOM 948 CA LEU A 62 12.555 -2.178 1.609 1.00 33.52 C ATOM 949 C LEU A 62 11.843 -2.489 0.297 1.00 2.00 C ATOM 950 O LEU A 62 11.635 -3.652 -0.041 1.00 34.12 O ATOM 951 CB LEU A 62 11.585 -1.682 2.688 1.00 2.40 C ATOM 952 CG LEU A 62 10.896 -2.747 3.543 1.00 34.24 C ATOM 953 CD1 LEU A 62 10.316 -3.936 2.790 1.00 14.14 C ATOM 954 CD2 LEU A 62 11.834 -3.270 4.636 1.00 25.52 C ATOM 0 H LEU A 62 13.285 -0.257 1.875 1.00 12.23 H new ATOM 0 HA LEU A 62 13.024 -3.104 1.941 1.00 33.52 H new ATOM 0 HB2 LEU A 62 12.131 -1.014 3.354 1.00 2.40 H new ATOM 0 HB3 LEU A 62 10.813 -1.086 2.202 1.00 2.40 H new ATOM 0 HG LEU A 62 10.045 -2.215 3.968 1.00 34.24 H new ATOM 0 HD11 LEU A 62 9.854 -4.624 3.497 1.00 14.14 H new ATOM 0 HD12 LEU A 62 9.566 -3.587 2.081 1.00 14.14 H new ATOM 0 HD13 LEU A 62 11.113 -4.450 2.252 1.00 14.14 H new ATOM 0 HD21 LEU A 62 11.317 -4.026 5.228 1.00 25.52 H new ATOM 0 HD22 LEU A 62 12.718 -3.711 4.176 1.00 25.52 H new ATOM 0 HD23 LEU A 62 12.135 -2.446 5.283 1.00 25.52 H new ATOM 966 N LEU A 63 11.527 -1.455 -0.483 1.00 12.31 N ATOM 967 CA LEU A 63 10.833 -1.603 -1.745 1.00 50.21 C ATOM 968 C LEU A 63 11.623 -2.509 -2.685 1.00 51.41 C ATOM 969 O LEU A 63 11.007 -3.363 -3.318 1.00 45.05 O ATOM 970 CB LEU A 63 10.585 -0.222 -2.365 1.00 25.11 C ATOM 971 CG LEU A 63 9.959 -0.245 -3.775 1.00 4.44 C ATOM 972 CD1 LEU A 63 8.580 0.417 -3.774 1.00 25.13 C ATOM 973 CD2 LEU A 63 10.889 0.475 -4.753 1.00 52.22 C ATOM 0 H LEU A 63 11.751 -0.488 -0.248 1.00 12.31 H new ATOM 0 HA LEU A 63 9.866 -2.076 -1.573 1.00 50.21 H new ATOM 0 HB2 LEU A 63 9.931 0.345 -1.703 1.00 25.11 H new ATOM 0 HB3 LEU A 63 11.533 0.314 -2.413 1.00 25.11 H new ATOM 0 HG LEU A 63 9.832 -1.282 -4.086 1.00 4.44 H new ATOM 0 HD11 LEU A 63 8.161 0.387 -4.780 1.00 25.13 H new ATOM 0 HD12 LEU A 63 7.920 -0.117 -3.090 1.00 25.13 H new ATOM 0 HD13 LEU A 63 8.674 1.454 -3.451 1.00 25.13 H new ATOM 0 HD21 LEU A 63 10.450 0.461 -5.750 1.00 52.22 H new ATOM 0 HD22 LEU A 63 11.026 1.508 -4.432 1.00 52.22 H new ATOM 0 HD23 LEU A 63 11.855 -0.029 -4.775 1.00 52.22 H new ATOM 985 N GLN A 64 12.954 -2.360 -2.753 1.00 10.21 N ATOM 986 CA GLN A 64 13.778 -3.192 -3.633 1.00 72.11 C ATOM 987 C GLN A 64 13.628 -4.683 -3.288 1.00 41.42 C ATOM 988 O GLN A 64 13.691 -5.530 -4.179 1.00 32.44 O ATOM 989 CB GLN A 64 15.269 -2.835 -3.489 1.00 53.12 C ATOM 990 CG GLN A 64 15.696 -1.401 -3.826 1.00 74.45 C ATOM 991 CD GLN A 64 15.655 -1.043 -5.305 1.00 73.23 C ATOM 992 OE1 GLN A 64 16.697 -0.934 -5.952 1.00 4.31 O ATOM 993 NE2 GLN A 64 14.471 -0.782 -5.833 1.00 51.41 N ATOM 0 H GLN A 64 13.478 -1.673 -2.211 1.00 10.21 H new ATOM 0 HA GLN A 64 13.437 -3.004 -4.651 1.00 72.11 H new ATOM 0 HB2 GLN A 64 15.565 -3.040 -2.460 1.00 53.12 H new ATOM 0 HB3 GLN A 64 15.839 -3.512 -4.125 1.00 53.12 H new ATOM 0 HG2 GLN A 64 15.051 -0.710 -3.283 1.00 74.45 H new ATOM 0 HG3 GLN A 64 16.710 -1.245 -3.459 1.00 74.45 H new ATOM 0 HE21 GLN A 64 13.627 -0.883 -5.268 1.00 51.41 H new ATOM 0 HE22 GLN A 64 14.401 -0.480 -6.805 1.00 51.41 H new ATOM 1002 N ILE A 65 13.451 -5.016 -2.004 1.00 71.43 N ATOM 1003 CA ILE A 65 13.317 -6.386 -1.509 1.00 73.11 C ATOM 1004 C ILE A 65 12.067 -6.996 -2.158 1.00 35.34 C ATOM 1005 O ILE A 65 12.153 -8.016 -2.848 1.00 32.40 O ATOM 1006 CB ILE A 65 13.267 -6.405 0.046 1.00 0.00 C ATOM 1007 CG1 ILE A 65 14.410 -5.583 0.678 1.00 15.00 C ATOM 1008 CG2 ILE A 65 13.317 -7.835 0.587 1.00 2.03 C ATOM 1009 CD1 ILE A 65 14.408 -5.562 2.212 1.00 53.15 C ATOM 0 H ILE A 65 13.396 -4.318 -1.262 1.00 71.43 H new ATOM 0 HA ILE A 65 14.182 -6.990 -1.782 1.00 73.11 H new ATOM 0 HB ILE A 65 12.318 -5.946 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.363 -5.986 0.334 1.00 15.00 H new ATOM 0 HG13 ILE A 65 14.347 -4.558 0.313 1.00 15.00 H new ATOM 0 HG21 ILE A 65 13.280 -7.813 1.676 1.00 2.03 H new ATOM 0 HG22 ILE A 65 12.465 -8.398 0.206 1.00 2.03 H new ATOM 0 HG23 ILE A 65 14.242 -8.314 0.265 1.00 2.03 H new ATOM 0 HD11 ILE A 65 15.245 -4.962 2.569 1.00 53.15 H new ATOM 0 HD12 ILE A 65 13.473 -5.130 2.569 1.00 53.15 H new ATOM 0 HD13 ILE A 65 14.504 -6.580 2.590 1.00 53.15 H new ATOM 1021 N LEU A 66 10.922 -6.328 -1.988 1.00 20.54 N ATOM 1022 CA LEU A 66 9.645 -6.659 -2.608 1.00 53.14 C ATOM 1023 C LEU A 66 9.665 -6.693 -4.141 1.00 11.30 C ATOM 1024 O LEU A 66 8.711 -7.195 -4.731 1.00 13.00 O ATOM 1025 CB LEU A 66 8.513 -5.722 -2.157 1.00 22.54 C ATOM 1026 CG LEU A 66 7.931 -5.936 -0.750 1.00 63.32 C ATOM 1027 CD1 LEU A 66 7.701 -7.401 -0.377 1.00 43.25 C ATOM 1028 CD2 LEU A 66 8.808 -5.307 0.319 1.00 40.22 C ATOM 0 H LEU A 66 10.862 -5.506 -1.387 1.00 20.54 H new ATOM 0 HA LEU A 66 9.455 -7.674 -2.258 1.00 53.14 H new ATOM 0 HB2 LEU A 66 8.881 -4.698 -2.216 1.00 22.54 H new ATOM 0 HB3 LEU A 66 7.698 -5.810 -2.875 1.00 22.54 H new ATOM 0 HG LEU A 66 6.958 -5.447 -0.789 1.00 63.32 H new ATOM 0 HD11 LEU A 66 7.289 -7.460 0.631 1.00 43.25 H new ATOM 0 HD12 LEU A 66 7.001 -7.850 -1.082 1.00 43.25 H new ATOM 0 HD13 LEU A 66 8.648 -7.939 -0.414 1.00 43.25 H new ATOM 0 HD21 LEU A 66 8.365 -5.478 1.300 1.00 40.22 H new ATOM 0 HD22 LEU A 66 9.801 -5.756 0.286 1.00 40.22 H new ATOM 0 HD23 LEU A 66 8.888 -4.235 0.139 1.00 40.22 H new ATOM 1040 N GLN A 67 10.692 -6.159 -4.800 1.00 44.03 N ATOM 1041 CA GLN A 67 10.818 -6.186 -6.255 1.00 55.02 C ATOM 1042 C GLN A 67 11.721 -7.325 -6.732 1.00 12.11 C ATOM 1043 O GLN A 67 12.147 -7.328 -7.887 1.00 21.20 O ATOM 1044 CB GLN A 67 11.318 -4.815 -6.723 1.00 52.23 C ATOM 1045 CG GLN A 67 10.212 -3.778 -6.502 1.00 62.11 C ATOM 1046 CD GLN A 67 10.660 -2.363 -6.850 1.00 10.32 C ATOM 1047 OE1 GLN A 67 11.808 -1.988 -6.633 1.00 45.04 O ATOM 1048 NE2 GLN A 67 9.768 -1.536 -7.365 1.00 62.35 N ATOM 0 H GLN A 67 11.468 -5.690 -4.333 1.00 44.03 H new ATOM 0 HA GLN A 67 9.843 -6.384 -6.700 1.00 55.02 H new ATOM 0 HB2 GLN A 67 12.214 -4.533 -6.171 1.00 52.23 H new ATOM 0 HB3 GLN A 67 11.592 -4.854 -7.777 1.00 52.23 H new ATOM 0 HG2 GLN A 67 9.346 -4.041 -7.109 1.00 62.11 H new ATOM 0 HG3 GLN A 67 9.893 -3.809 -5.460 1.00 62.11 H new ATOM 0 HE21 GLN A 67 8.816 -1.858 -7.542 1.00 62.35 H new ATOM 0 HE22 GLN A 67 10.031 -0.576 -7.586 1.00 62.35 H new ATOM 1057 N ALA A 68 12.020 -8.293 -5.867 1.00 11.43 N ATOM 1058 CA ALA A 68 12.976 -9.356 -6.163 1.00 42.31 C ATOM 1059 C ALA A 68 12.615 -10.725 -5.574 1.00 42.31 C ATOM 1060 O ALA A 68 13.464 -11.622 -5.579 1.00 1.12 O ATOM 1061 CB ALA A 68 14.336 -8.906 -5.625 1.00 14.10 C ATOM 0 H ALA A 68 11.604 -8.361 -4.938 1.00 11.43 H new ATOM 0 HA ALA A 68 12.978 -9.505 -7.243 1.00 42.31 H new ATOM 0 HB1 ALA A 68 15.080 -9.676 -5.827 1.00 14.10 H new ATOM 0 HB2 ALA A 68 14.632 -7.978 -6.114 1.00 14.10 H new ATOM 0 HB3 ALA A 68 14.266 -8.743 -4.550 1.00 14.10 H new ATOM 1067 N LEU A 69 11.387 -10.936 -5.103 1.00 22.24 N ATOM 1068 CA LEU A 69 10.988 -12.095 -4.300 1.00 75.31 C ATOM 1069 C LEU A 69 9.659 -12.702 -4.756 1.00 51.42 C ATOM 1070 O LEU A 69 9.200 -12.420 -5.863 1.00 64.43 O ATOM 1071 CB LEU A 69 11.020 -11.754 -2.813 1.00 35.32 C ATOM 1072 CG LEU A 69 10.032 -10.696 -2.303 1.00 33.52 C ATOM 1073 CD1 LEU A 69 9.138 -9.970 -3.309 1.00 42.45 C ATOM 1074 CD2 LEU A 69 9.133 -11.253 -1.206 1.00 55.25 C ATOM 0 H LEU A 69 10.618 -10.287 -5.274 1.00 22.24 H new ATOM 0 HA LEU A 69 11.722 -12.884 -4.464 1.00 75.31 H new ATOM 0 HB2 LEU A 69 10.845 -12.673 -2.254 1.00 35.32 H new ATOM 0 HB3 LEU A 69 12.028 -11.418 -2.567 1.00 35.32 H new ATOM 0 HG LEU A 69 10.728 -9.936 -1.949 1.00 33.52 H new ATOM 0 HD11 LEU A 69 8.502 -9.258 -2.783 1.00 42.45 H new ATOM 0 HD12 LEU A 69 9.759 -9.438 -4.030 1.00 42.45 H new ATOM 0 HD13 LEU A 69 8.515 -10.696 -3.832 1.00 42.45 H new ATOM 0 HD21 LEU A 69 8.446 -10.476 -0.869 1.00 55.25 H new ATOM 0 HD22 LEU A 69 8.563 -12.097 -1.596 1.00 55.25 H new ATOM 0 HD23 LEU A 69 9.745 -11.585 -0.367 1.00 55.25 H new ATOM 1086 N HIS A 70 9.031 -13.529 -3.918 1.00 43.04 N ATOM 1087 CA HIS A 70 7.720 -14.082 -4.216 1.00 42.15 C ATOM 1088 C HIS A 70 6.637 -12.980 -4.124 1.00 14.03 C ATOM 1089 O HIS A 70 6.725 -12.094 -3.275 1.00 11.42 O ATOM 1090 CB HIS A 70 7.401 -15.232 -3.253 1.00 1.10 C ATOM 1091 CG HIS A 70 7.228 -14.866 -1.804 1.00 13.21 C ATOM 1092 ND1 HIS A 70 8.163 -14.960 -0.797 1.00 40.41 N ATOM 1093 CD2 HIS A 70 6.018 -14.600 -1.226 1.00 63.41 C ATOM 1094 CE1 HIS A 70 7.521 -14.762 0.369 1.00 75.44 C ATOM 1095 NE2 HIS A 70 6.208 -14.565 0.154 1.00 3.31 N ATOM 0 H HIS A 70 9.417 -13.829 -3.023 1.00 43.04 H new ATOM 0 HA HIS A 70 7.727 -14.473 -5.234 1.00 42.15 H new ATOM 0 HB2 HIS A 70 6.487 -15.718 -3.593 1.00 1.10 H new ATOM 0 HB3 HIS A 70 8.200 -15.969 -3.326 1.00 1.10 H new ATOM 0 HD2 HIS A 70 5.084 -14.445 -1.745 1.00 63.41 H new ATOM 0 HE1 HIS A 70 7.993 -14.761 1.340 1.00 75.44 H new ATOM 0 HE2 HIS A 70 5.490 -14.418 0.864 1.00 3.31 H new ATOM 1103 N PRO A 71 5.583 -13.034 -4.946 1.00 0.32 N ATOM 1104 CA PRO A 71 4.519 -12.036 -4.985 1.00 13.33 C ATOM 1105 C PRO A 71 3.666 -12.009 -3.702 1.00 12.30 C ATOM 1106 O PRO A 71 3.774 -12.902 -2.855 1.00 42.32 O ATOM 1107 CB PRO A 71 3.693 -12.392 -6.223 1.00 43.34 C ATOM 1108 CG PRO A 71 3.956 -13.879 -6.433 1.00 13.13 C ATOM 1109 CD PRO A 71 5.388 -14.046 -5.954 1.00 44.43 C ATOM 0 HA PRO A 71 4.928 -11.027 -5.041 1.00 13.33 H new ATOM 0 HB2 PRO A 71 2.633 -12.193 -6.065 1.00 43.34 H new ATOM 0 HB3 PRO A 71 4.001 -11.807 -7.089 1.00 43.34 H new ATOM 0 HG2 PRO A 71 3.264 -14.496 -5.859 1.00 13.13 H new ATOM 0 HG3 PRO A 71 3.845 -14.164 -7.479 1.00 13.13 H new ATOM 0 HD2 PRO A 71 5.550 -15.043 -5.544 1.00 44.43 H new ATOM 0 HD3 PRO A 71 6.093 -13.921 -6.776 1.00 44.43 H new ATOM 1117 N PRO A 72 2.800 -10.995 -3.534 1.00 73.11 N ATOM 1118 CA PRO A 72 2.040 -10.811 -2.305 1.00 73.15 C ATOM 1119 C PRO A 72 0.928 -11.853 -2.103 1.00 4.41 C ATOM 1120 O PRO A 72 0.355 -12.391 -3.056 1.00 31.40 O ATOM 1121 CB PRO A 72 1.476 -9.394 -2.390 1.00 33.54 C ATOM 1122 CG PRO A 72 1.402 -9.131 -3.883 1.00 63.23 C ATOM 1123 CD PRO A 72 2.643 -9.837 -4.403 1.00 0.03 C ATOM 0 HA PRO A 72 2.685 -10.951 -1.437 1.00 73.15 H new ATOM 0 HB2 PRO A 72 0.495 -9.324 -1.921 1.00 33.54 H new ATOM 0 HB3 PRO A 72 2.122 -8.674 -1.887 1.00 33.54 H new ATOM 0 HG2 PRO A 72 0.490 -9.537 -4.322 1.00 63.23 H new ATOM 0 HG3 PRO A 72 1.417 -8.065 -4.109 1.00 63.23 H new ATOM 0 HD2 PRO A 72 2.521 -10.136 -5.444 1.00 0.03 H new ATOM 0 HD3 PRO A 72 3.517 -9.187 -4.358 1.00 0.03 H new ATOM 1131 N LEU A 73 0.563 -12.055 -0.836 1.00 40.42 N ATOM 1132 CA LEU A 73 -0.534 -12.874 -0.333 1.00 4.30 C ATOM 1133 C LEU A 73 -1.833 -12.111 -0.592 1.00 74.43 C ATOM 1134 O LEU A 73 -1.972 -10.958 -0.180 1.00 32.22 O ATOM 1135 CB LEU A 73 -0.253 -13.114 1.162 1.00 53.42 C ATOM 1136 CG LEU A 73 -1.112 -14.183 1.867 1.00 44.42 C ATOM 1137 CD1 LEU A 73 -0.464 -14.540 3.208 1.00 4.20 C ATOM 1138 CD2 LEU A 73 -2.536 -13.722 2.150 1.00 31.51 C ATOM 0 H LEU A 73 1.073 -11.610 -0.073 1.00 40.42 H new ATOM 0 HA LEU A 73 -0.625 -13.844 -0.822 1.00 4.30 H new ATOM 0 HB2 LEU A 73 0.795 -13.394 1.270 1.00 53.42 H new ATOM 0 HB3 LEU A 73 -0.386 -12.169 1.689 1.00 53.42 H new ATOM 0 HG LEU A 73 -1.163 -15.037 1.191 1.00 44.42 H new ATOM 0 HD11 LEU A 73 -1.066 -15.296 3.713 1.00 4.20 H new ATOM 0 HD12 LEU A 73 0.539 -14.931 3.035 1.00 4.20 H new ATOM 0 HD13 LEU A 73 -0.403 -13.648 3.832 1.00 4.20 H new ATOM 0 HD21 LEU A 73 -3.085 -14.522 2.647 1.00 31.51 H new ATOM 0 HD22 LEU A 73 -2.513 -12.843 2.794 1.00 31.51 H new ATOM 0 HD23 LEU A 73 -3.030 -13.471 1.212 1.00 31.51 H new ATOM 1150 N THR A 74 -2.752 -12.682 -1.368 1.00 1.14 N ATOM 1151 CA THR A 74 -4.063 -12.075 -1.627 1.00 63.35 C ATOM 1152 C THR A 74 -5.017 -12.452 -0.493 1.00 73.23 C ATOM 1153 O THR A 74 -5.076 -13.613 -0.095 1.00 71.31 O ATOM 1154 CB THR A 74 -4.589 -12.468 -3.020 1.00 13.41 C ATOM 1155 OG1 THR A 74 -5.973 -12.296 -3.146 1.00 75.32 O ATOM 1156 CG2 THR A 74 -4.302 -13.890 -3.462 1.00 21.14 C ATOM 0 H THR A 74 -2.612 -13.577 -1.836 1.00 1.14 H new ATOM 0 HA THR A 74 -3.977 -10.988 -1.643 1.00 63.35 H new ATOM 0 HB THR A 74 -4.030 -11.784 -3.659 1.00 13.41 H new ATOM 0 HG1 THR A 74 -6.408 -13.173 -3.198 1.00 75.32 H new ATOM 0 HG21 THR A 74 -4.718 -14.053 -4.456 1.00 21.14 H new ATOM 0 HG22 THR A 74 -3.224 -14.052 -3.489 1.00 21.14 H new ATOM 0 HG23 THR A 74 -4.757 -14.588 -2.759 1.00 21.14 H new ATOM 1164 N ILE A 75 -5.784 -11.483 0.017 1.00 72.32 N ATOM 1165 CA ILE A 75 -6.605 -11.664 1.221 1.00 24.33 C ATOM 1166 C ILE A 75 -8.097 -11.439 0.909 1.00 52.23 C ATOM 1167 O ILE A 75 -8.921 -11.302 1.814 1.00 71.11 O ATOM 1168 CB ILE A 75 -6.100 -10.741 2.369 1.00 64.52 C ATOM 1169 CG1 ILE A 75 -4.590 -10.394 2.362 1.00 41.44 C ATOM 1170 CG2 ILE A 75 -6.395 -11.395 3.727 1.00 75.15 C ATOM 1171 CD1 ILE A 75 -4.259 -9.097 1.624 1.00 62.35 C ATOM 0 H ILE A 75 -5.854 -10.551 -0.392 1.00 72.32 H new ATOM 0 HA ILE A 75 -6.503 -12.694 1.562 1.00 24.33 H new ATOM 0 HB ILE A 75 -6.638 -9.808 2.202 1.00 64.52 H new ATOM 0 HG12 ILE A 75 -4.240 -10.315 3.391 1.00 41.44 H new ATOM 0 HG13 ILE A 75 -4.040 -11.214 1.900 1.00 41.44 H new ATOM 0 HG21 ILE A 75 -6.040 -10.746 4.528 1.00 75.15 H new ATOM 0 HG22 ILE A 75 -7.469 -11.547 3.832 1.00 75.15 H new ATOM 0 HG23 ILE A 75 -5.885 -12.357 3.786 1.00 75.15 H new ATOM 0 HD11 ILE A 75 -3.184 -8.921 1.662 1.00 62.35 H new ATOM 0 HD12 ILE A 75 -4.577 -9.178 0.585 1.00 62.35 H new ATOM 0 HD13 ILE A 75 -4.780 -8.265 2.099 1.00 62.35 H new ATOM 1183 N ASP A 76 -8.452 -11.402 -0.379 1.00 61.23 N ATOM 1184 CA ASP A 76 -9.827 -11.259 -0.885 1.00 53.31 C ATOM 1185 C ASP A 76 -9.854 -11.542 -2.396 1.00 21.51 C ATOM 1186 O ASP A 76 -10.533 -10.861 -3.168 1.00 62.34 O ATOM 1187 CB ASP A 76 -10.379 -9.852 -0.566 1.00 35.32 C ATOM 1188 CG ASP A 76 -11.883 -9.821 -0.305 1.00 52.02 C ATOM 1189 OD1 ASP A 76 -12.384 -10.600 0.532 1.00 74.12 O ATOM 1190 OD2 ASP A 76 -12.551 -8.842 -0.725 1.00 41.04 O ATOM 0 H ASP A 76 -7.765 -11.473 -1.130 1.00 61.23 H new ATOM 0 HA ASP A 76 -10.471 -11.984 -0.387 1.00 53.31 H new ATOM 0 HB2 ASP A 76 -9.860 -9.459 0.308 1.00 35.32 H new ATOM 0 HB3 ASP A 76 -10.151 -9.186 -1.398 1.00 35.32 H new ATOM 1195 N GLY A 77 -8.988 -12.451 -2.863 1.00 12.03 N ATOM 1196 CA GLY A 77 -8.870 -12.811 -4.272 1.00 20.51 C ATOM 1197 C GLY A 77 -8.400 -11.667 -5.173 1.00 60.45 C ATOM 1198 O GLY A 77 -8.574 -11.751 -6.391 1.00 72.55 O ATOM 0 H GLY A 77 -8.343 -12.961 -2.260 1.00 12.03 H new ATOM 0 HA2 GLY A 77 -8.172 -13.643 -4.366 1.00 20.51 H new ATOM 0 HA3 GLY A 77 -9.838 -13.165 -4.628 1.00 20.51 H new ATOM 1202 N LYS A 78 -7.742 -10.650 -4.605 1.00 14.44 N ATOM 1203 CA LYS A 78 -7.104 -9.523 -5.269 1.00 13.42 C ATOM 1204 C LYS A 78 -5.624 -9.544 -4.920 1.00 63.55 C ATOM 1205 O LYS A 78 -5.275 -9.377 -3.753 1.00 33.24 O ATOM 1206 CB LYS A 78 -7.779 -8.203 -4.860 1.00 74.43 C ATOM 1207 CG LYS A 78 -8.326 -8.088 -3.421 1.00 22.30 C ATOM 1208 CD LYS A 78 -7.375 -7.670 -2.292 1.00 54.12 C ATOM 1209 CE LYS A 78 -8.109 -7.473 -0.957 1.00 55.14 C ATOM 1210 NZ LYS A 78 -7.367 -6.675 0.040 1.00 22.11 N ATOM 0 H LYS A 78 -7.638 -10.596 -3.592 1.00 14.44 H new ATOM 0 HA LYS A 78 -7.213 -9.603 -6.351 1.00 13.42 H new ATOM 0 HB2 LYS A 78 -7.059 -7.399 -5.009 1.00 74.43 H new ATOM 0 HB3 LYS A 78 -8.605 -8.023 -5.547 1.00 74.43 H new ATOM 0 HG2 LYS A 78 -9.149 -7.374 -3.439 1.00 22.30 H new ATOM 0 HG3 LYS A 78 -8.750 -9.056 -3.152 1.00 22.30 H new ATOM 0 HD2 LYS A 78 -6.602 -8.429 -2.171 1.00 54.12 H new ATOM 0 HD3 LYS A 78 -6.872 -6.743 -2.568 1.00 54.12 H new ATOM 0 HE2 LYS A 78 -9.066 -6.989 -1.151 1.00 55.14 H new ATOM 0 HE3 LYS A 78 -8.328 -8.452 -0.530 1.00 55.14 H new ATOM 0 HZ1 LYS A 78 -7.933 -6.591 0.909 1.00 22.11 H new ATOM 0 HZ2 LYS A 78 -6.465 -7.144 0.258 1.00 22.11 H new ATOM 0 HZ3 LYS A 78 -7.180 -5.727 -0.344 1.00 22.11 H new ATOM 1224 N THR A 79 -4.750 -9.823 -5.882 1.00 4.44 N ATOM 1225 CA THR A 79 -3.322 -9.801 -5.609 1.00 72.32 C ATOM 1226 C THR A 79 -2.817 -8.361 -5.737 1.00 20.21 C ATOM 1227 O THR A 79 -3.081 -7.688 -6.732 1.00 53.32 O ATOM 1228 CB THR A 79 -2.588 -10.821 -6.481 1.00 61.51 C ATOM 1229 OG1 THR A 79 -3.145 -12.115 -6.310 1.00 44.14 O ATOM 1230 CG2 THR A 79 -1.126 -10.946 -6.052 1.00 75.22 C ATOM 0 H THR A 79 -5.002 -10.063 -6.841 1.00 4.44 H new ATOM 0 HA THR A 79 -3.112 -10.115 -4.586 1.00 72.32 H new ATOM 0 HB THR A 79 -2.677 -10.475 -7.511 1.00 61.51 H new ATOM 0 HG1 THR A 79 -2.665 -12.755 -6.876 1.00 44.14 H new ATOM 0 HG21 THR A 79 -0.622 -11.676 -6.685 1.00 75.22 H new ATOM 0 HG22 THR A 79 -0.634 -9.979 -6.152 1.00 75.22 H new ATOM 0 HG23 THR A 79 -1.078 -11.272 -5.013 1.00 75.22 H new ATOM 1238 N ILE A 80 -2.162 -7.858 -4.692 1.00 74.14 N ATOM 1239 CA ILE A 80 -1.720 -6.471 -4.588 1.00 0.33 C ATOM 1240 C ILE A 80 -0.551 -6.223 -5.558 1.00 43.01 C ATOM 1241 O ILE A 80 0.030 -7.160 -6.108 1.00 63.53 O ATOM 1242 CB ILE A 80 -1.436 -6.138 -3.098 1.00 64.12 C ATOM 1243 CG1 ILE A 80 -2.619 -6.521 -2.170 1.00 21.30 C ATOM 1244 CG2 ILE A 80 -1.105 -4.652 -2.860 1.00 51.43 C ATOM 1245 CD1 ILE A 80 -3.995 -6.048 -2.653 1.00 32.42 C ATOM 0 H ILE A 80 -1.919 -8.418 -3.875 1.00 74.14 H new ATOM 0 HA ILE A 80 -2.496 -5.773 -4.901 1.00 0.33 H new ATOM 0 HB ILE A 80 -0.562 -6.740 -2.850 1.00 64.12 H new ATOM 0 HG12 ILE A 80 -2.641 -7.605 -2.061 1.00 21.30 H new ATOM 0 HG13 ILE A 80 -2.435 -6.105 -1.179 1.00 21.30 H new ATOM 0 HG21 ILE A 80 -0.917 -4.486 -1.799 1.00 51.43 H new ATOM 0 HG22 ILE A 80 -0.218 -4.381 -3.432 1.00 51.43 H new ATOM 0 HG23 ILE A 80 -1.946 -4.036 -3.180 1.00 51.43 H new ATOM 0 HD11 ILE A 80 -4.758 -6.362 -1.941 1.00 32.42 H new ATOM 0 HD12 ILE A 80 -3.999 -4.961 -2.733 1.00 32.42 H new ATOM 0 HD13 ILE A 80 -4.208 -6.485 -3.629 1.00 32.42 H new ATOM 1257 N ASN A 81 -0.226 -4.952 -5.798 1.00 63.52 N ATOM 1258 CA ASN A 81 0.850 -4.469 -6.670 1.00 24.50 C ATOM 1259 C ASN A 81 1.800 -3.580 -5.862 1.00 1.44 C ATOM 1260 O ASN A 81 1.385 -3.049 -4.825 1.00 30.41 O ATOM 1261 CB ASN A 81 0.221 -3.667 -7.823 1.00 62.55 C ATOM 1262 CG ASN A 81 0.210 -4.438 -9.129 1.00 73.21 C ATOM 1263 OD1 ASN A 81 0.689 -3.958 -10.146 1.00 12.24 O ATOM 1264 ND2 ASN A 81 -0.378 -5.617 -9.137 1.00 31.34 N ATOM 0 H ASN A 81 -0.737 -4.184 -5.363 1.00 63.52 H new ATOM 0 HA ASN A 81 1.417 -5.307 -7.075 1.00 24.50 H new ATOM 0 HB2 ASN A 81 -0.800 -3.395 -7.557 1.00 62.55 H new ATOM 0 HB3 ASN A 81 0.774 -2.737 -7.958 1.00 62.55 H new ATOM 0 HD21 ASN A 81 -0.441 -6.150 -10.005 1.00 31.34 H new ATOM 0 HD22 ASN A 81 -0.770 -5.997 -8.276 1.00 31.34 H new ATOM 1271 N VAL A 82 3.012 -3.327 -6.357 1.00 32.44 N ATOM 1272 CA VAL A 82 3.931 -2.297 -5.870 1.00 74.32 C ATOM 1273 C VAL A 82 3.913 -1.110 -6.835 1.00 63.51 C ATOM 1274 O VAL A 82 3.886 -1.304 -8.047 1.00 73.52 O ATOM 1275 CB VAL A 82 5.365 -2.869 -5.736 1.00 4.40 C ATOM 1276 CG1 VAL A 82 6.336 -1.833 -5.146 1.00 53.01 C ATOM 1277 CG2 VAL A 82 5.427 -4.074 -4.784 1.00 32.24 C ATOM 0 H VAL A 82 3.396 -3.856 -7.140 1.00 32.44 H new ATOM 0 HA VAL A 82 3.610 -1.963 -4.883 1.00 74.32 H new ATOM 0 HB VAL A 82 5.645 -3.155 -6.750 1.00 4.40 H new ATOM 0 HG11 VAL A 82 7.331 -2.271 -5.067 1.00 53.01 H new ATOM 0 HG12 VAL A 82 6.374 -0.959 -5.796 1.00 53.01 H new ATOM 0 HG13 VAL A 82 5.992 -1.534 -4.156 1.00 53.01 H new ATOM 0 HG21 VAL A 82 6.453 -4.438 -4.724 1.00 32.24 H new ATOM 0 HG22 VAL A 82 5.091 -3.772 -3.792 1.00 32.24 H new ATOM 0 HG23 VAL A 82 4.781 -4.868 -5.160 1.00 32.24 H new ATOM 1287 N GLU A 83 4.011 0.107 -6.297 1.00 43.45 N ATOM 1288 CA GLU A 83 4.509 1.271 -7.008 1.00 41.02 C ATOM 1289 C GLU A 83 5.394 2.089 -6.083 1.00 22.12 C ATOM 1290 O GLU A 83 5.296 2.000 -4.858 1.00 45.25 O ATOM 1291 CB GLU A 83 3.348 2.155 -7.482 1.00 31.13 C ATOM 1292 CG GLU A 83 2.850 1.850 -8.889 1.00 2.14 C ATOM 1293 CD GLU A 83 3.734 2.465 -9.974 1.00 63.44 C ATOM 1294 OE1 GLU A 83 4.956 2.177 -10.011 1.00 43.25 O ATOM 1295 OE2 GLU A 83 3.203 3.269 -10.781 1.00 72.53 O ATOM 0 H GLU A 83 3.739 0.308 -5.335 1.00 43.45 H new ATOM 0 HA GLU A 83 5.076 0.928 -7.874 1.00 41.02 H new ATOM 0 HB2 GLU A 83 2.517 2.045 -6.785 1.00 31.13 H new ATOM 0 HB3 GLU A 83 3.663 3.198 -7.441 1.00 31.13 H new ATOM 0 HG2 GLU A 83 2.808 0.770 -9.029 1.00 2.14 H new ATOM 0 HG3 GLU A 83 1.833 2.225 -8.999 1.00 2.14 H new ATOM 1302 N PHE A 84 6.208 2.946 -6.690 1.00 31.52 N ATOM 1303 CA PHE A 84 7.241 3.735 -6.030 1.00 21.52 C ATOM 1304 C PHE A 84 7.173 5.166 -6.547 1.00 41.35 C ATOM 1305 O PHE A 84 7.701 5.477 -7.615 1.00 34.23 O ATOM 1306 CB PHE A 84 8.616 3.097 -6.295 1.00 5.41 C ATOM 1307 CG PHE A 84 9.802 3.668 -5.525 1.00 53.22 C ATOM 1308 CD1 PHE A 84 9.712 3.972 -4.149 1.00 4.43 C ATOM 1309 CD2 PHE A 84 11.047 3.789 -6.173 1.00 3.12 C ATOM 1310 CE1 PHE A 84 10.857 4.365 -3.430 1.00 23.13 C ATOM 1311 CE2 PHE A 84 12.191 4.179 -5.456 1.00 3.20 C ATOM 1312 CZ PHE A 84 12.099 4.455 -4.081 1.00 42.44 C ATOM 0 H PHE A 84 6.164 3.116 -7.695 1.00 31.52 H new ATOM 0 HA PHE A 84 7.084 3.753 -4.952 1.00 21.52 H new ATOM 0 HB2 PHE A 84 8.545 2.033 -6.069 1.00 5.41 H new ATOM 0 HB3 PHE A 84 8.830 3.183 -7.360 1.00 5.41 H new ATOM 0 HD1 PHE A 84 8.759 3.903 -3.645 1.00 4.43 H new ATOM 0 HD2 PHE A 84 11.123 3.580 -7.230 1.00 3.12 H new ATOM 0 HE1 PHE A 84 10.781 4.597 -2.378 1.00 23.13 H new ATOM 0 HE2 PHE A 84 13.141 4.267 -5.962 1.00 3.20 H new ATOM 0 HZ PHE A 84 12.982 4.736 -3.526 1.00 42.44 H new ATOM 1322 N ALA A 85 6.478 6.052 -5.835 1.00 31.30 N ATOM 1323 CA ALA A 85 6.523 7.482 -6.092 1.00 13.11 C ATOM 1324 C ALA A 85 7.689 8.061 -5.281 1.00 41.23 C ATOM 1325 O ALA A 85 7.539 8.480 -4.136 1.00 22.41 O ATOM 1326 CB ALA A 85 5.165 8.114 -5.780 1.00 34.42 C ATOM 0 H ALA A 85 5.866 5.792 -5.061 1.00 31.30 H new ATOM 0 HA ALA A 85 6.706 7.705 -7.143 1.00 13.11 H new ATOM 0 HB1 ALA A 85 5.209 9.185 -5.976 1.00 34.42 H new ATOM 0 HB2 ALA A 85 4.400 7.661 -6.410 1.00 34.42 H new ATOM 0 HB3 ALA A 85 4.918 7.946 -4.732 1.00 34.42 H new ATOM 1332 N LYS A 86 8.882 7.995 -5.864 1.00 3.31 N ATOM 1333 CA LYS A 86 10.139 8.581 -5.416 1.00 74.33 C ATOM 1334 C LYS A 86 10.378 9.850 -6.231 1.00 22.12 C ATOM 1335 O LYS A 86 11.277 9.900 -7.070 1.00 64.12 O ATOM 1336 CB LYS A 86 11.242 7.523 -5.598 1.00 71.13 C ATOM 1337 CG LYS A 86 12.653 7.903 -5.113 1.00 71.25 C ATOM 1338 CD LYS A 86 12.726 8.074 -3.599 1.00 12.33 C ATOM 1339 CE LYS A 86 14.180 8.148 -3.122 1.00 24.40 C ATOM 1340 NZ LYS A 86 14.258 8.176 -1.650 1.00 23.42 N ATOM 0 H LYS A 86 9.003 7.485 -6.739 1.00 3.31 H new ATOM 0 HA LYS A 86 10.127 8.864 -4.364 1.00 74.33 H new ATOM 0 HB2 LYS A 86 10.935 6.618 -5.074 1.00 71.13 H new ATOM 0 HB3 LYS A 86 11.302 7.273 -6.657 1.00 71.13 H new ATOM 0 HG2 LYS A 86 13.359 7.133 -5.422 1.00 71.25 H new ATOM 0 HG3 LYS A 86 12.961 8.831 -5.595 1.00 71.25 H new ATOM 0 HD2 LYS A 86 12.197 8.981 -3.306 1.00 12.33 H new ATOM 0 HD3 LYS A 86 12.222 7.240 -3.111 1.00 12.33 H new ATOM 0 HE2 LYS A 86 14.734 7.290 -3.502 1.00 24.40 H new ATOM 0 HE3 LYS A 86 14.655 9.040 -3.531 1.00 24.40 H new ATOM 0 HZ1 LYS A 86 15.242 8.345 -1.358 1.00 23.42 H new ATOM 0 HZ2 LYS A 86 13.652 8.938 -1.285 1.00 23.42 H new ATOM 0 HZ3 LYS A 86 13.935 7.264 -1.268 1.00 23.42 H new