USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1084 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 106 THR OG1 : rot -9:sc= 0.852 USER MOD Set 1.2: A 111 TYR OH : rot -167:sc= 0.684 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc=-5.58e-05 (180deg=-0.139) USER MOD Single : A 15 THR OG1 : rot -7:sc= 0.592 USER MOD Single : A 16 SER OG : rot -63:sc= 0.428 USER MOD Single : A 17 SER OG : rot 15:sc= 0.101 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.954 K(o=0.95,f=-7.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 79:sc= 1.11 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 141:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 63:sc= -0.234 USER MOD Single : A 44 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.89!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc=-0.00652 (180deg=-0.15) USER MOD Single : A 60 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 0.15 (180deg=0.0985) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 40:sc= 0.0418 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.078) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.1) USER MOD Single : A 85 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 0.771 (180deg=0.739) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 1.32 (180deg=1.27) USER MOD Single : A 113 THR OG1 : rot -162:sc= 1.33 USER MOD Single : A 115 CYS SG : rot -115:sc= 0.0999 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0422 K(o=-0.042,f=-4.7!) USER MOD Single : A 120 TYR OH : rot -169:sc= 0.808 USER MOD Single : A 121 ASN : amide:sc= 1.85 K(o=1.8,f=-4.6!) USER MOD Single : A 127 ASN : amide:sc= -0.608 X(o=-0.61,f=-0.88) USER MOD Single : A 132 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 134 GLN : amide:sc= -0.0345 X(o=-0.034,f=0) USER MOD Single : A 137 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 140 ASN : amide:sc= -0.442! C(o=-0.44!,f=-6.9!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HE2:sc= 0.283 K(o=0.28,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.363 5.165 -5.541 1.00 64.32 N ATOM 34 CA GLU A 4 20.935 4.941 -5.429 1.00 4.42 C ATOM 35 C GLU A 4 20.647 4.415 -4.033 1.00 41.13 C ATOM 36 O GLU A 4 21.495 3.787 -3.389 1.00 71.21 O ATOM 37 CB GLU A 4 20.384 4.018 -6.515 1.00 4.52 C ATOM 38 CG GLU A 4 20.777 4.449 -7.933 1.00 64.02 C ATOM 39 CD GLU A 4 21.458 3.332 -8.733 1.00 31.14 C ATOM 40 OE1 GLU A 4 22.371 2.677 -8.188 1.00 40.50 O ATOM 41 OE2 GLU A 4 21.116 3.169 -9.930 1.00 53.34 O ATOM 0 HA GLU A 4 20.418 5.888 -5.585 1.00 4.42 H new ATOM 0 HB2 GLU A 4 20.744 3.004 -6.338 1.00 4.52 H new ATOM 0 HB3 GLU A 4 19.297 3.988 -6.440 1.00 4.52 H new ATOM 0 HG2 GLU A 4 19.885 4.779 -8.467 1.00 64.02 H new ATOM 0 HG3 GLU A 4 21.448 5.306 -7.873 1.00 64.02 H new ATOM 48 N GLU A 5 19.441 4.695 -3.564 1.00 42.22 N ATOM 49 CA GLU A 5 18.995 4.260 -2.261 1.00 13.21 C ATOM 50 C GLU A 5 18.623 2.774 -2.355 1.00 2.34 C ATOM 51 O GLU A 5 18.199 2.318 -3.420 1.00 55.23 O ATOM 52 CB GLU A 5 17.827 5.169 -1.878 1.00 11.21 C ATOM 53 CG GLU A 5 17.455 5.027 -0.406 1.00 55.14 C ATOM 54 CD GLU A 5 18.505 5.689 0.498 1.00 43.11 C ATOM 55 OE1 GLU A 5 18.805 6.899 0.317 1.00 21.44 O ATOM 56 OE2 GLU A 5 18.968 5.059 1.472 1.00 64.22 O ATOM 0 H GLU A 5 18.746 5.232 -4.082 1.00 42.22 H new ATOM 0 HA GLU A 5 19.755 4.339 -1.484 1.00 13.21 H new ATOM 0 HB2 GLU A 5 18.090 6.206 -2.088 1.00 11.21 H new ATOM 0 HB3 GLU A 5 16.962 4.928 -2.496 1.00 11.21 H new ATOM 0 HG2 GLU A 5 16.480 5.482 -0.229 1.00 55.14 H new ATOM 0 HG3 GLU A 5 17.365 3.971 -0.151 1.00 55.14 H new ATOM 63 N ASP A 6 18.789 1.997 -1.282 1.00 75.41 N ATOM 64 CA ASP A 6 18.699 0.540 -1.359 1.00 2.42 C ATOM 65 C ASP A 6 17.328 0.022 -0.946 1.00 53.50 C ATOM 66 O ASP A 6 16.771 0.471 0.055 1.00 2.11 O ATOM 67 CB ASP A 6 19.744 -0.132 -0.472 1.00 51.53 C ATOM 68 CG ASP A 6 19.713 -1.629 -0.756 1.00 32.43 C ATOM 69 OD1 ASP A 6 20.032 -2.006 -1.914 1.00 34.34 O ATOM 70 OD2 ASP A 6 19.302 -2.385 0.156 1.00 1.14 O ATOM 0 H ASP A 6 18.987 2.355 -0.348 1.00 75.41 H new ATOM 0 HA ASP A 6 18.877 0.290 -2.405 1.00 2.42 H new ATOM 0 HB2 ASP A 6 20.735 0.274 -0.676 1.00 51.53 H new ATOM 0 HB3 ASP A 6 19.531 0.061 0.580 1.00 51.53 H new ATOM 75 N PHE A 7 16.820 -0.961 -1.687 1.00 4.55 N ATOM 76 CA PHE A 7 15.532 -1.621 -1.523 1.00 35.32 C ATOM 77 C PHE A 7 15.218 -2.083 -0.094 1.00 23.01 C ATOM 78 O PHE A 7 14.059 -2.048 0.311 1.00 53.12 O ATOM 79 CB PHE A 7 15.427 -2.806 -2.493 1.00 71.42 C ATOM 80 CG PHE A 7 16.204 -4.055 -2.104 1.00 32.13 C ATOM 81 CD1 PHE A 7 17.574 -4.167 -2.390 1.00 44.43 C ATOM 82 CD2 PHE A 7 15.557 -5.118 -1.446 1.00 52.51 C ATOM 83 CE1 PHE A 7 18.294 -5.312 -2.019 1.00 54.32 C ATOM 84 CE2 PHE A 7 16.269 -6.276 -1.088 1.00 55.42 C ATOM 85 CZ PHE A 7 17.638 -6.372 -1.379 1.00 73.20 C ATOM 0 H PHE A 7 17.340 -1.344 -2.477 1.00 4.55 H new ATOM 0 HA PHE A 7 14.784 -0.862 -1.752 1.00 35.32 H new ATOM 0 HB2 PHE A 7 14.375 -3.074 -2.597 1.00 71.42 H new ATOM 0 HB3 PHE A 7 15.771 -2.479 -3.474 1.00 71.42 H new ATOM 0 HD1 PHE A 7 18.080 -3.362 -2.902 1.00 44.43 H new ATOM 0 HD2 PHE A 7 14.505 -5.043 -1.214 1.00 52.51 H new ATOM 0 HE1 PHE A 7 19.352 -5.377 -2.226 1.00 54.32 H new ATOM 0 HE2 PHE A 7 15.763 -7.090 -0.590 1.00 55.42 H new ATOM 0 HZ PHE A 7 18.186 -7.263 -1.110 1.00 73.20 H new ATOM 95 N LYS A 8 16.214 -2.491 0.695 1.00 11.55 N ATOM 96 CA LYS A 8 15.992 -2.872 2.089 1.00 42.31 C ATOM 97 C LYS A 8 16.025 -1.639 2.974 1.00 34.02 C ATOM 98 O LYS A 8 15.105 -1.400 3.753 1.00 1.25 O ATOM 99 CB LYS A 8 17.065 -3.891 2.468 1.00 35.03 C ATOM 100 CG LYS A 8 17.183 -4.172 3.972 1.00 41.54 C ATOM 101 CD LYS A 8 18.099 -5.386 4.109 1.00 44.14 C ATOM 102 CE LYS A 8 18.602 -5.615 5.523 1.00 64.42 C ATOM 103 NZ LYS A 8 19.414 -6.845 5.570 1.00 62.33 N ATOM 0 H LYS A 8 17.184 -2.566 0.390 1.00 11.55 H new ATOM 0 HA LYS A 8 15.011 -3.326 2.226 1.00 42.31 H new ATOM 0 HB2 LYS A 8 16.854 -4.828 1.953 1.00 35.03 H new ATOM 0 HB3 LYS A 8 18.029 -3.536 2.102 1.00 35.03 H new ATOM 0 HG2 LYS A 8 17.597 -3.311 4.497 1.00 41.54 H new ATOM 0 HG3 LYS A 8 16.204 -4.372 4.408 1.00 41.54 H new ATOM 0 HD2 LYS A 8 17.562 -6.274 3.775 1.00 44.14 H new ATOM 0 HD3 LYS A 8 18.954 -5.262 3.444 1.00 44.14 H new ATOM 0 HE2 LYS A 8 19.197 -4.762 5.850 1.00 64.42 H new ATOM 0 HE3 LYS A 8 17.760 -5.698 6.210 1.00 64.42 H new ATOM 0 HZ1 LYS A 8 19.756 -6.998 6.540 1.00 62.33 H new ATOM 0 HZ2 LYS A 8 18.833 -7.656 5.276 1.00 62.33 H new ATOM 0 HZ3 LYS A 8 20.226 -6.750 4.927 1.00 62.33 H new ATOM 117 N THR A 9 17.087 -0.850 2.886 1.00 12.34 N ATOM 118 CA THR A 9 17.277 0.292 3.764 1.00 24.23 C ATOM 119 C THR A 9 16.156 1.321 3.605 1.00 20.03 C ATOM 120 O THR A 9 15.711 1.893 4.604 1.00 23.25 O ATOM 121 CB THR A 9 18.661 0.869 3.466 1.00 21.01 C ATOM 122 OG1 THR A 9 19.631 -0.111 3.786 1.00 15.31 O ATOM 123 CG2 THR A 9 18.969 2.156 4.232 1.00 23.25 C ATOM 0 H THR A 9 17.836 -0.984 2.207 1.00 12.34 H new ATOM 0 HA THR A 9 17.229 -0.014 4.809 1.00 24.23 H new ATOM 0 HB THR A 9 18.682 1.131 2.408 1.00 21.01 H new ATOM 0 HG1 THR A 9 20.526 0.242 3.599 1.00 15.31 H new ATOM 0 HG21 THR A 9 19.967 2.506 3.969 1.00 23.25 H new ATOM 0 HG22 THR A 9 18.236 2.919 3.970 1.00 23.25 H new ATOM 0 HG23 THR A 9 18.923 1.962 5.304 1.00 23.25 H new ATOM 131 N PHE A 10 15.668 1.562 2.384 1.00 75.21 N ATOM 132 CA PHE A 10 14.624 2.556 2.196 1.00 41.31 C ATOM 133 C PHE A 10 13.341 1.997 2.840 1.00 14.33 C ATOM 134 O PHE A 10 12.613 2.763 3.465 1.00 75.00 O ATOM 135 CB PHE A 10 14.438 2.940 0.709 1.00 33.02 C ATOM 136 CG PHE A 10 13.322 2.249 -0.035 1.00 42.52 C ATOM 137 CD1 PHE A 10 13.447 0.899 -0.367 1.00 74.22 C ATOM 138 CD2 PHE A 10 12.156 2.952 -0.393 1.00 54.30 C ATOM 139 CE1 PHE A 10 12.419 0.232 -1.046 1.00 71.02 C ATOM 140 CE2 PHE A 10 11.129 2.291 -1.086 1.00 61.13 C ATOM 141 CZ PHE A 10 11.260 0.931 -1.401 1.00 42.31 C ATOM 0 H PHE A 10 15.975 1.091 1.533 1.00 75.21 H new ATOM 0 HA PHE A 10 14.899 3.492 2.681 1.00 41.31 H new ATOM 0 HB2 PHE A 10 14.269 4.015 0.654 1.00 33.02 H new ATOM 0 HB3 PHE A 10 15.372 2.737 0.186 1.00 33.02 H new ATOM 0 HD1 PHE A 10 14.345 0.363 -0.098 1.00 74.22 H new ATOM 0 HD2 PHE A 10 12.052 3.996 -0.136 1.00 54.30 H new ATOM 0 HE1 PHE A 10 12.520 -0.814 -1.294 1.00 71.02 H new ATOM 0 HE2 PHE A 10 10.239 2.830 -1.376 1.00 61.13 H new ATOM 0 HZ PHE A 10 10.462 0.420 -1.920 1.00 42.31 H new ATOM 151 N LEU A 11 13.107 0.676 2.758 1.00 13.12 N ATOM 152 CA LEU A 11 11.964 -0.019 3.349 1.00 41.41 C ATOM 153 C LEU A 11 11.982 0.065 4.873 1.00 41.21 C ATOM 154 O LEU A 11 10.949 0.364 5.472 1.00 35.41 O ATOM 155 CB LEU A 11 11.929 -1.500 2.912 1.00 20.43 C ATOM 156 CG LEU A 11 10.842 -1.856 1.881 1.00 62.14 C ATOM 157 CD1 LEU A 11 10.849 -3.371 1.649 1.00 73.20 C ATOM 158 CD2 LEU A 11 9.436 -1.428 2.320 1.00 74.02 C ATOM 0 H LEU A 11 13.735 0.045 2.259 1.00 13.12 H new ATOM 0 HA LEU A 11 11.066 0.481 2.986 1.00 41.41 H new ATOM 0 HB2 LEU A 11 12.902 -1.762 2.495 1.00 20.43 H new ATOM 0 HB3 LEU A 11 11.784 -2.120 3.797 1.00 20.43 H new ATOM 0 HG LEU A 11 11.077 -1.312 0.966 1.00 62.14 H new ATOM 0 HD11 LEU A 11 10.082 -3.631 0.920 1.00 73.20 H new ATOM 0 HD12 LEU A 11 11.825 -3.677 1.273 1.00 73.20 H new ATOM 0 HD13 LEU A 11 10.645 -3.884 2.589 1.00 73.20 H new ATOM 0 HD21 LEU A 11 8.715 -1.706 1.552 1.00 74.02 H new ATOM 0 HD22 LEU A 11 9.180 -1.925 3.256 1.00 74.02 H new ATOM 0 HD23 LEU A 11 9.413 -0.348 2.465 1.00 74.02 H new ATOM 170 N GLN A 12 13.146 -0.142 5.503 1.00 61.12 N ATOM 171 CA GLN A 12 13.300 0.026 6.947 1.00 53.14 C ATOM 172 C GLN A 12 12.714 1.382 7.353 1.00 11.25 C ATOM 173 O GLN A 12 11.767 1.440 8.140 1.00 51.52 O ATOM 174 CB GLN A 12 14.770 -0.135 7.398 1.00 41.14 C ATOM 175 CG GLN A 12 15.276 -1.589 7.312 1.00 34.41 C ATOM 176 CD GLN A 12 16.610 -1.874 8.016 1.00 42.52 C ATOM 177 OE1 GLN A 12 17.024 -3.028 8.141 1.00 12.11 O ATOM 178 NE2 GLN A 12 17.374 -0.878 8.454 1.00 42.20 N ATOM 0 H GLN A 12 14.001 -0.429 5.026 1.00 61.12 H new ATOM 0 HA GLN A 12 12.751 -0.764 7.458 1.00 53.14 H new ATOM 0 HB2 GLN A 12 15.404 0.501 6.780 1.00 41.14 H new ATOM 0 HB3 GLN A 12 14.869 0.217 8.425 1.00 41.14 H new ATOM 0 HG2 GLN A 12 14.515 -2.244 7.736 1.00 34.41 H new ATOM 0 HG3 GLN A 12 15.377 -1.857 6.260 1.00 34.41 H new ATOM 0 HE21 GLN A 12 17.056 0.087 8.363 1.00 42.20 H new ATOM 0 HE22 GLN A 12 18.278 -1.079 8.881 1.00 42.20 H new ATOM 187 N LYS A 13 13.206 2.460 6.740 1.00 51.33 N ATOM 188 CA LYS A 13 12.775 3.830 7.017 1.00 40.14 C ATOM 189 C LYS A 13 11.321 4.066 6.640 1.00 20.24 C ATOM 190 O LYS A 13 10.628 4.802 7.335 1.00 15.54 O ATOM 191 CB LYS A 13 13.649 4.793 6.217 1.00 23.13 C ATOM 192 CG LYS A 13 15.092 4.766 6.717 1.00 42.32 C ATOM 193 CD LYS A 13 15.984 5.475 5.701 1.00 12.23 C ATOM 194 CE LYS A 13 17.362 5.716 6.306 1.00 62.33 C ATOM 195 NZ LYS A 13 17.327 6.817 7.283 1.00 24.42 N ATOM 0 H LYS A 13 13.929 2.403 6.023 1.00 51.33 H new ATOM 0 HA LYS A 13 12.874 3.998 8.089 1.00 40.14 H new ATOM 0 HB2 LYS A 13 13.621 4.524 5.161 1.00 23.13 H new ATOM 0 HB3 LYS A 13 13.251 5.804 6.299 1.00 23.13 H new ATOM 0 HG2 LYS A 13 15.163 5.257 7.688 1.00 42.32 H new ATOM 0 HG3 LYS A 13 15.423 3.737 6.855 1.00 42.32 H new ATOM 0 HD2 LYS A 13 16.073 4.872 4.798 1.00 12.23 H new ATOM 0 HD3 LYS A 13 15.534 6.424 5.407 1.00 12.23 H new ATOM 0 HE2 LYS A 13 17.714 4.806 6.792 1.00 62.33 H new ATOM 0 HE3 LYS A 13 18.074 5.950 5.515 1.00 62.33 H new ATOM 0 HZ1 LYS A 13 18.297 7.130 7.489 1.00 24.42 H new ATOM 0 HZ2 LYS A 13 16.783 7.612 6.891 1.00 24.42 H new ATOM 0 HZ3 LYS A 13 16.876 6.488 8.160 1.00 24.42 H new ATOM 209 N PHE A 14 10.857 3.452 5.551 1.00 42.54 N ATOM 210 CA PHE A 14 9.479 3.540 5.099 1.00 75.41 C ATOM 211 C PHE A 14 8.537 3.181 6.243 1.00 4.33 C ATOM 212 O PHE A 14 7.542 3.871 6.442 1.00 20.03 O ATOM 213 CB PHE A 14 9.267 2.661 3.857 1.00 20.34 C ATOM 214 CG PHE A 14 7.999 2.926 3.068 1.00 1.12 C ATOM 215 CD1 PHE A 14 7.845 4.130 2.354 1.00 40.10 C ATOM 216 CD2 PHE A 14 6.995 1.943 2.994 1.00 60.41 C ATOM 217 CE1 PHE A 14 6.700 4.344 1.564 1.00 51.31 C ATOM 218 CE2 PHE A 14 5.852 2.156 2.206 1.00 74.24 C ATOM 219 CZ PHE A 14 5.702 3.356 1.490 1.00 40.14 C ATOM 0 H PHE A 14 11.443 2.871 4.952 1.00 42.54 H new ATOM 0 HA PHE A 14 9.252 4.564 4.801 1.00 75.41 H new ATOM 0 HB2 PHE A 14 10.120 2.793 3.192 1.00 20.34 H new ATOM 0 HB3 PHE A 14 9.266 1.617 4.170 1.00 20.34 H new ATOM 0 HD1 PHE A 14 8.608 4.892 2.413 1.00 40.10 H new ATOM 0 HD2 PHE A 14 7.104 1.021 3.545 1.00 60.41 H new ATOM 0 HE1 PHE A 14 6.588 5.267 1.015 1.00 51.31 H new ATOM 0 HE2 PHE A 14 5.087 1.396 2.150 1.00 74.24 H new ATOM 0 HZ PHE A 14 4.823 3.519 0.885 1.00 40.14 H new ATOM 229 N THR A 15 8.873 2.141 7.005 1.00 34.01 N ATOM 230 CA THR A 15 7.997 1.576 8.022 1.00 72.21 C ATOM 231 C THR A 15 8.164 2.240 9.399 1.00 15.51 C ATOM 232 O THR A 15 7.202 2.292 10.170 1.00 61.03 O ATOM 233 CB THR A 15 8.199 0.051 8.033 1.00 35.45 C ATOM 234 OG1 THR A 15 9.528 -0.350 8.315 1.00 41.31 O ATOM 235 CG2 THR A 15 7.806 -0.539 6.672 1.00 14.42 C ATOM 0 H THR A 15 9.772 1.664 6.930 1.00 34.01 H new ATOM 0 HA THR A 15 6.958 1.788 7.770 1.00 72.21 H new ATOM 0 HB THR A 15 7.563 -0.323 8.835 1.00 35.45 H new ATOM 0 HG1 THR A 15 10.108 0.440 8.350 1.00 41.31 H new ATOM 0 HG21 THR A 15 7.952 -1.619 6.688 1.00 14.42 H new ATOM 0 HG22 THR A 15 6.758 -0.317 6.468 1.00 14.42 H new ATOM 0 HG23 THR A 15 8.428 -0.100 5.892 1.00 14.42 H new ATOM 243 N SER A 16 9.334 2.811 9.709 1.00 32.43 N ATOM 244 CA SER A 16 9.596 3.431 11.005 1.00 1.15 C ATOM 245 C SER A 16 9.579 4.960 10.971 1.00 61.03 C ATOM 246 O SER A 16 9.896 5.569 11.985 1.00 22.12 O ATOM 247 CB SER A 16 10.878 2.844 11.613 1.00 55.42 C ATOM 248 OG SER A 16 12.003 2.922 10.752 1.00 12.24 O ATOM 0 H SER A 16 10.124 2.854 9.065 1.00 32.43 H new ATOM 0 HA SER A 16 8.766 3.183 11.667 1.00 1.15 H new ATOM 0 HB2 SER A 16 11.104 3.370 12.541 1.00 55.42 H new ATOM 0 HB3 SER A 16 10.702 1.800 11.873 1.00 55.42 H new ATOM 0 HG SER A 16 11.839 2.383 9.950 1.00 12.24 H new ATOM 254 N SER A 17 9.197 5.604 9.864 1.00 54.14 N ATOM 255 CA SER A 17 9.073 7.055 9.809 1.00 3.21 C ATOM 256 C SER A 17 7.909 7.460 8.907 1.00 11.25 C ATOM 257 O SER A 17 8.023 7.384 7.682 1.00 32.04 O ATOM 258 CB SER A 17 10.384 7.665 9.299 1.00 4.32 C ATOM 259 OG SER A 17 11.400 7.723 10.294 1.00 34.14 O ATOM 0 H SER A 17 8.967 5.134 8.989 1.00 54.14 H new ATOM 0 HA SER A 17 8.871 7.432 10.812 1.00 3.21 H new ATOM 0 HB2 SER A 17 10.745 7.079 8.454 1.00 4.32 H new ATOM 0 HB3 SER A 17 10.189 8.672 8.929 1.00 4.32 H new ATOM 0 HG SER A 17 11.152 7.149 11.048 1.00 34.14 H new ATOM 265 N ALA A 18 6.811 7.941 9.497 1.00 54.21 N ATOM 266 CA ALA A 18 5.637 8.411 8.769 1.00 51.20 C ATOM 267 C ALA A 18 6.009 9.515 7.771 1.00 23.03 C ATOM 268 O ALA A 18 5.596 9.462 6.613 1.00 31.41 O ATOM 269 CB ALA A 18 4.569 8.893 9.757 1.00 1.21 C ATOM 0 H ALA A 18 6.715 8.014 10.510 1.00 54.21 H new ATOM 0 HA ALA A 18 5.228 7.580 8.194 1.00 51.20 H new ATOM 0 HB1 ALA A 18 3.695 9.242 9.207 1.00 1.21 H new ATOM 0 HB2 ALA A 18 4.281 8.070 10.411 1.00 1.21 H new ATOM 0 HB3 ALA A 18 4.970 9.710 10.357 1.00 1.21 H new ATOM 275 N SER A 19 6.829 10.494 8.168 1.00 44.24 N ATOM 276 CA SER A 19 7.239 11.565 7.259 1.00 22.14 C ATOM 277 C SER A 19 8.012 11.027 6.053 1.00 44.44 C ATOM 278 O SER A 19 7.849 11.532 4.939 1.00 3.43 O ATOM 279 CB SER A 19 8.123 12.570 7.998 1.00 42.11 C ATOM 280 OG SER A 19 7.551 12.953 9.231 1.00 1.12 O ATOM 0 H SER A 19 7.219 10.565 9.108 1.00 44.24 H new ATOM 0 HA SER A 19 6.330 12.047 6.901 1.00 22.14 H new ATOM 0 HB2 SER A 19 9.106 12.133 8.172 1.00 42.11 H new ATOM 0 HB3 SER A 19 8.272 13.452 7.375 1.00 42.11 H new ATOM 0 HG SER A 19 8.141 13.594 9.680 1.00 1.12 H new ATOM 286 N PHE A 20 8.854 10.007 6.256 1.00 40.15 N ATOM 287 CA PHE A 20 9.595 9.371 5.176 1.00 73.34 C ATOM 288 C PHE A 20 8.621 8.622 4.261 1.00 74.12 C ATOM 289 O PHE A 20 8.729 8.770 3.042 1.00 14.51 O ATOM 290 CB PHE A 20 10.693 8.462 5.744 1.00 54.23 C ATOM 291 CG PHE A 20 11.554 7.779 4.698 1.00 63.00 C ATOM 292 CD1 PHE A 20 11.060 6.638 4.050 1.00 63.12 C ATOM 293 CD2 PHE A 20 12.850 8.236 4.394 1.00 32.34 C ATOM 294 CE1 PHE A 20 11.850 5.920 3.143 1.00 72.14 C ATOM 295 CE2 PHE A 20 13.642 7.534 3.467 1.00 22.22 C ATOM 296 CZ PHE A 20 13.150 6.368 2.853 1.00 62.41 C ATOM 0 H PHE A 20 9.036 9.604 7.175 1.00 40.15 H new ATOM 0 HA PHE A 20 10.098 10.127 4.573 1.00 73.34 H new ATOM 0 HB2 PHE A 20 11.336 9.055 6.394 1.00 54.23 H new ATOM 0 HB3 PHE A 20 10.227 7.698 6.367 1.00 54.23 H new ATOM 0 HD1 PHE A 20 10.052 6.307 4.254 1.00 63.12 H new ATOM 0 HD2 PHE A 20 13.236 9.124 4.872 1.00 32.34 H new ATOM 0 HE1 PHE A 20 11.463 5.029 2.670 1.00 72.14 H new ATOM 0 HE2 PHE A 20 14.632 7.892 3.226 1.00 22.22 H new ATOM 0 HZ PHE A 20 13.770 5.818 2.160 1.00 62.41 H new ATOM 306 N GLN A 21 7.658 7.876 4.833 1.00 51.54 N ATOM 307 CA GLN A 21 6.562 7.230 4.110 1.00 34.24 C ATOM 308 C GLN A 21 5.953 8.241 3.122 1.00 14.42 C ATOM 309 O GLN A 21 6.069 8.074 1.905 1.00 2.34 O ATOM 310 CB GLN A 21 5.533 6.599 5.066 1.00 55.32 C ATOM 311 CG GLN A 21 4.652 5.607 4.284 1.00 61.03 C ATOM 312 CD GLN A 21 4.045 4.485 5.107 1.00 54.31 C ATOM 313 OE1 GLN A 21 2.853 4.216 5.005 1.00 0.24 O ATOM 314 NE2 GLN A 21 4.852 3.782 5.872 1.00 23.34 N ATOM 0 H GLN A 21 7.626 7.705 5.838 1.00 51.54 H new ATOM 0 HA GLN A 21 6.947 6.389 3.532 1.00 34.24 H new ATOM 0 HB2 GLN A 21 6.044 6.085 5.881 1.00 55.32 H new ATOM 0 HB3 GLN A 21 4.915 7.375 5.517 1.00 55.32 H new ATOM 0 HG2 GLN A 21 3.844 6.163 3.807 1.00 61.03 H new ATOM 0 HG3 GLN A 21 5.250 5.167 3.486 1.00 61.03 H new ATOM 0 HE21 GLN A 21 5.839 4.031 5.936 1.00 23.34 H new ATOM 0 HE22 GLN A 21 4.491 2.988 6.401 1.00 23.34 H new ATOM 323 N TYR A 22 5.398 9.346 3.639 1.00 35.02 N ATOM 324 CA TYR A 22 4.762 10.392 2.838 1.00 15.50 C ATOM 325 C TYR A 22 5.708 11.024 1.818 1.00 55.33 C ATOM 326 O TYR A 22 5.302 11.242 0.672 1.00 14.41 O ATOM 327 CB TYR A 22 4.155 11.477 3.745 1.00 43.42 C ATOM 328 CG TYR A 22 2.867 11.035 4.405 1.00 2.33 C ATOM 329 CD1 TYR A 22 1.747 10.758 3.602 1.00 53.33 C ATOM 330 CD2 TYR A 22 2.795 10.840 5.796 1.00 1.11 C ATOM 331 CE1 TYR A 22 0.584 10.213 4.169 1.00 31.21 C ATOM 332 CE2 TYR A 22 1.613 10.357 6.381 1.00 40.42 C ATOM 333 CZ TYR A 22 0.498 10.036 5.571 1.00 24.32 C ATOM 334 OH TYR A 22 -0.629 9.510 6.117 1.00 15.24 O ATOM 0 H TYR A 22 5.380 9.538 4.641 1.00 35.02 H new ATOM 0 HA TYR A 22 3.967 9.906 2.272 1.00 15.50 H new ATOM 0 HB2 TYR A 22 4.878 11.748 4.514 1.00 43.42 H new ATOM 0 HB3 TYR A 22 3.967 12.374 3.155 1.00 43.42 H new ATOM 0 HD1 TYR A 22 1.781 10.966 2.543 1.00 53.33 H new ATOM 0 HD2 TYR A 22 3.651 11.062 6.416 1.00 1.11 H new ATOM 0 HE1 TYR A 22 -0.244 9.929 3.536 1.00 31.21 H new ATOM 0 HE2 TYR A 22 1.555 10.230 7.452 1.00 40.42 H new ATOM 0 HH TYR A 22 -0.526 9.454 7.090 1.00 15.24 H new ATOM 344 N SER A 23 6.962 11.297 2.190 1.00 21.02 N ATOM 345 CA SER A 23 7.960 11.931 1.328 1.00 44.13 C ATOM 346 C SER A 23 8.300 11.119 0.070 1.00 22.14 C ATOM 347 O SER A 23 9.029 11.626 -0.788 1.00 64.14 O ATOM 348 CB SER A 23 9.256 12.172 2.116 1.00 51.34 C ATOM 349 OG SER A 23 9.096 13.166 3.111 1.00 31.40 O ATOM 0 H SER A 23 7.318 11.078 3.120 1.00 21.02 H new ATOM 0 HA SER A 23 7.513 12.869 0.998 1.00 44.13 H new ATOM 0 HB2 SER A 23 9.575 11.240 2.583 1.00 51.34 H new ATOM 0 HB3 SER A 23 10.047 12.471 1.429 1.00 51.34 H new ATOM 0 HG SER A 23 8.647 12.779 3.891 1.00 31.40 H new ATOM 355 N ARG A 24 7.838 9.870 -0.058 1.00 52.42 N ATOM 356 CA ARG A 24 8.311 8.937 -1.075 1.00 44.54 C ATOM 357 C ARG A 24 7.147 8.308 -1.840 1.00 64.34 C ATOM 358 O ARG A 24 7.276 7.183 -2.311 1.00 1.35 O ATOM 359 CB ARG A 24 9.217 7.887 -0.396 1.00 1.32 C ATOM 360 CG ARG A 24 10.533 8.466 0.146 1.00 22.13 C ATOM 361 CD ARG A 24 11.484 8.750 -1.021 1.00 54.33 C ATOM 362 NE ARG A 24 12.550 9.687 -0.666 1.00 20.15 N ATOM 363 CZ ARG A 24 13.809 9.374 -0.355 1.00 44.34 C ATOM 364 NH1 ARG A 24 14.157 8.110 -0.138 1.00 11.43 N ATOM 365 NH2 ARG A 24 14.712 10.339 -0.279 1.00 20.31 N ATOM 0 H ARG A 24 7.118 9.479 0.550 1.00 52.42 H new ATOM 0 HA ARG A 24 8.898 9.469 -1.824 1.00 44.54 H new ATOM 0 HB2 ARG A 24 8.669 7.423 0.424 1.00 1.32 H new ATOM 0 HB3 ARG A 24 9.445 7.098 -1.113 1.00 1.32 H new ATOM 0 HG2 ARG A 24 10.338 9.383 0.702 1.00 22.13 H new ATOM 0 HG3 ARG A 24 10.993 7.764 0.841 1.00 22.13 H new ATOM 0 HD2 ARG A 24 11.927 7.813 -1.359 1.00 54.33 H new ATOM 0 HD3 ARG A 24 10.915 9.154 -1.858 1.00 54.33 H new ATOM 0 HE ARG A 24 12.307 10.677 -0.655 1.00 20.15 H new ATOM 0 HH11 ARG A 24 13.459 7.370 -0.209 1.00 11.43 H new ATOM 0 HH12 ARG A 24 15.122 7.880 0.099 1.00 11.43 H new ATOM 0 HH21 ARG A 24 14.441 11.306 -0.457 1.00 20.31 H new ATOM 0 HH22 ARG A 24 15.679 10.115 -0.042 1.00 20.31 H new ATOM 379 N ILE A 25 5.998 8.972 -1.960 1.00 14.50 N ATOM 380 CA ILE A 25 4.804 8.448 -2.622 1.00 52.32 C ATOM 381 C ILE A 25 4.307 9.524 -3.587 1.00 32.41 C ATOM 382 O ILE A 25 4.043 10.659 -3.181 1.00 51.51 O ATOM 383 CB ILE A 25 3.740 8.048 -1.577 1.00 43.33 C ATOM 384 CG1 ILE A 25 4.252 6.934 -0.640 1.00 12.43 C ATOM 385 CG2 ILE A 25 2.436 7.596 -2.257 1.00 42.33 C ATOM 386 CD1 ILE A 25 3.432 6.841 0.642 1.00 31.41 C ATOM 0 H ILE A 25 5.869 9.914 -1.590 1.00 14.50 H new ATOM 0 HA ILE A 25 5.027 7.541 -3.184 1.00 52.32 H new ATOM 0 HB ILE A 25 3.537 8.935 -0.977 1.00 43.33 H new ATOM 0 HG12 ILE A 25 4.218 5.978 -1.162 1.00 12.43 H new ATOM 0 HG13 ILE A 25 5.296 7.123 -0.389 1.00 12.43 H new ATOM 0 HG21 ILE A 25 1.706 7.321 -1.496 1.00 42.33 H new ATOM 0 HG22 ILE A 25 2.040 8.411 -2.862 1.00 42.33 H new ATOM 0 HG23 ILE A 25 2.638 6.735 -2.895 1.00 42.33 H new ATOM 0 HD11 ILE A 25 3.829 6.044 1.271 1.00 31.41 H new ATOM 0 HD12 ILE A 25 3.488 7.788 1.179 1.00 31.41 H new ATOM 0 HD13 ILE A 25 2.393 6.625 0.394 1.00 31.41 H new ATOM 398 N LYS A 26 4.223 9.167 -4.867 1.00 60.34 N ATOM 399 CA LYS A 26 3.730 10.024 -5.941 1.00 13.51 C ATOM 400 C LYS A 26 2.222 10.204 -5.815 1.00 60.34 C ATOM 401 O LYS A 26 1.555 9.376 -5.197 1.00 31.23 O ATOM 402 CB LYS A 26 4.113 9.404 -7.281 1.00 71.24 C ATOM 403 CG LYS A 26 5.651 9.362 -7.364 1.00 74.45 C ATOM 404 CD LYS A 26 6.158 9.821 -8.721 1.00 71.15 C ATOM 405 CE LYS A 26 7.569 10.393 -8.594 1.00 53.24 C ATOM 406 NZ LYS A 26 8.179 10.760 -9.892 1.00 3.33 N ATOM 0 H LYS A 26 4.506 8.243 -5.195 1.00 60.34 H new ATOM 0 HA LYS A 26 4.183 11.013 -5.873 1.00 13.51 H new ATOM 0 HB2 LYS A 26 3.699 8.399 -7.368 1.00 71.24 H new ATOM 0 HB3 LYS A 26 3.703 9.990 -8.103 1.00 71.24 H new ATOM 0 HG2 LYS A 26 6.074 9.996 -6.585 1.00 74.45 H new ATOM 0 HG3 LYS A 26 5.997 8.347 -7.172 1.00 74.45 H new ATOM 0 HD2 LYS A 26 6.159 8.984 -9.419 1.00 71.15 H new ATOM 0 HD3 LYS A 26 5.488 10.576 -9.131 1.00 71.15 H new ATOM 0 HE2 LYS A 26 7.538 11.275 -7.954 1.00 53.24 H new ATOM 0 HE3 LYS A 26 8.205 9.661 -8.097 1.00 53.24 H new ATOM 0 HZ1 LYS A 26 9.134 11.140 -9.732 1.00 3.33 H new ATOM 0 HZ2 LYS A 26 8.239 9.917 -10.498 1.00 3.33 H new ATOM 0 HZ3 LYS A 26 7.593 11.481 -10.359 1.00 3.33 H new ATOM 420 N PHE A 27 1.662 11.254 -6.416 1.00 53.51 N ATOM 421 CA PHE A 27 0.212 11.465 -6.367 1.00 34.24 C ATOM 422 C PHE A 27 -0.371 12.167 -7.609 1.00 53.34 C ATOM 423 O PHE A 27 0.324 12.970 -8.238 1.00 24.41 O ATOM 424 CB PHE A 27 -0.152 12.209 -5.071 1.00 32.02 C ATOM 425 CG PHE A 27 0.701 13.414 -4.701 1.00 35.42 C ATOM 426 CD1 PHE A 27 0.554 14.637 -5.380 1.00 2.20 C ATOM 427 CD2 PHE A 27 1.641 13.312 -3.655 1.00 62.21 C ATOM 428 CE1 PHE A 27 1.355 15.737 -5.029 1.00 11.40 C ATOM 429 CE2 PHE A 27 2.426 14.419 -3.290 1.00 4.13 C ATOM 430 CZ PHE A 27 2.284 15.633 -3.981 1.00 3.51 C ATOM 0 H PHE A 27 2.180 11.963 -6.936 1.00 53.51 H new ATOM 0 HA PHE A 27 -0.252 10.479 -6.371 1.00 34.24 H new ATOM 0 HB2 PHE A 27 -1.188 12.539 -5.150 1.00 32.02 H new ATOM 0 HB3 PHE A 27 -0.106 11.496 -4.247 1.00 32.02 H new ATOM 0 HD1 PHE A 27 -0.175 14.731 -6.171 1.00 2.20 H new ATOM 0 HD2 PHE A 27 1.759 12.376 -3.130 1.00 62.21 H new ATOM 0 HE1 PHE A 27 1.256 16.667 -5.568 1.00 11.40 H new ATOM 0 HE2 PHE A 27 3.136 14.336 -2.481 1.00 4.13 H new ATOM 0 HZ PHE A 27 2.888 16.485 -3.707 1.00 3.51 H new ATOM 440 N PRO A 28 -1.656 11.928 -7.958 1.00 53.12 N ATOM 441 CA PRO A 28 -2.462 10.792 -7.517 1.00 34.54 C ATOM 442 C PRO A 28 -1.858 9.489 -8.053 1.00 31.30 C ATOM 443 O PRO A 28 -1.018 9.518 -8.960 1.00 75.34 O ATOM 444 CB PRO A 28 -3.870 11.030 -8.073 1.00 62.54 C ATOM 445 CG PRO A 28 -3.591 11.794 -9.361 1.00 53.23 C ATOM 446 CD PRO A 28 -2.380 12.651 -8.994 1.00 52.22 C ATOM 0 HA PRO A 28 -2.491 10.703 -6.431 1.00 34.54 H new ATOM 0 HB2 PRO A 28 -4.395 10.094 -8.262 1.00 62.54 H new ATOM 0 HB3 PRO A 28 -4.486 11.608 -7.384 1.00 62.54 H new ATOM 0 HG2 PRO A 28 -3.373 11.121 -10.191 1.00 53.23 H new ATOM 0 HG3 PRO A 28 -4.442 12.405 -9.661 1.00 53.23 H new ATOM 0 HD2 PRO A 28 -1.746 12.818 -9.865 1.00 52.22 H new ATOM 0 HD3 PRO A 28 -2.694 13.631 -8.635 1.00 52.22 H new ATOM 454 N LEU A 29 -2.256 8.366 -7.459 1.00 60.23 N ATOM 455 CA LEU A 29 -1.641 7.069 -7.739 1.00 2.34 C ATOM 456 C LEU A 29 -2.260 6.459 -8.989 1.00 20.22 C ATOM 457 O LEU A 29 -3.401 6.780 -9.342 1.00 62.13 O ATOM 458 CB LEU A 29 -1.801 6.146 -6.521 1.00 40.34 C ATOM 459 CG LEU A 29 -0.981 6.664 -5.325 1.00 24.24 C ATOM 460 CD1 LEU A 29 -1.507 6.079 -4.015 1.00 44.13 C ATOM 461 CD2 LEU A 29 0.505 6.335 -5.476 1.00 54.44 C ATOM 0 H LEU A 29 -3.010 8.328 -6.773 1.00 60.23 H new ATOM 0 HA LEU A 29 -0.575 7.200 -7.926 1.00 2.34 H new ATOM 0 HB2 LEU A 29 -2.853 6.082 -6.245 1.00 40.34 H new ATOM 0 HB3 LEU A 29 -1.477 5.138 -6.779 1.00 40.34 H new ATOM 0 HG LEU A 29 -1.091 7.748 -5.304 1.00 24.24 H new ATOM 0 HD11 LEU A 29 -0.913 6.458 -3.183 1.00 44.13 H new ATOM 0 HD12 LEU A 29 -2.549 6.369 -3.879 1.00 44.13 H new ATOM 0 HD13 LEU A 29 -1.434 4.992 -4.047 1.00 44.13 H new ATOM 0 HD21 LEU A 29 1.052 6.716 -4.613 1.00 54.44 H new ATOM 0 HD22 LEU A 29 0.634 5.254 -5.539 1.00 54.44 H new ATOM 0 HD23 LEU A 29 0.890 6.800 -6.384 1.00 54.44 H new ATOM 473 N LYS A 30 -1.499 5.584 -9.657 1.00 71.24 N ATOM 474 CA LYS A 30 -1.913 5.047 -10.958 1.00 62.31 C ATOM 475 C LYS A 30 -3.148 4.149 -10.880 1.00 24.22 C ATOM 476 O LYS A 30 -3.890 4.093 -11.863 1.00 4.45 O ATOM 477 CB LYS A 30 -0.763 4.364 -11.709 1.00 54.23 C ATOM 478 CG LYS A 30 0.164 5.399 -12.360 1.00 2.33 C ATOM 479 CD LYS A 30 1.068 4.821 -13.456 1.00 3.04 C ATOM 480 CE LYS A 30 1.789 5.999 -14.125 1.00 35.54 C ATOM 481 NZ LYS A 30 2.707 5.600 -15.209 1.00 51.00 N ATOM 0 H LYS A 30 -0.601 5.235 -9.322 1.00 71.24 H new ATOM 0 HA LYS A 30 -2.206 5.918 -11.544 1.00 62.31 H new ATOM 0 HB2 LYS A 30 -0.192 3.743 -11.019 1.00 54.23 H new ATOM 0 HB3 LYS A 30 -1.167 3.701 -12.474 1.00 54.23 H new ATOM 0 HG2 LYS A 30 -0.442 6.198 -12.787 1.00 2.33 H new ATOM 0 HG3 LYS A 30 0.788 5.850 -11.588 1.00 2.33 H new ATOM 0 HD2 LYS A 30 1.788 4.122 -13.031 1.00 3.04 H new ATOM 0 HD3 LYS A 30 0.479 4.267 -14.187 1.00 3.04 H new ATOM 0 HE2 LYS A 30 1.045 6.687 -14.527 1.00 35.54 H new ATOM 0 HE3 LYS A 30 2.352 6.545 -13.368 1.00 35.54 H new ATOM 0 HZ1 LYS A 30 3.157 6.447 -15.612 1.00 51.00 H new ATOM 0 HZ2 LYS A 30 3.439 4.967 -14.828 1.00 51.00 H new ATOM 0 HZ3 LYS A 30 2.173 5.105 -15.951 1.00 51.00 H new ATOM 495 N SER A 31 -3.360 3.486 -9.751 1.00 51.14 N ATOM 496 CA SER A 31 -4.519 2.746 -9.288 1.00 63.14 C ATOM 497 C SER A 31 -5.646 3.686 -8.842 1.00 12.13 C ATOM 498 O SER A 31 -5.609 4.127 -7.690 1.00 42.22 O ATOM 499 CB SER A 31 -4.103 1.792 -8.161 1.00 63.42 C ATOM 500 OG SER A 31 -3.593 0.585 -8.704 1.00 3.03 O ATOM 0 H SER A 31 -2.622 3.453 -9.048 1.00 51.14 H new ATOM 0 HA SER A 31 -4.912 2.158 -10.117 1.00 63.14 H new ATOM 0 HB2 SER A 31 -3.347 2.265 -7.534 1.00 63.42 H new ATOM 0 HB3 SER A 31 -4.959 1.578 -7.521 1.00 63.42 H new ATOM 0 HG SER A 31 -2.831 0.281 -8.167 1.00 3.03 H new ATOM 506 N PRO A 32 -6.583 4.142 -9.700 1.00 2.30 N ATOM 507 CA PRO A 32 -7.824 4.668 -9.144 1.00 60.41 C ATOM 508 C PRO A 32 -8.453 3.600 -8.242 1.00 12.04 C ATOM 509 O PRO A 32 -8.346 2.402 -8.504 1.00 31.35 O ATOM 510 CB PRO A 32 -8.724 4.969 -10.336 1.00 74.23 C ATOM 511 CG PRO A 32 -8.297 3.930 -11.369 1.00 55.02 C ATOM 512 CD PRO A 32 -6.806 3.745 -11.085 1.00 20.50 C ATOM 0 HA PRO A 32 -7.668 5.565 -8.544 1.00 60.41 H new ATOM 0 HB2 PRO A 32 -9.779 4.871 -10.079 1.00 74.23 H new ATOM 0 HB3 PRO A 32 -8.579 5.985 -10.703 1.00 74.23 H new ATOM 0 HG2 PRO A 32 -8.848 2.997 -11.252 1.00 55.02 H new ATOM 0 HG3 PRO A 32 -8.473 4.279 -12.387 1.00 55.02 H new ATOM 0 HD2 PRO A 32 -6.510 2.708 -11.241 1.00 20.50 H new ATOM 0 HD3 PRO A 32 -6.206 4.353 -11.762 1.00 20.50 H new ATOM 520 N ILE A 33 -9.137 4.033 -7.188 1.00 55.15 N ATOM 521 CA ILE A 33 -9.864 3.115 -6.314 1.00 43.01 C ATOM 522 C ILE A 33 -11.164 2.792 -7.046 1.00 52.01 C ATOM 523 O ILE A 33 -11.946 3.712 -7.299 1.00 52.01 O ATOM 524 CB ILE A 33 -10.072 3.747 -4.923 1.00 61.14 C ATOM 525 CG1 ILE A 33 -8.713 3.920 -4.210 1.00 12.44 C ATOM 526 CG2 ILE A 33 -11.003 2.885 -4.061 1.00 33.32 C ATOM 527 CD1 ILE A 33 -8.785 4.808 -2.965 1.00 41.23 C ATOM 0 H ILE A 33 -9.204 5.014 -6.917 1.00 55.15 H new ATOM 0 HA ILE A 33 -9.318 2.192 -6.118 1.00 43.01 H new ATOM 0 HB ILE A 33 -10.535 4.724 -5.061 1.00 61.14 H new ATOM 0 HG12 ILE A 33 -8.334 2.939 -3.925 1.00 12.44 H new ATOM 0 HG13 ILE A 33 -7.996 4.348 -4.911 1.00 12.44 H new ATOM 0 HG21 ILE A 33 -11.133 3.353 -3.085 1.00 33.32 H new ATOM 0 HG22 ILE A 33 -11.972 2.794 -4.552 1.00 33.32 H new ATOM 0 HG23 ILE A 33 -10.567 1.894 -3.933 1.00 33.32 H new ATOM 0 HD11 ILE A 33 -7.795 4.885 -2.515 1.00 41.23 H new ATOM 0 HD12 ILE A 33 -9.134 5.801 -3.246 1.00 41.23 H new ATOM 0 HD13 ILE A 33 -9.477 4.370 -2.246 1.00 41.23 H new ATOM 539 N ALA A 34 -11.381 1.533 -7.430 1.00 63.33 N ATOM 540 CA ALA A 34 -12.418 1.137 -8.373 1.00 60.30 C ATOM 541 C ALA A 34 -13.457 0.226 -7.718 1.00 53.10 C ATOM 542 O ALA A 34 -13.190 -0.960 -7.514 1.00 4.22 O ATOM 543 CB ALA A 34 -11.785 0.464 -9.593 1.00 54.42 C ATOM 0 H ALA A 34 -10.828 0.748 -7.085 1.00 63.33 H new ATOM 0 HA ALA A 34 -12.942 2.035 -8.700 1.00 60.30 H new ATOM 0 HB1 ALA A 34 -12.567 0.171 -10.293 1.00 54.42 H new ATOM 0 HB2 ALA A 34 -11.104 1.161 -10.081 1.00 54.42 H new ATOM 0 HB3 ALA A 34 -11.233 -0.420 -9.275 1.00 54.42 H new ATOM 549 N LEU A 35 -14.639 0.757 -7.385 1.00 21.23 N ATOM 550 CA LEU A 35 -15.694 0.050 -6.656 1.00 0.02 C ATOM 551 C LEU A 35 -16.906 -0.292 -7.545 1.00 64.45 C ATOM 552 O LEU A 35 -16.851 -0.068 -8.758 1.00 32.50 O ATOM 553 CB LEU A 35 -16.112 0.872 -5.432 1.00 64.22 C ATOM 554 CG LEU A 35 -15.065 1.163 -4.350 1.00 2.04 C ATOM 555 CD1 LEU A 35 -13.850 0.233 -4.283 1.00 13.04 C ATOM 556 CD2 LEU A 35 -14.693 2.633 -4.401 1.00 42.13 C ATOM 0 H LEU A 35 -14.893 1.716 -7.622 1.00 21.23 H new ATOM 0 HA LEU A 35 -15.288 -0.906 -6.325 1.00 0.02 H new ATOM 0 HB2 LEU A 35 -16.492 1.829 -5.790 1.00 64.22 H new ATOM 0 HB3 LEU A 35 -16.945 0.356 -4.956 1.00 64.22 H new ATOM 0 HG LEU A 35 -15.550 0.929 -3.402 1.00 2.04 H new ATOM 0 HD11 LEU A 35 -13.192 0.552 -3.475 1.00 13.04 H new ATOM 0 HD12 LEU A 35 -14.183 -0.788 -4.098 1.00 13.04 H new ATOM 0 HD13 LEU A 35 -13.309 0.272 -5.229 1.00 13.04 H new ATOM 0 HD21 LEU A 35 -13.949 2.847 -3.634 1.00 42.13 H new ATOM 0 HD22 LEU A 35 -14.282 2.870 -5.382 1.00 42.13 H new ATOM 0 HD23 LEU A 35 -15.581 3.239 -4.224 1.00 42.13 H new ATOM 568 N LEU A 36 -17.974 -0.847 -6.960 1.00 64.32 N ATOM 569 CA LEU A 36 -19.256 -1.209 -7.582 1.00 53.34 C ATOM 570 C LEU A 36 -20.340 -0.243 -7.092 1.00 75.12 C ATOM 571 O LEU A 36 -20.414 0.030 -5.892 1.00 31.22 O ATOM 572 CB LEU A 36 -19.708 -2.628 -7.167 1.00 62.12 C ATOM 573 CG LEU A 36 -18.676 -3.767 -7.257 1.00 54.22 C ATOM 574 CD1 LEU A 36 -19.232 -5.110 -6.775 1.00 34.34 C ATOM 575 CD2 LEU A 36 -18.091 -3.929 -8.657 1.00 21.55 C ATOM 0 H LEU A 36 -17.965 -1.072 -5.965 1.00 64.32 H new ATOM 0 HA LEU A 36 -19.120 -1.165 -8.663 1.00 53.34 H new ATOM 0 HB2 LEU A 36 -20.063 -2.578 -6.138 1.00 62.12 H new ATOM 0 HB3 LEU A 36 -20.563 -2.901 -7.786 1.00 62.12 H new ATOM 0 HG LEU A 36 -17.873 -3.466 -6.584 1.00 54.22 H new ATOM 0 HD11 LEU A 36 -18.461 -5.875 -6.861 1.00 34.34 H new ATOM 0 HD12 LEU A 36 -19.542 -5.023 -5.734 1.00 34.34 H new ATOM 0 HD13 LEU A 36 -20.090 -5.389 -7.387 1.00 34.34 H new ATOM 0 HD21 LEU A 36 -17.370 -4.747 -8.658 1.00 21.55 H new ATOM 0 HD22 LEU A 36 -18.892 -4.150 -9.363 1.00 21.55 H new ATOM 0 HD23 LEU A 36 -17.592 -3.006 -8.952 1.00 21.55 H new ATOM 587 N LYS A 37 -21.208 0.262 -7.973 1.00 31.11 N ATOM 588 CA LYS A 37 -22.374 1.058 -7.586 1.00 12.31 C ATOM 589 C LYS A 37 -23.405 0.181 -6.872 1.00 34.30 C ATOM 590 O LYS A 37 -23.243 -1.034 -6.778 1.00 55.03 O ATOM 591 CB LYS A 37 -23.045 1.678 -8.828 1.00 11.01 C ATOM 592 CG LYS A 37 -22.127 2.382 -9.825 1.00 12.11 C ATOM 593 CD LYS A 37 -21.173 3.400 -9.231 1.00 35.53 C ATOM 594 CE LYS A 37 -21.813 4.698 -8.731 1.00 41.11 C ATOM 595 NZ LYS A 37 -21.765 5.821 -9.694 1.00 73.52 N ATOM 0 H LYS A 37 -21.120 0.129 -8.980 1.00 31.11 H new ATOM 0 HA LYS A 37 -22.029 1.848 -6.919 1.00 12.31 H new ATOM 0 HB2 LYS A 37 -23.579 0.888 -9.356 1.00 11.01 H new ATOM 0 HB3 LYS A 37 -23.792 2.395 -8.488 1.00 11.01 H new ATOM 0 HG2 LYS A 37 -21.543 1.626 -10.350 1.00 12.11 H new ATOM 0 HG3 LYS A 37 -22.745 2.882 -10.571 1.00 12.11 H new ATOM 0 HD2 LYS A 37 -20.645 2.933 -8.400 1.00 35.53 H new ATOM 0 HD3 LYS A 37 -20.425 3.652 -9.983 1.00 35.53 H new ATOM 0 HE2 LYS A 37 -22.854 4.499 -8.477 1.00 41.11 H new ATOM 0 HE3 LYS A 37 -21.313 5.003 -7.812 1.00 41.11 H new ATOM 0 HZ1 LYS A 37 -22.219 6.657 -9.275 1.00 73.52 H new ATOM 0 HZ2 LYS A 37 -20.774 6.042 -9.920 1.00 73.52 H new ATOM 0 HZ3 LYS A 37 -22.268 5.554 -10.564 1.00 73.52 H new ATOM 609 N ASP A 38 -24.521 0.793 -6.483 1.00 72.34 N ATOM 610 CA ASP A 38 -25.728 0.190 -5.906 1.00 42.05 C ATOM 611 C ASP A 38 -26.521 -0.619 -6.960 1.00 15.21 C ATOM 612 O ASP A 38 -27.740 -0.498 -7.096 1.00 1.43 O ATOM 613 CB ASP A 38 -26.544 1.347 -5.306 1.00 54.05 C ATOM 614 CG ASP A 38 -27.564 0.949 -4.236 1.00 72.54 C ATOM 615 OD1 ASP A 38 -27.760 -0.258 -3.967 1.00 52.45 O ATOM 616 OD2 ASP A 38 -28.098 1.905 -3.622 1.00 22.21 O ATOM 0 H ASP A 38 -24.616 1.805 -6.569 1.00 72.34 H new ATOM 0 HA ASP A 38 -25.478 -0.535 -5.131 1.00 42.05 H new ATOM 0 HB2 ASP A 38 -25.853 2.070 -4.873 1.00 54.05 H new ATOM 0 HB3 ASP A 38 -27.071 1.854 -6.114 1.00 54.05 H new ATOM 621 N ASP A 39 -25.814 -1.407 -7.775 1.00 21.51 N ATOM 622 CA ASP A 39 -26.321 -2.184 -8.911 1.00 64.55 C ATOM 623 C ASP A 39 -25.923 -3.661 -8.806 1.00 42.32 C ATOM 624 O ASP A 39 -26.496 -4.510 -9.487 1.00 51.12 O ATOM 625 CB ASP A 39 -25.781 -1.599 -10.221 1.00 24.10 C ATOM 626 CG ASP A 39 -26.734 -1.793 -11.396 1.00 40.43 C ATOM 627 OD1 ASP A 39 -27.634 -0.934 -11.554 1.00 15.13 O ATOM 628 OD2 ASP A 39 -26.545 -2.731 -12.208 1.00 53.11 O ATOM 0 H ASP A 39 -24.809 -1.527 -7.652 1.00 21.51 H new ATOM 0 HA ASP A 39 -27.409 -2.125 -8.898 1.00 64.55 H new ATOM 0 HB2 ASP A 39 -25.591 -0.534 -10.086 1.00 24.10 H new ATOM 0 HB3 ASP A 39 -24.825 -2.067 -10.455 1.00 24.10 H new ATOM 633 N GLY A 40 -24.947 -3.972 -7.947 1.00 55.21 N ATOM 634 CA GLY A 40 -24.276 -5.256 -7.841 1.00 41.24 C ATOM 635 C GLY A 40 -22.903 -5.130 -8.442 1.00 30.14 C ATOM 636 O GLY A 40 -22.009 -4.776 -7.688 1.00 73.10 O ATOM 0 H GLY A 40 -24.590 -3.293 -7.274 1.00 55.21 H new ATOM 0 HA2 GLY A 40 -24.206 -5.561 -6.797 1.00 41.24 H new ATOM 0 HA3 GLY A 40 -24.847 -6.026 -8.360 1.00 41.24 H new ATOM 640 N GLU A 41 -22.730 -5.402 -9.736 1.00 50.20 N ATOM 641 CA GLU A 41 -21.434 -5.677 -10.366 1.00 11.35 C ATOM 642 C GLU A 41 -21.113 -4.589 -11.403 1.00 21.35 C ATOM 643 O GLU A 41 -21.119 -4.802 -12.620 1.00 22.24 O ATOM 644 CB GLU A 41 -21.444 -7.092 -10.960 1.00 74.43 C ATOM 645 CG GLU A 41 -21.712 -8.184 -9.902 1.00 72.41 C ATOM 646 CD GLU A 41 -21.524 -9.613 -10.427 1.00 45.31 C ATOM 647 OE1 GLU A 41 -21.708 -9.853 -11.644 1.00 31.24 O ATOM 648 OE2 GLU A 41 -21.283 -10.529 -9.604 1.00 24.34 O ATOM 0 H GLU A 41 -23.508 -5.439 -10.395 1.00 50.20 H new ATOM 0 HA GLU A 41 -20.636 -5.646 -9.625 1.00 11.35 H new ATOM 0 HB2 GLU A 41 -22.207 -7.150 -11.736 1.00 74.43 H new ATOM 0 HB3 GLU A 41 -20.485 -7.286 -11.441 1.00 74.43 H new ATOM 0 HG2 GLU A 41 -21.045 -8.027 -9.054 1.00 72.41 H new ATOM 0 HG3 GLU A 41 -22.731 -8.074 -9.530 1.00 72.41 H new ATOM 655 N THR A 42 -20.910 -3.374 -10.905 1.00 1.21 N ATOM 656 CA THR A 42 -20.879 -2.126 -11.674 1.00 11.00 C ATOM 657 C THR A 42 -19.460 -1.562 -11.840 1.00 60.14 C ATOM 658 O THR A 42 -18.486 -2.122 -11.333 1.00 73.31 O ATOM 659 CB THR A 42 -21.797 -1.081 -10.999 1.00 41.42 C ATOM 660 OG1 THR A 42 -22.431 -1.581 -9.839 1.00 60.51 O ATOM 661 CG2 THR A 42 -22.869 -0.557 -11.952 1.00 0.30 C ATOM 0 H THR A 42 -20.755 -3.221 -9.909 1.00 1.21 H new ATOM 0 HA THR A 42 -21.242 -2.352 -12.677 1.00 11.00 H new ATOM 0 HB THR A 42 -21.134 -0.264 -10.713 1.00 41.42 H new ATOM 0 HG1 THR A 42 -21.754 -1.808 -9.168 1.00 60.51 H new ATOM 0 HG21 THR A 42 -23.490 0.174 -11.434 1.00 0.30 H new ATOM 0 HG22 THR A 42 -22.393 -0.085 -12.811 1.00 0.30 H new ATOM 0 HG23 THR A 42 -23.491 -1.386 -12.291 1.00 0.30 H new ATOM 669 N GLU A 43 -19.344 -0.409 -12.507 1.00 71.41 N ATOM 670 CA GLU A 43 -18.109 0.347 -12.665 1.00 34.53 C ATOM 671 C GLU A 43 -18.224 1.688 -11.943 1.00 14.42 C ATOM 672 O GLU A 43 -19.214 2.416 -12.080 1.00 72.33 O ATOM 673 CB GLU A 43 -17.811 0.515 -14.163 1.00 42.21 C ATOM 674 CG GLU A 43 -17.023 -0.702 -14.652 1.00 35.14 C ATOM 675 CD GLU A 43 -17.130 -0.955 -16.154 1.00 70.43 C ATOM 676 OE1 GLU A 43 -16.907 -0.019 -16.958 1.00 55.05 O ATOM 677 OE2 GLU A 43 -17.382 -2.115 -16.544 1.00 74.22 O ATOM 0 H GLU A 43 -20.139 0.035 -12.966 1.00 71.41 H new ATOM 0 HA GLU A 43 -17.274 -0.189 -12.214 1.00 34.53 H new ATOM 0 HB2 GLU A 43 -18.741 0.612 -14.724 1.00 42.21 H new ATOM 0 HB3 GLU A 43 -17.239 1.427 -14.333 1.00 42.21 H new ATOM 0 HG2 GLU A 43 -15.973 -0.570 -14.391 1.00 35.14 H new ATOM 0 HG3 GLU A 43 -17.375 -1.586 -14.120 1.00 35.14 H new ATOM 684 N GLN A 44 -17.207 1.985 -11.136 1.00 72.13 N ATOM 685 CA GLN A 44 -17.035 3.215 -10.379 1.00 55.44 C ATOM 686 C GLN A 44 -15.540 3.420 -10.142 1.00 33.51 C ATOM 687 O GLN A 44 -14.849 2.428 -9.914 1.00 12.33 O ATOM 688 CB GLN A 44 -17.750 3.043 -9.031 1.00 51.23 C ATOM 689 CG GLN A 44 -18.164 4.377 -8.402 1.00 40.35 C ATOM 690 CD GLN A 44 -17.023 5.147 -7.768 1.00 33.53 C ATOM 691 OE1 GLN A 44 -16.817 6.318 -8.055 1.00 23.12 O ATOM 692 NE2 GLN A 44 -16.278 4.510 -6.882 1.00 72.14 N ATOM 0 H GLN A 44 -16.438 1.332 -10.987 1.00 72.13 H new ATOM 0 HA GLN A 44 -17.446 4.072 -10.912 1.00 55.44 H new ATOM 0 HB2 GLN A 44 -18.635 2.423 -9.171 1.00 51.23 H new ATOM 0 HB3 GLN A 44 -17.094 2.510 -8.343 1.00 51.23 H new ATOM 0 HG2 GLN A 44 -18.625 4.999 -9.169 1.00 40.35 H new ATOM 0 HG3 GLN A 44 -18.925 4.188 -7.645 1.00 40.35 H new ATOM 0 HE21 GLN A 44 -16.472 3.533 -6.661 1.00 72.14 H new ATOM 0 HE22 GLN A 44 -15.509 4.995 -6.419 1.00 72.14 H new ATOM 701 N THR A 45 -15.043 4.658 -10.091 1.00 42.13 N ATOM 702 CA THR A 45 -13.647 4.972 -9.780 1.00 1.33 C ATOM 703 C THR A 45 -13.520 6.279 -8.980 1.00 62.33 C ATOM 704 O THR A 45 -14.287 7.221 -9.187 1.00 21.33 O ATOM 705 CB THR A 45 -12.812 5.027 -11.075 1.00 31.23 C ATOM 706 OG1 THR A 45 -13.427 5.837 -12.060 1.00 14.44 O ATOM 707 CG2 THR A 45 -12.597 3.630 -11.652 1.00 32.42 C ATOM 0 H THR A 45 -15.611 5.486 -10.268 1.00 42.13 H new ATOM 0 HA THR A 45 -13.256 4.175 -9.148 1.00 1.33 H new ATOM 0 HB THR A 45 -11.850 5.463 -10.806 1.00 31.23 H new ATOM 0 HG1 THR A 45 -12.870 5.851 -12.866 1.00 14.44 H new ATOM 0 HG21 THR A 45 -12.005 3.700 -12.565 1.00 32.42 H new ATOM 0 HG22 THR A 45 -12.070 3.013 -10.924 1.00 32.42 H new ATOM 0 HG23 THR A 45 -13.562 3.178 -11.880 1.00 32.42 H new ATOM 715 N PHE A 46 -12.538 6.359 -8.075 1.00 32.43 N ATOM 716 CA PHE A 46 -12.191 7.536 -7.268 1.00 21.40 C ATOM 717 C PHE A 46 -10.738 7.945 -7.574 1.00 71.11 C ATOM 718 O PHE A 46 -9.917 7.071 -7.884 1.00 1.41 O ATOM 719 CB PHE A 46 -12.336 7.222 -5.758 1.00 41.05 C ATOM 720 CG PHE A 46 -13.652 7.597 -5.089 1.00 52.14 C ATOM 721 CD1 PHE A 46 -14.880 7.289 -5.695 1.00 12.24 C ATOM 722 CD2 PHE A 46 -13.659 8.217 -3.824 1.00 40.34 C ATOM 723 CE1 PHE A 46 -16.097 7.618 -5.070 1.00 72.22 C ATOM 724 CE2 PHE A 46 -14.872 8.560 -3.201 1.00 75.43 C ATOM 725 CZ PHE A 46 -16.095 8.264 -3.824 1.00 61.14 C ATOM 0 H PHE A 46 -11.932 5.563 -7.875 1.00 32.43 H new ATOM 0 HA PHE A 46 -12.869 8.352 -7.518 1.00 21.40 H new ATOM 0 HB2 PHE A 46 -12.180 6.152 -5.620 1.00 41.05 H new ATOM 0 HB3 PHE A 46 -11.531 7.732 -5.229 1.00 41.05 H new ATOM 0 HD1 PHE A 46 -14.891 6.793 -6.654 1.00 12.24 H new ATOM 0 HD2 PHE A 46 -12.724 8.431 -3.328 1.00 40.34 H new ATOM 0 HE1 PHE A 46 -17.033 7.373 -5.549 1.00 72.22 H new ATOM 0 HE2 PHE A 46 -14.863 9.053 -2.240 1.00 75.43 H new ATOM 0 HZ PHE A 46 -17.027 8.531 -3.348 1.00 61.14 H new ATOM 735 N PRO A 47 -10.384 9.241 -7.464 1.00 14.00 N ATOM 736 CA PRO A 47 -9.002 9.714 -7.511 1.00 55.13 C ATOM 737 C PRO A 47 -8.281 9.342 -6.214 1.00 24.11 C ATOM 738 O PRO A 47 -8.674 9.796 -5.138 1.00 31.52 O ATOM 739 CB PRO A 47 -9.097 11.228 -7.735 1.00 40.11 C ATOM 740 CG PRO A 47 -10.449 11.618 -7.142 1.00 15.01 C ATOM 741 CD PRO A 47 -11.306 10.364 -7.313 1.00 62.51 C ATOM 0 HA PRO A 47 -8.418 9.256 -8.310 1.00 55.13 H new ATOM 0 HB2 PRO A 47 -8.280 11.754 -7.241 1.00 40.11 H new ATOM 0 HB3 PRO A 47 -9.042 11.477 -8.795 1.00 40.11 H new ATOM 0 HG2 PRO A 47 -10.358 11.899 -6.093 1.00 15.01 H new ATOM 0 HG3 PRO A 47 -10.882 12.471 -7.664 1.00 15.01 H new ATOM 0 HD2 PRO A 47 -11.955 10.218 -6.449 1.00 62.51 H new ATOM 0 HD3 PRO A 47 -11.953 10.454 -8.186 1.00 62.51 H new ATOM 749 N PHE A 48 -7.243 8.506 -6.292 1.00 32.41 N ATOM 750 CA PHE A 48 -6.494 8.053 -5.124 1.00 43.02 C ATOM 751 C PHE A 48 -5.432 9.115 -4.796 1.00 60.25 C ATOM 752 O PHE A 48 -4.389 9.182 -5.455 1.00 15.10 O ATOM 753 CB PHE A 48 -5.879 6.669 -5.400 1.00 21.13 C ATOM 754 CG PHE A 48 -5.458 5.837 -4.190 1.00 54.23 C ATOM 755 CD1 PHE A 48 -5.232 6.396 -2.913 1.00 31.43 C ATOM 756 CD2 PHE A 48 -5.330 4.444 -4.348 1.00 44.21 C ATOM 757 CE1 PHE A 48 -4.923 5.569 -1.819 1.00 62.44 C ATOM 758 CE2 PHE A 48 -5.029 3.615 -3.259 1.00 52.33 C ATOM 759 CZ PHE A 48 -4.835 4.179 -1.993 1.00 2.35 C ATOM 0 H PHE A 48 -6.899 8.124 -7.173 1.00 32.41 H new ATOM 0 HA PHE A 48 -7.146 7.938 -4.258 1.00 43.02 H new ATOM 0 HB2 PHE A 48 -6.600 6.088 -5.975 1.00 21.13 H new ATOM 0 HB3 PHE A 48 -5.004 6.809 -6.035 1.00 21.13 H new ATOM 0 HD1 PHE A 48 -5.297 7.465 -2.776 1.00 31.43 H new ATOM 0 HD2 PHE A 48 -5.466 4.006 -5.326 1.00 44.21 H new ATOM 0 HE1 PHE A 48 -4.753 6.003 -0.845 1.00 62.44 H new ATOM 0 HE2 PHE A 48 -4.947 2.547 -3.396 1.00 52.33 H new ATOM 0 HZ PHE A 48 -4.617 3.543 -1.148 1.00 2.35 H new ATOM 769 N THR A 49 -5.705 9.972 -3.812 1.00 35.53 N ATOM 770 CA THR A 49 -4.829 11.060 -3.386 1.00 2.52 C ATOM 771 C THR A 49 -4.230 10.761 -2.000 1.00 13.31 C ATOM 772 O THR A 49 -4.469 9.702 -1.418 1.00 14.22 O ATOM 773 CB THR A 49 -5.625 12.379 -3.409 1.00 41.55 C ATOM 774 OG1 THR A 49 -6.698 12.328 -2.490 1.00 21.43 O ATOM 775 CG2 THR A 49 -6.187 12.712 -4.797 1.00 13.04 C ATOM 0 H THR A 49 -6.570 9.925 -3.273 1.00 35.53 H new ATOM 0 HA THR A 49 -3.988 11.156 -4.073 1.00 2.52 H new ATOM 0 HB THR A 49 -4.919 13.162 -3.131 1.00 41.55 H new ATOM 0 HG1 THR A 49 -7.192 13.174 -2.516 1.00 21.43 H new ATOM 0 HG21 THR A 49 -6.738 13.652 -4.751 1.00 13.04 H new ATOM 0 HG22 THR A 49 -5.367 12.807 -5.509 1.00 13.04 H new ATOM 0 HG23 THR A 49 -6.857 11.915 -5.119 1.00 13.04 H new ATOM 783 N ARG A 50 -3.451 11.692 -1.435 1.00 74.01 N ATOM 784 CA ARG A 50 -2.917 11.561 -0.077 1.00 44.23 C ATOM 785 C ARG A 50 -4.023 11.466 0.985 1.00 43.24 C ATOM 786 O ARG A 50 -3.839 10.750 1.961 1.00 64.34 O ATOM 787 CB ARG A 50 -1.943 12.727 0.181 1.00 2.10 C ATOM 788 CG ARG A 50 -1.338 12.717 1.597 1.00 53.35 C ATOM 789 CD ARG A 50 -0.251 13.786 1.762 1.00 0.52 C ATOM 790 NE ARG A 50 0.997 13.416 1.082 1.00 23.20 N ATOM 791 CZ ARG A 50 2.055 14.203 0.866 1.00 75.34 C ATOM 792 NH1 ARG A 50 2.056 15.492 1.194 1.00 11.31 N ATOM 793 NH2 ARG A 50 3.122 13.663 0.293 1.00 44.52 N ATOM 0 H ARG A 50 -3.175 12.554 -1.906 1.00 74.01 H new ATOM 0 HA ARG A 50 -2.374 10.619 0.005 1.00 44.23 H new ATOM 0 HB2 ARG A 50 -1.136 12.685 -0.551 1.00 2.10 H new ATOM 0 HB3 ARG A 50 -2.467 13.670 0.025 1.00 2.10 H new ATOM 0 HG2 ARG A 50 -2.127 12.885 2.330 1.00 53.35 H new ATOM 0 HG3 ARG A 50 -0.915 11.734 1.804 1.00 53.35 H new ATOM 0 HD2 ARG A 50 -0.613 14.734 1.364 1.00 0.52 H new ATOM 0 HD3 ARG A 50 -0.053 13.940 2.823 1.00 0.52 H new ATOM 0 HE ARG A 50 1.063 12.458 0.739 1.00 23.20 H new ATOM 0 HH11 ARG A 50 1.231 15.909 1.625 1.00 11.31 H new ATOM 0 HH12 ARG A 50 2.882 16.063 1.015 1.00 11.31 H new ATOM 0 HH21 ARG A 50 3.117 12.677 0.032 1.00 44.52 H new ATOM 0 HH22 ARG A 50 3.948 14.234 0.113 1.00 44.52 H new ATOM 807 N GLU A 51 -5.173 12.123 0.802 1.00 55.11 N ATOM 808 CA GLU A 51 -6.248 12.297 1.801 1.00 3.32 C ATOM 809 C GLU A 51 -7.049 11.025 2.137 1.00 55.33 C ATOM 810 O GLU A 51 -8.118 11.090 2.747 1.00 64.22 O ATOM 811 CB GLU A 51 -7.145 13.452 1.309 1.00 24.23 C ATOM 812 CG GLU A 51 -7.969 14.119 2.426 1.00 35.31 C ATOM 813 CD GLU A 51 -8.000 15.644 2.302 1.00 24.23 C ATOM 814 OE1 GLU A 51 -6.913 16.271 2.312 1.00 43.54 O ATOM 815 OE2 GLU A 51 -9.096 16.247 2.220 1.00 13.30 O ATOM 0 H GLU A 51 -5.396 12.571 -0.087 1.00 55.11 H new ATOM 0 HA GLU A 51 -5.787 12.537 2.759 1.00 3.32 H new ATOM 0 HB2 GLU A 51 -6.520 14.207 0.831 1.00 24.23 H new ATOM 0 HB3 GLU A 51 -7.825 13.072 0.546 1.00 24.23 H new ATOM 0 HG2 GLU A 51 -8.989 13.735 2.399 1.00 35.31 H new ATOM 0 HG3 GLU A 51 -7.551 13.845 3.394 1.00 35.31 H new ATOM 822 N LYS A 52 -6.552 9.868 1.715 1.00 43.35 N ATOM 823 CA LYS A 52 -7.108 8.525 1.865 1.00 44.41 C ATOM 824 C LYS A 52 -5.958 7.522 2.061 1.00 71.02 C ATOM 825 O LYS A 52 -6.220 6.325 2.051 1.00 4.21 O ATOM 826 CB LYS A 52 -8.026 8.191 0.666 1.00 14.13 C ATOM 827 CG LYS A 52 -7.637 8.879 -0.648 1.00 34.40 C ATOM 828 CD LYS A 52 -8.395 8.371 -1.868 1.00 2.32 C ATOM 829 CE LYS A 52 -9.904 8.204 -1.730 1.00 21.12 C ATOM 830 NZ LYS A 52 -10.619 9.455 -1.396 1.00 74.55 N ATOM 0 H LYS A 52 -5.665 9.843 1.211 1.00 43.35 H new ATOM 0 HA LYS A 52 -7.739 8.465 2.752 1.00 44.41 H new ATOM 0 HB2 LYS A 52 -8.021 7.112 0.511 1.00 14.13 H new ATOM 0 HB3 LYS A 52 -9.048 8.472 0.919 1.00 14.13 H new ATOM 0 HG2 LYS A 52 -7.808 9.951 -0.548 1.00 34.40 H new ATOM 0 HG3 LYS A 52 -6.569 8.741 -0.815 1.00 34.40 H new ATOM 0 HD2 LYS A 52 -8.205 9.057 -2.694 1.00 2.32 H new ATOM 0 HD3 LYS A 52 -7.973 7.407 -2.151 1.00 2.32 H new ATOM 0 HE2 LYS A 52 -10.302 7.808 -2.664 1.00 21.12 H new ATOM 0 HE3 LYS A 52 -10.108 7.463 -0.957 1.00 21.12 H new ATOM 0 HZ1 LYS A 52 -11.645 9.294 -1.452 1.00 74.55 H new ATOM 0 HZ2 LYS A 52 -10.367 9.752 -0.432 1.00 74.55 H new ATOM 0 HZ3 LYS A 52 -10.348 10.200 -2.069 1.00 74.55 H new ATOM 844 N TRP A 53 -4.702 7.963 2.228 1.00 3.34 N ATOM 845 CA TRP A 53 -3.609 7.045 2.535 1.00 3.53 C ATOM 846 C TRP A 53 -3.898 6.321 3.852 1.00 3.33 C ATOM 847 O TRP A 53 -4.539 6.907 4.730 1.00 42.11 O ATOM 848 CB TRP A 53 -2.266 7.785 2.623 1.00 0.23 C ATOM 849 CG TRP A 53 -1.084 6.873 2.792 1.00 13.53 C ATOM 850 CD1 TRP A 53 -0.439 6.615 3.955 1.00 1.33 C ATOM 851 CD2 TRP A 53 -0.487 5.984 1.800 1.00 71.14 C ATOM 852 NE1 TRP A 53 0.530 5.651 3.736 1.00 33.41 N ATOM 853 CE2 TRP A 53 0.539 5.222 2.429 1.00 55.10 C ATOM 854 CE3 TRP A 53 -0.730 5.719 0.436 1.00 21.41 C ATOM 855 CZ2 TRP A 53 1.301 4.266 1.743 1.00 40.31 C ATOM 856 CZ3 TRP A 53 0.019 4.750 -0.259 1.00 3.13 C ATOM 857 CH2 TRP A 53 1.045 4.028 0.383 1.00 42.24 C ATOM 0 H TRP A 53 -4.425 8.942 2.155 1.00 3.34 H new ATOM 0 HA TRP A 53 -3.537 6.317 1.727 1.00 3.53 H new ATOM 0 HB2 TRP A 53 -2.129 8.379 1.720 1.00 0.23 H new ATOM 0 HB3 TRP A 53 -2.299 8.481 3.461 1.00 0.23 H new ATOM 0 HD1 TRP A 53 -0.648 7.087 4.904 1.00 1.33 H new ATOM 0 HE1 TRP A 53 1.161 5.301 4.457 1.00 33.41 H new ATOM 0 HE3 TRP A 53 -1.502 6.268 -0.083 1.00 21.41 H new ATOM 0 HZ2 TRP A 53 2.078 3.718 2.256 1.00 40.31 H new ATOM 0 HZ3 TRP A 53 -0.196 4.557 -1.300 1.00 3.13 H new ATOM 0 HH2 TRP A 53 1.627 3.301 -0.164 1.00 42.24 H new ATOM 868 N ALA A 54 -3.370 5.102 3.986 1.00 60.33 N ATOM 869 CA ALA A 54 -3.272 4.350 5.222 1.00 1.52 C ATOM 870 C ALA A 54 -1.812 3.954 5.423 1.00 74.02 C ATOM 871 O ALA A 54 -1.226 3.324 4.538 1.00 22.11 O ATOM 872 CB ALA A 54 -4.160 3.111 5.175 1.00 62.10 C ATOM 0 H ALA A 54 -2.982 4.595 3.191 1.00 60.33 H new ATOM 0 HA ALA A 54 -3.613 4.964 6.056 1.00 1.52 H new ATOM 0 HB1 ALA A 54 -4.070 2.563 6.113 1.00 62.10 H new ATOM 0 HB2 ALA A 54 -5.197 3.412 5.029 1.00 62.10 H new ATOM 0 HB3 ALA A 54 -3.848 2.471 4.349 1.00 62.10 H new ATOM 878 N LEU A 55 -1.224 4.373 6.543 1.00 23.03 N ATOM 879 CA LEU A 55 0.161 4.092 6.908 1.00 75.03 C ATOM 880 C LEU A 55 0.400 2.580 7.029 1.00 74.01 C ATOM 881 O LEU A 55 -0.546 1.789 7.083 1.00 60.02 O ATOM 882 CB LEU A 55 0.555 4.889 8.170 1.00 2.53 C ATOM 883 CG LEU A 55 0.744 6.399 7.879 1.00 63.43 C ATOM 884 CD1 LEU A 55 0.656 7.272 9.126 1.00 4.21 C ATOM 885 CD2 LEU A 55 2.064 6.701 7.155 1.00 64.32 C ATOM 0 H LEU A 55 -1.714 4.933 7.241 1.00 23.03 H new ATOM 0 HA LEU A 55 0.824 4.432 6.112 1.00 75.03 H new ATOM 0 HB2 LEU A 55 -0.214 4.762 8.932 1.00 2.53 H new ATOM 0 HB3 LEU A 55 1.479 4.482 8.580 1.00 2.53 H new ATOM 0 HG LEU A 55 -0.090 6.651 7.224 1.00 63.43 H new ATOM 0 HD11 LEU A 55 0.797 8.317 8.849 1.00 4.21 H new ATOM 0 HD12 LEU A 55 -0.323 7.148 9.588 1.00 4.21 H new ATOM 0 HD13 LEU A 55 1.431 6.976 9.833 1.00 4.21 H new ATOM 0 HD21 LEU A 55 2.144 7.773 6.976 1.00 64.32 H new ATOM 0 HD22 LEU A 55 2.901 6.372 7.772 1.00 64.32 H new ATOM 0 HD23 LEU A 55 2.086 6.172 6.202 1.00 64.32 H new ATOM 897 N LEU A 56 1.675 2.184 6.983 1.00 3.54 N ATOM 898 CA LEU A 56 2.110 0.798 6.834 1.00 74.23 C ATOM 899 C LEU A 56 3.355 0.554 7.680 1.00 21.05 C ATOM 900 O LEU A 56 4.278 1.378 7.659 1.00 34.23 O ATOM 901 CB LEU A 56 2.477 0.502 5.368 1.00 15.52 C ATOM 902 CG LEU A 56 1.382 0.746 4.315 1.00 60.43 C ATOM 903 CD1 LEU A 56 2.006 0.729 2.913 1.00 42.22 C ATOM 904 CD2 LEU A 56 0.292 -0.326 4.403 1.00 11.42 C ATOM 0 H LEU A 56 2.453 2.840 7.051 1.00 3.54 H new ATOM 0 HA LEU A 56 1.292 0.153 7.153 1.00 74.23 H new ATOM 0 HB2 LEU A 56 3.342 1.110 5.105 1.00 15.52 H new ATOM 0 HB3 LEU A 56 2.788 -0.541 5.300 1.00 15.52 H new ATOM 0 HG LEU A 56 0.928 1.718 4.507 1.00 60.43 H new ATOM 0 HD11 LEU A 56 1.230 0.902 2.167 1.00 42.22 H new ATOM 0 HD12 LEU A 56 2.760 1.513 2.841 1.00 42.22 H new ATOM 0 HD13 LEU A 56 2.472 -0.240 2.734 1.00 42.22 H new ATOM 0 HD21 LEU A 56 -0.471 -0.132 3.649 1.00 11.42 H new ATOM 0 HD22 LEU A 56 0.732 -1.308 4.230 1.00 11.42 H new ATOM 0 HD23 LEU A 56 -0.163 -0.302 5.393 1.00 11.42 H new ATOM 916 N ASP A 57 3.403 -0.599 8.353 1.00 53.44 N ATOM 917 CA ASP A 57 4.452 -1.019 9.286 1.00 73.01 C ATOM 918 C ASP A 57 5.358 -2.100 8.684 1.00 73.04 C ATOM 919 O ASP A 57 5.185 -2.530 7.542 1.00 63.44 O ATOM 920 CB ASP A 57 3.839 -1.494 10.618 1.00 34.11 C ATOM 921 CG ASP A 57 2.904 -2.696 10.479 1.00 14.35 C ATOM 922 OD1 ASP A 57 3.257 -3.698 9.826 1.00 75.14 O ATOM 923 OD2 ASP A 57 1.764 -2.609 10.993 1.00 0.21 O ATOM 0 H ASP A 57 2.671 -1.303 8.256 1.00 53.44 H new ATOM 0 HA ASP A 57 5.078 -0.149 9.484 1.00 73.01 H new ATOM 0 HB2 ASP A 57 4.645 -1.751 11.306 1.00 34.11 H new ATOM 0 HB3 ASP A 57 3.288 -0.668 11.067 1.00 34.11 H new ATOM 928 N GLU A 58 6.371 -2.511 9.450 1.00 40.10 N ATOM 929 CA GLU A 58 7.426 -3.409 9.028 1.00 0.54 C ATOM 930 C GLU A 58 6.864 -4.781 8.692 1.00 34.04 C ATOM 931 O GLU A 58 7.160 -5.356 7.651 1.00 51.12 O ATOM 932 CB GLU A 58 8.462 -3.468 10.146 1.00 55.52 C ATOM 933 CG GLU A 58 9.499 -4.532 9.803 1.00 61.20 C ATOM 934 CD GLU A 58 10.707 -4.629 10.732 1.00 72.30 C ATOM 935 OE1 GLU A 58 11.383 -3.605 10.986 1.00 74.30 O ATOM 936 OE2 GLU A 58 11.067 -5.770 11.103 1.00 55.52 O ATOM 0 H GLU A 58 6.475 -2.210 10.419 1.00 40.10 H new ATOM 0 HA GLU A 58 7.901 -3.045 8.117 1.00 0.54 H new ATOM 0 HB2 GLU A 58 8.943 -2.497 10.265 1.00 55.52 H new ATOM 0 HB3 GLU A 58 7.980 -3.704 11.095 1.00 55.52 H new ATOM 0 HG2 GLU A 58 9.001 -5.502 9.788 1.00 61.20 H new ATOM 0 HG3 GLU A 58 9.860 -4.343 8.792 1.00 61.20 H new ATOM 943 N GLU A 59 6.091 -5.316 9.625 1.00 63.42 N ATOM 944 CA GLU A 59 5.510 -6.650 9.527 1.00 60.11 C ATOM 945 C GLU A 59 4.519 -6.752 8.363 1.00 31.04 C ATOM 946 O GLU A 59 4.314 -7.838 7.819 1.00 31.11 O ATOM 947 CB GLU A 59 4.900 -7.038 10.879 1.00 75.00 C ATOM 948 CG GLU A 59 6.026 -7.345 11.879 1.00 0.52 C ATOM 949 CD GLU A 59 5.547 -7.338 13.328 1.00 75.40 C ATOM 950 OE1 GLU A 59 5.147 -8.414 13.846 1.00 71.00 O ATOM 951 OE2 GLU A 59 5.675 -6.273 13.973 1.00 52.50 O ATOM 0 H GLU A 59 5.845 -4.829 10.487 1.00 63.42 H new ATOM 0 HA GLU A 59 6.294 -7.372 9.297 1.00 60.11 H new ATOM 0 HB2 GLU A 59 4.276 -6.227 11.255 1.00 75.00 H new ATOM 0 HB3 GLU A 59 4.255 -7.909 10.763 1.00 75.00 H new ATOM 0 HG2 GLU A 59 6.456 -8.320 11.648 1.00 0.52 H new ATOM 0 HG3 GLU A 59 6.822 -6.610 11.760 1.00 0.52 H new ATOM 958 N THR A 60 3.966 -5.627 7.920 1.00 74.33 N ATOM 959 CA THR A 60 3.221 -5.518 6.683 1.00 60.21 C ATOM 960 C THR A 60 4.183 -5.566 5.482 1.00 3.24 C ATOM 961 O THR A 60 3.926 -6.301 4.523 1.00 60.12 O ATOM 962 CB THR A 60 2.370 -4.240 6.753 1.00 13.51 C ATOM 963 OG1 THR A 60 1.573 -4.283 7.924 1.00 43.42 O ATOM 964 CG2 THR A 60 1.440 -4.083 5.551 1.00 52.22 C ATOM 0 H THR A 60 4.029 -4.746 8.430 1.00 74.33 H new ATOM 0 HA THR A 60 2.542 -6.359 6.544 1.00 60.21 H new ATOM 0 HB THR A 60 3.058 -3.394 6.760 1.00 13.51 H new ATOM 0 HG1 THR A 60 2.150 -4.234 8.715 1.00 43.42 H new ATOM 0 HG21 THR A 60 0.864 -3.164 5.654 1.00 52.22 H new ATOM 0 HG22 THR A 60 2.032 -4.040 4.636 1.00 52.22 H new ATOM 0 HG23 THR A 60 0.760 -4.934 5.503 1.00 52.22 H new ATOM 972 N LEU A 61 5.297 -4.830 5.497 1.00 23.14 N ATOM 973 CA LEU A 61 6.288 -4.797 4.419 1.00 22.31 C ATOM 974 C LEU A 61 7.357 -5.871 4.670 1.00 31.34 C ATOM 975 O LEU A 61 8.568 -5.607 4.646 1.00 33.13 O ATOM 976 CB LEU A 61 6.904 -3.388 4.291 1.00 75.11 C ATOM 977 CG LEU A 61 6.090 -2.308 3.553 1.00 0.24 C ATOM 978 CD1 LEU A 61 5.703 -2.754 2.145 1.00 4.33 C ATOM 979 CD2 LEU A 61 4.836 -1.835 4.274 1.00 72.32 C ATOM 0 H LEU A 61 5.541 -4.224 6.281 1.00 23.14 H new ATOM 0 HA LEU A 61 5.801 -5.020 3.469 1.00 22.31 H new ATOM 0 HB2 LEU A 61 7.111 -3.021 5.296 1.00 75.11 H new ATOM 0 HB3 LEU A 61 7.864 -3.488 3.784 1.00 75.11 H new ATOM 0 HG LEU A 61 6.773 -1.459 3.515 1.00 0.24 H new ATOM 0 HD11 LEU A 61 5.130 -1.965 1.658 1.00 4.33 H new ATOM 0 HD12 LEU A 61 6.605 -2.958 1.567 1.00 4.33 H new ATOM 0 HD13 LEU A 61 5.098 -3.659 2.203 1.00 4.33 H new ATOM 0 HD21 LEU A 61 4.335 -1.076 3.673 1.00 72.32 H new ATOM 0 HD22 LEU A 61 4.164 -2.679 4.427 1.00 72.32 H new ATOM 0 HD23 LEU A 61 5.110 -1.410 5.240 1.00 72.32 H new ATOM 991 N LYS A 62 6.914 -7.112 4.885 1.00 43.51 N ATOM 992 CA LYS A 62 7.786 -8.236 5.146 1.00 72.40 C ATOM 993 C LYS A 62 7.509 -9.328 4.137 1.00 12.43 C ATOM 994 O LYS A 62 6.413 -9.416 3.588 1.00 74.01 O ATOM 995 CB LYS A 62 7.573 -8.749 6.572 1.00 34.02 C ATOM 996 CG LYS A 62 8.801 -8.480 7.444 1.00 21.23 C ATOM 997 CD LYS A 62 8.656 -9.005 8.886 1.00 13.53 C ATOM 998 CE LYS A 62 9.328 -8.017 9.854 1.00 60.44 C ATOM 999 NZ LYS A 62 10.113 -8.636 10.939 1.00 71.31 N ATOM 0 H LYS A 62 5.924 -7.357 4.880 1.00 43.51 H new ATOM 0 HA LYS A 62 8.825 -7.921 5.051 1.00 72.40 H new ATOM 0 HB2 LYS A 62 6.700 -8.265 7.009 1.00 34.02 H new ATOM 0 HB3 LYS A 62 7.366 -9.819 6.550 1.00 34.02 H new ATOM 0 HG2 LYS A 62 9.673 -8.943 6.983 1.00 21.23 H new ATOM 0 HG3 LYS A 62 8.988 -7.407 7.473 1.00 21.23 H new ATOM 0 HD2 LYS A 62 7.602 -9.121 9.139 1.00 13.53 H new ATOM 0 HD3 LYS A 62 9.115 -9.989 8.975 1.00 13.53 H new ATOM 0 HE2 LYS A 62 9.984 -7.361 9.281 1.00 60.44 H new ATOM 0 HE3 LYS A 62 8.557 -7.388 10.299 1.00 60.44 H new ATOM 0 HZ1 LYS A 62 10.724 -7.918 11.378 1.00 71.31 H new ATOM 0 HZ2 LYS A 62 9.468 -9.026 11.655 1.00 71.31 H new ATOM 0 HZ3 LYS A 62 10.701 -9.400 10.550 1.00 71.31 H new ATOM 1013 N GLU A 63 8.503 -10.178 3.944 1.00 71.23 N ATOM 1014 CA GLU A 63 8.553 -11.162 2.881 1.00 3.34 C ATOM 1015 C GLU A 63 8.661 -12.555 3.494 1.00 62.42 C ATOM 1016 O GLU A 63 9.705 -12.930 4.038 1.00 32.01 O ATOM 1017 CB GLU A 63 9.713 -10.890 1.907 1.00 3.14 C ATOM 1018 CG GLU A 63 9.938 -9.422 1.537 1.00 63.24 C ATOM 1019 CD GLU A 63 10.985 -8.727 2.431 1.00 54.23 C ATOM 1020 OE1 GLU A 63 10.918 -8.849 3.679 1.00 3.43 O ATOM 1021 OE2 GLU A 63 11.903 -8.074 1.896 1.00 32.34 O ATOM 0 H GLU A 63 9.326 -10.201 4.546 1.00 71.23 H new ATOM 0 HA GLU A 63 7.635 -11.095 2.297 1.00 3.34 H new ATOM 0 HB2 GLU A 63 10.631 -11.280 2.346 1.00 3.14 H new ATOM 0 HB3 GLU A 63 9.534 -11.453 0.991 1.00 3.14 H new ATOM 0 HG2 GLU A 63 10.259 -9.361 0.497 1.00 63.24 H new ATOM 0 HG3 GLU A 63 8.992 -8.886 1.611 1.00 63.24 H new ATOM 1028 N GLY A 64 7.592 -13.337 3.395 1.00 54.34 N ATOM 1029 CA GLY A 64 7.569 -14.717 3.842 1.00 72.21 C ATOM 1030 C GLY A 64 6.147 -15.258 3.848 1.00 50.54 C ATOM 1031 O GLY A 64 5.175 -14.515 3.653 1.00 32.13 O ATOM 0 H GLY A 64 6.707 -13.022 2.996 1.00 54.34 H new ATOM 0 HA2 GLY A 64 8.192 -15.327 3.188 1.00 72.21 H new ATOM 0 HA3 GLY A 64 7.994 -14.787 4.843 1.00 72.21 H new ATOM 1035 N ARG A 65 6.023 -16.566 4.067 1.00 73.42 N ATOM 1036 CA ARG A 65 4.755 -17.216 4.366 1.00 5.34 C ATOM 1037 C ARG A 65 4.507 -17.150 5.869 1.00 24.11 C ATOM 1038 O ARG A 65 5.441 -17.379 6.648 1.00 73.14 O ATOM 1039 CB ARG A 65 4.795 -18.665 3.863 1.00 62.11 C ATOM 1040 CG ARG A 65 3.744 -19.550 4.536 1.00 41.22 C ATOM 1041 CD ARG A 65 3.610 -20.902 3.855 1.00 21.13 C ATOM 1042 NE ARG A 65 2.737 -21.782 4.650 1.00 3.22 N ATOM 1043 CZ ARG A 65 2.238 -22.955 4.243 1.00 5.35 C ATOM 1044 NH1 ARG A 65 2.573 -23.472 3.065 1.00 22.45 N ATOM 1045 NH2 ARG A 65 1.399 -23.624 5.020 1.00 12.25 N ATOM 0 H ARG A 65 6.813 -17.210 4.041 1.00 73.42 H new ATOM 0 HA ARG A 65 3.934 -16.708 3.860 1.00 5.34 H new ATOM 0 HB2 ARG A 65 4.637 -18.676 2.785 1.00 62.11 H new ATOM 0 HB3 ARG A 65 5.786 -19.082 4.044 1.00 62.11 H new ATOM 0 HG2 ARG A 65 4.012 -19.697 5.582 1.00 41.22 H new ATOM 0 HG3 ARG A 65 2.780 -19.041 4.522 1.00 41.22 H new ATOM 0 HD2 ARG A 65 3.198 -20.775 2.854 1.00 21.13 H new ATOM 0 HD3 ARG A 65 4.593 -21.359 3.739 1.00 21.13 H new ATOM 0 HE ARG A 65 2.492 -21.471 5.590 1.00 3.22 H new ATOM 0 HH11 ARG A 65 3.220 -22.973 2.455 1.00 22.45 H new ATOM 0 HH12 ARG A 65 2.183 -24.367 2.771 1.00 22.45 H new ATOM 0 HH21 ARG A 65 1.133 -23.245 5.929 1.00 12.25 H new ATOM 0 HH22 ARG A 65 1.019 -24.518 4.709 1.00 12.25 H new ATOM 1059 N THR A 66 3.255 -16.957 6.263 1.00 53.41 N ATOM 1060 CA THR A 66 2.826 -16.999 7.655 1.00 14.34 C ATOM 1061 C THR A 66 2.161 -18.348 7.995 1.00 33.41 C ATOM 1062 O THR A 66 2.038 -19.235 7.143 1.00 42.40 O ATOM 1063 CB THR A 66 1.929 -15.774 7.940 1.00 73.11 C ATOM 1064 OG1 THR A 66 2.004 -15.483 9.320 1.00 13.42 O ATOM 1065 CG2 THR A 66 0.473 -16.004 7.522 1.00 24.02 C ATOM 0 H THR A 66 2.495 -16.763 5.611 1.00 53.41 H new ATOM 0 HA THR A 66 3.689 -16.935 8.317 1.00 14.34 H new ATOM 0 HB THR A 66 2.290 -14.933 7.347 1.00 73.11 H new ATOM 0 HG1 THR A 66 1.442 -14.706 9.521 1.00 13.42 H new ATOM 0 HG21 THR A 66 -0.114 -15.113 7.744 1.00 24.02 H new ATOM 0 HG22 THR A 66 0.430 -16.210 6.453 1.00 24.02 H new ATOM 0 HG23 THR A 66 0.066 -16.853 8.072 1.00 24.02 H new ATOM 1146 N THR A 73 -2.734 -19.443 4.711 1.00 33.11 N ATOM 1147 CA THR A 73 -1.374 -19.274 4.254 1.00 12.35 C ATOM 1148 C THR A 73 -1.300 -17.923 3.548 1.00 21.35 C ATOM 1149 O THR A 73 -1.584 -17.825 2.356 1.00 34.35 O ATOM 1150 CB THR A 73 -0.996 -20.487 3.390 1.00 52.54 C ATOM 1151 OG1 THR A 73 -0.915 -21.625 4.226 1.00 5.55 O ATOM 1152 CG2 THR A 73 0.356 -20.303 2.715 1.00 44.24 C ATOM 0 HA THR A 73 -0.639 -19.250 5.059 1.00 12.35 H new ATOM 0 HB THR A 73 -1.757 -20.602 2.618 1.00 52.54 H new ATOM 0 HG1 THR A 73 -1.640 -21.599 4.885 1.00 5.55 H new ATOM 0 HG21 THR A 73 0.585 -21.183 2.114 1.00 44.24 H new ATOM 0 HG22 THR A 73 0.325 -19.423 2.073 1.00 44.24 H new ATOM 0 HG23 THR A 73 1.127 -20.171 3.474 1.00 44.24 H new ATOM 1160 N TYR A 74 -0.946 -16.874 4.294 1.00 50.43 N ATOM 1161 CA TYR A 74 -0.584 -15.586 3.704 1.00 70.21 C ATOM 1162 C TYR A 74 0.858 -15.687 3.222 1.00 65.03 C ATOM 1163 O TYR A 74 1.677 -16.338 3.880 1.00 24.45 O ATOM 1164 CB TYR A 74 -0.743 -14.435 4.715 1.00 52.21 C ATOM 1165 CG TYR A 74 -1.026 -13.070 4.107 1.00 63.31 C ATOM 1166 CD1 TYR A 74 -2.027 -12.924 3.133 1.00 33.14 C ATOM 1167 CD2 TYR A 74 -0.341 -11.929 4.560 1.00 10.45 C ATOM 1168 CE1 TYR A 74 -2.343 -11.666 2.601 1.00 5.12 C ATOM 1169 CE2 TYR A 74 -0.656 -10.657 4.044 1.00 40.14 C ATOM 1170 CZ TYR A 74 -1.662 -10.523 3.058 1.00 2.24 C ATOM 1171 OH TYR A 74 -1.985 -9.312 2.528 1.00 14.25 O ATOM 0 H TYR A 74 -0.903 -16.893 5.313 1.00 50.43 H new ATOM 0 HA TYR A 74 -1.251 -15.362 2.871 1.00 70.21 H new ATOM 0 HB2 TYR A 74 -1.553 -14.684 5.400 1.00 52.21 H new ATOM 0 HB3 TYR A 74 0.168 -14.368 5.310 1.00 52.21 H new ATOM 0 HD1 TYR A 74 -2.563 -13.796 2.788 1.00 33.14 H new ATOM 0 HD2 TYR A 74 0.431 -12.028 5.308 1.00 10.45 H new ATOM 0 HE1 TYR A 74 -3.107 -11.575 1.843 1.00 5.12 H new ATOM 0 HE2 TYR A 74 -0.130 -9.784 4.401 1.00 40.14 H new ATOM 0 HH TYR A 74 -1.433 -8.616 2.941 1.00 14.25 H new ATOM 1181 N ILE A 75 1.172 -15.069 2.086 1.00 54.44 N ATOM 1182 CA ILE A 75 2.452 -15.106 1.397 1.00 34.33 C ATOM 1183 C ILE A 75 2.717 -13.688 0.900 1.00 12.31 C ATOM 1184 O ILE A 75 1.881 -13.096 0.211 1.00 54.14 O ATOM 1185 CB ILE A 75 2.414 -16.112 0.220 1.00 13.35 C ATOM 1186 CG1 ILE A 75 2.052 -17.537 0.693 1.00 31.44 C ATOM 1187 CG2 ILE A 75 3.784 -16.131 -0.492 1.00 1.33 C ATOM 1188 CD1 ILE A 75 1.667 -18.480 -0.448 1.00 14.33 C ATOM 0 H ILE A 75 0.491 -14.492 1.593 1.00 54.44 H new ATOM 0 HA ILE A 75 3.248 -15.438 2.063 1.00 34.33 H new ATOM 0 HB ILE A 75 1.638 -15.785 -0.473 1.00 13.35 H new ATOM 0 HG12 ILE A 75 2.901 -17.959 1.232 1.00 31.44 H new ATOM 0 HG13 ILE A 75 1.224 -17.477 1.399 1.00 31.44 H new ATOM 0 HG21 ILE A 75 3.754 -16.840 -1.320 1.00 1.33 H new ATOM 0 HG22 ILE A 75 4.009 -15.135 -0.875 1.00 1.33 H new ATOM 0 HG23 ILE A 75 4.557 -16.431 0.215 1.00 1.33 H new ATOM 0 HD11 ILE A 75 1.425 -19.462 -0.042 1.00 14.33 H new ATOM 0 HD12 ILE A 75 0.799 -18.081 -0.973 1.00 14.33 H new ATOM 0 HD13 ILE A 75 2.502 -18.570 -1.143 1.00 14.33 H new ATOM 1200 N SER A 76 3.894 -13.152 1.215 1.00 10.22 N ATOM 1201 CA SER A 76 4.288 -11.799 0.845 1.00 23.34 C ATOM 1202 C SER A 76 5.671 -11.838 0.203 1.00 65.03 C ATOM 1203 O SER A 76 6.556 -12.538 0.713 1.00 1.33 O ATOM 1204 CB SER A 76 4.278 -10.923 2.099 1.00 54.32 C ATOM 1205 OG SER A 76 3.040 -11.032 2.777 1.00 32.02 O ATOM 0 H SER A 76 4.609 -13.654 1.742 1.00 10.22 H new ATOM 0 HA SER A 76 3.590 -11.376 0.122 1.00 23.34 H new ATOM 0 HB2 SER A 76 5.089 -11.221 2.763 1.00 54.32 H new ATOM 0 HB3 SER A 76 4.457 -9.884 1.824 1.00 54.32 H new ATOM 0 HG SER A 76 3.054 -10.466 3.577 1.00 32.02 H new ATOM 1211 N HIS A 77 5.874 -11.116 -0.903 1.00 43.11 N ATOM 1212 CA HIS A 77 7.170 -10.965 -1.558 1.00 2.13 C ATOM 1213 C HIS A 77 7.147 -9.859 -2.610 1.00 23.15 C ATOM 1214 O HIS A 77 6.092 -9.328 -2.952 1.00 71.40 O ATOM 1215 CB HIS A 77 7.621 -12.280 -2.218 1.00 14.11 C ATOM 1216 CG HIS A 77 6.795 -12.837 -3.365 1.00 33.01 C ATOM 1217 ND1 HIS A 77 7.319 -13.685 -4.314 1.00 31.21 N ATOM 1218 CD2 HIS A 77 5.474 -12.617 -3.699 1.00 25.05 C ATOM 1219 CE1 HIS A 77 6.358 -13.970 -5.200 1.00 12.25 C ATOM 1220 NE2 HIS A 77 5.208 -13.377 -4.847 1.00 12.43 N ATOM 0 H HIS A 77 5.124 -10.611 -1.375 1.00 43.11 H new ATOM 0 HA HIS A 77 7.881 -10.693 -0.778 1.00 2.13 H new ATOM 0 HB2 HIS A 77 8.638 -12.136 -2.582 1.00 14.11 H new ATOM 0 HB3 HIS A 77 7.665 -13.043 -1.441 1.00 14.11 H new ATOM 0 HD2 HIS A 77 4.777 -11.980 -3.175 1.00 25.05 H new ATOM 0 HE1 HIS A 77 6.490 -14.589 -6.075 1.00 12.25 H new ATOM 0 HE2 HIS A 77 4.310 -13.463 -5.323 1.00 12.43 H new ATOM 1228 N PHE A 78 8.321 -9.561 -3.165 1.00 12.51 N ATOM 1229 CA PHE A 78 8.435 -8.868 -4.445 1.00 24.24 C ATOM 1230 C PHE A 78 8.153 -9.861 -5.572 1.00 33.02 C ATOM 1231 O PHE A 78 8.546 -11.023 -5.462 1.00 70.32 O ATOM 1232 CB PHE A 78 9.854 -8.310 -4.635 1.00 50.42 C ATOM 1233 CG PHE A 78 10.337 -7.383 -3.539 1.00 64.33 C ATOM 1234 CD1 PHE A 78 10.835 -7.921 -2.341 1.00 13.32 C ATOM 1235 CD2 PHE A 78 10.311 -5.987 -3.710 1.00 75.33 C ATOM 1236 CE1 PHE A 78 11.300 -7.073 -1.330 1.00 4.23 C ATOM 1237 CE2 PHE A 78 10.798 -5.141 -2.700 1.00 55.32 C ATOM 1238 CZ PHE A 78 11.296 -5.682 -1.505 1.00 40.50 C ATOM 0 H PHE A 78 9.218 -9.793 -2.739 1.00 12.51 H new ATOM 0 HA PHE A 78 7.721 -8.045 -4.462 1.00 24.24 H new ATOM 0 HB2 PHE A 78 10.548 -9.147 -4.713 1.00 50.42 H new ATOM 0 HB3 PHE A 78 9.892 -7.775 -5.584 1.00 50.42 H new ATOM 0 HD1 PHE A 78 10.859 -8.991 -2.200 1.00 13.32 H new ATOM 0 HD2 PHE A 78 9.915 -5.564 -4.621 1.00 75.33 H new ATOM 0 HE1 PHE A 78 11.666 -7.494 -0.405 1.00 4.23 H new ATOM 0 HE2 PHE A 78 10.789 -4.071 -2.844 1.00 55.32 H new ATOM 0 HZ PHE A 78 11.672 -5.033 -0.728 1.00 40.50 H new ATOM 1248 N THR A 79 7.576 -9.412 -6.687 1.00 31.34 N ATOM 1249 CA THR A 79 7.302 -10.246 -7.864 1.00 64.32 C ATOM 1250 C THR A 79 8.256 -9.929 -9.025 1.00 25.01 C ATOM 1251 O THR A 79 7.976 -10.224 -10.185 1.00 43.33 O ATOM 1252 CB THR A 79 5.830 -10.082 -8.269 1.00 63.31 C ATOM 1253 OG1 THR A 79 5.511 -8.715 -8.440 1.00 62.10 O ATOM 1254 CG2 THR A 79 4.907 -10.688 -7.213 1.00 73.12 C ATOM 0 H THR A 79 7.280 -8.443 -6.802 1.00 31.34 H new ATOM 0 HA THR A 79 7.481 -11.290 -7.606 1.00 64.32 H new ATOM 0 HB THR A 79 5.684 -10.607 -9.213 1.00 63.31 H new ATOM 0 HG1 THR A 79 4.570 -8.629 -8.700 1.00 62.10 H new ATOM 0 HG21 THR A 79 3.869 -10.560 -7.521 1.00 73.12 H new ATOM 0 HG22 THR A 79 5.126 -11.750 -7.105 1.00 73.12 H new ATOM 0 HG23 THR A 79 5.067 -10.186 -6.259 1.00 73.12 H new ATOM 1262 N VAL A 80 9.362 -9.245 -8.752 1.00 30.24 N ATOM 1263 CA VAL A 80 10.322 -8.786 -9.741 1.00 10.55 C ATOM 1264 C VAL A 80 11.627 -8.506 -9.001 1.00 30.15 C ATOM 1265 O VAL A 80 11.657 -8.253 -7.788 1.00 23.24 O ATOM 1266 CB VAL A 80 9.750 -7.569 -10.525 1.00 10.21 C ATOM 1267 CG1 VAL A 80 9.086 -6.571 -9.583 1.00 11.13 C ATOM 1268 CG2 VAL A 80 10.763 -6.816 -11.406 1.00 62.00 C ATOM 0 H VAL A 80 9.621 -8.987 -7.800 1.00 30.24 H new ATOM 0 HA VAL A 80 10.522 -9.536 -10.506 1.00 10.55 H new ATOM 0 HB VAL A 80 9.022 -8.016 -11.202 1.00 10.21 H new ATOM 0 HG11 VAL A 80 8.696 -5.732 -10.159 1.00 11.13 H new ATOM 0 HG12 VAL A 80 8.268 -7.059 -9.053 1.00 11.13 H new ATOM 0 HG13 VAL A 80 9.819 -6.208 -8.863 1.00 11.13 H new ATOM 0 HG21 VAL A 80 10.263 -5.987 -11.908 1.00 62.00 H new ATOM 0 HG22 VAL A 80 11.570 -6.430 -10.784 1.00 62.00 H new ATOM 0 HG23 VAL A 80 11.174 -7.497 -12.151 1.00 62.00 H new ATOM 1278 N ASN A 81 12.708 -8.544 -9.765 1.00 43.53 N ATOM 1279 CA ASN A 81 14.059 -8.273 -9.348 1.00 31.13 C ATOM 1280 C ASN A 81 14.680 -7.563 -10.538 1.00 24.02 C ATOM 1281 O ASN A 81 15.080 -8.226 -11.489 1.00 53.30 O ATOM 1282 CB ASN A 81 14.751 -9.609 -9.028 1.00 45.52 C ATOM 1283 CG ASN A 81 16.240 -9.457 -8.765 1.00 30.34 C ATOM 1284 OD1 ASN A 81 16.690 -9.584 -7.631 1.00 71.11 O ATOM 1285 ND2 ASN A 81 17.050 -9.182 -9.765 1.00 31.01 N ATOM 0 H ASN A 81 12.652 -8.781 -10.755 1.00 43.53 H new ATOM 0 HA ASN A 81 14.142 -7.661 -8.450 1.00 31.13 H new ATOM 0 HB2 ASN A 81 14.277 -10.058 -8.155 1.00 45.52 H new ATOM 0 HB3 ASN A 81 14.603 -10.297 -9.860 1.00 45.52 H new ATOM 0 HD21 ASN A 81 18.050 -9.075 -9.596 1.00 31.01 H new ATOM 0 HD22 ASN A 81 16.678 -9.076 -10.709 1.00 31.01 H new ATOM 1292 N GLU A 82 14.716 -6.236 -10.521 1.00 12.55 N ATOM 1293 CA GLU A 82 15.487 -5.418 -11.458 1.00 54.11 C ATOM 1294 C GLU A 82 16.194 -4.323 -10.655 1.00 51.33 C ATOM 1295 O GLU A 82 15.819 -4.107 -9.500 1.00 25.11 O ATOM 1296 CB GLU A 82 14.550 -4.827 -12.527 1.00 12.31 C ATOM 1297 CG GLU A 82 14.238 -5.805 -13.658 1.00 33.15 C ATOM 1298 CD GLU A 82 15.488 -6.231 -14.441 1.00 61.12 C ATOM 1299 OE1 GLU A 82 15.986 -5.452 -15.290 1.00 21.14 O ATOM 1300 OE2 GLU A 82 15.987 -7.367 -14.283 1.00 62.42 O ATOM 0 H GLU A 82 14.198 -5.682 -9.839 1.00 12.55 H new ATOM 0 HA GLU A 82 16.234 -6.017 -11.979 1.00 54.11 H new ATOM 0 HB2 GLU A 82 13.618 -4.519 -12.054 1.00 12.31 H new ATOM 0 HB3 GLU A 82 15.007 -3.930 -12.946 1.00 12.31 H new ATOM 0 HG2 GLU A 82 13.756 -6.690 -13.243 1.00 33.15 H new ATOM 0 HG3 GLU A 82 13.525 -5.345 -14.343 1.00 33.15 H new ATOM 1307 N PRO A 83 17.208 -3.641 -11.221 1.00 73.24 N ATOM 1308 CA PRO A 83 18.043 -2.697 -10.480 1.00 40.43 C ATOM 1309 C PRO A 83 17.356 -1.360 -10.157 1.00 23.45 C ATOM 1310 O PRO A 83 17.833 -0.655 -9.266 1.00 74.33 O ATOM 1311 CB PRO A 83 19.291 -2.488 -11.348 1.00 3.13 C ATOM 1312 CG PRO A 83 18.777 -2.760 -12.761 1.00 5.44 C ATOM 1313 CD PRO A 83 17.773 -3.881 -12.543 1.00 50.44 C ATOM 0 HA PRO A 83 18.276 -3.107 -9.497 1.00 40.43 H new ATOM 0 HB2 PRO A 83 19.686 -1.477 -11.250 1.00 3.13 H new ATOM 0 HB3 PRO A 83 20.094 -3.172 -11.072 1.00 3.13 H new ATOM 0 HG2 PRO A 83 18.310 -1.878 -13.198 1.00 5.44 H new ATOM 0 HG3 PRO A 83 19.581 -3.061 -13.433 1.00 5.44 H new ATOM 0 HD2 PRO A 83 16.998 -3.869 -13.310 1.00 50.44 H new ATOM 0 HD3 PRO A 83 18.256 -4.857 -12.593 1.00 50.44 H new ATOM 1321 N ALA A 84 16.246 -1.012 -10.821 1.00 32.03 N ATOM 1322 CA ALA A 84 15.526 0.248 -10.629 1.00 0.53 C ATOM 1323 C ALA A 84 14.001 0.092 -10.690 1.00 75.14 C ATOM 1324 O ALA A 84 13.288 1.097 -10.735 1.00 32.24 O ATOM 1325 CB ALA A 84 16.011 1.244 -11.690 1.00 21.35 C ATOM 0 H ALA A 84 15.816 -1.615 -11.522 1.00 32.03 H new ATOM 0 HA ALA A 84 15.743 0.613 -9.625 1.00 0.53 H new ATOM 0 HB1 ALA A 84 15.487 2.192 -11.566 1.00 21.35 H new ATOM 0 HB2 ALA A 84 17.083 1.404 -11.575 1.00 21.35 H new ATOM 0 HB3 ALA A 84 15.808 0.845 -12.684 1.00 21.35 H new ATOM 1331 N HIS A 85 13.478 -1.136 -10.719 1.00 3.21 N ATOM 1332 CA HIS A 85 12.061 -1.397 -10.863 1.00 63.44 C ATOM 1333 C HIS A 85 11.752 -2.593 -9.982 1.00 35.44 C ATOM 1334 O HIS A 85 12.337 -3.659 -10.187 1.00 44.20 O ATOM 1335 CB HIS A 85 11.797 -1.676 -12.347 1.00 51.10 C ATOM 1336 CG HIS A 85 10.358 -1.624 -12.779 1.00 1.31 C ATOM 1337 ND1 HIS A 85 9.713 -2.554 -13.563 1.00 73.44 N ATOM 1338 CD2 HIS A 85 9.513 -0.561 -12.610 1.00 53.52 C ATOM 1339 CE1 HIS A 85 8.494 -2.068 -13.846 1.00 44.14 C ATOM 1340 NE2 HIS A 85 8.339 -0.846 -13.313 1.00 73.10 N ATOM 0 H HIS A 85 14.042 -1.982 -10.641 1.00 3.21 H new ATOM 0 HA HIS A 85 11.426 -0.565 -10.560 1.00 63.44 H new ATOM 0 HB2 HIS A 85 12.360 -0.954 -12.938 1.00 51.10 H new ATOM 0 HB3 HIS A 85 12.193 -2.663 -12.587 1.00 51.10 H new ATOM 0 HD2 HIS A 85 9.716 0.333 -12.039 1.00 53.52 H new ATOM 0 HE1 HIS A 85 7.743 -2.588 -14.422 1.00 44.14 H new ATOM 0 HE2 HIS A 85 7.522 -0.242 -13.403 1.00 73.10 H new ATOM 1348 N LYS A 86 10.875 -2.429 -8.989 1.00 72.33 N ATOM 1349 CA LYS A 86 10.390 -3.558 -8.203 1.00 43.53 C ATOM 1350 C LYS A 86 8.887 -3.366 -7.957 1.00 61.42 C ATOM 1351 O LYS A 86 8.344 -2.290 -8.183 1.00 42.22 O ATOM 1352 CB LYS A 86 11.201 -3.752 -6.904 1.00 43.30 C ATOM 1353 CG LYS A 86 12.703 -4.040 -7.123 1.00 35.33 C ATOM 1354 CD LYS A 86 13.410 -4.549 -5.853 1.00 44.13 C ATOM 1355 CE LYS A 86 14.817 -3.964 -5.643 1.00 40.51 C ATOM 1356 NZ LYS A 86 15.784 -4.293 -6.714 1.00 74.33 N ATOM 0 H LYS A 86 10.489 -1.526 -8.713 1.00 72.33 H new ATOM 0 HA LYS A 86 10.535 -4.485 -8.758 1.00 43.53 H new ATOM 0 HB2 LYS A 86 11.101 -2.856 -6.291 1.00 43.30 H new ATOM 0 HB3 LYS A 86 10.765 -4.575 -6.338 1.00 43.30 H new ATOM 0 HG2 LYS A 86 12.813 -4.781 -7.915 1.00 35.33 H new ATOM 0 HG3 LYS A 86 13.195 -3.130 -7.466 1.00 35.33 H new ATOM 0 HD2 LYS A 86 12.795 -4.309 -4.986 1.00 44.13 H new ATOM 0 HD3 LYS A 86 13.483 -5.636 -5.901 1.00 44.13 H new ATOM 0 HE2 LYS A 86 14.738 -2.880 -5.563 1.00 40.51 H new ATOM 0 HE3 LYS A 86 15.209 -4.326 -4.693 1.00 40.51 H new ATOM 0 HZ1 LYS A 86 16.661 -3.754 -6.568 1.00 74.33 H new ATOM 0 HZ2 LYS A 86 15.995 -5.311 -6.690 1.00 74.33 H new ATOM 0 HZ3 LYS A 86 15.376 -4.046 -7.638 1.00 74.33 H new ATOM 1370 N GLU A 87 8.210 -4.403 -7.484 1.00 34.13 N ATOM 1371 CA GLU A 87 6.779 -4.465 -7.172 1.00 22.44 C ATOM 1372 C GLU A 87 6.683 -5.293 -5.891 1.00 75.02 C ATOM 1373 O GLU A 87 7.646 -5.994 -5.563 1.00 52.12 O ATOM 1374 CB GLU A 87 6.018 -5.223 -8.271 1.00 62.44 C ATOM 1375 CG GLU A 87 6.043 -4.594 -9.671 1.00 44.14 C ATOM 1376 CD GLU A 87 4.836 -3.716 -10.027 1.00 63.04 C ATOM 1377 OE1 GLU A 87 3.836 -3.672 -9.273 1.00 62.44 O ATOM 1378 OE2 GLU A 87 4.890 -3.134 -11.142 1.00 42.24 O ATOM 0 H GLU A 87 8.676 -5.290 -7.293 1.00 34.13 H new ATOM 0 HA GLU A 87 6.357 -3.464 -7.081 1.00 22.44 H new ATOM 0 HB2 GLU A 87 6.430 -6.230 -8.341 1.00 62.44 H new ATOM 0 HB3 GLU A 87 4.978 -5.325 -7.960 1.00 62.44 H new ATOM 0 HG2 GLU A 87 6.947 -3.992 -9.763 1.00 44.14 H new ATOM 0 HG3 GLU A 87 6.117 -5.394 -10.408 1.00 44.14 H new ATOM 1385 N PHE A 88 5.550 -5.285 -5.191 1.00 62.20 N ATOM 1386 CA PHE A 88 5.364 -6.080 -3.984 1.00 64.21 C ATOM 1387 C PHE A 88 3.922 -6.536 -3.883 1.00 2.45 C ATOM 1388 O PHE A 88 3.003 -5.768 -4.162 1.00 73.21 O ATOM 1389 CB PHE A 88 5.723 -5.237 -2.770 1.00 12.31 C ATOM 1390 CG PHE A 88 6.007 -5.988 -1.481 1.00 14.14 C ATOM 1391 CD1 PHE A 88 7.336 -6.330 -1.178 1.00 71.44 C ATOM 1392 CD2 PHE A 88 4.994 -6.211 -0.523 1.00 60.44 C ATOM 1393 CE1 PHE A 88 7.663 -6.858 0.078 1.00 33.32 C ATOM 1394 CE2 PHE A 88 5.321 -6.747 0.739 1.00 43.52 C ATOM 1395 CZ PHE A 88 6.658 -7.061 1.037 1.00 34.12 C ATOM 0 H PHE A 88 4.736 -4.726 -5.447 1.00 62.20 H new ATOM 0 HA PHE A 88 6.009 -6.957 -4.024 1.00 64.21 H new ATOM 0 HB2 PHE A 88 6.601 -4.640 -3.017 1.00 12.31 H new ATOM 0 HB3 PHE A 88 4.906 -4.540 -2.585 1.00 12.31 H new ATOM 0 HD1 PHE A 88 8.110 -6.185 -1.917 1.00 71.44 H new ATOM 0 HD2 PHE A 88 3.968 -5.971 -0.757 1.00 60.44 H new ATOM 0 HE1 PHE A 88 8.688 -7.109 0.308 1.00 33.32 H new ATOM 0 HE2 PHE A 88 4.548 -6.916 1.474 1.00 43.52 H new ATOM 0 HZ PHE A 88 6.913 -7.460 2.008 1.00 34.12 H new ATOM 1405 N GLU A 89 3.732 -7.768 -3.429 1.00 43.54 N ATOM 1406 CA GLU A 89 2.448 -8.432 -3.370 1.00 25.22 C ATOM 1407 C GLU A 89 2.363 -9.175 -2.047 1.00 13.32 C ATOM 1408 O GLU A 89 3.264 -9.956 -1.717 1.00 61.03 O ATOM 1409 CB GLU A 89 2.358 -9.444 -4.519 1.00 72.20 C ATOM 1410 CG GLU A 89 2.006 -8.724 -5.821 1.00 73.21 C ATOM 1411 CD GLU A 89 1.556 -9.635 -6.960 1.00 50.43 C ATOM 1412 OE1 GLU A 89 1.353 -10.861 -6.777 1.00 70.13 O ATOM 1413 OE2 GLU A 89 1.307 -9.058 -8.040 1.00 53.11 O ATOM 0 H GLU A 89 4.497 -8.347 -3.081 1.00 43.54 H new ATOM 0 HA GLU A 89 1.637 -7.708 -3.455 1.00 25.22 H new ATOM 0 HB2 GLU A 89 3.307 -9.968 -4.628 1.00 72.20 H new ATOM 0 HB3 GLU A 89 1.602 -10.197 -4.294 1.00 72.20 H new ATOM 0 HG2 GLU A 89 1.214 -8.003 -5.618 1.00 73.21 H new ATOM 0 HG3 GLU A 89 2.876 -8.157 -6.152 1.00 73.21 H new ATOM 1420 N ALA A 90 1.269 -8.990 -1.314 1.00 74.21 N ATOM 1421 CA ALA A 90 0.870 -9.859 -0.220 1.00 2.41 C ATOM 1422 C ALA A 90 -0.540 -10.383 -0.499 1.00 54.54 C ATOM 1423 O ALA A 90 -1.405 -9.635 -0.974 1.00 13.42 O ATOM 1424 CB ALA A 90 0.993 -9.120 1.111 1.00 73.12 C ATOM 0 H ALA A 90 0.624 -8.215 -1.470 1.00 74.21 H new ATOM 0 HA ALA A 90 1.531 -10.722 -0.145 1.00 2.41 H new ATOM 0 HB1 ALA A 90 0.691 -9.781 1.923 1.00 73.12 H new ATOM 0 HB2 ALA A 90 2.027 -8.810 1.261 1.00 73.12 H new ATOM 0 HB3 ALA A 90 0.348 -8.241 1.100 1.00 73.12 H new ATOM 1430 N GLY A 91 -0.757 -11.672 -0.243 1.00 24.41 N ATOM 1431 CA GLY A 91 -1.980 -12.377 -0.581 1.00 31.02 C ATOM 1432 C GLY A 91 -2.014 -13.767 0.025 1.00 34.33 C ATOM 1433 O GLY A 91 -0.987 -14.279 0.471 1.00 45.33 O ATOM 0 H GLY A 91 -0.066 -12.265 0.217 1.00 24.41 H new ATOM 0 HA2 GLY A 91 -2.838 -11.805 -0.228 1.00 31.02 H new ATOM 0 HA3 GLY A 91 -2.070 -12.451 -1.665 1.00 31.02 H new ATOM 1437 N TYR A 92 -3.197 -14.382 0.047 1.00 53.23 N ATOM 1438 CA TYR A 92 -3.360 -15.754 0.509 1.00 30.11 C ATOM 1439 C TYR A 92 -3.181 -16.728 -0.660 1.00 72.20 C ATOM 1440 O TYR A 92 -3.476 -16.393 -1.816 1.00 24.45 O ATOM 1441 CB TYR A 92 -4.721 -15.908 1.201 1.00 34.34 C ATOM 1442 CG TYR A 92 -4.814 -15.151 2.509 1.00 3.32 C ATOM 1443 CD1 TYR A 92 -4.345 -15.739 3.699 1.00 13.43 C ATOM 1444 CD2 TYR A 92 -5.309 -13.832 2.534 1.00 62.20 C ATOM 1445 CE1 TYR A 92 -4.339 -15.006 4.899 1.00 52.10 C ATOM 1446 CE2 TYR A 92 -5.280 -13.086 3.723 1.00 3.55 C ATOM 1447 CZ TYR A 92 -4.782 -13.665 4.910 1.00 74.10 C ATOM 1448 OH TYR A 92 -4.697 -12.924 6.048 1.00 2.14 O ATOM 0 H TYR A 92 -4.066 -13.941 -0.255 1.00 53.23 H new ATOM 0 HA TYR A 92 -2.591 -15.994 1.244 1.00 30.11 H new ATOM 0 HB2 TYR A 92 -5.505 -15.557 0.529 1.00 34.34 H new ATOM 0 HB3 TYR A 92 -4.910 -16.965 1.386 1.00 34.34 H new ATOM 0 HD1 TYR A 92 -3.988 -16.758 3.690 1.00 13.43 H new ATOM 0 HD2 TYR A 92 -5.713 -13.393 1.634 1.00 62.20 H new ATOM 0 HE1 TYR A 92 -3.996 -15.469 5.812 1.00 52.10 H new ATOM 0 HE2 TYR A 92 -5.639 -12.068 3.729 1.00 3.55 H new ATOM 0 HH TYR A 92 -5.045 -12.024 5.879 1.00 2.14 H new ATOM 1458 N ASP A 93 -2.681 -17.932 -0.376 1.00 2.54 N ATOM 1459 CA ASP A 93 -2.601 -19.013 -1.360 1.00 53.30 C ATOM 1460 C ASP A 93 -4.025 -19.433 -1.753 1.00 72.44 C ATOM 1461 O ASP A 93 -4.963 -19.244 -0.975 1.00 22.31 O ATOM 1462 CB ASP A 93 -1.786 -20.194 -0.801 1.00 2.44 C ATOM 1463 CG ASP A 93 -1.212 -21.122 -1.874 1.00 65.31 C ATOM 1464 OD1 ASP A 93 -1.463 -20.877 -3.076 1.00 72.24 O ATOM 1465 OD2 ASP A 93 -0.443 -22.041 -1.503 1.00 64.41 O ATOM 0 H ASP A 93 -2.320 -18.185 0.544 1.00 2.54 H new ATOM 0 HA ASP A 93 -2.082 -18.667 -2.254 1.00 53.30 H new ATOM 0 HB2 ASP A 93 -0.966 -19.803 -0.198 1.00 2.44 H new ATOM 0 HB3 ASP A 93 -2.422 -20.777 -0.134 1.00 2.44 H new ATOM 1470 N GLU A 94 -4.210 -19.972 -2.961 1.00 21.32 N ATOM 1471 CA GLU A 94 -5.499 -20.215 -3.633 1.00 12.31 C ATOM 1472 C GLU A 94 -6.432 -18.986 -3.751 1.00 1.02 C ATOM 1473 O GLU A 94 -7.521 -19.088 -4.317 1.00 64.32 O ATOM 1474 CB GLU A 94 -6.197 -21.445 -3.036 1.00 53.40 C ATOM 1475 CG GLU A 94 -5.608 -22.762 -3.553 1.00 3.33 C ATOM 1476 CD GLU A 94 -6.345 -23.960 -2.957 1.00 31.04 C ATOM 1477 OE1 GLU A 94 -6.258 -24.180 -1.731 1.00 52.10 O ATOM 1478 OE2 GLU A 94 -6.989 -24.739 -3.704 1.00 71.11 O ATOM 0 H GLU A 94 -3.420 -20.270 -3.534 1.00 21.32 H new ATOM 0 HA GLU A 94 -5.251 -20.428 -4.673 1.00 12.31 H new ATOM 0 HB2 GLU A 94 -6.113 -21.415 -1.950 1.00 53.40 H new ATOM 0 HB3 GLU A 94 -7.260 -21.407 -3.275 1.00 53.40 H new ATOM 0 HG2 GLU A 94 -5.675 -22.793 -4.640 1.00 3.33 H new ATOM 0 HG3 GLU A 94 -4.550 -22.817 -3.297 1.00 3.33 H new ATOM 1485 N SER A 95 -6.002 -17.805 -3.312 1.00 25.03 N ATOM 1486 CA SER A 95 -6.746 -16.556 -3.337 1.00 74.10 C ATOM 1487 C SER A 95 -6.030 -15.537 -4.218 1.00 73.42 C ATOM 1488 O SER A 95 -5.050 -15.856 -4.905 1.00 74.22 O ATOM 1489 CB SER A 95 -6.932 -16.095 -1.894 1.00 31.44 C ATOM 1490 OG SER A 95 -7.942 -16.872 -1.286 1.00 53.21 O ATOM 0 H SER A 95 -5.073 -17.692 -2.907 1.00 25.03 H new ATOM 0 HA SER A 95 -7.734 -16.684 -3.780 1.00 74.10 H new ATOM 0 HB2 SER A 95 -5.997 -16.197 -1.343 1.00 31.44 H new ATOM 0 HB3 SER A 95 -7.203 -15.040 -1.869 1.00 31.44 H new ATOM 0 HG SER A 95 -8.064 -16.581 -0.358 1.00 53.21 H new ATOM 1496 N GLU A 96 -6.570 -14.324 -4.295 1.00 32.13 N ATOM 1497 CA GLU A 96 -5.896 -13.198 -4.912 1.00 23.52 C ATOM 1498 C GLU A 96 -5.010 -12.495 -3.870 1.00 62.02 C ATOM 1499 O GLU A 96 -5.206 -12.687 -2.664 1.00 32.05 O ATOM 1500 CB GLU A 96 -6.921 -12.290 -5.589 1.00 63.14 C ATOM 1501 CG GLU A 96 -7.883 -11.610 -4.625 1.00 72.53 C ATOM 1502 CD GLU A 96 -8.656 -10.431 -5.249 1.00 23.23 C ATOM 1503 OE1 GLU A 96 -8.285 -9.929 -6.341 1.00 4.15 O ATOM 1504 OE2 GLU A 96 -9.682 -10.010 -4.655 1.00 3.12 O ATOM 0 H GLU A 96 -7.494 -14.099 -3.927 1.00 32.13 H new ATOM 0 HA GLU A 96 -5.224 -13.528 -5.704 1.00 23.52 H new ATOM 0 HB2 GLU A 96 -6.393 -11.525 -6.158 1.00 63.14 H new ATOM 0 HB3 GLU A 96 -7.496 -12.879 -6.304 1.00 63.14 H new ATOM 0 HG2 GLU A 96 -8.597 -12.347 -4.258 1.00 72.53 H new ATOM 0 HG3 GLU A 96 -7.324 -11.250 -3.761 1.00 72.53 H new ATOM 1511 N PRO A 97 -4.025 -11.682 -4.286 1.00 52.51 N ATOM 1512 CA PRO A 97 -3.416 -10.724 -3.386 1.00 12.34 C ATOM 1513 C PRO A 97 -4.367 -9.559 -3.106 1.00 41.23 C ATOM 1514 O PRO A 97 -5.447 -9.441 -3.687 1.00 74.23 O ATOM 1515 CB PRO A 97 -2.108 -10.308 -4.052 1.00 72.22 C ATOM 1516 CG PRO A 97 -2.455 -10.392 -5.541 1.00 23.45 C ATOM 1517 CD PRO A 97 -3.432 -11.571 -5.614 1.00 14.12 C ATOM 0 HA PRO A 97 -3.208 -11.144 -2.402 1.00 12.34 H new ATOM 0 HB2 PRO A 97 -1.806 -9.302 -3.761 1.00 72.22 H new ATOM 0 HB3 PRO A 97 -1.288 -10.975 -3.788 1.00 72.22 H new ATOM 0 HG2 PRO A 97 -2.912 -9.469 -5.900 1.00 23.45 H new ATOM 0 HG3 PRO A 97 -1.568 -10.567 -6.151 1.00 23.45 H new ATOM 0 HD2 PRO A 97 -4.198 -11.398 -6.370 1.00 14.12 H new ATOM 0 HD3 PRO A 97 -2.915 -12.490 -5.889 1.00 14.12 H new ATOM 1525 N SER A 98 -4.003 -8.723 -2.139 1.00 64.13 N ATOM 1526 CA SER A 98 -4.834 -7.609 -1.687 1.00 41.50 C ATOM 1527 C SER A 98 -4.015 -6.364 -1.328 1.00 21.14 C ATOM 1528 O SER A 98 -4.596 -5.325 -1.004 1.00 2.33 O ATOM 1529 CB SER A 98 -5.682 -8.105 -0.510 1.00 0.15 C ATOM 1530 OG SER A 98 -6.665 -9.017 -0.982 1.00 44.30 O ATOM 0 H SER A 98 -3.116 -8.799 -1.642 1.00 64.13 H new ATOM 0 HA SER A 98 -5.481 -7.287 -2.503 1.00 41.50 H new ATOM 0 HB2 SER A 98 -5.046 -8.591 0.230 1.00 0.15 H new ATOM 0 HB3 SER A 98 -6.162 -7.262 -0.014 1.00 0.15 H new ATOM 0 HG SER A 98 -7.205 -9.335 -0.229 1.00 44.30 H new ATOM 1536 N LEU A 99 -2.682 -6.440 -1.406 1.00 54.11 N ATOM 1537 CA LEU A 99 -1.774 -5.378 -1.001 1.00 64.42 C ATOM 1538 C LEU A 99 -0.678 -5.306 -2.062 1.00 64.30 C ATOM 1539 O LEU A 99 0.221 -6.149 -2.070 1.00 33.35 O ATOM 1540 CB LEU A 99 -1.260 -5.685 0.418 1.00 21.13 C ATOM 1541 CG LEU A 99 -0.552 -4.548 1.175 1.00 0.51 C ATOM 1542 CD1 LEU A 99 0.790 -4.142 0.558 1.00 54.14 C ATOM 1543 CD2 LEU A 99 -1.443 -3.317 1.352 1.00 32.05 C ATOM 0 H LEU A 99 -2.199 -7.265 -1.762 1.00 54.11 H new ATOM 0 HA LEU A 99 -2.248 -4.398 -0.943 1.00 64.42 H new ATOM 0 HB2 LEU A 99 -2.107 -6.014 1.020 1.00 21.13 H new ATOM 0 HB3 LEU A 99 -0.570 -6.526 0.352 1.00 21.13 H new ATOM 0 HG LEU A 99 -0.342 -4.966 2.160 1.00 0.51 H new ATOM 0 HD11 LEU A 99 1.231 -3.336 1.144 1.00 54.14 H new ATOM 0 HD12 LEU A 99 1.463 -4.999 0.555 1.00 54.14 H new ATOM 0 HD13 LEU A 99 0.632 -3.802 -0.465 1.00 54.14 H new ATOM 0 HD21 LEU A 99 -0.894 -2.545 1.892 1.00 32.05 H new ATOM 0 HD22 LEU A 99 -1.736 -2.936 0.374 1.00 32.05 H new ATOM 0 HD23 LEU A 99 -2.334 -3.591 1.917 1.00 32.05 H new ATOM 1555 N ARG A 100 -0.793 -4.339 -2.981 1.00 73.42 N ATOM 1556 CA ARG A 100 0.045 -4.198 -4.180 1.00 31.34 C ATOM 1557 C ARG A 100 0.834 -2.899 -4.068 1.00 40.10 C ATOM 1558 O ARG A 100 0.237 -1.876 -3.705 1.00 71.23 O ATOM 1559 CB ARG A 100 -0.837 -4.255 -5.452 1.00 62.01 C ATOM 1560 CG ARG A 100 -0.130 -4.839 -6.685 1.00 60.20 C ATOM 1561 CD ARG A 100 -1.111 -5.406 -7.737 1.00 70.33 C ATOM 1562 NE ARG A 100 -0.890 -6.847 -7.977 1.00 25.11 N ATOM 1563 CZ ARG A 100 -1.755 -7.749 -8.467 1.00 41.40 C ATOM 1564 NH1 ARG A 100 -3.009 -7.434 -8.773 1.00 50.02 N ATOM 1565 NH2 ARG A 100 -1.328 -8.987 -8.637 1.00 34.51 N ATOM 0 H ARG A 100 -1.498 -3.606 -2.908 1.00 73.42 H new ATOM 0 HA ARG A 100 0.756 -5.021 -4.258 1.00 31.34 H new ATOM 0 HB2 ARG A 100 -1.724 -4.852 -5.239 1.00 62.01 H new ATOM 0 HB3 ARG A 100 -1.180 -3.248 -5.688 1.00 62.01 H new ATOM 0 HG2 ARG A 100 0.480 -4.063 -7.147 1.00 60.20 H new ATOM 0 HG3 ARG A 100 0.548 -5.630 -6.366 1.00 60.20 H new ATOM 0 HD2 ARG A 100 -2.136 -5.247 -7.401 1.00 70.33 H new ATOM 0 HD3 ARG A 100 -0.995 -4.860 -8.673 1.00 70.33 H new ATOM 0 HE ARG A 100 0.037 -7.201 -7.741 1.00 25.11 H new ATOM 0 HH11 ARG A 100 -3.343 -6.480 -8.638 1.00 50.02 H new ATOM 0 HH12 ARG A 100 -3.638 -8.146 -9.143 1.00 50.02 H new ATOM 0 HH21 ARG A 100 -0.367 -9.232 -8.398 1.00 34.51 H new ATOM 0 HH22 ARG A 100 -1.959 -9.698 -9.007 1.00 34.51 H new ATOM 1579 N VAL A 101 2.151 -2.910 -4.288 1.00 31.32 N ATOM 1580 CA VAL A 101 2.997 -1.710 -4.154 1.00 41.54 C ATOM 1581 C VAL A 101 4.029 -1.655 -5.291 1.00 11.13 C ATOM 1582 O VAL A 101 5.054 -2.338 -5.251 1.00 11.13 O ATOM 1583 CB VAL A 101 3.672 -1.613 -2.758 1.00 12.42 C ATOM 1584 CG1 VAL A 101 4.245 -0.205 -2.556 1.00 13.23 C ATOM 1585 CG2 VAL A 101 2.704 -1.856 -1.604 1.00 0.52 C ATOM 0 H VAL A 101 2.665 -3.747 -4.564 1.00 31.32 H new ATOM 0 HA VAL A 101 2.348 -0.838 -4.236 1.00 41.54 H new ATOM 0 HB VAL A 101 4.442 -2.384 -2.746 1.00 12.42 H new ATOM 0 HG11 VAL A 101 4.717 -0.142 -1.576 1.00 13.23 H new ATOM 0 HG12 VAL A 101 4.985 0.001 -3.329 1.00 13.23 H new ATOM 0 HG13 VAL A 101 3.440 0.528 -2.619 1.00 13.23 H new ATOM 0 HG21 VAL A 101 3.238 -1.774 -0.657 1.00 0.52 H new ATOM 0 HG22 VAL A 101 1.906 -1.114 -1.636 1.00 0.52 H new ATOM 0 HG23 VAL A 101 2.275 -2.854 -1.693 1.00 0.52 H new ATOM 1595 N VAL A 102 3.779 -0.812 -6.296 1.00 41.10 N ATOM 1596 CA VAL A 102 4.773 -0.519 -7.346 1.00 12.45 C ATOM 1597 C VAL A 102 5.873 0.359 -6.752 1.00 61.10 C ATOM 1598 O VAL A 102 5.582 1.297 -6.003 1.00 35.41 O ATOM 1599 CB VAL A 102 4.153 0.225 -8.552 1.00 23.35 C ATOM 1600 CG1 VAL A 102 5.178 0.563 -9.654 1.00 35.33 C ATOM 1601 CG2 VAL A 102 3.073 -0.602 -9.239 1.00 52.31 C ATOM 0 H VAL A 102 2.895 -0.316 -6.410 1.00 41.10 H new ATOM 0 HA VAL A 102 5.167 -1.471 -7.702 1.00 12.45 H new ATOM 0 HB VAL A 102 3.748 1.138 -8.115 1.00 23.35 H new ATOM 0 HG11 VAL A 102 4.677 1.084 -10.470 1.00 35.33 H new ATOM 0 HG12 VAL A 102 5.959 1.202 -9.241 1.00 35.33 H new ATOM 0 HG13 VAL A 102 5.624 -0.357 -10.031 1.00 35.33 H new ATOM 0 HG21 VAL A 102 2.665 -0.041 -10.080 1.00 52.31 H new ATOM 0 HG22 VAL A 102 3.504 -1.535 -9.600 1.00 52.31 H new ATOM 0 HG23 VAL A 102 2.276 -0.822 -8.529 1.00 52.31 H new ATOM 1611 N PHE A 103 7.118 0.146 -7.182 1.00 74.02 N ATOM 1612 CA PHE A 103 8.246 0.997 -6.835 1.00 2.14 C ATOM 1613 C PHE A 103 9.069 1.330 -8.068 1.00 73.41 C ATOM 1614 O PHE A 103 9.419 0.460 -8.868 1.00 63.34 O ATOM 1615 CB PHE A 103 9.141 0.312 -5.806 1.00 54.24 C ATOM 1616 CG PHE A 103 8.472 0.028 -4.486 1.00 60.13 C ATOM 1617 CD1 PHE A 103 8.422 1.018 -3.488 1.00 0.52 C ATOM 1618 CD2 PHE A 103 7.975 -1.259 -4.228 1.00 52.23 C ATOM 1619 CE1 PHE A 103 7.930 0.705 -2.208 1.00 64.43 C ATOM 1620 CE2 PHE A 103 7.518 -1.576 -2.945 1.00 35.44 C ATOM 1621 CZ PHE A 103 7.508 -0.604 -1.931 1.00 15.42 C ATOM 0 H PHE A 103 7.369 -0.634 -7.789 1.00 74.02 H new ATOM 0 HA PHE A 103 7.847 1.918 -6.410 1.00 2.14 H new ATOM 0 HB2 PHE A 103 9.502 -0.627 -6.225 1.00 54.24 H new ATOM 0 HB3 PHE A 103 10.015 0.939 -5.629 1.00 54.24 H new ATOM 0 HD1 PHE A 103 8.762 2.020 -3.705 1.00 0.52 H new ATOM 0 HD2 PHE A 103 7.946 -1.999 -5.014 1.00 52.23 H new ATOM 0 HE1 PHE A 103 7.877 1.467 -1.444 1.00 64.43 H new ATOM 0 HE2 PHE A 103 7.170 -2.576 -2.732 1.00 35.44 H new ATOM 0 HZ PHE A 103 7.175 -0.865 -0.937 1.00 15.42 H new ATOM 1631 N GLU A 104 9.450 2.597 -8.172 1.00 15.22 N ATOM 1632 CA GLU A 104 10.253 3.135 -9.253 1.00 15.23 C ATOM 1633 C GLU A 104 11.362 3.994 -8.639 1.00 72.20 C ATOM 1634 O GLU A 104 11.193 4.551 -7.550 1.00 43.52 O ATOM 1635 CB GLU A 104 9.329 3.953 -10.161 1.00 41.10 C ATOM 1636 CG GLU A 104 8.501 3.106 -11.139 1.00 15.22 C ATOM 1637 CD GLU A 104 7.436 3.956 -11.842 1.00 3.43 C ATOM 1638 OE1 GLU A 104 7.788 4.906 -12.581 1.00 55.44 O ATOM 1639 OE2 GLU A 104 6.220 3.706 -11.639 1.00 23.01 O ATOM 0 H GLU A 104 9.197 3.301 -7.478 1.00 15.22 H new ATOM 0 HA GLU A 104 10.720 2.353 -9.851 1.00 15.23 H new ATOM 0 HB2 GLU A 104 8.651 4.538 -9.539 1.00 41.10 H new ATOM 0 HB3 GLU A 104 9.931 4.662 -10.730 1.00 41.10 H new ATOM 0 HG2 GLU A 104 9.159 2.655 -11.882 1.00 15.22 H new ATOM 0 HG3 GLU A 104 8.021 2.289 -10.601 1.00 15.22 H new ATOM 1646 N LEU A 105 12.499 4.085 -9.329 1.00 40.24 N ATOM 1647 CA LEU A 105 13.731 4.709 -8.865 1.00 0.24 C ATOM 1648 C LEU A 105 14.178 5.699 -9.941 1.00 63.21 C ATOM 1649 O LEU A 105 14.367 5.308 -11.094 1.00 55.13 O ATOM 1650 CB LEU A 105 14.779 3.599 -8.650 1.00 3.31 C ATOM 1651 CG LEU A 105 16.163 4.085 -8.167 1.00 13.54 C ATOM 1652 CD1 LEU A 105 16.317 4.104 -6.648 1.00 75.03 C ATOM 1653 CD2 LEU A 105 17.246 3.184 -8.762 1.00 20.24 C ATOM 0 H LEU A 105 12.587 3.706 -10.272 1.00 40.24 H new ATOM 0 HA LEU A 105 13.596 5.243 -7.924 1.00 0.24 H new ATOM 0 HB2 LEU A 105 14.387 2.888 -7.923 1.00 3.31 H new ATOM 0 HB3 LEU A 105 14.909 3.058 -9.587 1.00 3.31 H new ATOM 0 HG LEU A 105 16.264 5.116 -8.506 1.00 13.54 H new ATOM 0 HD11 LEU A 105 17.315 4.457 -6.388 1.00 75.03 H new ATOM 0 HD12 LEU A 105 15.572 4.772 -6.215 1.00 75.03 H new ATOM 0 HD13 LEU A 105 16.174 3.097 -6.255 1.00 75.03 H new ATOM 0 HD21 LEU A 105 18.226 3.522 -8.425 1.00 20.24 H new ATOM 0 HD22 LEU A 105 17.084 2.157 -8.436 1.00 20.24 H new ATOM 0 HD23 LEU A 105 17.201 3.231 -9.850 1.00 20.24 H new ATOM 1665 N THR A 106 14.372 6.974 -9.608 1.00 21.43 N ATOM 1666 CA THR A 106 15.035 7.934 -10.495 1.00 0.34 C ATOM 1667 C THR A 106 15.792 8.938 -9.638 1.00 54.33 C ATOM 1668 O THR A 106 15.292 9.345 -8.585 1.00 73.30 O ATOM 1669 CB THR A 106 14.023 8.646 -11.409 1.00 21.42 C ATOM 1670 OG1 THR A 106 13.243 7.705 -12.126 1.00 11.41 O ATOM 1671 CG2 THR A 106 14.686 9.557 -12.447 1.00 32.13 C ATOM 0 H THR A 106 14.075 7.372 -8.717 1.00 21.43 H new ATOM 0 HA THR A 106 15.730 7.404 -11.146 1.00 0.34 H new ATOM 0 HB THR A 106 13.410 9.250 -10.740 1.00 21.42 H new ATOM 0 HG1 THR A 106 13.608 6.806 -11.989 1.00 11.41 H new ATOM 0 HG21 THR A 106 13.918 10.029 -13.060 1.00 32.13 H new ATOM 0 HG22 THR A 106 15.268 10.326 -11.938 1.00 32.13 H new ATOM 0 HG23 THR A 106 15.344 8.965 -13.083 1.00 32.13 H new ATOM 1679 N ASP A 107 16.965 9.365 -10.116 1.00 13.52 N ATOM 1680 CA ASP A 107 17.823 10.347 -9.448 1.00 40.33 C ATOM 1681 C ASP A 107 18.203 9.834 -8.051 1.00 12.52 C ATOM 1682 O ASP A 107 18.210 10.573 -7.067 1.00 0.13 O ATOM 1683 CB ASP A 107 17.135 11.725 -9.486 1.00 23.04 C ATOM 1684 CG ASP A 107 18.108 12.885 -9.296 1.00 40.41 C ATOM 1685 OD1 ASP A 107 18.963 13.086 -10.182 1.00 23.22 O ATOM 1686 OD2 ASP A 107 17.921 13.681 -8.351 1.00 44.44 O ATOM 0 H ASP A 107 17.352 9.030 -10.998 1.00 13.52 H new ATOM 0 HA ASP A 107 18.772 10.480 -9.967 1.00 40.33 H new ATOM 0 HB2 ASP A 107 16.621 11.842 -10.440 1.00 23.04 H new ATOM 0 HB3 ASP A 107 16.374 11.766 -8.707 1.00 23.04 H new ATOM 1691 N GLY A 108 18.405 8.509 -7.959 1.00 15.33 N ATOM 1692 CA GLY A 108 18.704 7.773 -6.742 1.00 0.52 C ATOM 1693 C GLY A 108 17.512 7.618 -5.797 1.00 22.05 C ATOM 1694 O GLY A 108 17.625 6.867 -4.828 1.00 61.43 O ATOM 0 H GLY A 108 18.360 7.902 -8.778 1.00 15.33 H new ATOM 0 HA2 GLY A 108 19.072 6.783 -7.010 1.00 0.52 H new ATOM 0 HA3 GLY A 108 19.510 8.280 -6.212 1.00 0.52 H new ATOM 1698 N LYS A 109 16.378 8.285 -6.045 1.00 55.11 N ATOM 1699 CA LYS A 109 15.265 8.323 -5.104 1.00 21.12 C ATOM 1700 C LYS A 109 14.261 7.266 -5.503 1.00 15.24 C ATOM 1701 O LYS A 109 13.786 7.262 -6.640 1.00 40.52 O ATOM 1702 CB LYS A 109 14.611 9.711 -5.099 1.00 31.11 C ATOM 1703 CG LYS A 109 15.575 10.778 -4.557 1.00 35.44 C ATOM 1704 CD LYS A 109 15.617 12.015 -5.454 1.00 72.20 C ATOM 1705 CE LYS A 109 16.798 12.877 -5.020 1.00 4.14 C ATOM 1706 NZ LYS A 109 16.962 14.061 -5.875 1.00 63.24 N ATOM 0 H LYS A 109 16.212 8.811 -6.903 1.00 55.11 H new ATOM 0 HA LYS A 109 15.629 8.124 -4.096 1.00 21.12 H new ATOM 0 HB2 LYS A 109 14.304 9.975 -6.111 1.00 31.11 H new ATOM 0 HB3 LYS A 109 13.709 9.688 -4.488 1.00 31.11 H new ATOM 0 HG2 LYS A 109 15.268 11.068 -3.552 1.00 35.44 H new ATOM 0 HG3 LYS A 109 16.576 10.355 -4.475 1.00 35.44 H new ATOM 0 HD2 LYS A 109 15.723 11.724 -6.499 1.00 72.20 H new ATOM 0 HD3 LYS A 109 14.686 12.576 -5.372 1.00 72.20 H new ATOM 0 HE2 LYS A 109 16.655 13.194 -3.987 1.00 4.14 H new ATOM 0 HE3 LYS A 109 17.710 12.281 -5.047 1.00 4.14 H new ATOM 0 HZ1 LYS A 109 17.733 14.653 -5.504 1.00 63.24 H new ATOM 0 HZ2 LYS A 109 17.192 13.760 -6.844 1.00 63.24 H new ATOM 0 HZ3 LYS A 109 16.078 14.609 -5.883 1.00 63.24 H new ATOM 1720 N TRP A 110 13.921 6.396 -4.556 1.00 71.01 N ATOM 1721 CA TRP A 110 12.720 5.587 -4.653 1.00 33.02 C ATOM 1722 C TRP A 110 11.494 6.469 -4.518 1.00 42.54 C ATOM 1723 O TRP A 110 11.494 7.401 -3.709 1.00 22.12 O ATOM 1724 CB TRP A 110 12.718 4.528 -3.545 1.00 73.24 C ATOM 1725 CG TRP A 110 13.628 3.394 -3.855 1.00 21.02 C ATOM 1726 CD1 TRP A 110 14.844 3.157 -3.319 1.00 41.10 C ATOM 1727 CD2 TRP A 110 13.441 2.396 -4.893 1.00 42.54 C ATOM 1728 NE1 TRP A 110 15.439 2.115 -3.991 1.00 61.43 N ATOM 1729 CE2 TRP A 110 14.605 1.584 -4.957 1.00 63.20 C ATOM 1730 CE3 TRP A 110 12.418 2.146 -5.828 1.00 1.42 C ATOM 1731 CZ2 TRP A 110 14.731 0.554 -5.900 1.00 41.21 C ATOM 1732 CZ3 TRP A 110 12.536 1.126 -6.784 1.00 0.54 C ATOM 1733 CH2 TRP A 110 13.676 0.320 -6.806 1.00 62.10 C ATOM 0 H TRP A 110 14.467 6.236 -3.710 1.00 71.01 H new ATOM 0 HA TRP A 110 12.700 5.092 -5.624 1.00 33.02 H new ATOM 0 HB2 TRP A 110 13.020 4.988 -2.604 1.00 73.24 H new ATOM 0 HB3 TRP A 110 11.705 4.152 -3.405 1.00 73.24 H new ATOM 0 HD1 TRP A 110 15.280 3.700 -2.493 1.00 41.10 H new ATOM 0 HE1 TRP A 110 16.382 1.775 -3.800 1.00 61.43 H new ATOM 0 HE3 TRP A 110 11.524 2.752 -5.809 1.00 1.42 H new ATOM 0 HZ2 TRP A 110 15.624 -0.052 -5.932 1.00 41.21 H new ATOM 0 HZ3 TRP A 110 11.746 0.964 -7.502 1.00 0.54 H new ATOM 0 HH2 TRP A 110 13.750 -0.487 -7.520 1.00 62.10 H new ATOM 1744 N TYR A 111 10.435 6.117 -5.236 1.00 32.21 N ATOM 1745 CA TYR A 111 9.113 6.670 -5.048 1.00 72.24 C ATOM 1746 C TYR A 111 8.103 5.560 -5.349 1.00 31.03 C ATOM 1747 O TYR A 111 8.262 4.792 -6.300 1.00 61.11 O ATOM 1748 CB TYR A 111 8.959 7.929 -5.920 1.00 22.13 C ATOM 1749 CG TYR A 111 9.398 7.782 -7.364 1.00 63.23 C ATOM 1750 CD1 TYR A 111 8.496 7.257 -8.298 1.00 61.10 C ATOM 1751 CD2 TYR A 111 10.675 8.198 -7.785 1.00 52.13 C ATOM 1752 CE1 TYR A 111 8.839 7.157 -9.654 1.00 21.33 C ATOM 1753 CE2 TYR A 111 11.037 8.078 -9.137 1.00 21.31 C ATOM 1754 CZ TYR A 111 10.128 7.535 -10.072 1.00 14.15 C ATOM 1755 OH TYR A 111 10.435 7.480 -11.391 1.00 33.02 O ATOM 0 H TYR A 111 10.480 5.422 -5.981 1.00 32.21 H new ATOM 0 HA TYR A 111 8.936 7.002 -4.025 1.00 72.24 H new ATOM 0 HB2 TYR A 111 7.912 8.233 -5.906 1.00 22.13 H new ATOM 0 HB3 TYR A 111 9.532 8.737 -5.465 1.00 22.13 H new ATOM 0 HD1 TYR A 111 7.522 6.924 -7.969 1.00 61.10 H new ATOM 0 HD2 TYR A 111 11.374 8.608 -7.071 1.00 52.13 H new ATOM 0 HE1 TYR A 111 8.119 6.793 -10.372 1.00 21.33 H new ATOM 0 HE2 TYR A 111 12.014 8.402 -9.463 1.00 21.31 H new ATOM 0 HH TYR A 111 11.404 7.569 -11.505 1.00 33.02 H new ATOM 1765 N VAL A 112 7.073 5.437 -4.513 1.00 62.32 N ATOM 1766 CA VAL A 112 5.942 4.556 -4.774 1.00 73.14 C ATOM 1767 C VAL A 112 5.058 5.273 -5.799 1.00 32.23 C ATOM 1768 O VAL A 112 4.894 6.492 -5.686 1.00 72.00 O ATOM 1769 CB VAL A 112 5.172 4.287 -3.460 1.00 64.14 C ATOM 1770 CG1 VAL A 112 4.242 3.089 -3.627 1.00 12.12 C ATOM 1771 CG2 VAL A 112 6.094 3.951 -2.275 1.00 42.50 C ATOM 0 H VAL A 112 7.002 5.948 -3.633 1.00 62.32 H new ATOM 0 HA VAL A 112 6.264 3.589 -5.161 1.00 73.14 H new ATOM 0 HB VAL A 112 4.630 5.209 -3.250 1.00 64.14 H new ATOM 0 HG11 VAL A 112 3.707 2.911 -2.694 1.00 12.12 H new ATOM 0 HG12 VAL A 112 3.526 3.292 -4.423 1.00 12.12 H new ATOM 0 HG13 VAL A 112 4.828 2.206 -3.883 1.00 12.12 H new ATOM 0 HG21 VAL A 112 5.492 3.773 -1.384 1.00 42.50 H new ATOM 0 HG22 VAL A 112 6.672 3.057 -2.506 1.00 42.50 H new ATOM 0 HG23 VAL A 112 6.772 4.785 -2.094 1.00 42.50 H new ATOM 1781 N THR A 113 4.487 4.557 -6.769 1.00 62.44 N ATOM 1782 CA THR A 113 3.633 5.140 -7.810 1.00 35.13 C ATOM 1783 C THR A 113 2.220 4.556 -7.830 1.00 74.24 C ATOM 1784 O THR A 113 1.343 5.087 -8.521 1.00 12.24 O ATOM 1785 CB THR A 113 4.310 4.996 -9.181 1.00 32.44 C ATOM 1786 OG1 THR A 113 4.693 3.659 -9.419 1.00 4.22 O ATOM 1787 CG2 THR A 113 5.577 5.832 -9.251 1.00 3.34 C ATOM 0 H THR A 113 4.604 3.548 -6.857 1.00 62.44 H new ATOM 0 HA THR A 113 3.513 6.197 -7.572 1.00 35.13 H new ATOM 0 HB THR A 113 3.583 5.328 -9.922 1.00 32.44 H new ATOM 0 HG1 THR A 113 5.354 3.632 -10.142 1.00 4.22 H new ATOM 0 HG21 THR A 113 6.038 5.713 -10.232 1.00 3.34 H new ATOM 0 HG22 THR A 113 5.330 6.881 -9.091 1.00 3.34 H new ATOM 0 HG23 THR A 113 6.274 5.502 -8.480 1.00 3.34 H new ATOM 1795 N ASP A 114 1.974 3.492 -7.063 1.00 54.23 N ATOM 1796 CA ASP A 114 0.717 2.764 -7.110 1.00 63.22 C ATOM 1797 C ASP A 114 0.358 2.233 -5.729 1.00 23.33 C ATOM 1798 O ASP A 114 1.232 2.130 -4.857 1.00 54.44 O ATOM 1799 CB ASP A 114 0.856 1.607 -8.096 1.00 42.53 C ATOM 1800 CG ASP A 114 -0.527 1.207 -8.553 1.00 52.43 C ATOM 1801 OD1 ASP A 114 -1.101 1.955 -9.368 1.00 24.22 O ATOM 1802 OD2 ASP A 114 -1.113 0.259 -7.988 1.00 42.34 O ATOM 0 H ASP A 114 2.645 3.115 -6.393 1.00 54.23 H new ATOM 0 HA ASP A 114 -0.079 3.434 -7.435 1.00 63.22 H new ATOM 0 HB2 ASP A 114 1.466 1.905 -8.948 1.00 42.53 H new ATOM 0 HB3 ASP A 114 1.359 0.763 -7.623 1.00 42.53 H new ATOM 1807 N CYS A 115 -0.909 1.893 -5.506 1.00 15.23 N ATOM 1808 CA CYS A 115 -1.358 1.269 -4.280 1.00 40.42 C ATOM 1809 C CYS A 115 -2.662 0.532 -4.545 1.00 31.15 C ATOM 1810 O CYS A 115 -3.595 1.081 -5.130 1.00 51.50 O ATOM 1811 CB CYS A 115 -1.555 2.354 -3.214 1.00 41.53 C ATOM 1812 SG CYS A 115 -2.180 1.711 -1.638 1.00 14.44 S ATOM 0 H CYS A 115 -1.655 2.048 -6.184 1.00 15.23 H new ATOM 0 HA CYS A 115 -0.618 0.553 -3.923 1.00 40.42 H new ATOM 0 HB2 CYS A 115 -0.605 2.859 -3.040 1.00 41.53 H new ATOM 0 HB3 CYS A 115 -2.250 3.103 -3.593 1.00 41.53 H new ATOM 0 HG CYS A 115 -3.367 2.191 -1.414 1.00 14.44 H new ATOM 1818 N TYR A 116 -2.723 -0.679 -4.012 1.00 53.40 N ATOM 1819 CA TYR A 116 -3.899 -1.497 -3.798 1.00 55.24 C ATOM 1820 C TYR A 116 -3.835 -1.818 -2.308 1.00 43.13 C ATOM 1821 O TYR A 116 -2.769 -2.245 -1.850 1.00 64.31 O ATOM 1822 CB TYR A 116 -3.749 -2.741 -4.673 1.00 31.02 C ATOM 1823 CG TYR A 116 -5.014 -3.452 -5.069 1.00 71.14 C ATOM 1824 CD1 TYR A 116 -5.854 -4.030 -4.101 1.00 55.42 C ATOM 1825 CD2 TYR A 116 -5.298 -3.604 -6.437 1.00 1.01 C ATOM 1826 CE1 TYR A 116 -6.979 -4.771 -4.502 1.00 64.14 C ATOM 1827 CE2 TYR A 116 -6.423 -4.333 -6.850 1.00 24.25 C ATOM 1828 CZ TYR A 116 -7.251 -4.933 -5.880 1.00 75.10 C ATOM 1829 OH TYR A 116 -8.345 -5.634 -6.264 1.00 22.42 O ATOM 0 H TYR A 116 -1.877 -1.151 -3.692 1.00 53.40 H new ATOM 0 HA TYR A 116 -4.853 -1.036 -4.055 1.00 55.24 H new ATOM 0 HB2 TYR A 116 -3.222 -2.454 -5.583 1.00 31.02 H new ATOM 0 HB3 TYR A 116 -3.112 -3.451 -4.146 1.00 31.02 H new ATOM 0 HD1 TYR A 116 -5.635 -3.905 -3.051 1.00 55.42 H new ATOM 0 HD2 TYR A 116 -4.647 -3.157 -7.174 1.00 1.01 H new ATOM 0 HE1 TYR A 116 -7.631 -5.213 -3.763 1.00 64.14 H new ATOM 0 HE2 TYR A 116 -6.652 -4.433 -7.901 1.00 24.25 H new ATOM 0 HH TYR A 116 -8.394 -5.654 -7.243 1.00 22.42 H new ATOM 1839 N ASN A 117 -4.887 -1.545 -1.538 1.00 32.04 N ATOM 1840 CA ASN A 117 -4.921 -1.811 -0.096 1.00 2.44 C ATOM 1841 C ASN A 117 -6.343 -2.203 0.280 1.00 40.43 C ATOM 1842 O ASN A 117 -7.293 -1.639 -0.273 1.00 40.44 O ATOM 1843 CB ASN A 117 -4.484 -0.569 0.706 1.00 23.32 C ATOM 1844 CG ASN A 117 -4.167 -0.878 2.175 1.00 44.32 C ATOM 1845 OD1 ASN A 117 -4.367 -1.981 2.663 1.00 72.03 O ATOM 1846 ND2 ASN A 117 -3.656 0.097 2.912 1.00 34.41 N ATOM 0 H ASN A 117 -5.747 -1.130 -1.897 1.00 32.04 H new ATOM 0 HA ASN A 117 -4.227 -2.617 0.143 1.00 2.44 H new ATOM 0 HB2 ASN A 117 -3.603 -0.132 0.235 1.00 23.32 H new ATOM 0 HB3 ASN A 117 -5.274 0.181 0.662 1.00 23.32 H new ATOM 0 HD21 ASN A 117 -3.427 -0.071 3.892 1.00 34.41 H new ATOM 0 HD22 ASN A 117 -3.491 1.015 2.500 1.00 34.41 H new ATOM 1853 N ASP A 118 -6.507 -3.143 1.205 1.00 33.13 N ATOM 1854 CA ASP A 118 -7.792 -3.725 1.560 1.00 32.14 C ATOM 1855 C ASP A 118 -8.790 -2.704 2.111 1.00 60.03 C ATOM 1856 O ASP A 118 -9.980 -2.906 1.906 1.00 32.12 O ATOM 1857 CB ASP A 118 -7.627 -4.937 2.484 1.00 23.34 C ATOM 1858 CG ASP A 118 -7.098 -4.629 3.888 1.00 53.50 C ATOM 1859 OD1 ASP A 118 -7.631 -3.750 4.605 1.00 32.23 O ATOM 1860 OD2 ASP A 118 -6.110 -5.298 4.263 1.00 24.22 O ATOM 0 H ASP A 118 -5.729 -3.529 1.740 1.00 33.13 H new ATOM 0 HA ASP A 118 -8.231 -4.083 0.629 1.00 32.14 H new ATOM 0 HB2 ASP A 118 -8.593 -5.433 2.579 1.00 23.34 H new ATOM 0 HB3 ASP A 118 -6.950 -5.646 2.007 1.00 23.34 H new ATOM 1865 N TRP A 119 -8.344 -1.565 2.659 1.00 61.03 N ATOM 1866 CA TRP A 119 -9.218 -0.491 3.154 1.00 3.23 C ATOM 1867 C TRP A 119 -10.239 0.014 2.146 1.00 73.34 C ATOM 1868 O TRP A 119 -11.257 0.552 2.562 1.00 13.21 O ATOM 1869 CB TRP A 119 -8.387 0.725 3.570 1.00 31.05 C ATOM 1870 CG TRP A 119 -8.084 0.873 5.019 1.00 63.43 C ATOM 1871 CD1 TRP A 119 -6.844 0.933 5.540 1.00 71.41 C ATOM 1872 CD2 TRP A 119 -9.007 1.067 6.135 1.00 62.30 C ATOM 1873 NE1 TRP A 119 -6.928 1.232 6.882 1.00 4.41 N ATOM 1874 CE2 TRP A 119 -8.236 1.338 7.302 1.00 61.42 C ATOM 1875 CE3 TRP A 119 -10.413 1.069 6.281 1.00 4.24 C ATOM 1876 CZ2 TRP A 119 -8.827 1.647 8.534 1.00 34.23 C ATOM 1877 CZ3 TRP A 119 -11.016 1.355 7.525 1.00 75.04 C ATOM 1878 CH2 TRP A 119 -10.226 1.663 8.646 1.00 0.14 C ATOM 0 H TRP A 119 -7.351 -1.360 2.773 1.00 61.03 H new ATOM 0 HA TRP A 119 -9.752 -0.945 3.988 1.00 3.23 H new ATOM 0 HB2 TRP A 119 -7.442 0.691 3.028 1.00 31.05 H new ATOM 0 HB3 TRP A 119 -8.911 1.622 3.240 1.00 31.05 H new ATOM 0 HD1 TRP A 119 -5.927 0.772 4.992 1.00 71.41 H new ATOM 0 HE1 TRP A 119 -6.120 1.359 7.491 1.00 4.41 H new ATOM 0 HE3 TRP A 119 -11.036 0.848 5.427 1.00 4.24 H new ATOM 0 HZ2 TRP A 119 -8.210 1.871 9.392 1.00 34.23 H new ATOM 0 HZ3 TRP A 119 -12.092 1.337 7.616 1.00 75.04 H new ATOM 0 HH2 TRP A 119 -10.693 1.911 9.588 1.00 0.14 H new ATOM 1889 N TYR A 120 -9.986 -0.118 0.846 1.00 60.43 N ATOM 1890 CA TYR A 120 -10.884 0.334 -0.218 1.00 44.42 C ATOM 1891 C TYR A 120 -10.981 -0.789 -1.251 1.00 24.35 C ATOM 1892 O TYR A 120 -10.501 -0.649 -2.383 1.00 21.52 O ATOM 1893 CB TYR A 120 -10.349 1.641 -0.821 1.00 3.14 C ATOM 1894 CG TYR A 120 -9.962 2.742 0.153 1.00 71.11 C ATOM 1895 CD1 TYR A 120 -10.934 3.558 0.781 1.00 24.04 C ATOM 1896 CD2 TYR A 120 -8.591 2.948 0.408 1.00 55.25 C ATOM 1897 CE1 TYR A 120 -10.514 4.598 1.643 1.00 73.24 C ATOM 1898 CE2 TYR A 120 -8.182 3.969 1.273 1.00 24.02 C ATOM 1899 CZ TYR A 120 -9.144 4.790 1.896 1.00 4.41 C ATOM 1900 OH TYR A 120 -8.758 5.797 2.720 1.00 3.40 O ATOM 0 H TYR A 120 -9.133 -0.552 0.494 1.00 60.43 H new ATOM 0 HA TYR A 120 -11.883 0.548 0.162 1.00 44.42 H new ATOM 0 HB2 TYR A 120 -9.475 1.402 -1.427 1.00 3.14 H new ATOM 0 HB3 TYR A 120 -11.107 2.037 -1.497 1.00 3.14 H new ATOM 0 HD1 TYR A 120 -11.986 3.388 0.604 1.00 24.04 H new ATOM 0 HD2 TYR A 120 -7.854 2.316 -0.066 1.00 55.25 H new ATOM 0 HE1 TYR A 120 -11.245 5.244 2.106 1.00 73.24 H new ATOM 0 HE2 TYR A 120 -7.131 4.128 1.463 1.00 24.02 H new ATOM 0 HH TYR A 120 -7.786 5.911 2.664 1.00 3.40 H new ATOM 1910 N ASN A 121 -11.506 -1.943 -0.836 1.00 43.20 N ATOM 1911 CA ASN A 121 -11.657 -3.116 -1.694 1.00 73.41 C ATOM 1912 C ASN A 121 -13.091 -3.217 -2.229 1.00 62.10 C ATOM 1913 O ASN A 121 -13.888 -2.287 -2.099 1.00 13.32 O ATOM 1914 CB ASN A 121 -11.166 -4.393 -0.985 1.00 11.23 C ATOM 1915 CG ASN A 121 -12.170 -5.014 -0.019 1.00 40.14 C ATOM 1916 OD1 ASN A 121 -12.985 -5.830 -0.426 1.00 12.23 O ATOM 1917 ND2 ASN A 121 -12.098 -4.695 1.258 1.00 11.43 N ATOM 0 H ASN A 121 -11.842 -2.090 0.116 1.00 43.20 H new ATOM 0 HA ASN A 121 -11.015 -3.001 -2.568 1.00 73.41 H new ATOM 0 HB2 ASN A 121 -10.904 -5.134 -1.741 1.00 11.23 H new ATOM 0 HB3 ASN A 121 -10.253 -4.160 -0.438 1.00 11.23 H new ATOM 0 HD21 ASN A 121 -12.730 -5.132 1.929 1.00 11.43 H new ATOM 0 HD22 ASN A 121 -11.410 -4.012 1.575 1.00 11.43 H new ATOM 1924 N PHE A 122 -13.399 -4.334 -2.890 1.00 34.14 N ATOM 1925 CA PHE A 122 -14.705 -4.641 -3.464 1.00 43.01 C ATOM 1926 C PHE A 122 -15.841 -4.495 -2.457 1.00 1.43 C ATOM 1927 O PHE A 122 -16.928 -4.020 -2.796 1.00 13.41 O ATOM 1928 CB PHE A 122 -14.674 -6.087 -4.002 1.00 11.21 C ATOM 1929 CG PHE A 122 -14.803 -6.229 -5.503 1.00 4.22 C ATOM 1930 CD1 PHE A 122 -13.819 -5.714 -6.364 1.00 14.34 C ATOM 1931 CD2 PHE A 122 -15.904 -6.904 -6.047 1.00 41.00 C ATOM 1932 CE1 PHE A 122 -13.935 -5.871 -7.757 1.00 32.13 C ATOM 1933 CE2 PHE A 122 -16.004 -7.097 -7.431 1.00 2.43 C ATOM 1934 CZ PHE A 122 -15.022 -6.581 -8.288 1.00 41.12 C ATOM 0 H PHE A 122 -12.717 -5.077 -3.045 1.00 34.14 H new ATOM 0 HA PHE A 122 -14.898 -3.926 -4.263 1.00 43.01 H new ATOM 0 HB2 PHE A 122 -13.739 -6.552 -3.690 1.00 11.21 H new ATOM 0 HB3 PHE A 122 -15.481 -6.648 -3.531 1.00 11.21 H new ATOM 0 HD1 PHE A 122 -12.967 -5.193 -5.953 1.00 14.34 H new ATOM 0 HD2 PHE A 122 -16.680 -7.278 -5.395 1.00 41.00 H new ATOM 0 HE1 PHE A 122 -13.191 -5.447 -8.415 1.00 32.13 H new ATOM 0 HE2 PHE A 122 -16.840 -7.645 -7.839 1.00 2.43 H new ATOM 0 HZ PHE A 122 -15.102 -6.730 -9.355 1.00 41.12 H new ATOM 1944 N ASP A 123 -15.592 -4.903 -1.222 1.00 22.33 N ATOM 1945 CA ASP A 123 -16.585 -4.991 -0.167 1.00 2.15 C ATOM 1946 C ASP A 123 -16.880 -3.612 0.454 1.00 64.14 C ATOM 1947 O ASP A 123 -17.288 -3.555 1.613 1.00 35.13 O ATOM 1948 CB ASP A 123 -16.094 -6.037 0.858 1.00 4.31 C ATOM 1949 CG ASP A 123 -17.213 -6.781 1.591 1.00 54.30 C ATOM 1950 OD1 ASP A 123 -18.412 -6.600 1.283 1.00 15.32 O ATOM 1951 OD2 ASP A 123 -16.891 -7.668 2.415 1.00 32.54 O ATOM 0 H ASP A 123 -14.662 -5.191 -0.919 1.00 22.33 H new ATOM 0 HA ASP A 123 -17.543 -5.320 -0.569 1.00 2.15 H new ATOM 0 HB2 ASP A 123 -15.467 -6.765 0.343 1.00 4.31 H new ATOM 0 HB3 ASP A 123 -15.464 -5.538 1.594 1.00 4.31 H new ATOM 1956 N LEU A 124 -16.638 -2.491 -0.261 1.00 4.22 N ATOM 1957 CA LEU A 124 -16.784 -1.143 0.281 1.00 75.13 C ATOM 1958 C LEU A 124 -17.707 -0.278 -0.588 1.00 20.10 C ATOM 1959 O LEU A 124 -17.210 0.403 -1.490 1.00 32.32 O ATOM 1960 CB LEU A 124 -15.412 -0.538 0.571 1.00 24.21 C ATOM 1961 CG LEU A 124 -15.417 0.905 1.110 1.00 51.35 C ATOM 1962 CD1 LEU A 124 -16.655 1.323 1.913 1.00 12.30 C ATOM 1963 CD2 LEU A 124 -14.240 1.117 2.028 1.00 42.02 C ATOM 0 H LEU A 124 -16.335 -2.508 -1.235 1.00 4.22 H new ATOM 0 HA LEU A 124 -17.295 -1.190 1.243 1.00 75.13 H new ATOM 0 HB2 LEU A 124 -14.901 -1.174 1.293 1.00 24.21 H new ATOM 0 HB3 LEU A 124 -14.824 -0.561 -0.347 1.00 24.21 H new ATOM 0 HG LEU A 124 -15.390 1.511 0.204 1.00 51.35 H new ATOM 0 HD11 LEU A 124 -16.545 2.357 2.240 1.00 12.30 H new ATOM 0 HD12 LEU A 124 -17.542 1.233 1.287 1.00 12.30 H new ATOM 0 HD13 LEU A 124 -16.759 0.676 2.784 1.00 12.30 H new ATOM 0 HD21 LEU A 124 -14.252 2.140 2.404 1.00 42.02 H new ATOM 0 HD22 LEU A 124 -14.302 0.422 2.865 1.00 42.02 H new ATOM 0 HD23 LEU A 124 -13.315 0.943 1.479 1.00 42.02 H new ATOM 1975 N PRO A 125 -19.036 -0.317 -0.370 1.00 0.21 N ATOM 1976 CA PRO A 125 -20.000 0.483 -1.117 1.00 4.12 C ATOM 1977 C PRO A 125 -19.729 1.992 -0.973 1.00 23.42 C ATOM 1978 O PRO A 125 -19.405 2.468 0.117 1.00 64.42 O ATOM 1979 CB PRO A 125 -21.371 0.083 -0.585 1.00 34.13 C ATOM 1980 CG PRO A 125 -21.104 -0.460 0.810 1.00 4.33 C ATOM 1981 CD PRO A 125 -19.708 -1.056 0.690 1.00 24.21 C ATOM 0 HA PRO A 125 -19.930 0.293 -2.188 1.00 4.12 H new ATOM 0 HB2 PRO A 125 -22.048 0.937 -0.554 1.00 34.13 H new ATOM 0 HB3 PRO A 125 -21.837 -0.670 -1.220 1.00 34.13 H new ATOM 0 HG2 PRO A 125 -21.142 0.327 1.563 1.00 4.33 H new ATOM 0 HG3 PRO A 125 -21.839 -1.212 1.097 1.00 4.33 H new ATOM 0 HD2 PRO A 125 -19.165 -0.966 1.631 1.00 24.21 H new ATOM 0 HD3 PRO A 125 -19.758 -2.118 0.451 1.00 24.21 H new ATOM 1989 N ILE A 126 -19.913 2.771 -2.047 1.00 53.32 N ATOM 1990 CA ILE A 126 -19.562 4.194 -2.113 1.00 41.05 C ATOM 1991 C ILE A 126 -20.221 4.972 -0.950 1.00 13.13 C ATOM 1992 O ILE A 126 -19.657 5.947 -0.443 1.00 63.12 O ATOM 1993 CB ILE A 126 -19.957 4.814 -3.485 1.00 1.20 C ATOM 1994 CG1 ILE A 126 -19.329 4.088 -4.698 1.00 63.55 C ATOM 1995 CG2 ILE A 126 -19.535 6.293 -3.590 1.00 52.15 C ATOM 1996 CD1 ILE A 126 -20.338 3.275 -5.504 1.00 40.04 C ATOM 0 H ILE A 126 -20.320 2.420 -2.914 1.00 53.32 H new ATOM 0 HA ILE A 126 -18.480 4.275 -2.013 1.00 41.05 H new ATOM 0 HB ILE A 126 -21.041 4.707 -3.519 1.00 1.20 H new ATOM 0 HG12 ILE A 126 -18.862 4.825 -5.351 1.00 63.55 H new ATOM 0 HG13 ILE A 126 -18.537 3.426 -4.347 1.00 63.55 H new ATOM 0 HG21 ILE A 126 -19.829 6.687 -4.563 1.00 52.15 H new ATOM 0 HG22 ILE A 126 -20.023 6.867 -2.803 1.00 52.15 H new ATOM 0 HG23 ILE A 126 -18.454 6.372 -3.479 1.00 52.15 H new ATOM 0 HD11 ILE A 126 -19.832 2.792 -6.340 1.00 40.04 H new ATOM 0 HD12 ILE A 126 -20.788 2.516 -4.864 1.00 40.04 H new ATOM 0 HD13 ILE A 126 -21.117 3.936 -5.885 1.00 40.04 H new ATOM 2008 N ASN A 127 -21.412 4.550 -0.511 1.00 51.25 N ATOM 2009 CA ASN A 127 -22.164 5.189 0.572 1.00 0.42 C ATOM 2010 C ASN A 127 -21.516 5.061 1.951 1.00 60.54 C ATOM 2011 O ASN A 127 -21.804 5.881 2.817 1.00 73.51 O ATOM 2012 CB ASN A 127 -23.605 4.675 0.612 1.00 75.31 C ATOM 2013 CG ASN A 127 -23.739 3.186 0.877 1.00 51.24 C ATOM 2014 OD1 ASN A 127 -23.895 2.410 -0.061 1.00 72.42 O ATOM 2015 ND2 ASN A 127 -23.699 2.758 2.124 1.00 42.11 N ATOM 0 H ASN A 127 -21.888 3.739 -0.907 1.00 51.25 H new ATOM 0 HA ASN A 127 -22.158 6.253 0.337 1.00 0.42 H new ATOM 0 HB2 ASN A 127 -24.149 5.218 1.385 1.00 75.31 H new ATOM 0 HB3 ASN A 127 -24.086 4.906 -0.339 1.00 75.31 H new ATOM 0 HD21 ASN A 127 -23.799 1.763 2.325 1.00 42.11 H new ATOM 0 HD22 ASN A 127 -23.568 3.422 2.887 1.00 42.11 H new ATOM 2022 N GLU A 128 -20.649 4.074 2.164 1.00 54.23 N ATOM 2023 CA GLU A 128 -19.858 3.922 3.399 1.00 1.32 C ATOM 2024 C GLU A 128 -18.404 4.375 3.190 1.00 35.13 C ATOM 2025 O GLU A 128 -17.646 4.567 4.142 1.00 44.35 O ATOM 2026 CB GLU A 128 -19.900 2.464 3.893 1.00 34.24 C ATOM 2027 CG GLU A 128 -21.195 2.092 4.640 1.00 21.14 C ATOM 2028 CD GLU A 128 -21.447 2.873 5.940 1.00 63.24 C ATOM 2029 OE1 GLU A 128 -20.473 3.269 6.615 1.00 13.34 O ATOM 2030 OE2 GLU A 128 -22.638 3.064 6.297 1.00 14.14 O ATOM 0 H GLU A 128 -20.468 3.342 1.477 1.00 54.23 H new ATOM 0 HA GLU A 128 -20.304 4.562 4.160 1.00 1.32 H new ATOM 0 HB2 GLU A 128 -19.782 1.798 3.038 1.00 34.24 H new ATOM 0 HB3 GLU A 128 -19.050 2.290 4.552 1.00 34.24 H new ATOM 0 HG2 GLU A 128 -22.040 2.250 3.970 1.00 21.14 H new ATOM 0 HG3 GLU A 128 -21.168 1.028 4.874 1.00 21.14 H new ATOM 2037 N LEU A 129 -17.987 4.593 1.943 1.00 0.04 N ATOM 2038 CA LEU A 129 -16.626 4.988 1.599 1.00 4.24 C ATOM 2039 C LEU A 129 -16.245 6.284 2.302 1.00 14.02 C ATOM 2040 O LEU A 129 -15.161 6.400 2.866 1.00 4.42 O ATOM 2041 CB LEU A 129 -16.546 5.092 0.076 1.00 75.33 C ATOM 2042 CG LEU A 129 -15.126 5.294 -0.462 1.00 52.02 C ATOM 2043 CD1 LEU A 129 -15.155 5.003 -1.969 1.00 51.22 C ATOM 2044 CD2 LEU A 129 -14.611 6.712 -0.293 1.00 64.52 C ATOM 0 H LEU A 129 -18.598 4.498 1.132 1.00 0.04 H new ATOM 0 HA LEU A 129 -15.904 4.246 1.941 1.00 4.24 H new ATOM 0 HB2 LEU A 129 -16.964 4.186 -0.362 1.00 75.33 H new ATOM 0 HB3 LEU A 129 -17.170 5.922 -0.254 1.00 75.33 H new ATOM 0 HG LEU A 129 -14.469 4.630 0.100 1.00 52.02 H new ATOM 0 HD11 LEU A 129 -14.157 5.138 -2.385 1.00 51.22 H new ATOM 0 HD12 LEU A 129 -15.482 3.976 -2.135 1.00 51.22 H new ATOM 0 HD13 LEU A 129 -15.848 5.688 -2.459 1.00 51.22 H new ATOM 0 HD21 LEU A 129 -13.601 6.783 -0.696 1.00 64.52 H new ATOM 0 HD22 LEU A 129 -15.264 7.402 -0.828 1.00 64.52 H new ATOM 0 HD23 LEU A 129 -14.599 6.971 0.766 1.00 64.52 H new ATOM 2056 N GLU A 130 -17.129 7.271 2.262 1.00 31.52 N ATOM 2057 CA GLU A 130 -16.855 8.615 2.753 1.00 32.44 C ATOM 2058 C GLU A 130 -16.790 8.658 4.285 1.00 20.53 C ATOM 2059 O GLU A 130 -16.213 9.595 4.835 1.00 21.11 O ATOM 2060 CB GLU A 130 -17.943 9.539 2.196 1.00 63.12 C ATOM 2061 CG GLU A 130 -17.853 9.594 0.658 1.00 24.11 C ATOM 2062 CD GLU A 130 -18.986 10.380 0.003 1.00 24.30 C ATOM 2063 OE1 GLU A 130 -20.170 10.135 0.329 1.00 0.21 O ATOM 2064 OE2 GLU A 130 -18.696 11.173 -0.924 1.00 53.01 O ATOM 0 H GLU A 130 -18.069 7.160 1.883 1.00 31.52 H new ATOM 0 HA GLU A 130 -15.875 8.949 2.412 1.00 32.44 H new ATOM 0 HB2 GLU A 130 -18.927 9.179 2.498 1.00 63.12 H new ATOM 0 HB3 GLU A 130 -17.829 10.540 2.611 1.00 63.12 H new ATOM 0 HG2 GLU A 130 -16.901 10.043 0.375 1.00 24.11 H new ATOM 0 HG3 GLU A 130 -17.855 8.577 0.266 1.00 24.11 H new ATOM 2071 N GLU A 131 -17.321 7.639 4.962 1.00 11.33 N ATOM 2072 CA GLU A 131 -17.081 7.333 6.370 1.00 32.33 C ATOM 2073 C GLU A 131 -15.737 6.612 6.516 1.00 33.00 C ATOM 2074 O GLU A 131 -14.948 6.953 7.389 1.00 60.35 O ATOM 2075 CB GLU A 131 -18.236 6.434 6.860 1.00 35.11 C ATOM 2076 CG GLU A 131 -18.365 6.349 8.386 1.00 53.52 C ATOM 2077 CD GLU A 131 -19.033 7.572 9.026 1.00 73.14 C ATOM 2078 OE1 GLU A 131 -19.512 8.483 8.315 1.00 55.11 O ATOM 2079 OE2 GLU A 131 -19.119 7.624 10.276 1.00 12.53 O ATOM 0 H GLU A 131 -17.959 6.975 4.522 1.00 11.33 H new ATOM 0 HA GLU A 131 -17.043 8.245 6.966 1.00 32.33 H new ATOM 0 HB2 GLU A 131 -19.173 6.809 6.448 1.00 35.11 H new ATOM 0 HB3 GLU A 131 -18.093 5.429 6.463 1.00 35.11 H new ATOM 0 HG2 GLU A 131 -18.939 5.459 8.642 1.00 53.52 H new ATOM 0 HG3 GLU A 131 -17.372 6.223 8.818 1.00 53.52 H new ATOM 2086 N THR A 132 -15.428 5.664 5.630 1.00 34.30 N ATOM 2087 CA THR A 132 -14.245 4.823 5.738 1.00 54.15 C ATOM 2088 C THR A 132 -12.986 5.672 5.679 1.00 52.43 C ATOM 2089 O THR A 132 -12.079 5.479 6.476 1.00 31.14 O ATOM 2090 CB THR A 132 -14.237 3.771 4.627 1.00 44.13 C ATOM 2091 OG1 THR A 132 -15.417 3.003 4.691 1.00 32.30 O ATOM 2092 CG2 THR A 132 -12.996 2.880 4.748 1.00 51.11 C ATOM 0 H THR A 132 -16.000 5.460 4.811 1.00 34.30 H new ATOM 0 HA THR A 132 -14.269 4.309 6.699 1.00 54.15 H new ATOM 0 HB THR A 132 -14.200 4.270 3.659 1.00 44.13 H new ATOM 0 HG1 THR A 132 -16.181 3.553 4.419 1.00 32.30 H new ATOM 0 HG21 THR A 132 -13.003 2.136 3.951 1.00 51.11 H new ATOM 0 HG22 THR A 132 -12.099 3.493 4.664 1.00 51.11 H new ATOM 0 HG23 THR A 132 -13.002 2.376 5.715 1.00 51.11 H new ATOM 2100 N ILE A 133 -12.922 6.643 4.766 1.00 22.12 N ATOM 2101 CA ILE A 133 -11.788 7.558 4.703 1.00 64.33 C ATOM 2102 C ILE A 133 -11.549 8.217 6.073 1.00 44.22 C ATOM 2103 O ILE A 133 -10.393 8.361 6.478 1.00 15.42 O ATOM 2104 CB ILE A 133 -11.994 8.603 3.590 1.00 12.20 C ATOM 2105 CG1 ILE A 133 -12.128 7.946 2.206 1.00 63.25 C ATOM 2106 CG2 ILE A 133 -10.779 9.533 3.556 1.00 1.43 C ATOM 2107 CD1 ILE A 133 -12.635 8.912 1.128 1.00 14.42 C ATOM 0 H ILE A 133 -13.641 6.813 4.063 1.00 22.12 H new ATOM 0 HA ILE A 133 -10.892 6.990 4.453 1.00 64.33 H new ATOM 0 HB ILE A 133 -12.913 9.147 3.808 1.00 12.20 H new ATOM 0 HG12 ILE A 133 -11.159 7.549 1.903 1.00 63.25 H new ATOM 0 HG13 ILE A 133 -12.811 7.099 2.277 1.00 63.25 H new ATOM 0 HG21 ILE A 133 -10.913 10.278 2.772 1.00 1.43 H new ATOM 0 HG22 ILE A 133 -10.677 10.034 4.519 1.00 1.43 H new ATOM 0 HG23 ILE A 133 -9.880 8.950 3.354 1.00 1.43 H new ATOM 0 HD11 ILE A 133 -12.708 8.388 0.175 1.00 14.42 H new ATOM 0 HD12 ILE A 133 -13.618 9.289 1.411 1.00 14.42 H new ATOM 0 HD13 ILE A 133 -11.940 9.746 1.031 1.00 14.42 H new ATOM 2119 N GLN A 134 -12.609 8.625 6.780 1.00 72.25 N ATOM 2120 CA GLN A 134 -12.479 9.206 8.110 1.00 22.02 C ATOM 2121 C GLN A 134 -11.873 8.171 9.060 1.00 1.53 C ATOM 2122 O GLN A 134 -10.915 8.494 9.765 1.00 34.42 O ATOM 2123 CB GLN A 134 -13.845 9.716 8.615 1.00 44.44 C ATOM 2124 CG GLN A 134 -14.587 10.633 7.632 1.00 42.43 C ATOM 2125 CD GLN A 134 -13.951 12.010 7.462 1.00 35.30 C ATOM 2126 OE1 GLN A 134 -14.455 13.010 7.962 1.00 12.30 O ATOM 2127 NE2 GLN A 134 -12.865 12.099 6.715 1.00 51.23 N ATOM 0 H GLN A 134 -13.570 8.560 6.445 1.00 72.25 H new ATOM 0 HA GLN A 134 -11.811 10.066 8.069 1.00 22.02 H new ATOM 0 HB2 GLN A 134 -14.478 8.858 8.840 1.00 44.44 H new ATOM 0 HB3 GLN A 134 -13.694 10.254 9.551 1.00 44.44 H new ATOM 0 HG2 GLN A 134 -14.633 10.143 6.659 1.00 42.43 H new ATOM 0 HG3 GLN A 134 -15.614 10.759 7.974 1.00 42.43 H new ATOM 0 HE21 GLN A 134 -12.457 11.258 6.306 1.00 51.23 H new ATOM 0 HE22 GLN A 134 -12.434 13.008 6.547 1.00 51.23 H new ATOM 2136 N ALA A 135 -12.380 6.933 9.021 1.00 42.55 N ATOM 2137 CA ALA A 135 -11.909 5.837 9.863 1.00 1.43 C ATOM 2138 C ALA A 135 -10.440 5.490 9.586 1.00 15.34 C ATOM 2139 O ALA A 135 -9.704 5.133 10.502 1.00 1.53 O ATOM 2140 CB ALA A 135 -12.797 4.607 9.658 1.00 4.13 C ATOM 0 H ALA A 135 -13.139 6.665 8.394 1.00 42.55 H new ATOM 0 HA ALA A 135 -11.973 6.162 10.901 1.00 1.43 H new ATOM 0 HB1 ALA A 135 -12.441 3.792 10.289 1.00 4.13 H new ATOM 0 HB2 ALA A 135 -13.825 4.851 9.926 1.00 4.13 H new ATOM 0 HB3 ALA A 135 -12.758 4.300 8.613 1.00 4.13 H new ATOM 2146 N VAL A 136 -9.980 5.611 8.341 1.00 22.41 N ATOM 2147 CA VAL A 136 -8.582 5.384 8.002 1.00 31.24 C ATOM 2148 C VAL A 136 -7.728 6.411 8.750 1.00 53.31 C ATOM 2149 O VAL A 136 -6.748 6.046 9.407 1.00 2.10 O ATOM 2150 CB VAL A 136 -8.379 5.435 6.471 1.00 52.23 C ATOM 2151 CG1 VAL A 136 -6.912 5.185 6.109 1.00 64.43 C ATOM 2152 CG2 VAL A 136 -9.256 4.419 5.714 1.00 12.54 C ATOM 0 H VAL A 136 -10.565 5.868 7.546 1.00 22.41 H new ATOM 0 HA VAL A 136 -8.268 4.388 8.314 1.00 31.24 H new ATOM 0 HB VAL A 136 -8.680 6.436 6.163 1.00 52.23 H new ATOM 0 HG11 VAL A 136 -6.792 5.225 5.026 1.00 64.43 H new ATOM 0 HG12 VAL A 136 -6.288 5.949 6.572 1.00 64.43 H new ATOM 0 HG13 VAL A 136 -6.610 4.202 6.471 1.00 64.43 H new ATOM 0 HG21 VAL A 136 -9.069 4.503 4.644 1.00 12.54 H new ATOM 0 HG22 VAL A 136 -9.013 3.410 6.047 1.00 12.54 H new ATOM 0 HG23 VAL A 136 -10.307 4.624 5.916 1.00 12.54 H new ATOM 2162 N GLN A 137 -8.074 7.702 8.657 1.00 24.23 N ATOM 2163 CA GLN A 137 -7.244 8.746 9.244 1.00 53.44 C ATOM 2164 C GLN A 137 -7.175 8.640 10.777 1.00 3.10 C ATOM 2165 O GLN A 137 -6.203 9.145 11.339 1.00 42.54 O ATOM 2166 CB GLN A 137 -7.714 10.148 8.817 1.00 62.03 C ATOM 2167 CG GLN A 137 -7.626 10.458 7.309 1.00 12.20 C ATOM 2168 CD GLN A 137 -6.235 10.254 6.697 1.00 53.53 C ATOM 2169 OE1 GLN A 137 -5.223 10.753 7.182 1.00 11.10 O ATOM 2170 NE2 GLN A 137 -6.143 9.562 5.570 1.00 14.23 N ATOM 0 H GLN A 137 -8.913 8.039 8.186 1.00 24.23 H new ATOM 0 HA GLN A 137 -6.235 8.593 8.860 1.00 53.44 H new ATOM 0 HB2 GLN A 137 -8.749 10.275 9.135 1.00 62.03 H new ATOM 0 HB3 GLN A 137 -7.122 10.888 9.355 1.00 62.03 H new ATOM 0 HG2 GLN A 137 -8.338 9.826 6.779 1.00 12.20 H new ATOM 0 HG3 GLN A 137 -7.933 11.491 7.145 1.00 12.20 H new ATOM 0 HE21 GLN A 137 -6.977 9.144 5.159 1.00 14.23 H new ATOM 0 HE22 GLN A 137 -5.238 9.448 5.114 1.00 14.23 H new ATOM 2179 N GLU A 138 -8.129 7.971 11.441 1.00 52.51 N ATOM 2180 CA GLU A 138 -8.077 7.670 12.871 1.00 35.03 C ATOM 2181 C GLU A 138 -6.800 6.870 13.164 1.00 43.52 C ATOM 2182 O GLU A 138 -5.886 7.364 13.833 1.00 21.02 O ATOM 2183 CB GLU A 138 -9.331 6.893 13.330 1.00 61.24 C ATOM 2184 CG GLU A 138 -10.627 7.720 13.258 1.00 34.10 C ATOM 2185 CD GLU A 138 -11.862 7.026 13.855 1.00 73.25 C ATOM 2186 OE1 GLU A 138 -12.069 5.802 13.681 1.00 31.02 O ATOM 2187 OE2 GLU A 138 -12.701 7.713 14.484 1.00 4.12 O ATOM 0 H GLU A 138 -8.972 7.619 10.987 1.00 52.51 H new ATOM 0 HA GLU A 138 -8.059 8.605 13.431 1.00 35.03 H new ATOM 0 HB2 GLU A 138 -9.443 6.002 12.712 1.00 61.24 H new ATOM 0 HB3 GLU A 138 -9.183 6.553 14.355 1.00 61.24 H new ATOM 0 HG2 GLU A 138 -10.470 8.664 13.779 1.00 34.10 H new ATOM 0 HG3 GLU A 138 -10.831 7.962 12.215 1.00 34.10 H new ATOM 2194 N GLU A 139 -6.708 5.653 12.622 1.00 71.21 N ATOM 2195 CA GLU A 139 -5.595 4.726 12.870 1.00 0.40 C ATOM 2196 C GLU A 139 -4.245 5.325 12.473 1.00 62.35 C ATOM 2197 O GLU A 139 -3.194 4.987 13.028 1.00 55.52 O ATOM 2198 CB GLU A 139 -5.737 3.444 12.040 1.00 33.25 C ATOM 2199 CG GLU A 139 -7.074 2.718 12.157 1.00 34.11 C ATOM 2200 CD GLU A 139 -7.006 1.265 11.674 1.00 74.00 C ATOM 2201 OE1 GLU A 139 -6.131 0.935 10.832 1.00 40.53 O ATOM 2202 OE2 GLU A 139 -7.830 0.453 12.160 1.00 72.14 O ATOM 0 H GLU A 139 -7.414 5.276 11.989 1.00 71.21 H new ATOM 0 HA GLU A 139 -5.631 4.520 13.940 1.00 0.40 H new ATOM 0 HB2 GLU A 139 -5.571 3.693 10.992 1.00 33.25 H new ATOM 0 HB3 GLU A 139 -4.945 2.755 12.333 1.00 33.25 H new ATOM 0 HG2 GLU A 139 -7.402 2.735 13.196 1.00 34.11 H new ATOM 0 HG3 GLU A 139 -7.825 3.254 11.577 1.00 34.11 H new ATOM 2209 N ASN A 140 -4.268 6.181 11.451 1.00 2.11 N ATOM 2210 CA ASN A 140 -3.067 6.786 10.891 1.00 60.43 C ATOM 2211 C ASN A 140 -2.424 7.714 11.901 1.00 22.13 C ATOM 2212 O ASN A 140 -1.203 7.732 11.997 1.00 1.44 O ATOM 2213 CB ASN A 140 -3.371 7.528 9.583 1.00 75.11 C ATOM 2214 CG ASN A 140 -3.378 6.570 8.404 1.00 43.54 C ATOM 2215 OD1 ASN A 140 -2.561 6.679 7.502 1.00 21.04 O ATOM 2216 ND2 ASN A 140 -4.252 5.582 8.402 1.00 72.33 N ATOM 0 H ASN A 140 -5.128 6.474 10.988 1.00 2.11 H new ATOM 0 HA ASN A 140 -2.364 5.986 10.658 1.00 60.43 H new ATOM 0 HB2 ASN A 140 -4.338 8.025 9.659 1.00 75.11 H new ATOM 0 HB3 ASN A 140 -2.625 8.306 9.420 1.00 75.11 H new ATOM 0 HD21 ASN A 140 -4.250 4.901 7.643 1.00 72.33 H new ATOM 0 HD22 ASN A 140 -4.930 5.499 9.159 1.00 72.33 H new ATOM 2223 N LYS A 141 -3.211 8.472 12.668 1.00 55.11 N ATOM 2224 CA LYS A 141 -2.667 9.351 13.702 1.00 20.34 C ATOM 2225 C LYS A 141 -1.940 8.520 14.737 1.00 54.25 C ATOM 2226 O LYS A 141 -0.817 8.849 15.086 1.00 24.23 O ATOM 2227 CB LYS A 141 -3.777 10.150 14.378 1.00 13.14 C ATOM 2228 CG LYS A 141 -4.374 11.139 13.383 1.00 72.31 C ATOM 2229 CD LYS A 141 -5.793 11.518 13.785 1.00 41.55 C ATOM 2230 CE LYS A 141 -6.380 12.266 12.584 1.00 31.32 C ATOM 2231 NZ LYS A 141 -7.608 13.011 12.900 1.00 71.34 N ATOM 0 H LYS A 141 -4.228 8.494 12.591 1.00 55.11 H new ATOM 0 HA LYS A 141 -1.975 10.051 13.233 1.00 20.34 H new ATOM 0 HB2 LYS A 141 -4.551 9.477 14.746 1.00 13.14 H new ATOM 0 HB3 LYS A 141 -3.381 10.683 15.242 1.00 13.14 H new ATOM 0 HG2 LYS A 141 -3.753 12.034 13.335 1.00 72.31 H new ATOM 0 HG3 LYS A 141 -4.378 10.700 12.385 1.00 72.31 H new ATOM 0 HD2 LYS A 141 -6.383 10.632 14.020 1.00 41.55 H new ATOM 0 HD3 LYS A 141 -5.793 12.147 14.675 1.00 41.55 H new ATOM 0 HE2 LYS A 141 -5.633 12.959 12.198 1.00 31.32 H new ATOM 0 HE3 LYS A 141 -6.593 11.551 11.789 1.00 31.32 H new ATOM 0 HZ1 LYS A 141 -7.951 13.493 12.045 1.00 71.34 H new ATOM 0 HZ2 LYS A 141 -8.336 12.352 13.242 1.00 71.34 H new ATOM 0 HZ3 LYS A 141 -7.406 13.716 13.637 1.00 71.34 H new ATOM 2245 N ALA A 142 -2.583 7.453 15.201 1.00 24.42 N ATOM 2246 CA ALA A 142 -2.003 6.571 16.210 1.00 3.52 C ATOM 2247 C ALA A 142 -0.625 6.058 15.771 1.00 13.21 C ATOM 2248 O ALA A 142 0.292 6.012 16.586 1.00 62.21 O ATOM 2249 CB ALA A 142 -2.965 5.423 16.524 1.00 0.30 C ATOM 0 H ALA A 142 -3.515 7.176 14.891 1.00 24.42 H new ATOM 0 HA ALA A 142 -1.851 7.141 17.126 1.00 3.52 H new ATOM 0 HB1 ALA A 142 -2.521 4.772 17.278 1.00 0.30 H new ATOM 0 HB2 ALA A 142 -3.904 5.828 16.902 1.00 0.30 H new ATOM 0 HB3 ALA A 142 -3.156 4.850 15.617 1.00 0.30 H new ATOM 2255 N PHE A 143 -0.481 5.720 14.487 1.00 4.23 N ATOM 2256 CA PHE A 143 0.782 5.321 13.883 1.00 11.15 C ATOM 2257 C PHE A 143 1.797 6.469 13.933 1.00 51.11 C ATOM 2258 O PHE A 143 2.845 6.334 14.561 1.00 1.23 O ATOM 2259 CB PHE A 143 0.508 4.847 12.449 1.00 60.43 C ATOM 2260 CG PHE A 143 1.717 4.328 11.683 1.00 74.23 C ATOM 2261 CD1 PHE A 143 2.656 5.225 11.134 1.00 20.13 C ATOM 2262 CD2 PHE A 143 1.890 2.947 11.481 1.00 73.44 C ATOM 2263 CE1 PHE A 143 3.753 4.756 10.391 1.00 34.14 C ATOM 2264 CE2 PHE A 143 2.984 2.479 10.732 1.00 53.13 C ATOM 2265 CZ PHE A 143 3.915 3.378 10.186 1.00 75.31 C ATOM 0 H PHE A 143 -1.260 5.718 13.828 1.00 4.23 H new ATOM 0 HA PHE A 143 1.225 4.498 14.444 1.00 11.15 H new ATOM 0 HB2 PHE A 143 -0.243 4.058 12.484 1.00 60.43 H new ATOM 0 HB3 PHE A 143 0.074 5.675 11.889 1.00 60.43 H new ATOM 0 HD1 PHE A 143 2.531 6.287 11.286 1.00 20.13 H new ATOM 0 HD2 PHE A 143 1.183 2.247 11.901 1.00 73.44 H new ATOM 0 HE1 PHE A 143 4.468 5.453 9.980 1.00 34.14 H new ATOM 0 HE2 PHE A 143 3.110 1.418 10.575 1.00 53.13 H new ATOM 0 HZ PHE A 143 4.752 3.010 9.611 1.00 75.31 H new ATOM 2275 N GLU A 144 1.537 7.589 13.242 1.00 51.15 N ATOM 2276 CA GLU A 144 2.551 8.632 13.044 1.00 23.14 C ATOM 2277 C GLU A 144 3.004 9.234 14.374 1.00 35.04 C ATOM 2278 O GLU A 144 4.178 9.571 14.533 1.00 73.34 O ATOM 2279 CB GLU A 144 2.072 9.736 12.088 1.00 1.21 C ATOM 2280 CG GLU A 144 0.710 10.333 12.447 1.00 43.44 C ATOM 2281 CD GLU A 144 0.590 11.804 12.079 1.00 22.03 C ATOM 2282 OE1 GLU A 144 0.398 12.077 10.874 1.00 63.23 O ATOM 2283 OE2 GLU A 144 0.650 12.685 12.975 1.00 55.41 O ATOM 0 H GLU A 144 0.635 7.794 12.812 1.00 51.15 H new ATOM 0 HA GLU A 144 3.408 8.144 12.579 1.00 23.14 H new ATOM 0 HB2 GLU A 144 2.813 10.535 12.074 1.00 1.21 H new ATOM 0 HB3 GLU A 144 2.022 9.329 11.078 1.00 1.21 H new ATOM 0 HG2 GLU A 144 -0.073 9.772 11.937 1.00 43.44 H new ATOM 0 HG3 GLU A 144 0.539 10.217 13.517 1.00 43.44 H new ATOM 2290 N GLU A 145 2.091 9.307 15.343 1.00 61.33 N ATOM 2291 CA GLU A 145 2.289 9.822 16.689 1.00 14.51 C ATOM 2292 C GLU A 145 3.348 9.030 17.466 1.00 43.25 C ATOM 2293 O GLU A 145 3.874 9.499 18.478 1.00 54.51 O ATOM 2294 CB GLU A 145 0.913 9.793 17.363 1.00 54.13 C ATOM 2295 CG GLU A 145 0.857 10.416 18.758 1.00 31.11 C ATOM 2296 CD GLU A 145 -0.440 11.202 19.047 1.00 35.20 C ATOM 2297 OE1 GLU A 145 -1.543 10.874 18.537 1.00 13.34 O ATOM 2298 OE2 GLU A 145 -0.390 12.146 19.869 1.00 51.34 O ATOM 0 H GLU A 145 1.134 8.986 15.194 1.00 61.33 H new ATOM 0 HA GLU A 145 2.682 10.839 16.665 1.00 14.51 H new ATOM 0 HB2 GLU A 145 0.201 10.313 16.722 1.00 54.13 H new ATOM 0 HB3 GLU A 145 0.582 8.757 17.432 1.00 54.13 H new ATOM 0 HG2 GLU A 145 0.963 9.626 19.501 1.00 31.11 H new ATOM 0 HG3 GLU A 145 1.709 11.085 18.880 1.00 31.11 H new ATOM 2305 N LEU A 146 3.688 7.842 16.975 1.00 20.00 N ATOM 2306 CA LEU A 146 4.701 6.936 17.494 1.00 42.42 C ATOM 2307 C LEU A 146 5.779 6.555 16.465 1.00 33.43 C ATOM 2308 O LEU A 146 6.726 5.864 16.841 1.00 13.44 O ATOM 2309 CB LEU A 146 4.001 5.684 18.068 1.00 53.53 C ATOM 2310 CG LEU A 146 3.404 5.796 19.485 1.00 34.14 C ATOM 2311 CD1 LEU A 146 4.329 6.549 20.441 1.00 1.55 C ATOM 2312 CD2 LEU A 146 2.002 6.411 19.553 1.00 0.53 C ATOM 0 H LEU A 146 3.230 7.463 16.146 1.00 20.00 H new ATOM 0 HA LEU A 146 5.241 7.460 18.282 1.00 42.42 H new ATOM 0 HB2 LEU A 146 3.199 5.403 17.385 1.00 53.53 H new ATOM 0 HB3 LEU A 146 4.721 4.865 18.069 1.00 53.53 H new ATOM 0 HG LEU A 146 3.306 4.757 19.800 1.00 34.14 H new ATOM 0 HD11 LEU A 146 3.867 6.603 21.427 1.00 1.55 H new ATOM 0 HD12 LEU A 146 5.281 6.024 20.515 1.00 1.55 H new ATOM 0 HD13 LEU A 146 4.499 7.558 20.064 1.00 1.55 H new ATOM 0 HD21 LEU A 146 1.670 6.446 20.591 1.00 0.53 H new ATOM 0 HD22 LEU A 146 2.028 7.422 19.146 1.00 0.53 H new ATOM 0 HD23 LEU A 146 1.309 5.803 18.971 1.00 0.53 H new ATOM 2324 N HIS A 147 5.691 6.997 15.209 1.00 31.02 N ATOM 2325 CA HIS A 147 6.625 6.647 14.123 1.00 34.41 C ATOM 2326 C HIS A 147 7.233 7.927 13.503 1.00 74.21 C ATOM 2327 O HIS A 147 6.876 8.292 12.375 1.00 60.14 O ATOM 2328 CB HIS A 147 5.938 5.744 13.070 1.00 64.31 C ATOM 2329 CG HIS A 147 5.669 4.316 13.500 1.00 20.04 C ATOM 2330 ND1 HIS A 147 6.052 3.172 12.823 1.00 12.55 N ATOM 2331 CD2 HIS A 147 4.956 3.915 14.599 1.00 75.14 C ATOM 2332 CE1 HIS A 147 5.610 2.115 13.525 1.00 11.33 C ATOM 2333 NE2 HIS A 147 4.956 2.516 14.629 1.00 43.41 N ATOM 0 H HIS A 147 4.949 7.627 14.905 1.00 31.02 H new ATOM 0 HA HIS A 147 7.449 6.067 14.538 1.00 34.41 H new ATOM 0 HB2 HIS A 147 4.990 6.203 12.788 1.00 64.31 H new ATOM 0 HB3 HIS A 147 6.561 5.723 12.176 1.00 64.31 H new ATOM 0 HD1 HIS A 147 6.576 3.137 11.948 1.00 12.55 H new ATOM 0 HD2 HIS A 147 4.478 4.565 15.317 1.00 75.14 H new ATOM 0 HE1 HIS A 147 5.760 1.084 13.241 1.00 11.33 H new ATOM 2341 N PRO A 148 8.130 8.634 14.222 1.00 64.03 N ATOM 2342 CA PRO A 148 8.730 9.896 13.781 1.00 72.25 C ATOM 2343 C PRO A 148 9.819 9.703 12.722 1.00 55.30 C ATOM 2344 O PRO A 148 10.306 10.709 12.162 1.00 71.31 O ATOM 2345 CB PRO A 148 9.326 10.513 15.052 1.00 42.21 C ATOM 2346 CG PRO A 148 9.742 9.289 15.858 1.00 22.42 C ATOM 2347 CD PRO A 148 8.603 8.314 15.564 1.00 20.35 C ATOM 0 HA PRO A 148 7.982 10.530 13.306 1.00 72.25 H new ATOM 0 HB2 PRO A 148 10.176 11.158 14.828 1.00 42.21 H new ATOM 0 HB3 PRO A 148 8.596 11.121 15.587 1.00 42.21 H new ATOM 0 HG2 PRO A 148 10.707 8.898 15.537 1.00 22.42 H new ATOM 0 HG3 PRO A 148 9.826 9.510 16.922 1.00 22.42 H new ATOM 0 HD2 PRO A 148 8.950 7.282 15.619 1.00 20.35 H new ATOM 0 HD3 PRO A 148 7.801 8.420 16.295 1.00 20.35 H new