USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1339 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 Single : A 4 SER OG : rot 180:sc= -0.136 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0729 (180deg=-0.594) USER MOD Single : A 7 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-0.2) USER MOD Single : A 15 MET CE :methyl -154:sc= -0.784 (180deg=-2.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 93:sc= 0.941 USER MOD Single : A 32 LYS NZ :NH3+ -111:sc= 0.0589 (180deg=-0.103) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0942) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0416 (180deg=-0.848) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 48 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.24) USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= 0.251 (180deg=-1.58!) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.075) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc=-0.000245 (180deg=-0.213) USER MOD Single : A 66 THR OG1 : rot 73:sc= 0.854 USER MOD Single : A 67 CYS SG : rot -44:sc= 1.05 USER MOD Single : A 70 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 73 GLN : amide:sc= -0.667 X(o=-0.67,f=-1) USER MOD Single : A 74 SER OG : rot 77:sc= 0.726 USER MOD Single : A 77 CYS SG : rot -21:sc= -0.404 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.686 USER MOD Single : A 85 CYS SG : rot 79:sc= -3.06! USER MOD Single : B 4 SER OG : rot 180:sc= -0.16 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 6 LYS NZ :NH3+ -160:sc= -0.0924 (180deg=-0.556) USER MOD Single : B 7 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.21) USER MOD Single : B 15 MET CE :methyl -153:sc= -0.848 (180deg=-2.15) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 89:sc= 0.901 USER MOD Single : B 32 LYS NZ :NH3+ -111:sc= 0.0657 (180deg=-0.105) USER MOD Single : B 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0835) USER MOD Single : B 41 LYS NZ :NH3+ 160:sc= -0.0571 (180deg=-0.779) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.623 USER MOD Single : B 48 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : B 53 LYS NZ :NH3+ -133:sc= 0.28 (180deg=-0.837) USER MOD Single : B 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.079) USER MOD Single : B 64 LYS NZ :NH3+ -164:sc= -0.0118 (180deg=-0.2) USER MOD Single : B 66 THR OG1 : rot 68:sc= 0.88 USER MOD Single : B 67 CYS SG : rot -43:sc= 0.921 USER MOD Single : B 70 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : B 72 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.139) USER MOD Single : B 73 GLN : amide:sc= -0.708 X(o=-0.71,f=-1) USER MOD Single : B 74 SER OG : rot 77:sc= 0.737 USER MOD Single : B 77 CYS SG : rot -31:sc= -0.489 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.724 USER MOD Single : B 85 CYS SG : rot 79:sc= -3.08! USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.786 -10.667 5.316 1.00 0.63 N ATOM 49 CA SER A 4 121.567 -11.930 4.554 1.00 0.61 C ATOM 50 C SER A 4 122.817 -12.804 4.657 1.00 0.60 C ATOM 51 O SER A 4 123.887 -12.347 5.008 1.00 0.57 O ATOM 52 CB SER A 4 121.295 -11.597 3.086 1.00 0.63 C ATOM 53 OG SER A 4 121.222 -12.803 2.338 1.00 1.51 O ATOM 0 HA SER A 4 120.713 -12.465 4.968 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.362 -11.041 2.994 1.00 0.63 H new ATOM 0 HB3 SER A 4 122.086 -10.959 2.693 1.00 0.63 H new ATOM 0 HG SER A 4 121.046 -12.594 1.397 1.00 1.51 H new ATOM 59 N GLN A 5 122.675 -14.067 4.358 1.00 0.63 N ATOM 60 CA GLN A 5 123.835 -15.000 4.439 1.00 0.64 C ATOM 61 C GLN A 5 125.025 -14.410 3.685 1.00 0.60 C ATOM 62 O GLN A 5 126.160 -14.778 3.911 1.00 0.59 O ATOM 63 CB GLN A 5 123.448 -16.344 3.817 1.00 0.71 C ATOM 64 CG GLN A 5 124.570 -17.358 4.053 1.00 1.34 C ATOM 65 CD GLN A 5 124.169 -18.710 3.461 1.00 1.60 C ATOM 66 OE1 GLN A 5 123.352 -18.776 2.563 1.00 2.09 O ATOM 67 NE2 GLN A 5 124.707 -19.801 3.935 1.00 2.18 N ATOM 0 H GLN A 5 121.799 -14.495 4.059 1.00 0.63 H new ATOM 0 HA GLN A 5 124.111 -15.147 5.483 1.00 0.64 H new ATOM 0 HB2 GLN A 5 122.518 -16.706 4.256 1.00 0.71 H new ATOM 0 HB3 GLN A 5 123.270 -16.224 2.748 1.00 0.71 H new ATOM 0 HG2 GLN A 5 125.494 -17.007 3.593 1.00 1.34 H new ATOM 0 HG3 GLN A 5 124.764 -17.460 5.121 1.00 1.34 H new ATOM 0 HE21 GLN A 5 125.392 -19.746 4.688 1.00 2.18 H new ATOM 0 HE22 GLN A 5 124.442 -20.708 3.552 1.00 2.18 H new ATOM 76 N LYS A 6 124.775 -13.493 2.788 1.00 0.59 N ATOM 77 CA LYS A 6 125.888 -12.877 2.016 1.00 0.57 C ATOM 78 C LYS A 6 126.824 -12.157 2.989 1.00 0.51 C ATOM 79 O LYS A 6 128.025 -12.133 2.805 1.00 0.50 O ATOM 80 CB LYS A 6 125.314 -11.872 1.015 1.00 0.58 C ATOM 81 CG LYS A 6 124.475 -12.617 -0.026 1.00 0.65 C ATOM 82 CD LYS A 6 123.897 -11.617 -1.032 1.00 0.81 C ATOM 83 CE LYS A 6 123.058 -12.365 -2.072 1.00 1.26 C ATOM 84 NZ LYS A 6 123.922 -13.324 -2.818 1.00 2.02 N ATOM 0 H LYS A 6 123.844 -13.145 2.558 1.00 0.59 H new ATOM 0 HA LYS A 6 126.440 -13.647 1.476 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.701 -11.135 1.533 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.121 -11.327 0.526 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.089 -13.354 -0.543 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.668 -13.162 0.465 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.282 -10.880 -0.516 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.703 -11.072 -1.523 1.00 0.81 H new ATOM 0 HE2 LYS A 6 122.244 -12.899 -1.581 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.603 -11.657 -2.764 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 123.457 -13.589 -3.710 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 124.838 -12.878 -3.024 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.074 -14.176 -2.241 1.00 2.02 H new ATOM 98 N HIS A 7 126.286 -11.566 4.019 1.00 0.49 N ATOM 99 CA HIS A 7 127.149 -10.843 4.995 1.00 0.45 C ATOM 100 C HIS A 7 128.158 -11.813 5.619 1.00 0.45 C ATOM 101 O HIS A 7 129.339 -11.532 5.684 1.00 0.43 O ATOM 102 CB HIS A 7 126.260 -10.223 6.086 1.00 0.45 C ATOM 103 CG HIS A 7 127.087 -9.781 7.268 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.494 -8.465 7.447 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.571 -10.473 8.352 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.187 -8.409 8.603 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.262 -9.604 9.188 1.00 0.42 N ATOM 0 H HIS A 7 125.288 -11.552 4.227 1.00 0.49 H new ATOM 0 HA HIS A 7 127.700 -10.053 4.485 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.717 -9.370 5.678 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.515 -10.950 6.410 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.435 -11.530 8.527 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.626 -7.508 9.004 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.729 -9.833 10.066 1.00 0.42 H new ATOM 115 N ARG A 8 127.705 -12.952 6.087 1.00 0.48 N ATOM 116 CA ARG A 8 128.632 -13.937 6.711 1.00 0.50 C ATOM 117 C ARG A 8 129.536 -14.553 5.642 1.00 0.51 C ATOM 118 O ARG A 8 130.687 -14.857 5.886 1.00 0.51 O ATOM 119 CB ARG A 8 127.817 -15.047 7.376 1.00 0.55 C ATOM 120 CG ARG A 8 127.024 -14.472 8.554 1.00 0.57 C ATOM 121 CD ARG A 8 126.214 -15.592 9.221 1.00 1.00 C ATOM 122 NE ARG A 8 125.073 -15.007 10.000 1.00 1.69 N ATOM 123 CZ ARG A 8 125.260 -14.074 10.895 1.00 2.27 C ATOM 124 NH1 ARG A 8 126.464 -13.749 11.278 1.00 2.42 N ATOM 125 NH2 ARG A 8 124.228 -13.501 11.455 1.00 3.21 N ATOM 0 H ARG A 8 126.727 -13.239 6.061 1.00 0.48 H new ATOM 0 HA ARG A 8 129.246 -13.428 7.454 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.137 -15.495 6.652 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.480 -15.839 7.724 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.703 -14.020 9.277 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.357 -13.683 8.207 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.834 -16.278 8.464 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.857 -16.172 9.883 1.00 1.00 H new ATOM 0 HE ARG A 8 124.127 -15.347 9.826 1.00 1.69 H new ATOM 0 HH11 ARG A 8 127.272 -14.225 10.878 1.00 2.42 H new ATOM 0 HH12 ARG A 8 126.597 -13.019 11.978 1.00 2.42 H new ATOM 0 HH21 ARG A 8 123.283 -13.783 11.193 1.00 3.21 H new ATOM 0 HH22 ARG A 8 124.367 -12.772 12.155 1.00 3.21 H new ATOM 139 N ASP A 9 129.022 -14.740 4.462 1.00 0.52 N ATOM 140 CA ASP A 9 129.844 -15.337 3.373 1.00 0.54 C ATOM 141 C ASP A 9 130.916 -14.343 2.932 1.00 0.49 C ATOM 142 O ASP A 9 132.038 -14.710 2.642 1.00 0.49 O ATOM 143 CB ASP A 9 128.960 -15.683 2.175 1.00 0.61 C ATOM 144 CG ASP A 9 128.053 -16.864 2.526 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.369 -17.570 3.468 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.059 -17.044 1.841 1.00 0.76 O ATOM 0 H ASP A 9 128.064 -14.505 4.202 1.00 0.52 H new ATOM 0 HA ASP A 9 130.315 -16.245 3.749 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.357 -14.820 1.895 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.580 -15.932 1.314 1.00 0.61 H new ATOM 151 N PHE A 10 130.571 -13.089 2.854 1.00 0.46 N ATOM 152 CA PHE A 10 131.560 -12.075 2.402 1.00 0.43 C ATOM 153 C PHE A 10 132.703 -11.956 3.417 1.00 0.38 C ATOM 154 O PHE A 10 133.859 -11.872 3.050 1.00 0.36 O ATOM 155 CB PHE A 10 130.855 -10.726 2.252 1.00 0.45 C ATOM 156 CG PHE A 10 131.790 -9.736 1.603 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.817 -9.613 0.209 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.627 -8.941 2.394 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.683 -8.695 -0.395 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.493 -8.022 1.790 1.00 0.43 C ATOM 161 CZ PHE A 10 133.521 -7.899 0.395 1.00 0.43 C ATOM 0 H PHE A 10 129.647 -12.723 3.084 1.00 0.46 H new ATOM 0 HA PHE A 10 131.980 -12.381 1.444 1.00 0.43 H new ATOM 0 HB2 PHE A 10 129.954 -10.840 1.649 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.540 -10.358 3.229 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.170 -10.226 -0.400 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.605 -9.036 3.470 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.705 -8.600 -1.471 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.139 -7.408 2.399 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.189 -7.190 -0.071 1.00 0.43 H new ATOM 171 N VAL A 11 132.400 -11.948 4.689 1.00 0.37 N ATOM 172 CA VAL A 11 133.483 -11.833 5.714 1.00 0.35 C ATOM 173 C VAL A 11 134.075 -13.217 6.004 1.00 0.37 C ATOM 174 O VAL A 11 134.771 -13.405 6.982 1.00 0.38 O ATOM 175 CB VAL A 11 132.912 -11.246 7.006 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.277 -9.883 6.716 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.854 -12.196 7.571 1.00 0.40 C ATOM 0 H VAL A 11 131.453 -12.016 5.063 1.00 0.37 H new ATOM 0 HA VAL A 11 134.265 -11.178 5.331 1.00 0.35 H new ATOM 0 HB VAL A 11 133.714 -11.121 7.733 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.871 -9.467 7.638 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.033 -9.207 6.315 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.475 -10.003 5.988 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.446 -11.780 8.492 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.052 -12.322 6.843 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.309 -13.164 7.781 1.00 0.40 H new ATOM 187 N ALA A 12 133.800 -14.188 5.164 1.00 0.41 N ATOM 188 CA ALA A 12 134.336 -15.574 5.383 1.00 0.48 C ATOM 189 C ALA A 12 135.301 -15.960 4.257 1.00 0.46 C ATOM 190 O ALA A 12 135.987 -16.959 4.339 1.00 0.49 O ATOM 191 CB ALA A 12 133.173 -16.567 5.407 1.00 0.54 C ATOM 0 H ALA A 12 133.223 -14.080 4.330 1.00 0.41 H new ATOM 0 HA ALA A 12 134.871 -15.598 6.332 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.558 -17.574 5.566 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.490 -16.308 6.216 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.641 -16.527 4.456 1.00 0.54 H new ATOM 197 N GLU A 13 135.367 -15.184 3.208 1.00 0.43 N ATOM 198 CA GLU A 13 136.299 -15.524 2.088 1.00 0.43 C ATOM 199 C GLU A 13 136.700 -14.239 1.343 1.00 0.40 C ATOM 200 O GLU A 13 135.925 -13.307 1.266 1.00 0.37 O ATOM 201 CB GLU A 13 135.592 -16.475 1.117 1.00 0.46 C ATOM 202 CG GLU A 13 134.446 -15.735 0.417 1.00 0.48 C ATOM 203 CD GLU A 13 133.517 -16.746 -0.259 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.001 -17.794 -0.654 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.338 -16.454 -0.369 1.00 1.05 O ATOM 0 H GLU A 13 134.820 -14.333 3.076 1.00 0.43 H new ATOM 0 HA GLU A 13 137.192 -16.003 2.489 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.301 -16.851 0.379 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.205 -17.340 1.656 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.888 -15.141 1.141 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.846 -15.042 -0.323 1.00 0.48 H new ATOM 212 N PRO A 14 137.885 -14.185 0.770 1.00 0.42 N ATOM 213 CA PRO A 14 138.335 -12.990 0.004 1.00 0.40 C ATOM 214 C PRO A 14 137.197 -12.396 -0.837 1.00 0.36 C ATOM 215 O PRO A 14 136.210 -13.052 -1.108 1.00 0.36 O ATOM 216 CB PRO A 14 139.443 -13.551 -0.893 1.00 0.45 C ATOM 217 CG PRO A 14 140.046 -14.671 -0.101 1.00 0.49 C ATOM 218 CD PRO A 14 138.923 -15.236 0.788 1.00 0.48 C ATOM 0 HA PRO A 14 138.669 -12.177 0.648 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.041 -13.908 -1.841 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.185 -12.788 -1.128 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.443 -15.442 -0.761 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.877 -14.312 0.506 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.542 -16.179 0.397 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.276 -15.430 1.801 1.00 0.48 H new ATOM 226 N MET A 15 137.322 -11.164 -1.255 1.00 0.35 N ATOM 227 CA MET A 15 136.241 -10.538 -2.079 1.00 0.35 C ATOM 228 C MET A 15 136.543 -10.742 -3.567 1.00 0.36 C ATOM 229 O MET A 15 135.677 -10.621 -4.410 1.00 0.39 O ATOM 230 CB MET A 15 136.168 -9.037 -1.774 1.00 0.37 C ATOM 231 CG MET A 15 137.580 -8.446 -1.744 1.00 0.41 C ATOM 232 SD MET A 15 137.489 -6.652 -1.976 1.00 0.57 S ATOM 233 CE MET A 15 137.176 -6.201 -0.253 1.00 0.43 C ATOM 0 H MET A 15 138.124 -10.563 -1.063 1.00 0.35 H new ATOM 0 HA MET A 15 135.287 -11.006 -1.836 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.568 -8.531 -2.531 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.675 -8.875 -0.815 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.062 -8.677 -0.794 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.190 -8.894 -2.528 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.644 -5.250 -0.217 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.571 -6.974 0.221 1.00 0.43 H new ATOM 0 HE3 MET A 15 138.124 -6.107 0.276 1.00 0.43 H new ATOM 243 N GLY A 16 137.768 -11.056 -3.892 1.00 0.37 N ATOM 244 CA GLY A 16 138.137 -11.274 -5.322 1.00 0.40 C ATOM 245 C GLY A 16 137.644 -10.100 -6.174 1.00 0.40 C ATOM 246 O GLY A 16 137.690 -8.958 -5.764 1.00 0.38 O ATOM 0 H GLY A 16 138.532 -11.172 -3.227 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.218 -11.374 -5.416 1.00 0.40 H new ATOM 0 HA3 GLY A 16 137.698 -12.205 -5.682 1.00 0.40 H new ATOM 250 N GLU A 17 137.201 -10.377 -7.376 1.00 0.41 N ATOM 251 CA GLU A 17 136.729 -9.292 -8.296 1.00 0.42 C ATOM 252 C GLU A 17 135.199 -9.273 -8.353 1.00 0.40 C ATOM 253 O GLU A 17 134.612 -8.911 -9.353 1.00 0.40 O ATOM 254 CB GLU A 17 137.283 -9.560 -9.696 1.00 0.47 C ATOM 255 CG GLU A 17 138.812 -9.554 -9.647 1.00 0.52 C ATOM 256 CD GLU A 17 139.369 -9.823 -11.046 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.583 -10.138 -11.924 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.573 -9.715 -11.214 1.00 0.85 O ATOM 0 H GLU A 17 137.145 -11.319 -7.764 1.00 0.41 H new ATOM 0 HA GLU A 17 137.079 -8.328 -7.928 1.00 0.42 H new ATOM 0 HB2 GLU A 17 136.924 -10.521 -10.063 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.927 -8.800 -10.392 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.171 -8.592 -9.280 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.167 -10.314 -8.951 1.00 0.52 H new ATOM 265 N LYS A 18 134.547 -9.664 -7.294 1.00 0.38 N ATOM 266 CA LYS A 18 133.056 -9.670 -7.297 1.00 0.36 C ATOM 267 C LYS A 18 132.560 -8.236 -7.547 1.00 0.32 C ATOM 268 O LYS A 18 133.215 -7.282 -7.176 1.00 0.31 O ATOM 269 CB LYS A 18 132.552 -10.151 -5.933 1.00 0.36 C ATOM 270 CG LYS A 18 132.853 -11.652 -5.753 1.00 0.45 C ATOM 271 CD LYS A 18 131.714 -12.496 -6.343 1.00 1.17 C ATOM 272 CE LYS A 18 131.975 -13.981 -6.069 1.00 1.44 C ATOM 273 NZ LYS A 18 130.701 -14.743 -6.213 1.00 2.01 N ATOM 0 H LYS A 18 134.981 -9.980 -6.427 1.00 0.38 H new ATOM 0 HA LYS A 18 132.684 -10.335 -8.077 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.030 -9.579 -5.138 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.479 -9.975 -5.851 1.00 0.36 H new ATOM 0 HG2 LYS A 18 133.793 -11.903 -6.244 1.00 0.45 H new ATOM 0 HG3 LYS A 18 132.975 -11.882 -4.694 1.00 0.45 H new ATOM 0 HD2 LYS A 18 130.762 -12.197 -5.904 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.638 -12.322 -7.416 1.00 1.17 H new ATOM 0 HE2 LYS A 18 132.722 -14.365 -6.764 1.00 1.44 H new ATOM 0 HE3 LYS A 18 132.378 -14.111 -5.065 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 130.877 -15.751 -6.027 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 130.002 -14.382 -5.533 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 130.335 -14.628 -7.180 1.00 2.01 H new ATOM 287 N PRO A 19 131.420 -8.073 -8.183 1.00 0.31 N ATOM 288 CA PRO A 19 130.863 -6.719 -8.489 1.00 0.29 C ATOM 289 C PRO A 19 130.499 -5.937 -7.222 1.00 0.25 C ATOM 290 O PRO A 19 130.330 -6.496 -6.157 1.00 0.24 O ATOM 291 CB PRO A 19 129.616 -7.014 -9.345 1.00 0.32 C ATOM 292 CG PRO A 19 129.234 -8.421 -9.008 1.00 0.33 C ATOM 293 CD PRO A 19 130.539 -9.147 -8.678 1.00 0.34 C ATOM 0 HA PRO A 19 131.589 -6.088 -9.001 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.807 -6.320 -9.115 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.834 -6.909 -10.408 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.549 -8.447 -8.161 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.724 -8.898 -9.845 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.388 -9.920 -7.925 1.00 0.34 H new ATOM 0 HD3 PRO A 19 130.959 -9.636 -9.557 1.00 0.34 H new ATOM 301 N VAL A 20 130.390 -4.642 -7.337 1.00 0.25 N ATOM 302 CA VAL A 20 130.055 -3.807 -6.150 1.00 0.23 C ATOM 303 C VAL A 20 128.735 -4.267 -5.530 1.00 0.21 C ATOM 304 O VAL A 20 128.619 -4.432 -4.331 1.00 0.23 O ATOM 305 CB VAL A 20 129.955 -2.334 -6.566 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.941 -2.175 -7.707 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.511 -1.492 -5.364 1.00 0.29 C ATOM 0 H VAL A 20 130.519 -4.124 -8.206 1.00 0.25 H new ATOM 0 HA VAL A 20 130.844 -3.918 -5.406 1.00 0.23 H new ATOM 0 HB VAL A 20 130.932 -1.995 -6.910 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.878 -1.125 -7.994 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.262 -2.767 -8.564 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.962 -2.519 -7.374 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.440 -0.445 -5.659 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.537 -1.838 -5.017 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.240 -1.593 -4.560 1.00 0.29 H new ATOM 317 N GLY A 21 127.736 -4.465 -6.344 1.00 0.23 N ATOM 318 CA GLY A 21 126.411 -4.900 -5.818 1.00 0.21 C ATOM 319 C GLY A 21 126.567 -6.157 -4.954 1.00 0.20 C ATOM 320 O GLY A 21 125.606 -6.653 -4.400 1.00 0.19 O ATOM 0 H GLY A 21 127.780 -4.344 -7.356 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.965 -4.099 -5.229 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.732 -5.102 -6.646 1.00 0.21 H new ATOM 324 N SER A 22 127.759 -6.682 -4.825 1.00 0.20 N ATOM 325 CA SER A 22 127.946 -7.904 -3.990 1.00 0.20 C ATOM 326 C SER A 22 128.075 -7.508 -2.516 1.00 0.19 C ATOM 327 O SER A 22 127.827 -8.302 -1.630 1.00 0.20 O ATOM 328 CB SER A 22 129.220 -8.627 -4.429 1.00 0.23 C ATOM 329 OG SER A 22 129.154 -8.888 -5.824 1.00 1.24 O ATOM 0 H SER A 22 128.607 -6.318 -5.260 1.00 0.20 H new ATOM 0 HA SER A 22 127.086 -8.561 -4.116 1.00 0.20 H new ATOM 0 HB2 SER A 22 130.095 -8.017 -4.202 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.331 -9.561 -3.877 1.00 0.23 H new ATOM 0 HG SER A 22 129.583 -8.156 -6.314 1.00 1.24 H new ATOM 335 N LEU A 23 128.467 -6.293 -2.242 1.00 0.17 N ATOM 336 CA LEU A 23 128.614 -5.870 -0.821 1.00 0.18 C ATOM 337 C LEU A 23 127.252 -5.897 -0.131 1.00 0.18 C ATOM 338 O LEU A 23 126.244 -5.521 -0.693 1.00 0.17 O ATOM 339 CB LEU A 23 129.189 -4.453 -0.757 1.00 0.18 C ATOM 340 CG LEU A 23 130.643 -4.467 -1.241 1.00 0.21 C ATOM 341 CD1 LEU A 23 131.151 -3.027 -1.345 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.534 -5.268 -0.264 1.00 0.24 C ATOM 0 H LEU A 23 128.690 -5.580 -2.936 1.00 0.17 H new ATOM 0 HA LEU A 23 129.291 -6.557 -0.314 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.595 -3.780 -1.376 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.138 -4.075 0.264 1.00 0.18 H new ATOM 0 HG LEU A 23 130.688 -4.947 -2.219 1.00 0.21 H new ATOM 0 HD11 LEU A 23 132.185 -3.030 -1.689 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.535 -2.474 -2.054 1.00 0.23 H new ATOM 0 HD13 LEU A 23 131.095 -2.550 -0.366 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.563 -5.266 -0.625 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.495 -4.809 0.724 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.173 -6.295 -0.201 1.00 0.24 H new ATOM 354 N ALA A 24 127.229 -6.343 1.088 1.00 0.18 N ATOM 355 CA ALA A 24 125.942 -6.401 1.832 1.00 0.19 C ATOM 356 C ALA A 24 125.397 -4.986 2.039 1.00 0.20 C ATOM 357 O ALA A 24 126.110 -4.074 2.405 1.00 0.20 O ATOM 358 CB ALA A 24 126.172 -7.064 3.191 1.00 0.21 C ATOM 0 H ALA A 24 128.045 -6.671 1.604 1.00 0.18 H new ATOM 0 HA ALA A 24 125.220 -6.982 1.258 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.230 -7.108 3.738 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.553 -8.074 3.043 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.897 -6.483 3.761 1.00 0.21 H new ATOM 364 N GLY A 25 124.124 -4.806 1.796 1.00 0.20 N ATOM 365 CA GLY A 25 123.499 -3.456 1.964 1.00 0.21 C ATOM 366 C GLY A 25 123.383 -2.771 0.600 1.00 0.21 C ATOM 367 O GLY A 25 122.638 -1.826 0.431 1.00 0.22 O ATOM 0 H GLY A 25 123.486 -5.539 1.487 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.513 -3.554 2.418 1.00 0.21 H new ATOM 0 HA3 GLY A 25 124.101 -2.847 2.638 1.00 0.21 H new ATOM 371 N ILE A 26 124.107 -3.248 -0.380 1.00 0.20 N ATOM 372 CA ILE A 26 124.034 -2.637 -1.743 1.00 0.21 C ATOM 373 C ILE A 26 123.108 -3.501 -2.598 1.00 0.23 C ATOM 374 O ILE A 26 123.399 -4.648 -2.868 1.00 0.25 O ATOM 375 CB ILE A 26 125.433 -2.619 -2.369 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.425 -1.939 -1.411 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.394 -1.854 -3.695 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.896 -0.566 -0.978 1.00 0.24 C ATOM 0 H ILE A 26 124.748 -4.037 -0.295 1.00 0.20 H new ATOM 0 HA ILE A 26 123.657 -1.616 -1.683 1.00 0.21 H new ATOM 0 HB ILE A 26 125.756 -3.644 -2.551 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.583 -2.568 -0.535 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.392 -1.825 -1.900 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.390 -1.843 -4.138 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.699 -2.344 -4.377 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.065 -0.830 -3.515 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.610 -0.098 -0.300 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.762 0.066 -1.856 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.940 -0.688 -0.470 1.00 0.24 H new ATOM 390 N GLY A 27 121.990 -2.975 -3.029 1.00 0.24 N ATOM 391 CA GLY A 27 121.059 -3.786 -3.864 1.00 0.28 C ATOM 392 C GLY A 27 121.424 -3.632 -5.340 1.00 0.28 C ATOM 393 O GLY A 27 122.269 -2.839 -5.704 1.00 0.27 O ATOM 0 H GLY A 27 121.684 -2.021 -2.838 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.114 -4.835 -3.573 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.031 -3.463 -3.698 1.00 0.28 H new ATOM 397 N GLU A 28 120.800 -4.397 -6.191 1.00 0.30 N ATOM 398 CA GLU A 28 121.125 -4.301 -7.641 1.00 0.32 C ATOM 399 C GLU A 28 120.943 -2.859 -8.122 1.00 0.32 C ATOM 400 O GLU A 28 121.726 -2.359 -8.904 1.00 0.34 O ATOM 401 CB GLU A 28 120.200 -5.228 -8.438 1.00 0.36 C ATOM 402 CG GLU A 28 120.574 -6.687 -8.165 1.00 0.39 C ATOM 403 CD GLU A 28 121.926 -6.995 -8.812 1.00 1.28 C ATOM 404 OE1 GLU A 28 122.324 -6.246 -9.691 1.00 2.01 O ATOM 405 OE2 GLU A 28 122.541 -7.974 -8.420 1.00 1.65 O ATOM 0 H GLU A 28 120.083 -5.081 -5.948 1.00 0.30 H new ATOM 0 HA GLU A 28 122.161 -4.602 -7.795 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.162 -5.050 -8.158 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.284 -5.014 -9.503 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.623 -6.866 -7.091 1.00 0.39 H new ATOM 0 HG3 GLU A 28 119.808 -7.351 -8.564 1.00 0.39 H new ATOM 412 N VAL A 29 119.921 -2.185 -7.671 1.00 0.31 N ATOM 413 CA VAL A 29 119.701 -0.779 -8.121 1.00 0.33 C ATOM 414 C VAL A 29 120.836 0.113 -7.606 1.00 0.33 C ATOM 415 O VAL A 29 121.356 0.948 -8.320 1.00 0.35 O ATOM 416 CB VAL A 29 118.360 -0.276 -7.574 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.221 1.228 -7.826 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.215 -1.016 -8.271 1.00 0.35 C ATOM 0 H VAL A 29 119.230 -2.544 -7.012 1.00 0.31 H new ATOM 0 HA VAL A 29 119.686 -0.744 -9.210 1.00 0.33 H new ATOM 0 HB VAL A 29 118.320 -0.464 -6.501 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.265 1.576 -7.434 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.032 1.757 -7.326 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.266 1.423 -8.897 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.261 -0.659 -7.883 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.262 -0.831 -9.344 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.306 -2.086 -8.083 1.00 0.35 H new ATOM 428 N LEU A 30 121.210 -0.045 -6.368 1.00 0.32 N ATOM 429 CA LEU A 30 122.296 0.805 -5.798 1.00 0.32 C ATOM 430 C LEU A 30 123.611 0.521 -6.523 1.00 0.32 C ATOM 431 O LEU A 30 124.425 1.404 -6.718 1.00 0.33 O ATOM 432 CB LEU A 30 122.459 0.516 -4.301 1.00 0.32 C ATOM 433 CG LEU A 30 121.151 0.826 -3.553 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.344 0.528 -2.063 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.771 2.310 -3.733 1.00 0.40 C ATOM 0 H LEU A 30 120.811 -0.727 -5.723 1.00 0.32 H new ATOM 0 HA LEU A 30 122.030 1.854 -5.931 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.732 -0.529 -4.153 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.271 1.118 -3.893 1.00 0.32 H new ATOM 0 HG LEU A 30 120.351 0.206 -3.958 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.421 0.745 -1.526 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.601 -0.523 -1.932 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.148 1.150 -1.669 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.844 2.515 -3.199 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.566 2.940 -3.335 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.634 2.525 -4.793 1.00 0.40 H new ATOM 447 N GLY A 31 123.829 -0.696 -6.930 1.00 0.33 N ATOM 448 CA GLY A 31 125.095 -1.014 -7.647 1.00 0.34 C ATOM 449 C GLY A 31 125.185 -0.151 -8.906 1.00 0.35 C ATOM 450 O GLY A 31 126.236 0.353 -9.250 1.00 0.35 O ATOM 0 H GLY A 31 123.191 -1.481 -6.799 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.952 -0.826 -7.000 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.122 -2.071 -7.912 1.00 0.34 H new ATOM 454 N LYS A 32 124.087 0.036 -9.592 1.00 0.35 N ATOM 455 CA LYS A 32 124.114 0.880 -10.822 1.00 0.37 C ATOM 456 C LYS A 32 124.494 2.318 -10.450 1.00 0.36 C ATOM 457 O LYS A 32 125.213 2.981 -11.172 1.00 0.38 O ATOM 458 CB LYS A 32 122.729 0.870 -11.503 1.00 0.39 C ATOM 459 CG LYS A 32 122.568 -0.367 -12.404 1.00 1.18 C ATOM 460 CD LYS A 32 122.286 -1.604 -11.554 1.00 1.37 C ATOM 461 CE LYS A 32 122.164 -2.827 -12.465 1.00 2.06 C ATOM 462 NZ LYS A 32 122.075 -4.061 -11.635 1.00 2.74 N ATOM 0 H LYS A 32 123.177 -0.358 -9.354 1.00 0.35 H new ATOM 0 HA LYS A 32 124.852 0.475 -11.514 1.00 0.37 H new ATOM 0 HB2 LYS A 32 121.946 0.876 -10.744 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.605 1.776 -12.097 1.00 0.39 H new ATOM 0 HG2 LYS A 32 121.753 -0.208 -13.110 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.474 -0.519 -12.991 1.00 1.18 H new ATOM 0 HD2 LYS A 32 123.088 -1.753 -10.831 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.366 -1.467 -10.985 1.00 1.37 H new ATOM 0 HE2 LYS A 32 121.280 -2.736 -13.096 1.00 2.06 H new ATOM 0 HE3 LYS A 32 123.026 -2.885 -13.130 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 122.944 -4.621 -11.751 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 121.963 -3.799 -10.635 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 121.256 -4.626 -11.939 1.00 2.74 H new ATOM 476 N LYS A 33 124.013 2.820 -9.345 1.00 0.35 N ATOM 477 CA LYS A 33 124.353 4.222 -8.972 1.00 0.36 C ATOM 478 C LYS A 33 125.838 4.302 -8.622 1.00 0.34 C ATOM 479 O LYS A 33 126.569 5.105 -9.166 1.00 0.36 O ATOM 480 CB LYS A 33 123.528 4.640 -7.751 1.00 0.36 C ATOM 481 CG LYS A 33 122.029 4.528 -8.059 1.00 0.39 C ATOM 482 CD LYS A 33 121.603 5.610 -9.061 1.00 0.64 C ATOM 483 CE LYS A 33 120.077 5.738 -9.055 1.00 0.65 C ATOM 484 NZ LYS A 33 119.472 4.470 -9.552 1.00 1.54 N ATOM 0 H LYS A 33 123.406 2.326 -8.691 1.00 0.35 H new ATOM 0 HA LYS A 33 124.132 4.885 -9.808 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.780 4.008 -6.900 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.773 5.664 -7.471 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.808 3.541 -8.465 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.454 4.630 -7.139 1.00 0.39 H new ATOM 0 HD2 LYS A 33 122.060 6.564 -8.798 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.953 5.353 -10.061 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.723 5.952 -8.047 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.769 6.572 -9.685 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.451 4.605 -9.694 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.915 4.205 -10.455 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.628 3.714 -8.855 1.00 1.54 H new ATOM 498 N LEU A 34 126.298 3.468 -7.734 1.00 0.32 N ATOM 499 CA LEU A 34 127.742 3.499 -7.379 1.00 0.31 C ATOM 500 C LEU A 34 128.557 3.202 -8.644 1.00 0.31 C ATOM 501 O LEU A 34 129.584 3.800 -8.896 1.00 0.33 O ATOM 502 CB LEU A 34 128.019 2.452 -6.294 1.00 0.29 C ATOM 503 CG LEU A 34 127.269 2.823 -5.005 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.370 1.659 -4.015 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.879 4.092 -4.373 1.00 0.34 C ATOM 0 H LEU A 34 125.741 2.770 -7.241 1.00 0.32 H new ATOM 0 HA LEU A 34 128.024 4.478 -6.991 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.703 1.467 -6.638 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.090 2.393 -6.098 1.00 0.29 H new ATOM 0 HG LEU A 34 126.224 3.020 -5.244 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.840 1.915 -3.097 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.924 0.767 -4.455 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.418 1.465 -3.787 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.336 4.341 -3.461 1.00 0.34 H new ATOM 0 HD22 LEU A 34 128.927 3.912 -4.134 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.805 4.921 -5.077 1.00 0.34 H new ATOM 517 N GLU A 35 128.090 2.279 -9.440 1.00 0.32 N ATOM 518 CA GLU A 35 128.824 1.938 -10.696 1.00 0.34 C ATOM 519 C GLU A 35 128.916 3.184 -11.580 1.00 0.37 C ATOM 520 O GLU A 35 129.941 3.470 -12.166 1.00 0.39 O ATOM 521 CB GLU A 35 128.074 0.829 -11.438 1.00 0.35 C ATOM 522 CG GLU A 35 128.817 0.470 -12.728 1.00 0.93 C ATOM 523 CD GLU A 35 128.108 -0.699 -13.414 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.128 -1.176 -12.866 1.00 1.36 O ATOM 525 OE2 GLU A 35 128.556 -1.098 -14.477 1.00 1.67 O ATOM 0 H GLU A 35 127.235 1.747 -9.277 1.00 0.32 H new ATOM 0 HA GLU A 35 129.829 1.591 -10.454 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.986 -0.051 -10.801 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.061 1.156 -11.671 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.849 1.332 -13.394 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.850 0.202 -12.504 1.00 0.93 H new ATOM 532 N GLU A 36 127.849 3.928 -11.670 1.00 0.39 N ATOM 533 CA GLU A 36 127.859 5.164 -12.504 1.00 0.43 C ATOM 534 C GLU A 36 128.820 6.171 -11.872 1.00 0.45 C ATOM 535 O GLU A 36 129.281 7.098 -12.509 1.00 0.49 O ATOM 536 CB GLU A 36 126.448 5.755 -12.548 1.00 0.45 C ATOM 537 CG GLU A 36 126.418 6.950 -13.504 1.00 1.12 C ATOM 538 CD GLU A 36 125.005 7.535 -13.542 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.110 6.910 -12.998 1.00 2.00 O ATOM 540 OE2 GLU A 36 124.842 8.602 -14.113 1.00 1.86 O ATOM 0 H GLU A 36 126.965 3.733 -11.199 1.00 0.39 H new ATOM 0 HA GLU A 36 128.182 4.932 -13.519 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.736 4.997 -12.875 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.143 6.068 -11.549 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.129 7.709 -13.177 1.00 1.12 H new ATOM 0 HG3 GLU A 36 126.721 6.638 -14.503 1.00 1.12 H new ATOM 547 N ARG A 37 129.112 5.996 -10.615 1.00 0.42 N ATOM 548 CA ARG A 37 130.031 6.943 -9.917 1.00 0.45 C ATOM 549 C ARG A 37 131.480 6.451 -10.020 1.00 0.42 C ATOM 550 O ARG A 37 132.384 7.060 -9.481 1.00 0.43 O ATOM 551 CB ARG A 37 129.624 7.053 -8.444 1.00 0.45 C ATOM 552 CG ARG A 37 128.300 7.822 -8.327 1.00 0.53 C ATOM 553 CD ARG A 37 128.491 9.300 -8.727 1.00 0.86 C ATOM 554 NE ARG A 37 127.591 10.166 -7.897 1.00 1.42 N ATOM 555 CZ ARG A 37 126.323 9.883 -7.748 1.00 1.88 C ATOM 556 NH1 ARG A 37 125.765 8.940 -8.455 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.597 10.586 -6.922 1.00 2.69 N ATOM 0 H ARG A 37 128.754 5.236 -10.037 1.00 0.42 H new ATOM 0 HA ARG A 37 129.961 7.922 -10.390 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.517 6.058 -8.011 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.403 7.564 -7.879 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.548 7.361 -8.967 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.928 7.762 -7.304 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.530 9.595 -8.583 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.266 9.433 -9.785 1.00 0.86 H new ATOM 0 HE ARG A 37 127.976 10.992 -7.439 1.00 1.42 H new ATOM 0 HH11 ARG A 37 126.318 8.415 -9.132 1.00 2.15 H new ATOM 0 HH12 ARG A 37 124.775 8.727 -8.331 1.00 2.15 H new ATOM 0 HH21 ARG A 37 126.019 11.352 -6.397 1.00 2.69 H new ATOM 0 HH22 ARG A 37 124.607 10.370 -6.802 1.00 2.69 H new ATOM 571 N GLY A 38 131.722 5.380 -10.741 1.00 0.40 N ATOM 572 CA GLY A 38 133.130 4.887 -10.914 1.00 0.39 C ATOM 573 C GLY A 38 133.436 3.715 -9.978 1.00 0.37 C ATOM 574 O GLY A 38 134.565 3.274 -9.892 1.00 0.48 O ATOM 0 H GLY A 38 131.009 4.827 -11.216 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.283 4.577 -11.948 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.828 5.701 -10.718 1.00 0.39 H new ATOM 578 N PHE A 39 132.458 3.187 -9.288 1.00 0.31 N ATOM 579 CA PHE A 39 132.711 2.028 -8.374 1.00 0.28 C ATOM 580 C PHE A 39 132.170 0.761 -9.039 1.00 0.28 C ATOM 581 O PHE A 39 131.132 0.247 -8.672 1.00 0.28 O ATOM 582 CB PHE A 39 131.958 2.260 -7.069 1.00 0.27 C ATOM 583 CG PHE A 39 132.569 3.417 -6.322 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.106 4.713 -6.559 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.590 3.198 -5.392 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.664 5.795 -5.871 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.150 4.279 -4.701 1.00 0.30 C ATOM 588 CZ PHE A 39 133.687 5.578 -4.941 1.00 0.32 C ATOM 0 H PHE A 39 131.490 3.509 -9.317 1.00 0.31 H new ATOM 0 HA PHE A 39 133.778 1.925 -8.176 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.908 2.464 -7.277 1.00 0.27 H new ATOM 0 HB3 PHE A 39 131.992 1.360 -6.454 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.315 4.880 -7.275 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.946 2.195 -5.207 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.306 6.797 -6.057 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.939 4.111 -3.983 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.119 6.412 -4.409 1.00 0.32 H new ATOM 598 N ASP A 40 132.849 0.280 -10.042 1.00 0.30 N ATOM 599 CA ASP A 40 132.359 -0.926 -10.766 1.00 0.31 C ATOM 600 C ASP A 40 132.649 -2.202 -9.971 1.00 0.29 C ATOM 601 O ASP A 40 132.175 -3.265 -10.317 1.00 0.30 O ATOM 602 CB ASP A 40 133.056 -1.005 -12.125 1.00 0.35 C ATOM 603 CG ASP A 40 134.572 -1.023 -11.919 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.023 -0.456 -10.937 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.255 -1.603 -12.746 1.00 0.41 O ATOM 0 H ASP A 40 133.724 0.670 -10.393 1.00 0.30 H new ATOM 0 HA ASP A 40 131.280 -0.842 -10.895 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.740 -1.902 -12.657 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.772 -0.152 -12.742 1.00 0.35 H new ATOM 610 N LYS A 41 133.424 -2.118 -8.916 1.00 0.28 N ATOM 611 CA LYS A 41 133.738 -3.346 -8.111 1.00 0.28 C ATOM 612 C LYS A 41 133.667 -3.035 -6.611 1.00 0.23 C ATOM 613 O LYS A 41 133.750 -1.899 -6.189 1.00 0.23 O ATOM 614 CB LYS A 41 135.126 -3.856 -8.503 1.00 0.34 C ATOM 615 CG LYS A 41 135.051 -4.424 -9.925 1.00 0.48 C ATOM 616 CD LYS A 41 136.422 -4.940 -10.361 1.00 0.74 C ATOM 617 CE LYS A 41 136.284 -5.689 -11.686 1.00 0.71 C ATOM 618 NZ LYS A 41 135.379 -4.929 -12.594 1.00 1.56 N ATOM 0 H LYS A 41 133.852 -1.257 -8.577 1.00 0.28 H new ATOM 0 HA LYS A 41 133.002 -4.122 -8.321 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.854 -3.046 -8.456 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.458 -4.624 -7.805 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.321 -5.233 -9.963 1.00 0.48 H new ATOM 0 HG3 LYS A 41 134.709 -3.653 -10.615 1.00 0.48 H new ATOM 0 HD2 LYS A 41 137.118 -4.108 -10.471 1.00 0.74 H new ATOM 0 HD3 LYS A 41 136.834 -5.601 -9.598 1.00 0.74 H new ATOM 0 HE2 LYS A 41 137.263 -5.812 -12.150 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.886 -6.689 -11.511 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 135.541 -5.229 -13.576 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 134.390 -5.115 -12.334 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 135.574 -3.911 -12.506 1.00 1.56 H new ATOM 632 N ALA A 42 133.477 -4.053 -5.814 1.00 0.21 N ATOM 633 CA ALA A 42 133.352 -3.865 -4.334 1.00 0.20 C ATOM 634 C ALA A 42 134.649 -3.348 -3.701 1.00 0.18 C ATOM 635 O ALA A 42 134.615 -2.515 -2.816 1.00 0.18 O ATOM 636 CB ALA A 42 132.990 -5.209 -3.700 1.00 0.21 C ATOM 0 H ALA A 42 133.402 -5.021 -6.128 1.00 0.21 H new ATOM 0 HA ALA A 42 132.578 -3.119 -4.154 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.895 -5.088 -2.621 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.044 -5.562 -4.110 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.773 -5.936 -3.917 1.00 0.21 H new ATOM 642 N TYR A 43 135.783 -3.847 -4.097 1.00 0.19 N ATOM 643 CA TYR A 43 137.047 -3.386 -3.452 1.00 0.18 C ATOM 644 C TYR A 43 137.217 -1.868 -3.628 1.00 0.17 C ATOM 645 O TYR A 43 137.972 -1.239 -2.912 1.00 0.17 O ATOM 646 CB TYR A 43 138.255 -4.144 -4.030 1.00 0.20 C ATOM 647 CG TYR A 43 138.686 -3.549 -5.349 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.439 -2.372 -5.360 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.346 -4.175 -6.552 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.854 -1.819 -6.570 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.761 -3.620 -7.766 1.00 0.28 C ATOM 652 CZ TYR A 43 139.516 -2.441 -7.776 1.00 0.28 C ATOM 653 OH TYR A 43 139.925 -1.894 -8.975 1.00 0.32 O ATOM 0 H TYR A 43 135.893 -4.547 -4.831 1.00 0.19 H new ATOM 0 HA TYR A 43 136.991 -3.601 -2.385 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.084 -4.108 -3.323 1.00 0.20 H new ATOM 0 HB3 TYR A 43 137.998 -5.194 -4.167 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.700 -1.890 -4.429 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.764 -5.085 -6.543 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.437 -0.910 -6.576 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.499 -4.101 -8.697 1.00 0.28 H new ATOM 0 HH TYR A 43 139.606 -2.452 -9.715 1.00 0.32 H new ATOM 663 N VAL A 44 136.519 -1.270 -4.555 1.00 0.18 N ATOM 664 CA VAL A 44 136.645 0.207 -4.740 1.00 0.18 C ATOM 665 C VAL A 44 135.790 0.900 -3.673 1.00 0.17 C ATOM 666 O VAL A 44 136.098 1.973 -3.188 1.00 0.18 O ATOM 667 CB VAL A 44 136.155 0.598 -6.138 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.456 2.079 -6.399 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.870 -0.258 -7.186 1.00 0.24 C ATOM 0 H VAL A 44 135.870 -1.736 -5.190 1.00 0.18 H new ATOM 0 HA VAL A 44 137.687 0.512 -4.640 1.00 0.18 H new ATOM 0 HB VAL A 44 135.079 0.433 -6.201 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.105 2.352 -7.394 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.946 2.691 -5.655 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.531 2.249 -6.334 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.522 0.019 -8.181 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.945 -0.093 -7.118 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.652 -1.311 -7.006 1.00 0.24 H new ATOM 679 N VAL A 45 134.716 0.257 -3.305 1.00 0.17 N ATOM 680 CA VAL A 45 133.810 0.821 -2.266 1.00 0.17 C ATOM 681 C VAL A 45 134.461 0.596 -0.901 1.00 0.16 C ATOM 682 O VAL A 45 134.418 1.447 -0.035 1.00 0.16 O ATOM 683 CB VAL A 45 132.449 0.122 -2.328 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.607 0.520 -1.111 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.718 0.527 -3.616 1.00 0.20 C ATOM 0 H VAL A 45 134.425 -0.644 -3.684 1.00 0.17 H new ATOM 0 HA VAL A 45 133.652 1.886 -2.434 1.00 0.17 H new ATOM 0 HB VAL A 45 132.600 -0.958 -2.323 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.639 0.021 -1.159 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.124 0.223 -0.198 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.458 1.600 -1.109 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.750 0.028 -3.657 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.570 1.607 -3.626 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.314 0.234 -4.480 1.00 0.20 H new ATOM 695 N LEU A 46 135.101 -0.526 -0.717 1.00 0.17 N ATOM 696 CA LEU A 46 135.796 -0.775 0.574 1.00 0.18 C ATOM 697 C LEU A 46 136.839 0.323 0.746 1.00 0.17 C ATOM 698 O LEU A 46 137.072 0.818 1.830 1.00 0.18 O ATOM 699 CB LEU A 46 136.479 -2.152 0.536 1.00 0.22 C ATOM 700 CG LEU A 46 137.349 -2.350 1.788 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.503 -2.171 3.055 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.947 -3.758 1.771 1.00 0.35 C ATOM 0 H LEU A 46 135.172 -1.278 -1.403 1.00 0.17 H new ATOM 0 HA LEU A 46 135.091 -0.767 1.405 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.726 -2.938 0.480 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.094 -2.236 -0.360 1.00 0.22 H new ATOM 0 HG LEU A 46 138.148 -1.608 1.787 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.131 -2.314 3.935 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.079 -1.167 3.071 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.697 -2.905 3.061 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.565 -3.902 2.658 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.143 -4.495 1.765 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.560 -3.882 0.878 1.00 0.35 H new ATOM 714 N GLY A 47 137.466 0.705 -0.331 1.00 0.17 N ATOM 715 CA GLY A 47 138.501 1.769 -0.268 1.00 0.18 C ATOM 716 C GLY A 47 137.907 3.041 0.342 1.00 0.18 C ATOM 717 O GLY A 47 138.502 3.656 1.202 1.00 0.18 O ATOM 0 H GLY A 47 137.302 0.320 -1.261 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.347 1.430 0.330 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.881 1.978 -1.268 1.00 0.18 H new ATOM 721 N GLN A 48 136.736 3.441 -0.081 1.00 0.17 N ATOM 722 CA GLN A 48 136.129 4.675 0.503 1.00 0.18 C ATOM 723 C GLN A 48 135.946 4.479 2.013 1.00 0.17 C ATOM 724 O GLN A 48 136.234 5.355 2.804 1.00 0.18 O ATOM 725 CB GLN A 48 134.767 4.936 -0.145 1.00 0.19 C ATOM 726 CG GLN A 48 134.244 6.310 0.285 1.00 0.22 C ATOM 727 CD GLN A 48 135.127 7.408 -0.313 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.188 7.568 -1.516 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.822 8.176 0.481 1.00 1.09 N ATOM 0 H GLN A 48 136.179 2.974 -0.797 1.00 0.17 H new ATOM 0 HA GLN A 48 136.784 5.526 0.318 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.856 4.894 -1.231 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.060 4.160 0.147 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.214 6.438 -0.047 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.241 6.385 1.372 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.772 8.043 1.491 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.415 8.909 0.091 1.00 1.09 H new ATOM 738 N PHE A 49 135.488 3.325 2.414 1.00 0.17 N ATOM 739 CA PHE A 49 135.302 3.047 3.869 1.00 0.17 C ATOM 740 C PHE A 49 136.654 3.176 4.572 1.00 0.18 C ATOM 741 O PHE A 49 136.757 3.710 5.660 1.00 0.19 O ATOM 742 CB PHE A 49 134.771 1.621 4.021 1.00 0.17 C ATOM 743 CG PHE A 49 134.673 1.249 5.479 1.00 0.19 C ATOM 744 CD1 PHE A 49 135.768 0.656 6.119 1.00 0.28 C ATOM 745 CD2 PHE A 49 133.492 1.487 6.190 1.00 0.23 C ATOM 746 CE1 PHE A 49 135.683 0.301 7.470 1.00 0.31 C ATOM 747 CE2 PHE A 49 133.406 1.131 7.540 1.00 0.26 C ATOM 748 CZ PHE A 49 134.501 0.538 8.180 1.00 0.26 C ATOM 0 H PHE A 49 135.233 2.557 1.793 1.00 0.17 H new ATOM 0 HA PHE A 49 134.598 3.752 4.311 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.791 1.539 3.552 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.431 0.924 3.505 1.00 0.17 H new ATOM 0 HD1 PHE A 49 136.679 0.472 5.569 1.00 0.28 H new ATOM 0 HD2 PHE A 49 132.647 1.945 5.697 1.00 0.23 H new ATOM 0 HE1 PHE A 49 136.528 -0.155 7.964 1.00 0.31 H new ATOM 0 HE2 PHE A 49 132.494 1.314 8.089 1.00 0.26 H new ATOM 0 HZ PHE A 49 134.433 0.263 9.222 1.00 0.26 H new ATOM 758 N LEU A 50 137.681 2.689 3.953 1.00 0.19 N ATOM 759 CA LEU A 50 139.032 2.775 4.577 1.00 0.21 C ATOM 760 C LEU A 50 139.473 4.249 4.588 1.00 0.21 C ATOM 761 O LEU A 50 140.089 4.714 5.526 1.00 0.23 O ATOM 762 CB LEU A 50 140.014 1.912 3.773 1.00 0.23 C ATOM 763 CG LEU A 50 139.584 0.432 3.847 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.397 -0.393 2.840 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.813 -0.127 5.265 1.00 0.28 C ATOM 0 H LEU A 50 137.651 2.233 3.041 1.00 0.19 H new ATOM 0 HA LEU A 50 139.010 2.405 5.602 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.038 2.243 2.735 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.023 2.028 4.168 1.00 0.23 H new ATOM 0 HG LEU A 50 138.523 0.367 3.608 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.091 -1.438 2.895 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.220 -0.015 1.833 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.458 -0.313 3.076 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.504 -1.172 5.298 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.870 -0.053 5.519 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.227 0.448 5.982 1.00 0.28 H new ATOM 777 N VAL A 51 139.168 4.978 3.550 1.00 0.21 N ATOM 778 CA VAL A 51 139.572 6.421 3.488 1.00 0.23 C ATOM 779 C VAL A 51 138.818 7.240 4.551 1.00 0.23 C ATOM 780 O VAL A 51 139.249 8.306 4.942 1.00 0.24 O ATOM 781 CB VAL A 51 139.257 6.978 2.090 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.427 8.501 2.075 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.214 6.361 1.068 1.00 0.27 C ATOM 0 H VAL A 51 138.654 4.640 2.736 1.00 0.21 H new ATOM 0 HA VAL A 51 140.641 6.496 3.685 1.00 0.23 H new ATOM 0 HB VAL A 51 138.227 6.728 1.837 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.201 8.883 1.079 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.747 8.950 2.799 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.454 8.755 2.336 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.991 6.755 0.077 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.241 6.610 1.335 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.092 5.278 1.063 1.00 0.27 H new ATOM 793 N LEU A 52 137.688 6.762 5.006 1.00 0.22 N ATOM 794 CA LEU A 52 136.903 7.536 6.027 1.00 0.23 C ATOM 795 C LEU A 52 137.295 7.113 7.444 1.00 0.23 C ATOM 796 O LEU A 52 136.613 7.432 8.397 1.00 0.24 O ATOM 797 CB LEU A 52 135.401 7.304 5.828 1.00 0.24 C ATOM 798 CG LEU A 52 134.937 7.881 4.480 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.439 7.605 4.316 1.00 0.31 C ATOM 800 CD2 LEU A 52 135.191 9.403 4.424 1.00 0.27 C ATOM 0 H LEU A 52 137.273 5.875 4.720 1.00 0.22 H new ATOM 0 HA LEU A 52 137.129 8.594 5.896 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.184 6.236 5.866 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.845 7.772 6.640 1.00 0.24 H new ATOM 0 HG LEU A 52 135.499 7.408 3.675 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.097 8.009 3.363 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.263 6.530 4.338 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.890 8.079 5.130 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.856 9.793 3.463 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.640 9.894 5.226 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.257 9.599 4.543 1.00 0.27 H new ATOM 812 N LYS A 53 138.388 6.427 7.610 1.00 0.22 N ATOM 813 CA LYS A 53 138.806 6.026 8.984 1.00 0.23 C ATOM 814 C LYS A 53 137.626 5.430 9.759 1.00 0.24 C ATOM 815 O LYS A 53 137.433 5.724 10.921 1.00 0.30 O ATOM 816 CB LYS A 53 139.341 7.248 9.727 1.00 0.29 C ATOM 817 CG LYS A 53 140.680 7.662 9.115 1.00 0.38 C ATOM 818 CD LYS A 53 141.163 8.962 9.762 1.00 0.49 C ATOM 819 CE LYS A 53 141.368 8.757 11.270 1.00 0.90 C ATOM 820 NZ LYS A 53 142.349 9.760 11.773 1.00 1.70 N ATOM 0 H LYS A 53 139.009 6.126 6.859 1.00 0.22 H new ATOM 0 HA LYS A 53 139.586 5.268 8.905 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.628 8.070 9.661 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.466 7.019 10.785 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.418 6.874 9.264 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.572 7.798 8.039 1.00 0.38 H new ATOM 0 HD2 LYS A 53 142.097 9.282 9.300 1.00 0.49 H new ATOM 0 HD3 LYS A 53 140.435 9.755 9.591 1.00 0.49 H new ATOM 0 HE2 LYS A 53 140.419 8.864 11.796 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.729 7.747 11.466 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 143.045 9.288 12.385 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 142.839 10.201 10.968 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 141.849 10.492 12.317 1.00 1.70 H new ATOM 834 N LYS A 54 136.839 4.594 9.124 1.00 0.22 N ATOM 835 CA LYS A 54 135.671 3.958 9.809 1.00 0.25 C ATOM 836 C LYS A 54 134.723 5.029 10.353 1.00 0.27 C ATOM 837 O LYS A 54 133.914 4.755 11.218 1.00 0.33 O ATOM 838 CB LYS A 54 136.146 3.080 10.976 1.00 0.35 C ATOM 839 CG LYS A 54 137.043 1.957 10.456 1.00 0.67 C ATOM 840 CD LYS A 54 137.505 1.097 11.636 1.00 0.83 C ATOM 841 CE LYS A 54 138.404 -0.033 11.132 1.00 1.41 C ATOM 842 NZ LYS A 54 139.741 0.518 10.774 1.00 2.24 N ATOM 0 H LYS A 54 136.959 4.323 8.148 1.00 0.22 H new ATOM 0 HA LYS A 54 135.147 3.342 9.077 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.691 3.686 11.699 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.287 2.658 11.497 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.500 1.346 9.735 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.905 2.375 9.935 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.046 1.711 12.356 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.641 0.683 12.156 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.508 -0.799 11.900 1.00 1.41 H new ATOM 0 HE3 LYS A 54 137.952 -0.512 10.264 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.406 -0.264 10.611 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.660 1.090 9.909 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 140.091 1.113 11.552 1.00 2.24 H new ATOM 856 N ASP A 55 134.779 6.234 9.860 1.00 0.29 N ATOM 857 CA ASP A 55 133.833 7.259 10.382 1.00 0.39 C ATOM 858 C ASP A 55 132.425 6.878 9.909 1.00 0.37 C ATOM 859 O ASP A 55 132.080 7.017 8.754 1.00 0.37 O ATOM 860 CB ASP A 55 134.219 8.639 9.856 1.00 0.46 C ATOM 861 CG ASP A 55 133.259 9.689 10.420 1.00 1.18 C ATOM 862 OD1 ASP A 55 132.080 9.393 10.522 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.718 10.774 10.734 1.00 1.55 O ATOM 0 H ASP A 55 135.423 6.550 9.135 1.00 0.29 H new ATOM 0 HA ASP A 55 133.866 7.294 11.471 1.00 0.39 H new ATOM 0 HB2 ASP A 55 135.243 8.876 10.144 1.00 0.46 H new ATOM 0 HB3 ASP A 55 134.184 8.647 8.767 1.00 0.46 H new ATOM 868 N GLU A 56 131.632 6.354 10.802 1.00 0.38 N ATOM 869 CA GLU A 56 130.254 5.899 10.448 1.00 0.37 C ATOM 870 C GLU A 56 129.362 7.037 9.929 1.00 0.38 C ATOM 871 O GLU A 56 128.586 6.846 9.016 1.00 0.37 O ATOM 872 CB GLU A 56 129.615 5.283 11.694 1.00 0.39 C ATOM 873 CG GLU A 56 128.211 4.772 11.361 1.00 0.41 C ATOM 874 CD GLU A 56 127.668 3.979 12.552 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.372 3.880 13.542 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.560 3.478 12.447 1.00 0.85 O ATOM 0 H GLU A 56 131.884 6.219 11.781 1.00 0.38 H new ATOM 0 HA GLU A 56 130.340 5.172 9.641 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.232 4.463 12.062 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.562 6.025 12.491 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.551 5.609 11.135 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.242 4.141 10.473 1.00 0.41 H new ATOM 883 N ASP A 57 129.434 8.207 10.502 1.00 0.40 N ATOM 884 CA ASP A 57 128.550 9.316 10.024 1.00 0.41 C ATOM 885 C ASP A 57 128.984 9.785 8.636 1.00 0.40 C ATOM 886 O ASP A 57 128.166 10.056 7.779 1.00 0.40 O ATOM 887 CB ASP A 57 128.648 10.493 10.999 1.00 0.45 C ATOM 888 CG ASP A 57 127.974 10.127 12.321 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.159 9.221 12.318 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.290 10.758 13.317 1.00 0.73 O ATOM 0 H ASP A 57 130.058 8.445 11.273 1.00 0.40 H new ATOM 0 HA ASP A 57 127.524 8.951 9.972 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.694 10.748 11.172 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.172 11.374 10.569 1.00 0.45 H new ATOM 895 N LEU A 58 130.250 9.868 8.401 1.00 0.40 N ATOM 896 CA LEU A 58 130.706 10.304 7.054 1.00 0.40 C ATOM 897 C LEU A 58 130.415 9.195 6.047 1.00 0.37 C ATOM 898 O LEU A 58 129.991 9.445 4.936 1.00 0.38 O ATOM 899 CB LEU A 58 132.202 10.610 7.071 1.00 0.40 C ATOM 900 CG LEU A 58 132.485 11.760 8.047 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.001 11.949 8.182 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.839 13.065 7.535 1.00 0.55 C ATOM 0 H LEU A 58 130.989 9.657 9.071 1.00 0.40 H new ATOM 0 HA LEU A 58 130.172 11.211 6.770 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.761 9.723 7.368 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.539 10.879 6.070 1.00 0.40 H new ATOM 0 HG LEU A 58 132.058 11.517 9.020 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.206 12.765 8.875 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.450 11.031 8.561 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.426 12.186 7.207 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.047 13.873 8.236 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.252 13.317 6.558 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.761 12.928 7.449 1.00 0.55 H new ATOM 914 N PHE A 59 130.627 7.965 6.433 1.00 0.36 N ATOM 915 CA PHE A 59 130.345 6.841 5.501 1.00 0.35 C ATOM 916 C PHE A 59 128.858 6.814 5.147 1.00 0.35 C ATOM 917 O PHE A 59 128.485 6.731 3.992 1.00 0.35 O ATOM 918 CB PHE A 59 130.727 5.515 6.161 1.00 0.34 C ATOM 919 CG PHE A 59 130.383 4.382 5.224 1.00 0.33 C ATOM 920 CD1 PHE A 59 129.113 3.796 5.276 1.00 0.36 C ATOM 921 CD2 PHE A 59 131.326 3.927 4.295 1.00 0.35 C ATOM 922 CE1 PHE A 59 128.785 2.755 4.403 1.00 0.38 C ATOM 923 CE2 PHE A 59 130.997 2.885 3.419 1.00 0.36 C ATOM 924 CZ PHE A 59 129.728 2.299 3.474 1.00 0.36 C ATOM 0 H PHE A 59 130.982 7.693 7.350 1.00 0.36 H new ATOM 0 HA PHE A 59 130.931 6.982 4.593 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.792 5.502 6.392 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.195 5.397 7.105 1.00 0.34 H new ATOM 0 HD1 PHE A 59 128.385 4.149 5.992 1.00 0.36 H new ATOM 0 HD2 PHE A 59 132.306 4.379 4.254 1.00 0.35 H new ATOM 0 HE1 PHE A 59 127.805 2.303 4.445 1.00 0.38 H new ATOM 0 HE2 PHE A 59 131.723 2.534 2.701 1.00 0.36 H new ATOM 0 HZ PHE A 59 129.476 1.494 2.799 1.00 0.36 H new ATOM 934 N ARG A 60 128.000 6.866 6.136 1.00 0.37 N ATOM 935 CA ARG A 60 126.538 6.822 5.852 1.00 0.38 C ATOM 936 C ARG A 60 126.128 8.018 4.998 1.00 0.39 C ATOM 937 O ARG A 60 125.377 7.887 4.053 1.00 0.39 O ATOM 938 CB ARG A 60 125.742 6.861 7.160 1.00 0.42 C ATOM 939 CG ARG A 60 125.915 5.548 7.928 1.00 0.43 C ATOM 940 CD ARG A 60 125.057 5.594 9.194 1.00 0.50 C ATOM 941 NE ARG A 60 125.484 6.732 10.053 1.00 1.31 N ATOM 942 CZ ARG A 60 124.680 7.186 10.975 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.484 6.679 11.107 1.00 1.16 N ATOM 944 NH2 ARG A 60 125.064 8.157 11.756 1.00 2.64 N ATOM 0 H ARG A 60 128.250 6.937 7.122 1.00 0.37 H new ATOM 0 HA ARG A 60 126.325 5.896 5.317 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.079 7.696 7.774 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.686 7.029 6.946 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.619 4.705 7.303 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.963 5.400 8.189 1.00 0.43 H new ATOM 0 HD2 ARG A 60 124.006 5.702 8.928 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.152 4.657 9.743 1.00 0.50 H new ATOM 0 HE ARG A 60 126.402 7.156 9.921 1.00 1.31 H new ATOM 0 HH11 ARG A 60 123.178 5.927 10.489 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.856 7.034 11.828 1.00 1.16 H new ATOM 0 HH21 ARG A 60 125.994 8.562 11.646 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.435 8.511 12.476 1.00 2.64 H new ATOM 958 N GLU A 61 126.616 9.184 5.318 1.00 0.41 N ATOM 959 CA GLU A 61 126.254 10.382 4.518 1.00 0.44 C ATOM 960 C GLU A 61 126.804 10.212 3.103 1.00 0.42 C ATOM 961 O GLU A 61 126.161 10.553 2.130 1.00 0.42 O ATOM 962 CB GLU A 61 126.863 11.626 5.168 1.00 0.48 C ATOM 963 CG GLU A 61 126.395 12.877 4.423 1.00 1.29 C ATOM 964 CD GLU A 61 126.966 14.119 5.108 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.997 13.998 5.749 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.363 15.172 4.977 1.00 2.32 O ATOM 0 H GLU A 61 127.249 9.357 6.099 1.00 0.41 H new ATOM 0 HA GLU A 61 125.171 10.495 4.478 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.567 11.683 6.216 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.951 11.564 5.147 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.722 12.839 3.384 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.306 12.922 4.413 1.00 1.29 H new ATOM 973 N TRP A 62 127.986 9.685 2.980 1.00 0.40 N ATOM 974 CA TRP A 62 128.575 9.491 1.626 1.00 0.38 C ATOM 975 C TRP A 62 127.722 8.525 0.798 1.00 0.36 C ATOM 976 O TRP A 62 127.392 8.795 -0.338 1.00 0.36 O ATOM 977 CB TRP A 62 129.996 8.922 1.759 1.00 0.38 C ATOM 978 CG TRP A 62 130.493 8.500 0.410 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.066 9.317 -0.504 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.443 7.177 -0.196 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.376 8.575 -1.632 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.012 7.250 -1.489 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.966 5.929 0.250 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.103 6.125 -2.313 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.058 4.797 -0.576 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.624 4.895 -1.854 1.00 0.32 C ATOM 0 H TRP A 62 128.572 9.379 3.757 1.00 0.40 H new ATOM 0 HA TRP A 62 128.606 10.457 1.121 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.662 9.673 2.185 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.996 8.072 2.441 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.251 10.373 -0.375 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.819 8.960 -2.466 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.527 5.842 1.233 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.540 6.206 -3.297 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.690 3.845 -0.224 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.690 4.020 -2.484 1.00 0.32 H new ATOM 997 N LEU A 63 127.378 7.398 1.349 1.00 0.34 N ATOM 998 CA LEU A 63 126.569 6.414 0.577 1.00 0.32 C ATOM 999 C LEU A 63 125.162 6.966 0.331 1.00 0.33 C ATOM 1000 O LEU A 63 124.658 6.931 -0.775 1.00 0.32 O ATOM 1001 CB LEU A 63 126.486 5.104 1.372 1.00 0.31 C ATOM 1002 CG LEU A 63 125.658 4.062 0.608 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.325 3.730 -0.738 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.550 2.791 1.458 1.00 0.32 C ATOM 0 H LEU A 63 127.620 7.114 2.298 1.00 0.34 H new ATOM 0 HA LEU A 63 127.042 6.230 -0.387 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.489 4.718 1.553 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.035 5.291 2.347 1.00 0.31 H new ATOM 0 HG LEU A 63 124.664 4.465 0.413 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.726 2.990 -1.268 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.399 4.635 -1.340 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.323 3.329 -0.560 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.963 2.044 0.923 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.548 2.397 1.652 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.062 3.026 2.404 1.00 0.32 H new ATOM 1016 N LYS A 64 124.525 7.476 1.347 1.00 0.35 N ATOM 1017 CA LYS A 64 123.153 8.030 1.164 1.00 0.37 C ATOM 1018 C LYS A 64 123.204 9.224 0.212 1.00 0.39 C ATOM 1019 O LYS A 64 122.403 9.349 -0.693 1.00 0.39 O ATOM 1020 CB LYS A 64 122.577 8.464 2.518 1.00 0.41 C ATOM 1021 CG LYS A 64 121.165 9.033 2.323 1.00 0.43 C ATOM 1022 CD LYS A 64 120.595 9.464 3.674 1.00 0.68 C ATOM 1023 CE LYS A 64 119.209 10.077 3.470 1.00 1.25 C ATOM 1024 NZ LYS A 64 119.349 11.418 2.832 1.00 2.11 N ATOM 0 H LYS A 64 124.894 7.534 2.296 1.00 0.35 H new ATOM 0 HA LYS A 64 122.510 7.259 0.739 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.546 7.614 3.200 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.222 9.215 2.974 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.196 9.883 1.642 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.519 8.282 1.867 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.530 8.606 4.344 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.259 10.188 4.147 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.600 9.426 2.843 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.696 10.169 4.427 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 118.460 11.947 2.937 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 120.120 11.943 3.292 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 119.565 11.301 1.822 1.00 2.11 H new ATOM 1038 N ASP A 65 124.142 10.105 0.418 1.00 0.41 N ATOM 1039 CA ASP A 65 124.258 11.302 -0.460 1.00 0.45 C ATOM 1040 C ASP A 65 124.706 10.878 -1.857 1.00 0.43 C ATOM 1041 O ASP A 65 124.397 11.523 -2.840 1.00 0.46 O ATOM 1042 CB ASP A 65 125.281 12.273 0.130 1.00 0.49 C ATOM 1043 CG ASP A 65 125.291 13.562 -0.694 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.744 13.514 -1.825 1.00 1.90 O ATOM 1045 OD2 ASP A 65 124.847 14.574 -0.178 1.00 1.42 O ATOM 0 H ASP A 65 124.838 10.047 1.162 1.00 0.41 H new ATOM 0 HA ASP A 65 123.287 11.792 -0.527 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.033 12.494 1.168 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.272 11.820 0.129 1.00 0.49 H new ATOM 1050 N THR A 66 125.461 9.819 -1.954 1.00 0.40 N ATOM 1051 CA THR A 66 125.961 9.379 -3.285 1.00 0.39 C ATOM 1052 C THR A 66 124.870 8.652 -4.074 1.00 0.39 C ATOM 1053 O THR A 66 124.812 8.779 -5.281 1.00 0.41 O ATOM 1054 CB THR A 66 127.167 8.452 -3.103 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.225 9.175 -2.490 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.630 7.934 -4.466 1.00 0.39 C ATOM 0 H THR A 66 125.753 9.239 -1.167 1.00 0.40 H new ATOM 0 HA THR A 66 126.257 10.265 -3.847 1.00 0.39 H new ATOM 0 HB THR A 66 126.884 7.608 -2.474 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.009 9.335 -1.548 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.488 7.275 -4.333 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.819 7.382 -4.940 1.00 0.39 H new ATOM 0 HG23 THR A 66 127.914 8.776 -5.098 1.00 0.39 H new ATOM 1064 N CYS A 67 124.023 7.866 -3.441 1.00 0.37 N ATOM 1065 CA CYS A 67 122.972 7.117 -4.209 1.00 0.38 C ATOM 1066 C CYS A 67 121.583 7.296 -3.593 1.00 0.37 C ATOM 1067 O CYS A 67 120.585 7.248 -4.283 1.00 0.40 O ATOM 1068 CB CYS A 67 123.324 5.628 -4.211 1.00 0.37 C ATOM 1069 SG CYS A 67 123.589 5.068 -2.511 1.00 0.36 S ATOM 0 H CYS A 67 124.015 7.712 -2.433 1.00 0.37 H new ATOM 0 HA CYS A 67 122.948 7.514 -5.224 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.521 5.054 -4.673 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.221 5.456 -4.806 1.00 0.37 H new ATOM 0 HG CYS A 67 124.319 5.937 -1.877 1.00 0.36 H new ATOM 1075 N GLY A 68 121.506 7.490 -2.297 1.00 0.36 N ATOM 1076 CA GLY A 68 120.176 7.659 -1.627 1.00 0.36 C ATOM 1077 C GLY A 68 119.874 6.419 -0.781 1.00 0.34 C ATOM 1078 O GLY A 68 118.752 6.197 -0.374 1.00 0.34 O ATOM 0 H GLY A 68 122.311 7.539 -1.672 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.183 8.549 -0.998 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.395 7.803 -2.374 1.00 0.36 H new ATOM 1082 N ALA A 69 120.863 5.608 -0.505 1.00 0.33 N ATOM 1083 CA ALA A 69 120.616 4.391 0.321 1.00 0.32 C ATOM 1084 C ALA A 69 119.905 4.800 1.611 1.00 0.31 C ATOM 1085 O ALA A 69 120.006 5.926 2.053 1.00 0.32 O ATOM 1086 CB ALA A 69 121.951 3.721 0.656 1.00 0.32 C ATOM 0 H ALA A 69 121.826 5.736 -0.815 1.00 0.33 H new ATOM 0 HA ALA A 69 119.993 3.688 -0.233 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.770 2.832 1.260 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.457 3.437 -0.267 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.578 4.417 1.214 1.00 0.32 H new ATOM 1092 N ASN A 70 119.167 3.903 2.212 1.00 0.30 N ATOM 1093 CA ASN A 70 118.434 4.259 3.462 1.00 0.30 C ATOM 1094 C ASN A 70 119.327 4.010 4.680 1.00 0.30 C ATOM 1095 O ASN A 70 120.377 3.406 4.584 1.00 0.29 O ATOM 1096 CB ASN A 70 117.181 3.387 3.575 1.00 0.30 C ATOM 1097 CG ASN A 70 116.282 3.620 2.359 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.832 2.679 1.733 1.00 1.90 O ATOM 1099 ND2 ASN A 70 116.000 4.840 1.993 1.00 1.77 N ATOM 0 H ASN A 70 119.041 2.943 1.892 1.00 0.30 H new ATOM 0 HA ASN A 70 118.156 5.312 3.427 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.462 2.336 3.636 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.640 3.626 4.491 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.403 5.004 1.183 1.00 1.77 H new ATOM 0 HD22 ASN A 70 116.377 5.630 2.517 1.00 1.77 H new ATOM 1106 N ALA A 71 118.913 4.481 5.824 1.00 0.32 N ATOM 1107 CA ALA A 71 119.726 4.291 7.059 1.00 0.34 C ATOM 1108 C ALA A 71 119.899 2.800 7.353 1.00 0.32 C ATOM 1109 O ALA A 71 120.904 2.381 7.888 1.00 0.32 O ATOM 1110 CB ALA A 71 119.022 4.957 8.242 1.00 0.39 C ATOM 0 H ALA A 71 118.041 4.993 5.957 1.00 0.32 H new ATOM 0 HA ALA A 71 120.706 4.743 6.908 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.617 4.818 9.145 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.907 6.023 8.044 1.00 0.39 H new ATOM 0 HB3 ALA A 71 118.040 4.506 8.382 1.00 0.39 H new ATOM 1116 N LYS A 72 118.932 1.991 7.014 1.00 0.30 N ATOM 1117 CA LYS A 72 119.072 0.535 7.294 1.00 0.29 C ATOM 1118 C LYS A 72 120.088 -0.071 6.327 1.00 0.27 C ATOM 1119 O LYS A 72 120.880 -0.919 6.689 1.00 0.27 O ATOM 1120 CB LYS A 72 117.717 -0.160 7.110 1.00 0.29 C ATOM 1121 CG LYS A 72 116.689 0.389 8.113 1.00 1.18 C ATOM 1122 CD LYS A 72 116.941 -0.182 9.515 1.00 1.29 C ATOM 1123 CE LYS A 72 115.745 0.137 10.415 1.00 2.11 C ATOM 1124 NZ LYS A 72 115.647 1.611 10.612 1.00 2.58 N ATOM 0 H LYS A 72 118.062 2.271 6.561 1.00 0.30 H new ATOM 0 HA LYS A 72 119.413 0.395 8.320 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.358 -0.007 6.092 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.831 -1.235 7.249 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.747 1.477 8.142 1.00 1.18 H new ATOM 0 HG3 LYS A 72 115.681 0.132 7.786 1.00 1.18 H new ATOM 0 HD2 LYS A 72 117.091 -1.260 9.459 1.00 1.29 H new ATOM 0 HD3 LYS A 72 117.851 0.245 9.936 1.00 1.29 H new ATOM 0 HE2 LYS A 72 114.827 -0.242 9.965 1.00 2.11 H new ATOM 0 HE3 LYS A 72 115.858 -0.362 11.377 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 114.934 1.817 11.340 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 116.570 1.983 10.916 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 115.369 2.063 9.718 1.00 2.58 H new ATOM 1138 N GLN A 73 120.055 0.345 5.090 1.00 0.26 N ATOM 1139 CA GLN A 73 120.994 -0.210 4.078 1.00 0.25 C ATOM 1140 C GLN A 73 122.421 0.231 4.381 1.00 0.25 C ATOM 1141 O GLN A 73 123.361 -0.522 4.217 1.00 0.25 O ATOM 1142 CB GLN A 73 120.589 0.277 2.685 1.00 0.26 C ATOM 1143 CG GLN A 73 119.273 -0.388 2.271 1.00 0.29 C ATOM 1144 CD GLN A 73 119.501 -1.883 2.033 1.00 1.24 C ATOM 1145 OE1 GLN A 73 120.180 -2.266 1.102 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.958 -2.747 2.845 1.00 1.88 N ATOM 0 H GLN A 73 119.411 1.052 4.736 1.00 0.26 H new ATOM 0 HA GLN A 73 120.949 -1.299 4.113 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.476 1.361 2.686 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.371 0.039 1.964 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.522 -0.244 3.048 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.888 0.079 1.365 1.00 0.29 H new ATOM 0 HE21 GLN A 73 118.388 -2.424 3.627 1.00 1.88 H new ATOM 0 HE22 GLN A 73 119.103 -3.746 2.698 1.00 1.88 H new ATOM 1155 N SER A 74 122.600 1.449 4.810 1.00 0.26 N ATOM 1156 CA SER A 74 123.973 1.927 5.106 1.00 0.27 C ATOM 1157 C SER A 74 124.514 1.197 6.336 1.00 0.26 C ATOM 1158 O SER A 74 125.686 0.885 6.414 1.00 0.26 O ATOM 1159 CB SER A 74 123.949 3.432 5.361 1.00 0.30 C ATOM 1160 OG SER A 74 123.138 4.062 4.378 1.00 1.36 O ATOM 0 H SER A 74 121.857 2.129 4.967 1.00 0.26 H new ATOM 0 HA SER A 74 124.621 1.721 4.254 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.558 3.637 6.358 1.00 0.30 H new ATOM 0 HB3 SER A 74 124.961 3.835 5.326 1.00 0.30 H new ATOM 0 HG SER A 74 122.193 3.925 4.597 1.00 1.36 H new ATOM 1166 N ARG A 75 123.675 0.913 7.299 1.00 0.27 N ATOM 1167 CA ARG A 75 124.153 0.195 8.515 1.00 0.28 C ATOM 1168 C ARG A 75 124.727 -1.159 8.111 1.00 0.26 C ATOM 1169 O ARG A 75 125.702 -1.613 8.675 1.00 0.27 O ATOM 1170 CB ARG A 75 122.990 -0.005 9.500 1.00 0.30 C ATOM 1171 CG ARG A 75 122.593 1.333 10.148 1.00 0.33 C ATOM 1172 CD ARG A 75 123.525 1.650 11.328 1.00 0.61 C ATOM 1173 NE ARG A 75 123.148 2.961 11.926 1.00 1.34 N ATOM 1174 CZ ARG A 75 123.605 3.294 13.103 1.00 1.81 C ATOM 1175 NH1 ARG A 75 124.367 2.466 13.766 1.00 1.88 N ATOM 1176 NH2 ARG A 75 123.300 4.455 13.617 1.00 2.80 N ATOM 0 H ARG A 75 122.682 1.147 7.295 1.00 0.27 H new ATOM 0 HA ARG A 75 124.928 0.788 9.001 1.00 0.28 H new ATOM 0 HB2 ARG A 75 122.133 -0.431 8.978 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.279 -0.718 10.272 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.645 2.133 9.409 1.00 0.33 H new ATOM 0 HG3 ARG A 75 121.560 1.285 10.494 1.00 0.33 H new ATOM 0 HD2 ARG A 75 123.457 0.863 12.079 1.00 0.61 H new ATOM 0 HD3 ARG A 75 124.561 1.678 10.989 1.00 0.61 H new ATOM 0 HE ARG A 75 122.534 3.597 11.417 1.00 1.34 H new ATOM 0 HH11 ARG A 75 124.605 1.559 13.364 1.00 1.88 H new ATOM 0 HH12 ARG A 75 124.724 2.726 14.685 1.00 1.88 H new ATOM 0 HH21 ARG A 75 122.705 5.102 13.099 1.00 2.80 H new ATOM 0 HH22 ARG A 75 123.657 4.715 14.536 1.00 2.80 H new ATOM 1190 N ASP A 76 124.136 -1.827 7.159 1.00 0.25 N ATOM 1191 CA ASP A 76 124.648 -3.160 6.751 1.00 0.24 C ATOM 1192 C ASP A 76 126.009 -3.024 6.073 1.00 0.23 C ATOM 1193 O ASP A 76 126.895 -3.823 6.297 1.00 0.23 O ATOM 1194 CB ASP A 76 123.659 -3.812 5.781 1.00 0.24 C ATOM 1195 CG ASP A 76 122.387 -4.203 6.536 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.454 -4.314 7.750 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.369 -4.386 5.889 1.00 0.39 O ATOM 0 H ASP A 76 123.317 -1.503 6.645 1.00 0.25 H new ATOM 0 HA ASP A 76 124.758 -3.781 7.640 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.417 -3.122 4.973 1.00 0.24 H new ATOM 0 HB3 ASP A 76 124.109 -4.693 5.324 1.00 0.24 H new ATOM 1202 N CYS A 77 126.204 -2.025 5.254 1.00 0.22 N ATOM 1203 CA CYS A 77 127.530 -1.876 4.596 1.00 0.22 C ATOM 1204 C CYS A 77 128.576 -1.478 5.639 1.00 0.22 C ATOM 1205 O CYS A 77 129.691 -1.952 5.621 1.00 0.21 O ATOM 1206 CB CYS A 77 127.448 -0.789 3.523 1.00 0.23 C ATOM 1207 SG CYS A 77 126.438 -1.378 2.142 1.00 0.24 S ATOM 0 H CYS A 77 125.511 -1.315 5.016 1.00 0.22 H new ATOM 0 HA CYS A 77 127.814 -2.823 4.137 1.00 0.22 H new ATOM 0 HB2 CYS A 77 127.015 0.119 3.943 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.448 -0.533 3.173 1.00 0.23 H new ATOM 0 HG CYS A 77 126.392 -2.677 2.161 1.00 0.24 H new ATOM 1213 N PHE A 78 128.241 -0.606 6.550 1.00 0.23 N ATOM 1214 CA PHE A 78 129.250 -0.198 7.564 1.00 0.25 C ATOM 1215 C PHE A 78 129.722 -1.430 8.335 1.00 0.24 C ATOM 1216 O PHE A 78 130.890 -1.765 8.339 1.00 0.23 O ATOM 1217 CB PHE A 78 128.617 0.807 8.531 1.00 0.29 C ATOM 1218 CG PHE A 78 129.623 1.209 9.584 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.463 2.307 9.371 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.712 0.480 10.775 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.394 2.676 10.350 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.642 0.849 11.754 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.483 1.948 11.542 1.00 0.43 C ATOM 0 H PHE A 78 127.325 -0.164 6.635 1.00 0.23 H new ATOM 0 HA PHE A 78 130.104 0.265 7.069 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.278 1.687 7.985 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.739 0.367 9.003 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.394 2.870 8.452 1.00 0.36 H new ATOM 0 HD2 PHE A 78 129.063 -0.368 10.939 1.00 0.38 H new ATOM 0 HE1 PHE A 78 132.044 3.523 10.185 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.711 0.286 12.673 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.200 2.234 12.298 1.00 0.43 H new ATOM 1233 N GLY A 79 128.822 -2.102 8.996 1.00 0.25 N ATOM 1234 CA GLY A 79 129.206 -3.309 9.780 1.00 0.26 C ATOM 1235 C GLY A 79 129.755 -4.407 8.859 1.00 0.24 C ATOM 1236 O GLY A 79 130.641 -5.147 9.226 1.00 0.24 O ATOM 0 H GLY A 79 127.830 -1.866 9.027 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.958 -3.042 10.522 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.340 -3.685 10.325 1.00 0.26 H new ATOM 1240 N CYS A 80 129.240 -4.520 7.668 1.00 0.22 N ATOM 1241 CA CYS A 80 129.748 -5.579 6.744 1.00 0.22 C ATOM 1242 C CYS A 80 131.175 -5.255 6.303 1.00 0.22 C ATOM 1243 O CYS A 80 132.060 -6.085 6.379 1.00 0.23 O ATOM 1244 CB CYS A 80 128.848 -5.669 5.514 1.00 0.22 C ATOM 1245 SG CYS A 80 129.481 -6.948 4.400 1.00 0.25 S ATOM 0 H CYS A 80 128.495 -3.932 7.293 1.00 0.22 H new ATOM 0 HA CYS A 80 129.743 -6.533 7.271 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.827 -5.904 5.813 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.816 -4.708 5.001 1.00 0.22 H new ATOM 0 HG CYS A 80 129.374 -6.543 3.169 1.00 0.25 H new ATOM 1251 N LEU A 81 131.415 -4.055 5.860 1.00 0.21 N ATOM 1252 CA LEU A 81 132.800 -3.706 5.443 1.00 0.21 C ATOM 1253 C LEU A 81 133.687 -3.636 6.690 1.00 0.22 C ATOM 1254 O LEU A 81 134.824 -4.064 6.679 1.00 0.22 O ATOM 1255 CB LEU A 81 132.810 -2.351 4.726 1.00 0.22 C ATOM 1256 CG LEU A 81 131.918 -2.400 3.476 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.964 -1.037 2.780 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.403 -3.497 2.509 1.00 0.28 C ATOM 0 H LEU A 81 130.724 -3.310 5.769 1.00 0.21 H new ATOM 0 HA LEU A 81 133.177 -4.466 4.758 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.457 -1.572 5.402 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.830 -2.090 4.443 1.00 0.22 H new ATOM 0 HG LEU A 81 130.895 -2.632 3.773 1.00 0.24 H new ATOM 0 HD11 LEU A 81 131.334 -1.061 1.891 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.601 -0.268 3.462 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.990 -0.810 2.491 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.759 -3.517 1.629 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.428 -3.286 2.204 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.365 -4.465 3.009 1.00 0.28 H new ATOM 1270 N ARG A 82 133.177 -3.098 7.766 1.00 0.22 N ATOM 1271 CA ARG A 82 133.998 -3.005 9.008 1.00 0.24 C ATOM 1272 C ARG A 82 134.415 -4.408 9.457 1.00 0.25 C ATOM 1273 O ARG A 82 135.533 -4.629 9.875 1.00 0.26 O ATOM 1274 CB ARG A 82 133.183 -2.343 10.123 1.00 0.28 C ATOM 1275 CG ARG A 82 134.082 -2.127 11.344 1.00 0.33 C ATOM 1276 CD ARG A 82 133.287 -1.466 12.470 1.00 0.84 C ATOM 1277 NE ARG A 82 134.188 -1.266 13.641 1.00 1.41 N ATOM 1278 CZ ARG A 82 133.814 -0.517 14.641 1.00 1.95 C ATOM 1279 NH1 ARG A 82 132.633 0.039 14.638 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.620 -0.329 15.650 1.00 2.73 N ATOM 0 H ARG A 82 132.232 -2.721 7.839 1.00 0.22 H new ATOM 0 HA ARG A 82 134.885 -2.406 8.801 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.781 -1.390 9.779 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.332 -2.970 10.389 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.483 -3.082 11.683 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.933 -1.502 11.073 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.884 -0.510 12.136 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.438 -2.090 12.749 1.00 0.84 H new ATOM 0 HE ARG A 82 135.102 -1.718 13.660 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.000 -0.112 13.852 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.343 0.624 15.421 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.541 -0.768 15.656 1.00 2.73 H new ATOM 0 HH22 ARG A 82 134.329 0.257 16.433 1.00 2.73 H new ATOM 1294 N GLU A 83 133.524 -5.356 9.374 1.00 0.25 N ATOM 1295 CA GLU A 83 133.862 -6.745 9.796 1.00 0.28 C ATOM 1296 C GLU A 83 134.852 -7.382 8.814 1.00 0.27 C ATOM 1297 O GLU A 83 135.746 -8.099 9.216 1.00 0.29 O ATOM 1298 CB GLU A 83 132.587 -7.587 9.873 1.00 0.30 C ATOM 1299 CG GLU A 83 131.751 -7.151 11.081 1.00 0.33 C ATOM 1300 CD GLU A 83 132.440 -7.601 12.371 1.00 1.19 C ATOM 1301 OE1 GLU A 83 132.191 -8.719 12.793 1.00 1.56 O ATOM 1302 OE2 GLU A 83 133.212 -6.826 12.911 1.00 1.91 O ATOM 0 H GLU A 83 132.572 -5.229 9.031 1.00 0.25 H new ATOM 0 HA GLU A 83 134.329 -6.707 10.780 1.00 0.28 H new ATOM 0 HB2 GLU A 83 132.008 -7.471 8.957 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.842 -8.643 9.958 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.630 -6.068 11.080 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.752 -7.584 11.020 1.00 0.33 H new ATOM 1309 N TRP A 84 134.724 -7.130 7.533 1.00 0.25 N ATOM 1310 CA TRP A 84 135.684 -7.725 6.557 1.00 0.25 C ATOM 1311 C TRP A 84 137.096 -7.232 6.884 1.00 0.27 C ATOM 1312 O TRP A 84 138.055 -7.978 6.841 1.00 0.28 O ATOM 1313 CB TRP A 84 135.309 -7.292 5.137 1.00 0.25 C ATOM 1314 CG TRP A 84 136.212 -7.963 4.149 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.946 -9.141 3.538 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.513 -7.529 3.650 1.00 0.30 C ATOM 1317 NE1 TRP A 84 136.996 -9.456 2.695 1.00 0.33 N ATOM 1318 CE2 TRP A 84 137.985 -8.495 2.728 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.320 -6.404 3.901 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.213 -8.351 2.081 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.557 -6.257 3.250 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.002 -7.228 2.342 1.00 0.37 C ATOM 0 H TRP A 84 133.999 -6.540 7.125 1.00 0.25 H new ATOM 0 HA TRP A 84 135.647 -8.812 6.622 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.271 -7.551 4.930 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.392 -6.209 5.043 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.058 -9.738 3.685 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.034 -10.297 2.119 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.987 -5.649 4.598 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.551 -9.103 1.383 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.169 -5.390 3.451 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.953 -7.108 1.845 1.00 0.37 H new ATOM 1333 N CYS A 85 137.226 -5.970 7.199 1.00 0.27 N ATOM 1334 CA CYS A 85 138.576 -5.419 7.517 1.00 0.30 C ATOM 1335 C CYS A 85 139.144 -6.123 8.747 1.00 0.33 C ATOM 1336 O CYS A 85 140.316 -6.433 8.816 1.00 0.36 O ATOM 1337 CB CYS A 85 138.470 -3.920 7.802 1.00 0.33 C ATOM 1338 SG CYS A 85 138.136 -3.031 6.263 1.00 0.33 S ATOM 0 H CYS A 85 136.459 -5.299 7.250 1.00 0.27 H new ATOM 0 HA CYS A 85 139.235 -5.583 6.664 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.674 -3.732 8.522 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.396 -3.558 8.249 1.00 0.33 H new ATOM 0 HG CYS A 85 136.876 -3.140 5.964 1.00 0.33 H new ATOM 1344 N ASP A 86 138.319 -6.377 9.719 1.00 0.34 N ATOM 1345 CA ASP A 86 138.799 -7.058 10.951 1.00 0.39 C ATOM 1346 C ASP A 86 139.399 -8.416 10.587 1.00 0.41 C ATOM 1347 O ASP A 86 140.295 -8.906 11.246 1.00 0.43 O ATOM 1348 CB ASP A 86 137.620 -7.265 11.904 1.00 0.41 C ATOM 1349 CG ASP A 86 137.172 -5.916 12.468 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.964 -4.989 12.434 1.00 0.55 O ATOM 1351 OD2 ASP A 86 136.042 -5.832 12.922 1.00 0.51 O ATOM 0 H ASP A 86 137.327 -6.141 9.714 1.00 0.34 H new ATOM 0 HA ASP A 86 139.560 -6.444 11.433 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.794 -7.743 11.378 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.909 -7.932 12.716 1.00 0.41 H new ATOM 1356 N ALA A 87 138.896 -9.040 9.554 1.00 0.41 N ATOM 1357 CA ALA A 87 139.413 -10.386 9.159 1.00 0.43 C ATOM 1358 C ALA A 87 140.528 -10.270 8.110 1.00 0.43 C ATOM 1359 O ALA A 87 141.458 -11.052 8.106 1.00 0.48 O ATOM 1360 CB ALA A 87 138.261 -11.205 8.575 1.00 0.41 C ATOM 0 H ALA A 87 138.148 -8.675 8.965 1.00 0.41 H new ATOM 0 HA ALA A 87 139.825 -10.872 10.043 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.626 -12.190 8.283 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.477 -11.316 9.324 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.858 -10.694 7.701 1.00 0.41 H new ATOM 1366 N PHE A 88 140.422 -9.337 7.193 1.00 0.40 N ATOM 1367 CA PHE A 88 141.457 -9.217 6.108 1.00 0.44 C ATOM 1368 C PHE A 88 142.386 -8.015 6.317 1.00 0.54 C ATOM 1369 O PHE A 88 143.321 -7.833 5.562 1.00 1.24 O ATOM 1370 CB PHE A 88 140.750 -9.040 4.760 1.00 0.41 C ATOM 1371 CG PHE A 88 140.062 -10.322 4.359 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.752 -11.275 3.602 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.733 -10.553 4.734 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.116 -12.461 3.221 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.095 -11.738 4.351 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.787 -12.692 3.594 1.00 0.45 C ATOM 0 H PHE A 88 139.666 -8.653 7.146 1.00 0.40 H new ATOM 0 HA PHE A 88 142.059 -10.125 6.132 1.00 0.44 H new ATOM 0 HB2 PHE A 88 140.020 -8.233 4.827 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.473 -8.753 3.997 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.776 -11.095 3.312 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.201 -9.817 5.318 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.650 -13.198 2.639 1.00 0.47 H new ATOM 0 HE2 PHE A 88 137.070 -11.917 4.639 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.295 -13.607 3.298 1.00 0.45 H new ATOM 1454 N SER B 4 163.045 -2.389 1.015 1.00 0.63 N ATOM 1455 CA SER B 4 163.651 -2.816 2.308 1.00 0.62 C ATOM 1456 C SER B 4 162.886 -4.026 2.848 1.00 0.60 C ATOM 1457 O SER B 4 161.780 -4.314 2.437 1.00 0.58 O ATOM 1458 CB SER B 4 163.568 -1.670 3.315 1.00 0.63 C ATOM 1459 OG SER B 4 164.020 -2.124 4.583 1.00 1.50 O ATOM 0 HA SER B 4 164.696 -3.083 2.151 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.177 -0.831 2.979 1.00 0.63 H new ATOM 0 HB3 SER B 4 162.542 -1.310 3.390 1.00 0.63 H new ATOM 0 HG SER B 4 163.969 -1.390 5.230 1.00 1.50 H new ATOM 1465 N GLN B 5 163.484 -4.737 3.767 1.00 0.63 N ATOM 1466 CA GLN B 5 162.821 -5.939 4.344 1.00 0.64 C ATOM 1467 C GLN B 5 161.405 -5.581 4.794 1.00 0.60 C ATOM 1468 O GLN B 5 160.555 -6.435 4.944 1.00 0.60 O ATOM 1469 CB GLN B 5 163.629 -6.436 5.545 1.00 0.71 C ATOM 1470 CG GLN B 5 163.052 -7.766 6.034 1.00 1.34 C ATOM 1471 CD GLN B 5 163.881 -8.280 7.213 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.524 -7.512 7.899 1.00 2.09 O ATOM 1473 NE2 GLN B 5 163.895 -9.559 7.476 1.00 2.18 N ATOM 0 H GLN B 5 164.410 -4.534 4.144 1.00 0.63 H new ATOM 0 HA GLN B 5 162.770 -6.722 3.588 1.00 0.64 H new ATOM 0 HB2 GLN B 5 164.675 -6.562 5.266 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.600 -5.698 6.347 1.00 0.71 H new ATOM 0 HG2 GLN B 5 162.013 -7.635 6.336 1.00 1.34 H new ATOM 0 HG3 GLN B 5 163.059 -8.497 5.225 1.00 1.34 H new ATOM 0 HE21 GLN B 5 163.355 -10.204 6.900 1.00 2.18 H new ATOM 0 HE22 GLN B 5 164.446 -9.913 8.258 1.00 2.18 H new ATOM 1482 N LYS B 6 161.142 -4.320 5.011 1.00 0.59 N ATOM 1483 CA LYS B 6 159.783 -3.901 5.449 1.00 0.57 C ATOM 1484 C LYS B 6 158.775 -4.277 4.362 1.00 0.51 C ATOM 1485 O LYS B 6 157.653 -4.648 4.645 1.00 0.50 O ATOM 1486 CB LYS B 6 159.764 -2.387 5.665 1.00 0.58 C ATOM 1487 CG LYS B 6 160.685 -2.030 6.835 1.00 0.66 C ATOM 1488 CD LYS B 6 160.672 -0.517 7.059 1.00 0.80 C ATOM 1489 CE LYS B 6 161.594 -0.164 8.228 1.00 1.25 C ATOM 1490 NZ LYS B 6 161.099 -0.819 9.472 1.00 2.01 N ATOM 0 H LYS B 6 161.814 -3.561 4.903 1.00 0.59 H new ATOM 0 HA LYS B 6 159.522 -4.400 6.382 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.092 -1.875 4.760 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.748 -2.050 5.871 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.357 -2.544 7.739 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.700 -2.368 6.627 1.00 0.66 H new ATOM 0 HD2 LYS B 6 161.000 -0.003 6.156 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.657 -0.179 7.268 1.00 0.80 H new ATOM 0 HE2 LYS B 6 162.611 -0.491 8.013 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.628 0.917 8.363 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 161.494 -0.332 10.302 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.061 -0.767 9.502 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 161.396 -1.816 9.482 1.00 2.01 H new ATOM 1504 N HIS B 7 159.160 -4.179 3.121 1.00 0.49 N ATOM 1505 CA HIS B 7 158.218 -4.526 2.020 1.00 0.45 C ATOM 1506 C HIS B 7 157.776 -5.988 2.149 1.00 0.45 C ATOM 1507 O HIS B 7 156.603 -6.296 2.086 1.00 0.43 O ATOM 1508 CB HIS B 7 158.919 -4.297 0.671 1.00 0.45 C ATOM 1509 CG HIS B 7 158.149 -4.947 -0.453 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.273 -4.240 -1.268 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.133 -6.240 -0.920 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.777 -5.105 -2.175 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.268 -6.332 -2.003 1.00 0.42 N ATOM 0 H HIS B 7 160.086 -3.874 2.821 1.00 0.49 H new ATOM 0 HA HIS B 7 157.333 -3.893 2.080 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.013 -3.228 0.482 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.930 -4.704 0.708 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.705 -7.058 -0.508 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.069 -4.837 -2.946 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.053 -7.165 -2.552 1.00 0.42 H new ATOM 1521 N ARG B 8 158.708 -6.895 2.324 1.00 0.48 N ATOM 1522 CA ARG B 8 158.348 -8.335 2.452 1.00 0.50 C ATOM 1523 C ARG B 8 157.636 -8.580 3.783 1.00 0.51 C ATOM 1524 O ARG B 8 156.748 -9.404 3.885 1.00 0.51 O ATOM 1525 CB ARG B 8 159.623 -9.181 2.405 1.00 0.55 C ATOM 1526 CG ARG B 8 160.267 -9.070 1.020 1.00 0.57 C ATOM 1527 CD ARG B 8 161.539 -9.928 0.978 1.00 1.00 C ATOM 1528 NE ARG B 8 162.440 -9.454 -0.124 1.00 1.70 N ATOM 1529 CZ ARG B 8 162.014 -9.325 -1.353 1.00 2.29 C ATOM 1530 NH1 ARG B 8 160.842 -9.781 -1.704 1.00 2.43 N ATOM 1531 NH2 ARG B 8 162.792 -8.787 -2.253 1.00 3.23 N ATOM 0 H ARG B 8 159.706 -6.694 2.383 1.00 0.48 H new ATOM 0 HA ARG B 8 157.685 -8.611 1.632 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.323 -8.844 3.170 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.388 -10.222 2.625 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.566 -9.401 0.254 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.509 -8.030 0.802 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.059 -9.870 1.934 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.277 -10.974 0.820 1.00 1.00 H new ATOM 0 HE ARG B 8 163.411 -9.226 0.092 1.00 1.70 H new ATOM 0 HH11 ARG B 8 160.248 -10.244 -1.016 1.00 2.43 H new ATOM 0 HH12 ARG B 8 160.521 -9.674 -2.666 1.00 2.43 H new ATOM 0 HH21 ARG B 8 163.727 -8.470 -1.995 1.00 3.23 H new ATOM 0 HH22 ARG B 8 162.465 -8.684 -3.214 1.00 3.23 H new ATOM 1545 N ASP B 9 158.021 -7.870 4.805 1.00 0.52 N ATOM 1546 CA ASP B 9 157.372 -8.056 6.131 1.00 0.54 C ATOM 1547 C ASP B 9 155.942 -7.522 6.088 1.00 0.49 C ATOM 1548 O ASP B 9 155.037 -8.091 6.665 1.00 0.48 O ATOM 1549 CB ASP B 9 158.154 -7.306 7.210 1.00 0.61 C ATOM 1550 CG ASP B 9 159.496 -7.996 7.450 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.618 -9.155 7.089 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.378 -7.356 7.998 1.00 0.76 O ATOM 0 H ASP B 9 158.759 -7.167 4.779 1.00 0.52 H new ATOM 0 HA ASP B 9 157.360 -9.120 6.367 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.316 -6.273 6.903 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.579 -7.277 8.135 1.00 0.61 H new ATOM 1557 N PHE B 10 155.739 -6.418 5.428 1.00 0.46 N ATOM 1558 CA PHE B 10 154.374 -5.829 5.371 1.00 0.43 C ATOM 1559 C PHE B 10 153.425 -6.755 4.600 1.00 0.37 C ATOM 1560 O PHE B 10 152.297 -6.963 4.996 1.00 0.36 O ATOM 1561 CB PHE B 10 154.449 -4.467 4.679 1.00 0.45 C ATOM 1562 CG PHE B 10 153.117 -3.769 4.791 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.857 -2.935 5.886 1.00 0.44 C ATOM 1564 CD2 PHE B 10 152.143 -3.948 3.803 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.623 -2.283 5.994 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.909 -3.298 3.909 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.649 -2.465 5.006 1.00 0.43 C ATOM 0 H PHE B 10 156.459 -5.898 4.926 1.00 0.46 H new ATOM 0 HA PHE B 10 153.990 -5.708 6.384 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.229 -3.858 5.136 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.717 -4.595 3.630 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.610 -2.795 6.648 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.344 -4.589 2.957 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.423 -1.640 6.839 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.157 -3.438 3.146 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.696 -1.963 5.089 1.00 0.43 H new ATOM 1577 N VAL B 11 153.866 -7.313 3.503 1.00 0.37 N ATOM 1578 CA VAL B 11 152.974 -8.222 2.719 1.00 0.35 C ATOM 1579 C VAL B 11 153.032 -9.638 3.301 1.00 0.36 C ATOM 1580 O VAL B 11 152.606 -10.588 2.675 1.00 0.37 O ATOM 1581 CB VAL B 11 153.428 -8.256 1.257 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.415 -6.837 0.681 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.844 -8.830 1.179 1.00 0.40 C ATOM 0 H VAL B 11 154.801 -7.180 3.116 1.00 0.37 H new ATOM 0 HA VAL B 11 151.951 -7.850 2.775 1.00 0.35 H new ATOM 0 HB VAL B 11 152.749 -8.884 0.680 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.738 -6.864 -0.360 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.405 -6.431 0.737 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.092 -6.205 1.255 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.170 -8.855 0.139 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.523 -8.203 1.757 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.850 -9.841 1.586 1.00 0.40 H new ATOM 1593 N ALA B 12 153.565 -9.787 4.494 1.00 0.41 N ATOM 1594 CA ALA B 12 153.665 -11.145 5.127 1.00 0.47 C ATOM 1595 C ALA B 12 152.799 -11.213 6.388 1.00 0.45 C ATOM 1596 O ALA B 12 152.592 -12.272 6.947 1.00 0.48 O ATOM 1597 CB ALA B 12 155.122 -11.414 5.509 1.00 0.53 C ATOM 0 H ALA B 12 153.937 -9.023 5.059 1.00 0.41 H new ATOM 0 HA ALA B 12 153.315 -11.893 4.415 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.202 -12.399 5.969 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.745 -11.380 4.615 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.459 -10.655 6.215 1.00 0.53 H new ATOM 1603 N GLU B 13 152.284 -10.100 6.846 1.00 0.42 N ATOM 1604 CA GLU B 13 151.429 -10.128 8.073 1.00 0.43 C ATOM 1605 C GLU B 13 150.449 -8.942 8.042 1.00 0.39 C ATOM 1606 O GLU B 13 150.766 -7.900 7.507 1.00 0.36 O ATOM 1607 CB GLU B 13 152.325 -10.015 9.312 1.00 0.46 C ATOM 1608 CG GLU B 13 152.971 -8.626 9.355 1.00 0.48 C ATOM 1609 CD GLU B 13 154.128 -8.627 10.354 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.060 -9.383 11.311 1.00 1.27 O ATOM 1611 OE2 GLU B 13 155.065 -7.872 10.148 1.00 1.04 O ATOM 0 H GLU B 13 152.417 -9.179 6.428 1.00 0.42 H new ATOM 0 HA GLU B 13 150.867 -11.062 8.108 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.737 -10.182 10.215 1.00 0.46 H new ATOM 0 HB3 GLU B 13 153.096 -10.785 9.287 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.333 -8.352 8.364 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.231 -7.879 9.642 1.00 0.48 H new ATOM 1618 N PRO B 14 149.279 -9.075 8.630 1.00 0.42 N ATOM 1619 CA PRO B 14 148.288 -7.964 8.672 1.00 0.40 C ATOM 1620 C PRO B 14 148.968 -6.609 8.911 1.00 0.36 C ATOM 1621 O PRO B 14 150.090 -6.545 9.373 1.00 0.36 O ATOM 1622 CB PRO B 14 147.392 -8.343 9.853 1.00 0.45 C ATOM 1623 CG PRO B 14 147.402 -9.841 9.879 1.00 0.49 C ATOM 1624 CD PRO B 14 148.765 -10.282 9.312 1.00 0.48 C ATOM 0 HA PRO B 14 147.743 -7.849 7.735 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.773 -7.929 10.787 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.381 -7.957 9.722 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.267 -10.212 10.895 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.585 -10.244 9.281 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.439 -10.610 10.104 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.657 -11.116 8.619 1.00 0.48 H new ATOM 1632 N MET B 15 148.303 -5.527 8.604 1.00 0.35 N ATOM 1633 CA MET B 15 148.920 -4.182 8.820 1.00 0.34 C ATOM 1634 C MET B 15 148.531 -3.651 10.205 1.00 0.35 C ATOM 1635 O MET B 15 149.155 -2.756 10.737 1.00 0.37 O ATOM 1636 CB MET B 15 148.422 -3.211 7.744 1.00 0.36 C ATOM 1637 CG MET B 15 146.909 -3.365 7.565 1.00 0.40 C ATOM 1638 SD MET B 15 146.240 -1.880 6.773 1.00 0.56 S ATOM 1639 CE MET B 15 146.569 -2.352 5.056 1.00 0.42 C ATOM 0 H MET B 15 147.361 -5.514 8.214 1.00 0.35 H new ATOM 0 HA MET B 15 150.005 -4.270 8.758 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.661 -2.186 8.028 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.931 -3.408 6.800 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.692 -4.243 6.957 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.432 -3.521 8.532 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.691 -1.455 4.449 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.481 -2.948 5.011 1.00 0.42 H new ATOM 0 HE3 MET B 15 145.733 -2.938 4.673 1.00 0.42 H new ATOM 1649 N GLY B 16 147.503 -4.203 10.791 1.00 0.36 N ATOM 1650 CA GLY B 16 147.068 -3.740 12.141 1.00 0.39 C ATOM 1651 C GLY B 16 146.927 -2.214 12.152 1.00 0.38 C ATOM 1652 O GLY B 16 146.478 -1.613 11.196 1.00 0.37 O ATOM 0 H GLY B 16 146.944 -4.957 10.392 1.00 0.36 H new ATOM 0 HA2 GLY B 16 146.117 -4.203 12.404 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.793 -4.052 12.893 1.00 0.39 H new ATOM 1656 N GLU B 17 147.283 -1.589 13.248 1.00 0.40 N ATOM 1657 CA GLU B 17 147.150 -0.101 13.367 1.00 0.41 C ATOM 1658 C GLU B 17 148.520 0.566 13.221 1.00 0.38 C ATOM 1659 O GLU B 17 148.773 1.613 13.786 1.00 0.39 O ATOM 1660 CB GLU B 17 146.570 0.232 14.742 1.00 0.46 C ATOM 1661 CG GLU B 17 145.189 -0.413 14.881 1.00 0.50 C ATOM 1662 CD GLU B 17 144.607 -0.081 16.256 1.00 0.55 C ATOM 1663 OE1 GLU B 17 145.328 0.480 17.063 1.00 0.73 O ATOM 1664 OE2 GLU B 17 143.450 -0.402 16.481 1.00 0.84 O ATOM 0 H GLU B 17 147.664 -2.050 14.074 1.00 0.40 H new ATOM 0 HA GLU B 17 146.493 0.268 12.579 1.00 0.41 H new ATOM 0 HB2 GLU B 17 147.234 -0.131 15.527 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.493 1.312 14.864 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.526 -0.050 14.096 1.00 0.50 H new ATOM 0 HG3 GLU B 17 145.266 -1.493 14.758 1.00 0.50 H new ATOM 1671 N LYS B 18 149.408 -0.029 12.474 1.00 0.36 N ATOM 1672 CA LYS B 18 150.760 0.575 12.302 1.00 0.35 C ATOM 1673 C LYS B 18 150.599 1.969 11.670 1.00 0.31 C ATOM 1674 O LYS B 18 149.671 2.202 10.922 1.00 0.30 O ATOM 1675 CB LYS B 18 151.592 -0.313 11.369 1.00 0.35 C ATOM 1676 CG LYS B 18 151.949 -1.637 12.071 1.00 0.45 C ATOM 1677 CD LYS B 18 153.241 -1.475 12.883 1.00 1.16 C ATOM 1678 CE LYS B 18 153.639 -2.823 13.495 1.00 1.44 C ATOM 1679 NZ LYS B 18 155.081 -2.789 13.877 1.00 2.02 N ATOM 0 H LYS B 18 149.257 -0.906 11.976 1.00 0.36 H new ATOM 0 HA LYS B 18 151.261 0.659 13.267 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.033 -0.517 10.455 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.503 0.209 11.076 1.00 0.35 H new ATOM 0 HG2 LYS B 18 151.134 -1.940 12.728 1.00 0.45 H new ATOM 0 HG3 LYS B 18 152.073 -2.428 11.331 1.00 0.45 H new ATOM 0 HD2 LYS B 18 154.041 -1.105 12.242 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.097 -0.736 13.671 1.00 1.16 H new ATOM 0 HE2 LYS B 18 153.025 -3.033 14.371 1.00 1.44 H new ATOM 0 HE3 LYS B 18 153.460 -3.626 12.780 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 155.352 -3.703 14.292 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 155.660 -2.607 13.032 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 155.238 -2.032 14.573 1.00 2.02 H new ATOM 1693 N PRO B 19 151.481 2.895 11.974 1.00 0.31 N ATOM 1694 CA PRO B 19 151.399 4.284 11.426 1.00 0.29 C ATOM 1695 C PRO B 19 151.581 4.324 9.905 1.00 0.25 C ATOM 1696 O PRO B 19 152.099 3.404 9.303 1.00 0.23 O ATOM 1697 CB PRO B 19 152.534 5.038 12.147 1.00 0.32 C ATOM 1698 CG PRO B 19 153.491 3.974 12.588 1.00 0.32 C ATOM 1699 CD PRO B 19 152.644 2.730 12.863 1.00 0.34 C ATOM 0 HA PRO B 19 150.419 4.730 11.597 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.018 5.752 11.481 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.153 5.603 12.998 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.236 3.776 11.817 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.032 4.283 13.482 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.192 1.815 12.639 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.343 2.674 13.909 1.00 0.34 H new ATOM 1707 N VAL B 20 151.144 5.384 9.285 1.00 0.24 N ATOM 1708 CA VAL B 20 151.269 5.494 7.805 1.00 0.22 C ATOM 1709 C VAL B 20 152.732 5.358 7.381 1.00 0.21 C ATOM 1710 O VAL B 20 153.062 4.635 6.461 1.00 0.22 O ATOM 1711 CB VAL B 20 150.712 6.845 7.337 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.414 7.991 8.078 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.935 6.996 5.828 1.00 0.28 C ATOM 0 H VAL B 20 150.704 6.183 9.742 1.00 0.24 H new ATOM 0 HA VAL B 20 150.697 4.689 7.343 1.00 0.22 H new ATOM 0 HB VAL B 20 149.645 6.884 7.554 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.011 8.945 7.738 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.246 7.888 9.150 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.484 7.955 7.873 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.539 7.956 5.496 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.002 6.949 5.611 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.422 6.191 5.302 1.00 0.28 H new ATOM 1723 N GLY B 21 153.610 6.059 8.046 1.00 0.22 N ATOM 1724 CA GLY B 21 155.053 5.992 7.687 1.00 0.21 C ATOM 1725 C GLY B 21 155.534 4.536 7.668 1.00 0.19 C ATOM 1726 O GLY B 21 156.677 4.263 7.361 1.00 0.19 O ATOM 0 H GLY B 21 153.387 6.678 8.826 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.212 6.447 6.709 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.639 6.566 8.405 1.00 0.21 H new ATOM 1730 N SER B 22 154.684 3.595 7.992 1.00 0.20 N ATOM 1731 CA SER B 22 155.116 2.168 7.983 1.00 0.20 C ATOM 1732 C SER B 22 155.037 1.611 6.559 1.00 0.19 C ATOM 1733 O SER B 22 155.699 0.648 6.224 1.00 0.20 O ATOM 1734 CB SER B 22 154.196 1.354 8.894 1.00 0.23 C ATOM 1735 OG SER B 22 154.176 1.943 10.188 1.00 1.24 O ATOM 0 H SER B 22 153.713 3.754 8.261 1.00 0.20 H new ATOM 0 HA SER B 22 156.143 2.101 8.341 1.00 0.20 H new ATOM 0 HB2 SER B 22 153.188 1.324 8.480 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.546 0.323 8.956 1.00 0.23 H new ATOM 0 HG SER B 22 153.467 2.618 10.229 1.00 1.24 H new ATOM 1741 N LEU B 23 154.229 2.198 5.718 1.00 0.18 N ATOM 1742 CA LEU B 23 154.114 1.683 4.325 1.00 0.18 C ATOM 1743 C LEU B 23 155.451 1.844 3.604 1.00 0.18 C ATOM 1744 O LEU B 23 156.138 2.835 3.745 1.00 0.18 O ATOM 1745 CB LEU B 23 153.033 2.459 3.572 1.00 0.19 C ATOM 1746 CG LEU B 23 151.655 2.119 4.154 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.601 3.028 3.520 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.301 0.637 3.884 1.00 0.24 C ATOM 0 H LEU B 23 153.647 3.007 5.934 1.00 0.18 H new ATOM 0 HA LEU B 23 153.844 0.628 4.357 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.218 3.530 3.651 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.063 2.208 2.512 1.00 0.19 H new ATOM 0 HG LEU B 23 151.677 2.277 5.232 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.620 2.789 3.931 1.00 0.23 H new ATOM 0 HD12 LEU B 23 150.841 4.069 3.735 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.589 2.874 2.441 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.320 0.415 4.304 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.285 0.457 2.809 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.049 -0.006 4.348 1.00 0.24 H new ATOM 1760 N ALA B 24 155.813 0.866 2.831 1.00 0.18 N ATOM 1761 CA ALA B 24 157.101 0.944 2.091 1.00 0.19 C ATOM 1762 C ALA B 24 157.051 2.099 1.086 1.00 0.19 C ATOM 1763 O ALA B 24 156.086 2.283 0.374 1.00 0.20 O ATOM 1764 CB ALA B 24 157.341 -0.372 1.348 1.00 0.21 C ATOM 0 H ALA B 24 155.274 0.014 2.678 1.00 0.18 H new ATOM 0 HA ALA B 24 157.913 1.118 2.797 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.285 -0.316 0.805 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.382 -1.192 2.065 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.527 -0.546 0.644 1.00 0.21 H new ATOM 1770 N GLY B 25 158.100 2.878 1.034 1.00 0.20 N ATOM 1771 CA GLY B 25 158.144 4.036 0.085 1.00 0.21 C ATOM 1772 C GLY B 25 157.791 5.324 0.834 1.00 0.20 C ATOM 1773 O GLY B 25 158.064 6.414 0.372 1.00 0.22 O ATOM 0 H GLY B 25 158.934 2.763 1.610 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.137 4.120 -0.357 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.443 3.875 -0.734 1.00 0.21 H new ATOM 1777 N ILE B 26 157.197 5.208 1.994 1.00 0.20 N ATOM 1778 CA ILE B 26 156.835 6.425 2.786 1.00 0.21 C ATOM 1779 C ILE B 26 157.908 6.628 3.854 1.00 0.23 C ATOM 1780 O ILE B 26 158.069 5.812 4.739 1.00 0.25 O ATOM 1781 CB ILE B 26 155.479 6.208 3.463 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.434 5.788 2.418 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.030 7.503 4.145 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.416 6.779 1.247 1.00 0.24 C ATOM 0 H ILE B 26 156.946 4.320 2.429 1.00 0.20 H new ATOM 0 HA ILE B 26 156.773 7.298 2.136 1.00 0.21 H new ATOM 0 HB ILE B 26 155.576 5.420 4.210 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.660 4.787 2.051 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.447 5.743 2.879 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.065 7.345 4.626 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.766 7.793 4.895 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.939 8.294 3.400 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.670 6.466 0.517 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.167 7.774 1.616 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.398 6.803 0.775 1.00 0.24 H new ATOM 1796 N GLY B 27 158.653 7.703 3.794 1.00 0.24 N ATOM 1797 CA GLY B 27 159.711 7.936 4.817 1.00 0.27 C ATOM 1798 C GLY B 27 159.122 8.697 6.004 1.00 0.28 C ATOM 1799 O GLY B 27 157.989 9.134 5.978 1.00 0.27 O ATOM 0 H GLY B 27 158.573 8.427 3.080 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.123 6.984 5.151 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.533 8.503 4.381 1.00 0.27 H new ATOM 1803 N GLU B 28 159.883 8.848 7.051 1.00 0.30 N ATOM 1804 CA GLU B 28 159.357 9.569 8.243 1.00 0.32 C ATOM 1805 C GLU B 28 158.878 10.966 7.838 1.00 0.32 C ATOM 1806 O GLU B 28 157.864 11.438 8.308 1.00 0.35 O ATOM 1807 CB GLU B 28 160.461 9.694 9.297 1.00 0.36 C ATOM 1808 CG GLU B 28 160.747 8.321 9.910 1.00 0.39 C ATOM 1809 CD GLU B 28 159.561 7.893 10.777 1.00 1.27 C ATOM 1810 OE1 GLU B 28 158.783 8.757 11.150 1.00 2.00 O ATOM 1811 OE2 GLU B 28 159.452 6.710 11.058 1.00 1.64 O ATOM 0 H GLU B 28 160.840 8.506 7.133 1.00 0.30 H new ATOM 0 HA GLU B 28 158.519 9.008 8.658 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.367 10.096 8.843 1.00 0.36 H new ATOM 0 HB3 GLU B 28 160.157 10.394 10.075 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.919 7.588 9.122 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.655 8.361 10.511 1.00 0.39 H new ATOM 1818 N VAL B 29 159.593 11.634 6.973 1.00 0.31 N ATOM 1819 CA VAL B 29 159.165 13.003 6.558 1.00 0.33 C ATOM 1820 C VAL B 29 157.847 12.920 5.780 1.00 0.33 C ATOM 1821 O VAL B 29 156.944 13.708 5.983 1.00 0.35 O ATOM 1822 CB VAL B 29 160.250 13.624 5.669 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.736 14.924 5.045 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.492 13.922 6.513 1.00 0.35 C ATOM 0 H VAL B 29 160.450 11.294 6.537 1.00 0.31 H new ATOM 0 HA VAL B 29 159.018 13.622 7.443 1.00 0.33 H new ATOM 0 HB VAL B 29 160.505 12.922 4.875 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.513 15.358 4.416 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.854 14.713 4.440 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.474 15.628 5.835 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.263 14.363 5.882 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.232 14.619 7.309 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.866 12.996 6.949 1.00 0.35 H new ATOM 1834 N LEU B 30 157.735 11.982 4.883 1.00 0.32 N ATOM 1835 CA LEU B 30 156.485 11.860 4.077 1.00 0.33 C ATOM 1836 C LEU B 30 155.312 11.507 4.993 1.00 0.32 C ATOM 1837 O LEU B 30 154.195 11.930 4.771 1.00 0.33 O ATOM 1838 CB LEU B 30 156.654 10.771 3.010 1.00 0.33 C ATOM 1839 CG LEU B 30 157.811 11.127 2.063 1.00 0.35 C ATOM 1840 CD1 LEU B 30 157.955 10.024 1.010 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.534 12.473 1.362 1.00 0.40 C ATOM 0 H LEU B 30 158.456 11.292 4.671 1.00 0.32 H new ATOM 0 HA LEU B 30 156.284 12.812 3.586 1.00 0.33 H new ATOM 0 HB2 LEU B 30 156.849 9.811 3.488 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.730 10.663 2.442 1.00 0.33 H new ATOM 0 HG LEU B 30 158.732 11.214 2.640 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.774 10.270 0.335 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.164 9.075 1.504 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.029 9.941 0.441 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.362 12.713 0.694 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.612 12.400 0.785 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.432 13.259 2.110 1.00 0.40 H new ATOM 1853 N GLY B 31 155.551 10.742 6.019 1.00 0.33 N ATOM 1854 CA GLY B 31 154.438 10.380 6.938 1.00 0.34 C ATOM 1855 C GLY B 31 153.840 11.661 7.524 1.00 0.35 C ATOM 1856 O GLY B 31 152.640 11.790 7.663 1.00 0.36 O ATOM 0 H GLY B 31 156.463 10.354 6.261 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.673 9.819 6.401 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.804 9.735 7.737 1.00 0.34 H new ATOM 1860 N LYS B 32 154.668 12.615 7.861 1.00 0.35 N ATOM 1861 CA LYS B 32 154.140 13.890 8.428 1.00 0.37 C ATOM 1862 C LYS B 32 153.267 14.594 7.382 1.00 0.37 C ATOM 1863 O LYS B 32 152.256 15.182 7.710 1.00 0.38 O ATOM 1864 CB LYS B 32 155.309 14.814 8.834 1.00 0.40 C ATOM 1865 CG LYS B 32 155.832 14.454 10.235 1.00 1.18 C ATOM 1866 CD LYS B 32 156.699 13.197 10.167 1.00 1.36 C ATOM 1867 CE LYS B 32 157.179 12.837 11.574 1.00 2.07 C ATOM 1868 NZ LYS B 32 157.870 11.517 11.545 1.00 2.75 N ATOM 0 H LYS B 32 155.683 12.567 7.769 1.00 0.35 H new ATOM 0 HA LYS B 32 153.542 13.666 9.311 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.116 14.727 8.107 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.978 15.853 8.821 1.00 0.40 H new ATOM 0 HG2 LYS B 32 156.412 15.284 10.639 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.994 14.291 10.913 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.129 12.371 9.742 1.00 1.36 H new ATOM 0 HD3 LYS B 32 157.553 13.365 9.511 1.00 1.36 H new ATOM 0 HE2 LYS B 32 157.857 13.605 11.945 1.00 2.07 H new ATOM 0 HE3 LYS B 32 156.332 12.800 12.260 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 157.294 10.812 12.048 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 158.002 11.216 10.558 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 158.797 11.600 12.009 1.00 2.75 H new ATOM 1882 N LYS B 33 153.647 14.559 6.134 1.00 0.35 N ATOM 1883 CA LYS B 33 152.825 15.253 5.102 1.00 0.36 C ATOM 1884 C LYS B 33 151.493 14.519 4.946 1.00 0.34 C ATOM 1885 O LYS B 33 150.436 15.110 5.048 1.00 0.36 O ATOM 1886 CB LYS B 33 153.566 15.237 3.762 1.00 0.36 C ATOM 1887 CG LYS B 33 154.928 15.932 3.900 1.00 0.39 C ATOM 1888 CD LYS B 33 154.745 17.443 4.095 1.00 0.64 C ATOM 1889 CE LYS B 33 156.074 18.156 3.837 1.00 0.66 C ATOM 1890 NZ LYS B 33 157.068 17.737 4.866 1.00 1.56 N ATOM 0 H LYS B 33 154.481 14.086 5.787 1.00 0.35 H new ATOM 0 HA LYS B 33 152.648 16.284 5.409 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.707 14.209 3.428 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.968 15.740 3.002 1.00 0.36 H new ATOM 0 HG2 LYS B 33 155.472 15.514 4.747 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.530 15.745 3.011 1.00 0.39 H new ATOM 0 HD2 LYS B 33 153.981 17.818 3.414 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.400 17.650 5.108 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.442 17.914 2.840 1.00 0.66 H new ATOM 0 HE3 LYS B 33 155.932 19.236 3.871 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.905 18.351 4.810 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 156.643 17.816 5.812 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 157.350 16.751 4.695 1.00 1.56 H new ATOM 1904 N LEU B 34 151.530 13.237 4.717 1.00 0.32 N ATOM 1905 CA LEU B 34 150.258 12.482 4.577 1.00 0.31 C ATOM 1906 C LEU B 34 149.472 12.615 5.889 1.00 0.31 C ATOM 1907 O LEU B 34 148.268 12.775 5.896 1.00 0.32 O ATOM 1908 CB LEU B 34 150.573 11.010 4.278 1.00 0.28 C ATOM 1909 CG LEU B 34 151.274 10.893 2.917 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.784 9.459 2.738 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.294 11.238 1.775 1.00 0.33 C ATOM 0 H LEU B 34 152.381 12.683 4.621 1.00 0.32 H new ATOM 0 HA LEU B 34 149.660 12.879 3.756 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.209 10.599 5.061 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.653 10.425 4.275 1.00 0.28 H new ATOM 0 HG LEU B 34 152.109 11.593 2.884 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.283 9.368 1.773 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.489 9.221 3.535 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.943 8.766 2.778 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.806 11.150 0.817 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.450 10.549 1.799 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.933 12.259 1.901 1.00 0.33 H new ATOM 1923 N GLU B 35 150.161 12.555 6.995 1.00 0.31 N ATOM 1924 CA GLU B 35 149.466 12.683 8.312 1.00 0.34 C ATOM 1925 C GLU B 35 148.764 14.042 8.380 1.00 0.37 C ATOM 1926 O GLU B 35 147.643 14.154 8.835 1.00 0.39 O ATOM 1927 CB GLU B 35 150.493 12.572 9.443 1.00 0.35 C ATOM 1928 CG GLU B 35 149.792 12.701 10.798 1.00 0.92 C ATOM 1929 CD GLU B 35 150.815 12.501 11.918 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.967 12.251 11.604 1.00 1.35 O ATOM 1931 OE2 GLU B 35 150.429 12.603 13.072 1.00 1.68 O ATOM 0 H GLU B 35 151.171 12.423 7.047 1.00 0.31 H new ATOM 0 HA GLU B 35 148.728 11.888 8.419 1.00 0.34 H new ATOM 0 HB2 GLU B 35 151.012 11.616 9.382 1.00 0.35 H new ATOM 0 HB3 GLU B 35 151.248 13.352 9.338 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.325 13.682 10.887 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.996 11.961 10.880 1.00 0.92 H new ATOM 1938 N GLU B 36 149.417 15.073 7.922 1.00 0.39 N ATOM 1939 CA GLU B 36 148.800 16.428 7.945 1.00 0.44 C ATOM 1940 C GLU B 36 147.608 16.439 6.987 1.00 0.45 C ATOM 1941 O GLU B 36 146.732 17.278 7.068 1.00 0.49 O ATOM 1942 CB GLU B 36 149.834 17.463 7.492 1.00 0.46 C ATOM 1943 CG GLU B 36 149.254 18.872 7.633 1.00 1.11 C ATOM 1944 CD GLU B 36 150.293 19.899 7.179 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.427 19.507 6.959 1.00 1.99 O ATOM 1946 OE2 GLU B 36 149.935 21.059 7.055 1.00 1.85 O ATOM 0 H GLU B 36 150.358 15.035 7.530 1.00 0.39 H new ATOM 0 HA GLU B 36 148.466 16.672 8.954 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.740 17.371 8.091 1.00 0.46 H new ATOM 0 HB3 GLU B 36 150.117 17.278 6.456 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.348 18.966 7.034 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.971 19.058 8.669 1.00 1.11 H new ATOM 1953 N ARG B 37 147.581 15.511 6.073 1.00 0.42 N ATOM 1954 CA ARG B 37 146.460 15.457 5.089 1.00 0.45 C ATOM 1955 C ARG B 37 145.330 14.563 5.617 1.00 0.42 C ATOM 1956 O ARG B 37 144.338 14.353 4.948 1.00 0.43 O ATOM 1957 CB ARG B 37 146.978 14.908 3.758 1.00 0.45 C ATOM 1958 CG ARG B 37 147.885 15.949 3.082 1.00 0.52 C ATOM 1959 CD ARG B 37 147.064 17.176 2.634 1.00 0.86 C ATOM 1960 NE ARG B 37 147.640 17.732 1.367 1.00 1.42 N ATOM 1961 CZ ARG B 37 148.922 17.958 1.246 1.00 1.87 C ATOM 1962 NH1 ARG B 37 149.713 17.873 2.279 1.00 2.15 N ATOM 1963 NH2 ARG B 37 149.408 18.328 0.091 1.00 2.68 N ATOM 0 H ARG B 37 148.288 14.784 5.963 1.00 0.42 H new ATOM 0 HA ARG B 37 146.067 16.463 4.941 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.532 13.984 3.926 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.141 14.663 3.105 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.667 16.261 3.774 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.381 15.502 2.220 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.023 16.892 2.478 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.074 17.937 3.414 1.00 0.86 H new ATOM 0 HE ARG B 37 147.020 17.938 0.584 1.00 1.42 H new ATOM 0 HH11 ARG B 37 149.333 17.628 3.193 1.00 2.15 H new ATOM 0 HH12 ARG B 37 150.712 18.051 2.173 1.00 2.15 H new ATOM 0 HH21 ARG B 37 148.788 18.439 -0.711 1.00 2.68 H new ATOM 0 HH22 ARG B 37 150.407 18.506 -0.008 1.00 2.68 H new ATOM 1977 N GLY B 38 145.450 14.065 6.827 1.00 0.41 N ATOM 1978 CA GLY B 38 144.351 13.222 7.408 1.00 0.39 C ATOM 1979 C GLY B 38 144.669 11.728 7.303 1.00 0.37 C ATOM 1980 O GLY B 38 143.836 10.899 7.608 1.00 0.49 O ATOM 0 H GLY B 38 146.257 14.204 7.435 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.201 13.490 8.454 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.417 13.433 6.888 1.00 0.39 H new ATOM 1984 N PHE B 39 145.859 11.365 6.898 1.00 0.31 N ATOM 1985 CA PHE B 39 146.218 9.915 6.799 1.00 0.28 C ATOM 1986 C PHE B 39 147.130 9.560 7.974 1.00 0.28 C ATOM 1987 O PHE B 39 148.326 9.405 7.824 1.00 0.28 O ATOM 1988 CB PHE B 39 146.979 9.686 5.499 1.00 0.27 C ATOM 1989 CG PHE B 39 146.059 9.886 4.322 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.925 11.157 3.760 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.347 8.807 3.792 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.076 11.354 2.666 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.497 9.002 2.696 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.361 10.277 2.134 1.00 0.32 C ATOM 0 H PHE B 39 146.601 12.012 6.630 1.00 0.31 H new ATOM 0 HA PHE B 39 145.319 9.299 6.819 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.821 10.375 5.434 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.391 8.677 5.482 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.478 11.989 4.171 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.452 7.824 4.227 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.973 12.338 2.232 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.947 8.169 2.284 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.704 10.428 1.290 1.00 0.32 H new ATOM 2004 N ASP B 40 146.575 9.472 9.151 1.00 0.30 N ATOM 2005 CA ASP B 40 147.411 9.176 10.349 1.00 0.31 C ATOM 2006 C ASP B 40 147.768 7.687 10.416 1.00 0.29 C ATOM 2007 O ASP B 40 148.582 7.284 11.222 1.00 0.30 O ATOM 2008 CB ASP B 40 146.629 9.566 11.604 1.00 0.35 C ATOM 2009 CG ASP B 40 145.291 8.825 11.623 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.785 8.527 10.552 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.795 8.565 12.706 1.00 0.41 O ATOM 0 H ASP B 40 145.579 9.592 9.335 1.00 0.30 H new ATOM 0 HA ASP B 40 148.337 9.747 10.282 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.206 9.320 12.496 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.461 10.643 11.620 1.00 0.35 H new ATOM 2016 N LYS B 41 147.171 6.862 9.588 1.00 0.28 N ATOM 2017 CA LYS B 41 147.488 5.396 9.625 1.00 0.28 C ATOM 2018 C LYS B 41 147.626 4.842 8.201 1.00 0.23 C ATOM 2019 O LYS B 41 147.147 5.416 7.243 1.00 0.23 O ATOM 2020 CB LYS B 41 146.384 4.667 10.394 1.00 0.33 C ATOM 2021 CG LYS B 41 146.492 5.047 11.874 1.00 0.47 C ATOM 2022 CD LYS B 41 145.400 4.345 12.681 1.00 0.74 C ATOM 2023 CE LYS B 41 145.651 4.565 14.174 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.042 5.985 14.406 1.00 1.56 N ATOM 0 H LYS B 41 146.480 7.138 8.890 1.00 0.28 H new ATOM 0 HA LYS B 41 148.439 5.238 10.133 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.405 4.942 10.003 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.485 3.589 10.271 1.00 0.33 H new ATOM 0 HG2 LYS B 41 147.474 4.769 12.258 1.00 0.47 H new ATOM 0 HG3 LYS B 41 146.400 6.127 11.987 1.00 0.47 H new ATOM 0 HD2 LYS B 41 144.420 4.735 12.404 1.00 0.74 H new ATOM 0 HD3 LYS B 41 145.394 3.279 12.455 1.00 0.74 H new ATOM 0 HE2 LYS B 41 144.753 4.326 14.744 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.438 3.898 14.524 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 145.886 6.229 15.405 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 147.047 6.111 14.172 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.466 6.607 13.803 1.00 1.56 H new ATOM 2038 N ALA B 42 148.316 3.740 8.067 1.00 0.21 N ATOM 2039 CA ALA B 42 148.549 3.129 6.720 1.00 0.20 C ATOM 2040 C ALA B 42 147.250 2.643 6.069 1.00 0.18 C ATOM 2041 O ALA B 42 147.060 2.797 4.878 1.00 0.18 O ATOM 2042 CB ALA B 42 149.502 1.944 6.878 1.00 0.21 C ATOM 0 H ALA B 42 148.735 3.228 8.844 1.00 0.21 H new ATOM 0 HA ALA B 42 148.975 3.895 6.072 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.681 1.489 5.904 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.447 2.290 7.296 1.00 0.21 H new ATOM 0 HB3 ALA B 42 149.058 1.207 7.547 1.00 0.21 H new ATOM 2048 N TYR B 43 146.375 2.025 6.804 1.00 0.18 N ATOM 2049 CA TYR B 43 145.129 1.504 6.169 1.00 0.18 C ATOM 2050 C TYR B 43 144.338 2.647 5.514 1.00 0.17 C ATOM 2051 O TYR B 43 143.497 2.417 4.668 1.00 0.17 O ATOM 2052 CB TYR B 43 144.265 0.766 7.205 1.00 0.20 C ATOM 2053 CG TYR B 43 143.461 1.739 8.031 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.303 2.306 7.494 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.861 2.062 9.332 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.545 3.197 8.251 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.102 2.955 10.091 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.943 3.524 9.553 1.00 0.27 C ATOM 2059 OH TYR B 43 141.197 4.405 10.308 1.00 0.32 O ATOM 0 H TYR B 43 146.462 1.857 7.806 1.00 0.18 H new ATOM 0 HA TYR B 43 145.409 0.795 5.390 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.594 0.074 6.697 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.903 0.170 7.858 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.995 2.053 6.490 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.755 1.622 9.748 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.651 3.635 7.834 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.410 3.207 11.095 1.00 0.28 H new ATOM 0 HH TYR B 43 141.615 4.518 11.187 1.00 0.32 H new ATOM 2069 N VAL B 44 144.609 3.872 5.875 1.00 0.18 N ATOM 2070 CA VAL B 44 143.874 5.008 5.241 1.00 0.18 C ATOM 2071 C VAL B 44 144.510 5.288 3.876 1.00 0.17 C ATOM 2072 O VAL B 44 143.862 5.689 2.927 1.00 0.17 O ATOM 2073 CB VAL B 44 143.974 6.250 6.131 1.00 0.20 C ATOM 2074 CG1 VAL B 44 143.071 7.360 5.578 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.530 5.896 7.553 1.00 0.24 C ATOM 0 H VAL B 44 145.302 4.136 6.576 1.00 0.18 H new ATOM 0 HA VAL B 44 142.821 4.755 5.117 1.00 0.18 H new ATOM 0 HB VAL B 44 145.007 6.599 6.145 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.146 8.241 6.215 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.387 7.616 4.566 1.00 0.21 H new ATOM 0 HG13 VAL B 44 142.038 7.013 5.559 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.601 6.780 8.187 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.498 5.544 7.535 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.174 5.112 7.951 1.00 0.24 H new ATOM 2085 N VAL B 45 145.792 5.055 3.790 1.00 0.17 N ATOM 2086 CA VAL B 45 146.521 5.278 2.512 1.00 0.17 C ATOM 2087 C VAL B 45 146.203 4.110 1.578 1.00 0.15 C ATOM 2088 O VAL B 45 146.012 4.286 0.391 1.00 0.15 O ATOM 2089 CB VAL B 45 148.027 5.349 2.780 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.791 5.328 1.451 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.357 6.640 3.543 1.00 0.20 C ATOM 0 H VAL B 45 146.369 4.716 4.560 1.00 0.17 H new ATOM 0 HA VAL B 45 146.212 6.217 2.054 1.00 0.17 H new ATOM 0 HB VAL B 45 148.325 4.489 3.380 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.862 5.379 1.646 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.563 4.407 0.915 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.492 6.184 0.846 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.429 6.687 3.732 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.055 7.502 2.948 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.821 6.649 4.492 1.00 0.20 H new ATOM 2101 N LEU B 46 146.100 2.924 2.112 1.00 0.17 N ATOM 2102 CA LEU B 46 145.744 1.759 1.258 1.00 0.17 C ATOM 2103 C LEU B 46 144.380 2.049 0.643 1.00 0.17 C ATOM 2104 O LEU B 46 144.110 1.730 -0.497 1.00 0.17 O ATOM 2105 CB LEU B 46 145.675 0.487 2.118 1.00 0.22 C ATOM 2106 CG LEU B 46 145.134 -0.689 1.290 1.00 0.25 C ATOM 2107 CD1 LEU B 46 145.995 -0.896 0.039 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.157 -1.960 2.140 1.00 0.35 C ATOM 0 H LEU B 46 146.247 2.713 3.099 1.00 0.17 H new ATOM 0 HA LEU B 46 146.491 1.604 0.480 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.666 0.245 2.501 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.032 0.658 2.982 1.00 0.22 H new ATOM 0 HG LEU B 46 144.112 -0.468 0.983 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.602 -1.732 -0.539 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.975 0.008 -0.570 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.022 -1.111 0.335 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.774 -2.796 1.555 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.180 -2.173 2.449 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.533 -1.819 3.023 1.00 0.35 H new ATOM 2120 N GLY B 47 143.518 2.660 1.405 1.00 0.17 N ATOM 2121 CA GLY B 47 142.159 2.988 0.900 1.00 0.18 C ATOM 2122 C GLY B 47 142.264 3.836 -0.369 1.00 0.17 C ATOM 2123 O GLY B 47 141.589 3.583 -1.346 1.00 0.18 O ATOM 0 H GLY B 47 143.700 2.949 2.366 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.609 2.071 0.690 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.599 3.528 1.663 1.00 0.18 H new ATOM 2127 N GLN B 48 143.108 4.836 -0.379 1.00 0.17 N ATOM 2128 CA GLN B 48 143.240 5.675 -1.607 1.00 0.18 C ATOM 2129 C GLN B 48 143.682 4.789 -2.776 1.00 0.17 C ATOM 2130 O GLN B 48 143.175 4.890 -3.874 1.00 0.18 O ATOM 2131 CB GLN B 48 144.279 6.775 -1.371 1.00 0.18 C ATOM 2132 CG GLN B 48 144.257 7.763 -2.540 1.00 0.22 C ATOM 2133 CD GLN B 48 142.937 8.539 -2.532 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.665 9.289 -1.614 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.101 8.394 -3.523 1.00 1.09 N ATOM 0 H GLN B 48 143.706 5.106 0.402 1.00 0.17 H new ATOM 0 HA GLN B 48 142.280 6.136 -1.840 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.066 7.296 -0.438 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.272 6.336 -1.272 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.097 8.453 -2.462 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.371 7.229 -3.483 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.328 7.765 -4.294 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.221 8.909 -3.527 1.00 1.09 H new ATOM 2144 N PHE B 49 144.615 3.910 -2.538 1.00 0.17 N ATOM 2145 CA PHE B 49 145.089 2.996 -3.618 1.00 0.17 C ATOM 2146 C PHE B 49 143.905 2.161 -4.112 1.00 0.18 C ATOM 2147 O PHE B 49 143.738 1.925 -5.292 1.00 0.19 O ATOM 2148 CB PHE B 49 146.163 2.077 -3.033 1.00 0.18 C ATOM 2149 CG PHE B 49 146.596 1.056 -4.055 1.00 0.20 C ATOM 2150 CD1 PHE B 49 145.929 -0.172 -4.134 1.00 0.27 C ATOM 2151 CD2 PHE B 49 147.665 1.328 -4.914 1.00 0.24 C ATOM 2152 CE1 PHE B 49 146.330 -1.128 -5.073 1.00 0.31 C ATOM 2153 CE2 PHE B 49 148.067 0.372 -5.853 1.00 0.27 C ATOM 2154 CZ PHE B 49 147.400 -0.856 -5.933 1.00 0.27 C ATOM 0 H PHE B 49 145.074 3.784 -1.636 1.00 0.17 H new ATOM 0 HA PHE B 49 145.503 3.564 -4.451 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.022 2.668 -2.714 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.776 1.573 -2.147 1.00 0.18 H new ATOM 0 HD1 PHE B 49 145.104 -0.382 -3.469 1.00 0.27 H new ATOM 0 HD2 PHE B 49 148.180 2.275 -4.853 1.00 0.24 H new ATOM 0 HE1 PHE B 49 145.814 -2.075 -5.134 1.00 0.31 H new ATOM 0 HE2 PHE B 49 148.893 0.582 -6.517 1.00 0.27 H new ATOM 0 HZ PHE B 49 147.711 -1.593 -6.658 1.00 0.27 H new ATOM 2164 N LEU B 50 143.090 1.717 -3.209 1.00 0.18 N ATOM 2165 CA LEU B 50 141.915 0.894 -3.611 1.00 0.20 C ATOM 2166 C LEU B 50 140.922 1.792 -4.366 1.00 0.21 C ATOM 2167 O LEU B 50 140.299 1.376 -5.322 1.00 0.23 O ATOM 2168 CB LEU B 50 141.267 0.293 -2.356 1.00 0.22 C ATOM 2169 CG LEU B 50 142.261 -0.663 -1.667 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.724 -1.057 -0.285 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.464 -1.934 -2.518 1.00 0.27 C ATOM 0 H LEU B 50 143.182 1.885 -2.207 1.00 0.18 H new ATOM 0 HA LEU B 50 142.221 0.077 -4.265 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.976 1.088 -1.669 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.358 -0.244 -2.626 1.00 0.22 H new ATOM 0 HG LEU B 50 143.218 -0.153 -1.559 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.428 -1.733 0.200 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.600 -0.163 0.326 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.761 -1.556 -0.397 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.168 -2.598 -2.018 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.509 -2.445 -2.642 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.858 -1.658 -3.496 1.00 0.27 H new ATOM 2183 N VAL B 51 140.770 3.016 -3.939 1.00 0.21 N ATOM 2184 CA VAL B 51 139.814 3.947 -4.621 1.00 0.23 C ATOM 2185 C VAL B 51 140.307 4.281 -6.041 1.00 0.23 C ATOM 2186 O VAL B 51 139.538 4.679 -6.894 1.00 0.25 O ATOM 2187 CB VAL B 51 139.689 5.240 -3.800 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.919 6.300 -4.595 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.933 4.947 -2.503 1.00 0.27 C ATOM 0 H VAL B 51 141.267 3.417 -3.144 1.00 0.21 H new ATOM 0 HA VAL B 51 138.841 3.462 -4.696 1.00 0.23 H new ATOM 0 HB VAL B 51 140.689 5.613 -3.576 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.837 7.211 -4.002 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.450 6.516 -5.522 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.921 5.927 -4.827 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.843 5.863 -1.919 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.939 4.568 -2.739 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.478 4.200 -1.925 1.00 0.27 H new ATOM 2199 N LEU B 52 141.583 4.144 -6.293 1.00 0.22 N ATOM 2200 CA LEU B 52 142.117 4.480 -7.657 1.00 0.23 C ATOM 2201 C LEU B 52 142.118 3.242 -8.559 1.00 0.23 C ATOM 2202 O LEU B 52 142.731 3.239 -9.607 1.00 0.24 O ATOM 2203 CB LEU B 52 143.545 5.028 -7.547 1.00 0.24 C ATOM 2204 CG LEU B 52 143.555 6.371 -6.796 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.000 6.867 -6.690 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.704 7.419 -7.545 1.00 0.27 C ATOM 0 H LEU B 52 142.278 3.817 -5.622 1.00 0.22 H new ATOM 0 HA LEU B 52 141.469 5.238 -8.096 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.177 4.309 -7.025 1.00 0.24 H new ATOM 0 HB3 LEU B 52 143.967 5.159 -8.543 1.00 0.24 H new ATOM 0 HG LEU B 52 143.131 6.228 -5.802 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.020 7.819 -6.159 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.597 6.135 -6.145 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.413 7.000 -7.690 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.724 8.362 -6.998 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.111 7.571 -8.545 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.676 7.065 -7.622 1.00 0.27 H new ATOM 2218 N LYS B 53 141.430 2.200 -8.188 1.00 0.23 N ATOM 2219 CA LYS B 53 141.395 0.992 -9.062 1.00 0.24 C ATOM 2220 C LYS B 53 142.806 0.615 -9.523 1.00 0.24 C ATOM 2221 O LYS B 53 143.016 0.278 -10.671 1.00 0.30 O ATOM 2222 CB LYS B 53 140.519 1.277 -10.282 1.00 0.29 C ATOM 2223 CG LYS B 53 139.058 1.372 -9.840 1.00 0.39 C ATOM 2224 CD LYS B 53 138.183 1.783 -11.027 1.00 0.48 C ATOM 2225 CE LYS B 53 138.281 0.733 -12.142 1.00 0.92 C ATOM 2226 NZ LYS B 53 137.057 0.801 -12.989 1.00 1.71 N ATOM 0 H LYS B 53 140.893 2.130 -7.324 1.00 0.23 H new ATOM 0 HA LYS B 53 140.982 0.159 -8.493 1.00 0.24 H new ATOM 0 HB2 LYS B 53 140.829 2.207 -10.758 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.637 0.486 -11.022 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.725 0.412 -9.446 1.00 0.39 H new ATOM 0 HG3 LYS B 53 138.959 2.099 -9.034 1.00 0.39 H new ATOM 0 HD2 LYS B 53 137.147 1.888 -10.706 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.500 2.755 -11.403 1.00 0.48 H new ATOM 0 HE2 LYS B 53 139.168 0.912 -12.749 1.00 0.92 H new ATOM 0 HE3 LYS B 53 138.385 -0.263 -11.712 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 136.688 -0.159 -13.144 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.335 1.376 -12.510 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 137.292 1.233 -13.905 1.00 1.71 H new ATOM 2240 N LYS B 54 143.773 0.669 -8.639 1.00 0.23 N ATOM 2241 CA LYS B 54 145.179 0.306 -9.005 1.00 0.26 C ATOM 2242 C LYS B 54 145.677 1.188 -10.150 1.00 0.28 C ATOM 2243 O LYS B 54 146.634 0.847 -10.818 1.00 0.34 O ATOM 2244 CB LYS B 54 145.257 -1.165 -9.440 1.00 0.36 C ATOM 2245 CG LYS B 54 144.828 -2.076 -8.291 1.00 0.67 C ATOM 2246 CD LYS B 54 144.914 -3.535 -8.750 1.00 0.83 C ATOM 2247 CE LYS B 54 144.488 -4.459 -7.608 1.00 1.41 C ATOM 2248 NZ LYS B 54 143.007 -4.404 -7.450 1.00 2.25 N ATOM 0 H LYS B 54 143.646 0.953 -7.667 1.00 0.23 H new ATOM 0 HA LYS B 54 145.806 0.460 -8.127 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.615 -1.331 -10.305 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.274 -1.408 -9.747 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.469 -1.916 -7.424 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.810 -1.838 -7.982 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.272 -3.692 -9.617 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.932 -3.770 -9.060 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.804 -5.481 -7.816 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.975 -4.157 -6.681 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 142.698 -5.162 -6.808 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 142.734 -3.482 -7.054 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 142.554 -4.530 -8.378 1.00 2.25 H new ATOM 2262 N ASP B 55 145.076 2.319 -10.388 1.00 0.30 N ATOM 2263 CA ASP B 55 145.591 3.177 -11.491 1.00 0.39 C ATOM 2264 C ASP B 55 146.956 3.726 -11.060 1.00 0.38 C ATOM 2265 O ASP B 55 147.058 4.594 -10.215 1.00 0.37 O ATOM 2266 CB ASP B 55 144.612 4.317 -11.763 1.00 0.47 C ATOM 2267 CG ASP B 55 145.136 5.181 -12.913 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.343 5.346 -13.006 1.00 1.80 O ATOM 2269 OD2 ASP B 55 144.324 5.658 -13.688 1.00 1.54 O ATOM 0 H ASP B 55 144.269 2.681 -9.880 1.00 0.30 H new ATOM 0 HA ASP B 55 145.696 2.601 -12.410 1.00 0.39 H new ATOM 0 HB2 ASP B 55 143.631 3.915 -12.015 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.487 4.924 -10.866 1.00 0.47 H new ATOM 2274 N GLU B 56 148.001 3.180 -11.612 1.00 0.39 N ATOM 2275 CA GLU B 56 149.387 3.594 -11.237 1.00 0.38 C ATOM 2276 C GLU B 56 149.669 5.076 -11.532 1.00 0.38 C ATOM 2277 O GLU B 56 150.326 5.744 -10.763 1.00 0.38 O ATOM 2278 CB GLU B 56 150.379 2.725 -12.014 1.00 0.40 C ATOM 2279 CG GLU B 56 151.811 3.101 -11.630 1.00 0.41 C ATOM 2280 CD GLU B 56 152.782 2.096 -12.252 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.317 1.199 -12.937 1.00 0.88 O ATOM 2282 OE2 GLU B 56 153.973 2.233 -12.026 1.00 0.85 O ATOM 0 H GLU B 56 147.955 2.449 -12.322 1.00 0.39 H new ATOM 0 HA GLU B 56 149.496 3.459 -10.161 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.200 1.672 -11.798 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.233 2.860 -13.086 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.040 4.108 -11.977 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.920 3.106 -10.545 1.00 0.41 H new ATOM 2289 N ASP B 57 149.207 5.599 -12.634 1.00 0.40 N ATOM 2290 CA ASP B 57 149.499 7.034 -12.947 1.00 0.42 C ATOM 2291 C ASP B 57 148.733 7.952 -11.996 1.00 0.41 C ATOM 2292 O ASP B 57 149.251 8.947 -11.530 1.00 0.41 O ATOM 2293 CB ASP B 57 149.066 7.334 -14.383 1.00 0.45 C ATOM 2294 CG ASP B 57 149.999 6.624 -15.364 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.103 6.293 -14.968 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.590 6.419 -16.496 1.00 0.74 O ATOM 0 H ASP B 57 148.645 5.105 -13.327 1.00 0.40 H new ATOM 0 HA ASP B 57 150.568 7.210 -12.830 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.039 7.004 -14.540 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.086 8.409 -14.561 1.00 0.45 H new ATOM 2301 N LEU B 58 147.521 7.624 -11.693 1.00 0.40 N ATOM 2302 CA LEU B 58 146.753 8.489 -10.759 1.00 0.40 C ATOM 2303 C LEU B 58 147.329 8.334 -9.354 1.00 0.38 C ATOM 2304 O LEU B 58 147.465 9.292 -8.617 1.00 0.38 O ATOM 2305 CB LEU B 58 145.278 8.096 -10.758 1.00 0.41 C ATOM 2306 CG LEU B 58 144.686 8.301 -12.160 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.257 7.752 -12.193 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.677 9.800 -12.521 1.00 0.55 C ATOM 0 H LEU B 58 147.026 6.804 -12.044 1.00 0.40 H new ATOM 0 HA LEU B 58 146.833 9.527 -11.082 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.170 7.054 -10.456 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.732 8.697 -10.031 1.00 0.41 H new ATOM 0 HG LEU B 58 145.299 7.769 -12.888 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.835 7.896 -13.187 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.270 6.688 -11.955 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.647 8.280 -11.460 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.255 9.932 -13.517 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.073 10.345 -11.796 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.697 10.184 -12.505 1.00 0.55 H new ATOM 2320 N PHE B 59 147.683 7.134 -8.980 1.00 0.37 N ATOM 2321 CA PHE B 59 148.267 6.922 -7.629 1.00 0.35 C ATOM 2322 C PHE B 59 149.578 7.701 -7.499 1.00 0.36 C ATOM 2323 O PHE B 59 149.794 8.413 -6.538 1.00 0.35 O ATOM 2324 CB PHE B 59 148.543 5.435 -7.410 1.00 0.35 C ATOM 2325 CG PHE B 59 149.186 5.247 -6.057 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.392 5.031 -4.925 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.579 5.304 -5.935 1.00 0.37 C ATOM 2328 CE1 PHE B 59 148.993 4.871 -3.671 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.179 5.142 -4.682 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.386 4.926 -3.549 1.00 0.37 C ATOM 0 H PHE B 59 147.592 6.294 -9.552 1.00 0.37 H new ATOM 0 HA PHE B 59 147.558 7.276 -6.881 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.614 4.868 -7.467 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.198 5.054 -8.194 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.317 4.988 -5.019 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.191 5.473 -6.809 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.381 4.705 -2.797 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.254 5.184 -4.589 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.849 4.802 -2.581 1.00 0.37 H new ATOM 2340 N ARG B 60 150.464 7.554 -8.452 1.00 0.38 N ATOM 2341 CA ARG B 60 151.769 8.269 -8.366 1.00 0.39 C ATOM 2342 C ARG B 60 151.546 9.778 -8.358 1.00 0.40 C ATOM 2343 O ARG B 60 152.155 10.500 -7.594 1.00 0.39 O ATOM 2344 CB ARG B 60 152.648 7.914 -9.569 1.00 0.43 C ATOM 2345 CG ARG B 60 153.122 6.463 -9.473 1.00 0.44 C ATOM 2346 CD ARG B 60 154.050 6.162 -10.651 1.00 0.51 C ATOM 2347 NE ARG B 60 153.319 6.362 -11.932 1.00 1.31 N ATOM 2348 CZ ARG B 60 153.987 6.526 -13.041 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.290 6.567 -13.018 1.00 1.15 N ATOM 2350 NH2 ARG B 60 153.350 6.664 -14.171 1.00 2.64 N ATOM 0 H ARG B 60 150.339 6.973 -9.281 1.00 0.38 H new ATOM 0 HA ARG B 60 152.262 7.963 -7.443 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.088 8.060 -10.493 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.508 8.582 -9.609 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.645 6.300 -8.531 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.267 5.786 -9.485 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.923 6.814 -10.614 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.415 5.137 -10.586 1.00 0.51 H new ATOM 0 HE ARG B 60 152.299 6.371 -11.943 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.788 6.471 -12.133 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.812 6.695 -13.885 1.00 1.15 H new ATOM 0 HH21 ARG B 60 152.330 6.644 -14.187 1.00 2.64 H new ATOM 0 HH22 ARG B 60 153.872 6.792 -15.038 1.00 2.64 H new ATOM 2364 N GLU B 61 150.675 10.267 -9.196 1.00 0.42 N ATOM 2365 CA GLU B 61 150.414 11.728 -9.225 1.00 0.44 C ATOM 2366 C GLU B 61 149.798 12.144 -7.891 1.00 0.42 C ATOM 2367 O GLU B 61 150.114 13.183 -7.346 1.00 0.43 O ATOM 2368 CB GLU B 61 149.448 12.046 -10.369 1.00 0.48 C ATOM 2369 CG GLU B 61 149.269 13.559 -10.485 1.00 1.30 C ATOM 2370 CD GLU B 61 148.344 13.873 -11.662 1.00 1.77 C ATOM 2371 OE1 GLU B 61 147.542 13.019 -12.005 1.00 2.38 O ATOM 2372 OE2 GLU B 61 148.448 14.965 -12.198 1.00 2.33 O ATOM 0 H GLU B 61 150.134 9.715 -9.862 1.00 0.42 H new ATOM 0 HA GLU B 61 151.344 12.274 -9.383 1.00 0.44 H new ATOM 0 HB2 GLU B 61 149.833 11.643 -11.306 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.485 11.569 -10.188 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.849 13.958 -9.562 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.236 14.041 -10.630 1.00 1.30 H new ATOM 2379 N TRP B 62 148.923 11.341 -7.361 1.00 0.40 N ATOM 2380 CA TRP B 62 148.289 11.691 -6.060 1.00 0.39 C ATOM 2381 C TRP B 62 149.341 11.774 -4.950 1.00 0.36 C ATOM 2382 O TRP B 62 149.382 12.721 -4.194 1.00 0.36 O ATOM 2383 CB TRP B 62 147.249 10.622 -5.692 1.00 0.38 C ATOM 2384 CG TRP B 62 146.788 10.837 -4.281 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.819 11.700 -3.896 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.285 10.209 -3.064 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.690 11.637 -2.519 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.571 10.731 -1.962 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.278 9.242 -2.813 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.832 10.311 -0.655 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.541 8.818 -1.502 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.819 9.350 -0.426 1.00 0.32 C ATOM 0 H TRP B 62 148.618 10.458 -7.770 1.00 0.40 H new ATOM 0 HA TRP B 62 147.806 12.663 -6.160 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.401 10.674 -6.375 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.682 9.627 -5.797 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.242 12.333 -4.554 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.025 12.192 -1.981 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.840 8.824 -3.635 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.275 10.726 0.172 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.305 8.077 -1.321 1.00 0.31 H new ATOM 0 HH2 TRP B 62 148.026 9.017 0.580 1.00 0.32 H new ATOM 2403 N LEU B 63 150.177 10.785 -4.836 1.00 0.34 N ATOM 2404 CA LEU B 63 151.204 10.806 -3.757 1.00 0.32 C ATOM 2405 C LEU B 63 152.224 11.918 -4.019 1.00 0.33 C ATOM 2406 O LEU B 63 152.549 12.694 -3.143 1.00 0.32 O ATOM 2407 CB LEU B 63 151.913 9.445 -3.716 1.00 0.31 C ATOM 2408 CG LEU B 63 152.981 9.429 -2.613 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.329 9.639 -1.236 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.704 8.077 -2.642 1.00 0.32 C ATOM 0 H LEU B 63 150.196 9.964 -5.440 1.00 0.34 H new ATOM 0 HA LEU B 63 150.721 10.998 -2.799 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.185 8.654 -3.537 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.376 9.240 -4.681 1.00 0.31 H new ATOM 0 HG LEU B 63 153.693 10.236 -2.787 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.098 9.625 -0.463 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.815 10.600 -1.220 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.611 8.841 -1.048 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.465 8.055 -1.862 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.985 7.276 -2.470 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.177 7.938 -3.614 1.00 0.32 H new ATOM 2422 N LYS B 64 152.729 12.004 -5.218 1.00 0.35 N ATOM 2423 CA LYS B 64 153.724 13.069 -5.532 1.00 0.37 C ATOM 2424 C LYS B 64 153.071 14.442 -5.382 1.00 0.38 C ATOM 2425 O LYS B 64 153.626 15.349 -4.794 1.00 0.38 O ATOM 2426 CB LYS B 64 154.250 12.892 -6.962 1.00 0.41 C ATOM 2427 CG LYS B 64 155.275 13.991 -7.279 1.00 0.43 C ATOM 2428 CD LYS B 64 155.796 13.810 -8.703 1.00 0.68 C ATOM 2429 CE LYS B 64 156.778 14.936 -9.033 1.00 1.24 C ATOM 2430 NZ LYS B 64 156.027 16.212 -9.214 1.00 2.10 N ATOM 0 H LYS B 64 152.497 11.384 -5.994 1.00 0.35 H new ATOM 0 HA LYS B 64 154.561 12.992 -4.838 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.711 11.910 -7.071 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.424 12.937 -7.671 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.815 14.973 -7.171 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.102 13.947 -6.570 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.289 12.843 -8.801 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.966 13.818 -9.409 1.00 0.68 H new ATOM 0 HE2 LYS B 64 157.509 15.042 -8.232 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.332 14.696 -9.940 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 156.634 16.907 -9.695 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 155.178 16.037 -9.789 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 155.745 16.584 -8.285 1.00 2.10 H new ATOM 2444 N ASP B 65 151.894 14.598 -5.921 1.00 0.41 N ATOM 2445 CA ASP B 65 151.192 15.907 -5.827 1.00 0.44 C ATOM 2446 C ASP B 65 150.770 16.168 -4.383 1.00 0.43 C ATOM 2447 O ASP B 65 150.657 17.300 -3.955 1.00 0.45 O ATOM 2448 CB ASP B 65 149.952 15.887 -6.724 1.00 0.48 C ATOM 2449 CG ASP B 65 149.313 17.277 -6.738 1.00 1.17 C ATOM 2450 OD1 ASP B 65 148.776 17.671 -5.715 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.371 17.925 -7.770 1.00 1.41 O ATOM 0 H ASP B 65 151.386 13.871 -6.425 1.00 0.41 H new ATOM 0 HA ASP B 65 151.867 16.699 -6.152 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.227 15.591 -7.736 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.237 15.150 -6.359 1.00 0.48 H new ATOM 2456 N THR B 66 150.501 15.133 -3.636 1.00 0.39 N ATOM 2457 CA THR B 66 150.048 15.326 -2.231 1.00 0.39 C ATOM 2458 C THR B 66 151.224 15.661 -1.312 1.00 0.38 C ATOM 2459 O THR B 66 151.065 16.428 -0.383 1.00 0.40 O ATOM 2460 CB THR B 66 149.354 14.053 -1.736 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.186 13.823 -2.512 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.960 14.220 -0.267 1.00 0.38 C ATOM 0 H THR B 66 150.576 14.162 -3.939 1.00 0.39 H new ATOM 0 HA THR B 66 149.349 16.162 -2.209 1.00 0.39 H new ATOM 0 HB THR B 66 150.035 13.207 -1.835 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.443 13.597 -3.430 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.467 13.313 0.083 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.853 14.401 0.331 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.279 15.065 -0.167 1.00 0.38 H new ATOM 2470 N CYS B 67 152.392 15.085 -1.513 1.00 0.36 N ATOM 2471 CA CYS B 67 153.542 15.375 -0.591 1.00 0.37 C ATOM 2472 C CYS B 67 154.812 15.737 -1.366 1.00 0.37 C ATOM 2473 O CYS B 67 155.644 16.479 -0.884 1.00 0.39 O ATOM 2474 CB CYS B 67 153.820 14.135 0.261 1.00 0.36 C ATOM 2475 SG CYS B 67 154.032 12.697 -0.817 1.00 0.36 S ATOM 0 H CYS B 67 152.596 14.432 -2.270 1.00 0.36 H new ATOM 0 HA CYS B 67 153.270 16.226 0.033 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.716 14.287 0.862 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.996 13.965 0.954 1.00 0.36 H new ATOM 0 HG CYS B 67 153.132 12.721 -1.754 1.00 0.36 H new ATOM 2481 N GLY B 68 154.975 15.212 -2.558 1.00 0.35 N ATOM 2482 CA GLY B 68 156.199 15.515 -3.367 1.00 0.36 C ATOM 2483 C GLY B 68 157.084 14.268 -3.434 1.00 0.34 C ATOM 2484 O GLY B 68 158.244 14.340 -3.790 1.00 0.33 O ATOM 0 H GLY B 68 154.309 14.583 -3.007 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.916 15.828 -4.372 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.750 16.342 -2.918 1.00 0.36 H new ATOM 2488 N ALA B 69 156.552 13.120 -3.101 1.00 0.32 N ATOM 2489 CA ALA B 69 157.375 11.878 -3.156 1.00 0.31 C ATOM 2490 C ALA B 69 158.027 11.770 -4.534 1.00 0.31 C ATOM 2491 O ALA B 69 157.539 12.318 -5.503 1.00 0.32 O ATOM 2492 CB ALA B 69 156.482 10.660 -2.911 1.00 0.31 C ATOM 0 H ALA B 69 155.588 12.991 -2.795 1.00 0.32 H new ATOM 0 HA ALA B 69 158.148 11.915 -2.388 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.085 9.753 -2.952 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.016 10.742 -1.929 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.708 10.616 -3.678 1.00 0.31 H new ATOM 2498 N ASN B 70 159.136 11.087 -4.635 1.00 0.29 N ATOM 2499 CA ASN B 70 159.823 10.972 -5.956 1.00 0.29 C ATOM 2500 C ASN B 70 159.275 9.767 -6.726 1.00 0.29 C ATOM 2501 O ASN B 70 158.553 8.948 -6.194 1.00 0.29 O ATOM 2502 CB ASN B 70 161.323 10.778 -5.726 1.00 0.29 C ATOM 2503 CG ASN B 70 161.882 11.973 -4.949 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.585 11.801 -3.973 1.00 1.91 O ATOM 2505 ND2 ASN B 70 161.598 13.184 -5.343 1.00 1.78 N ATOM 0 H ASN B 70 159.596 10.605 -3.863 1.00 0.29 H new ATOM 0 HA ASN B 70 159.647 11.880 -6.533 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.500 9.856 -5.172 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.838 10.680 -6.682 1.00 0.29 H new ATOM 0 HD21 ASN B 70 161.966 13.986 -4.832 1.00 1.78 H new ATOM 0 HD22 ASN B 70 161.008 13.329 -6.162 1.00 1.78 H new ATOM 2512 N ALA B 71 159.614 9.664 -7.982 1.00 0.31 N ATOM 2513 CA ALA B 71 159.119 8.526 -8.807 1.00 0.33 C ATOM 2514 C ALA B 71 159.601 7.200 -8.219 1.00 0.31 C ATOM 2515 O ALA B 71 158.930 6.194 -8.314 1.00 0.31 O ATOM 2516 CB ALA B 71 159.644 8.664 -10.236 1.00 0.38 C ATOM 0 H ALA B 71 160.216 10.323 -8.475 1.00 0.31 H new ATOM 0 HA ALA B 71 158.029 8.541 -8.811 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.282 7.831 -10.839 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.291 9.602 -10.664 1.00 0.38 H new ATOM 0 HB3 ALA B 71 160.734 8.657 -10.225 1.00 0.38 H new ATOM 2522 N LYS B 72 160.759 7.179 -7.618 1.00 0.29 N ATOM 2523 CA LYS B 72 161.256 5.899 -7.041 1.00 0.28 C ATOM 2524 C LYS B 72 160.451 5.561 -5.786 1.00 0.26 C ATOM 2525 O LYS B 72 160.123 4.419 -5.531 1.00 0.26 O ATOM 2526 CB LYS B 72 162.738 6.037 -6.672 1.00 0.28 C ATOM 2527 CG LYS B 72 163.582 6.319 -7.925 1.00 1.18 C ATOM 2528 CD LYS B 72 163.767 5.038 -8.751 1.00 1.28 C ATOM 2529 CE LYS B 72 164.842 5.272 -9.815 1.00 2.10 C ATOM 2530 NZ LYS B 72 164.363 6.292 -10.791 1.00 2.57 N ATOM 0 H LYS B 72 161.376 7.983 -7.502 1.00 0.29 H new ATOM 0 HA LYS B 72 161.140 5.104 -7.777 1.00 0.28 H new ATOM 0 HB2 LYS B 72 162.865 6.845 -5.951 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.085 5.123 -6.191 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.097 7.083 -8.532 1.00 1.18 H new ATOM 0 HG3 LYS B 72 164.555 6.714 -7.633 1.00 1.18 H new ATOM 0 HD2 LYS B 72 164.056 4.212 -8.102 1.00 1.28 H new ATOM 0 HD3 LYS B 72 162.826 4.758 -9.224 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.766 5.609 -9.345 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.068 4.338 -10.330 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 165.013 6.329 -11.602 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 163.411 6.036 -11.122 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 164.331 7.224 -10.331 1.00 2.57 H new ATOM 2544 N GLN B 73 160.149 6.551 -4.989 1.00 0.25 N ATOM 2545 CA GLN B 73 159.388 6.304 -3.735 1.00 0.24 C ATOM 2546 C GLN B 73 157.957 5.886 -4.054 1.00 0.25 C ATOM 2547 O GLN B 73 157.389 5.037 -3.397 1.00 0.25 O ATOM 2548 CB GLN B 73 159.373 7.581 -2.889 1.00 0.26 C ATOM 2549 CG GLN B 73 160.776 7.851 -2.341 1.00 0.28 C ATOM 2550 CD GLN B 73 161.140 6.786 -1.305 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.556 6.729 -0.240 1.00 2.12 O ATOM 2552 NE2 GLN B 73 162.087 5.931 -1.575 1.00 1.89 N ATOM 0 H GLN B 73 160.400 7.526 -5.156 1.00 0.25 H new ATOM 0 HA GLN B 73 159.872 5.500 -3.181 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.039 8.425 -3.492 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.665 7.476 -2.067 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.502 7.844 -3.154 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.815 8.841 -1.887 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.577 5.978 -2.468 1.00 1.89 H new ATOM 0 HE22 GLN B 73 162.337 5.215 -0.893 1.00 1.89 H new ATOM 2561 N SER B 74 157.361 6.479 -5.052 1.00 0.26 N ATOM 2562 CA SER B 74 155.964 6.110 -5.392 1.00 0.27 C ATOM 2563 C SER B 74 155.932 4.688 -5.952 1.00 0.26 C ATOM 2564 O SER B 74 155.006 3.940 -5.708 1.00 0.26 O ATOM 2565 CB SER B 74 155.411 7.091 -6.424 1.00 0.30 C ATOM 2566 OG SER B 74 155.762 8.416 -6.046 1.00 1.36 O ATOM 0 H SER B 74 157.780 7.198 -5.641 1.00 0.26 H new ATOM 0 HA SER B 74 155.348 6.154 -4.494 1.00 0.27 H new ATOM 0 HB2 SER B 74 155.813 6.863 -7.411 1.00 0.30 H new ATOM 0 HB3 SER B 74 154.327 6.994 -6.491 1.00 0.30 H new ATOM 0 HG SER B 74 156.702 8.581 -6.268 1.00 1.36 H new ATOM 2572 N ARG B 75 156.934 4.300 -6.700 1.00 0.27 N ATOM 2573 CA ARG B 75 156.951 2.920 -7.262 1.00 0.27 C ATOM 2574 C ARG B 75 156.923 1.909 -6.120 1.00 0.26 C ATOM 2575 O ARG B 75 156.297 0.873 -6.223 1.00 0.26 O ATOM 2576 CB ARG B 75 158.215 2.713 -8.112 1.00 0.29 C ATOM 2577 CG ARG B 75 158.123 3.511 -9.425 1.00 0.32 C ATOM 2578 CD ARG B 75 157.308 2.728 -10.466 1.00 0.61 C ATOM 2579 NE ARG B 75 157.201 3.524 -11.721 1.00 1.35 N ATOM 2580 CZ ARG B 75 156.809 2.947 -12.824 1.00 1.82 C ATOM 2581 NH1 ARG B 75 156.542 1.669 -12.833 1.00 1.89 N ATOM 2582 NH2 ARG B 75 156.685 3.648 -13.918 1.00 2.81 N ATOM 0 H ARG B 75 157.738 4.879 -6.944 1.00 0.27 H new ATOM 0 HA ARG B 75 156.075 2.778 -7.895 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.094 3.029 -7.549 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.342 1.653 -8.333 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.656 4.478 -9.239 1.00 0.32 H new ATOM 0 HG3 ARG B 75 159.123 3.709 -9.810 1.00 0.32 H new ATOM 0 HD2 ARG B 75 157.786 1.770 -10.671 1.00 0.61 H new ATOM 0 HD3 ARG B 75 156.314 2.511 -10.076 1.00 0.61 H new ATOM 0 HE ARG B 75 157.433 4.517 -11.718 1.00 1.35 H new ATOM 0 HH11 ARG B 75 156.640 1.122 -11.978 1.00 1.89 H new ATOM 0 HH12 ARG B 75 156.236 1.218 -13.695 1.00 1.89 H new ATOM 0 HH21 ARG B 75 156.894 4.646 -13.911 1.00 2.81 H new ATOM 0 HH22 ARG B 75 156.379 3.198 -14.780 1.00 2.81 H new ATOM 2596 N ASP B 76 157.603 2.172 -5.040 1.00 0.24 N ATOM 2597 CA ASP B 76 157.622 1.203 -3.914 1.00 0.24 C ATOM 2598 C ASP B 76 156.243 1.116 -3.262 1.00 0.22 C ATOM 2599 O ASP B 76 155.793 0.045 -2.907 1.00 0.22 O ATOM 2600 CB ASP B 76 158.651 1.648 -2.873 1.00 0.23 C ATOM 2601 CG ASP B 76 160.061 1.468 -3.440 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.207 0.703 -4.379 1.00 0.40 O ATOM 2603 OD2 ASP B 76 160.970 2.097 -2.924 1.00 0.39 O ATOM 0 H ASP B 76 158.148 3.021 -4.890 1.00 0.24 H new ATOM 0 HA ASP B 76 157.891 0.220 -4.301 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.486 2.692 -2.606 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.537 1.063 -1.960 1.00 0.23 H new ATOM 2608 N CYS B 77 155.555 2.213 -3.101 1.00 0.22 N ATOM 2609 CA CYS B 77 154.208 2.139 -2.475 1.00 0.21 C ATOM 2610 C CYS B 77 153.238 1.443 -3.433 1.00 0.22 C ATOM 2611 O CYS B 77 152.419 0.649 -3.025 1.00 0.21 O ATOM 2612 CB CYS B 77 153.701 3.552 -2.184 1.00 0.22 C ATOM 2613 SG CYS B 77 154.670 4.277 -0.838 1.00 0.23 S ATOM 0 H CYS B 77 155.864 3.146 -3.373 1.00 0.22 H new ATOM 0 HA CYS B 77 154.273 1.575 -1.544 1.00 0.21 H new ATOM 0 HB2 CYS B 77 153.782 4.170 -3.078 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.646 3.522 -1.912 1.00 0.22 H new ATOM 0 HG CYS B 77 155.061 3.337 -0.030 1.00 0.23 H new ATOM 2619 N PHE B 78 153.310 1.730 -4.703 1.00 0.23 N ATOM 2620 CA PHE B 78 152.367 1.071 -5.646 1.00 0.25 C ATOM 2621 C PHE B 78 152.541 -0.446 -5.560 1.00 0.24 C ATOM 2622 O PHE B 78 151.619 -1.170 -5.240 1.00 0.23 O ATOM 2623 CB PHE B 78 152.664 1.546 -7.072 1.00 0.28 C ATOM 2624 CG PHE B 78 151.732 0.863 -8.045 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.500 1.445 -8.363 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.105 -0.353 -8.629 1.00 0.38 C ATOM 2627 CE1 PHE B 78 149.639 0.809 -9.267 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.245 -0.989 -9.531 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.012 -0.408 -9.851 1.00 0.42 C ATOM 0 H PHE B 78 153.971 2.383 -5.123 1.00 0.23 H new ATOM 0 HA PHE B 78 151.341 1.331 -5.384 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.543 2.627 -7.137 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.700 1.325 -7.330 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.213 2.383 -7.912 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.057 -0.800 -8.383 1.00 0.38 H new ATOM 0 HE1 PHE B 78 148.688 1.257 -9.513 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.532 -1.928 -9.980 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.349 -0.898 -10.548 1.00 0.42 H new ATOM 2639 N GLY B 79 153.715 -0.932 -5.855 1.00 0.25 N ATOM 2640 CA GLY B 79 153.957 -2.402 -5.805 1.00 0.25 C ATOM 2641 C GLY B 79 153.778 -2.935 -4.377 1.00 0.23 C ATOM 2642 O GLY B 79 153.322 -4.039 -4.174 1.00 0.24 O ATOM 0 H GLY B 79 154.521 -0.371 -6.130 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.267 -2.912 -6.478 1.00 0.25 H new ATOM 0 HA3 GLY B 79 154.965 -2.621 -6.156 1.00 0.25 H new ATOM 2646 N CYS B 80 154.133 -2.165 -3.388 1.00 0.22 N ATOM 2647 CA CYS B 80 153.976 -2.652 -1.983 1.00 0.21 C ATOM 2648 C CYS B 80 152.496 -2.756 -1.623 1.00 0.21 C ATOM 2649 O CYS B 80 152.039 -3.768 -1.130 1.00 0.22 O ATOM 2650 CB CYS B 80 154.664 -1.686 -1.021 1.00 0.22 C ATOM 2651 SG CYS B 80 154.459 -2.283 0.675 1.00 0.24 S ATOM 0 H CYS B 80 154.522 -1.227 -3.486 1.00 0.22 H new ATOM 0 HA CYS B 80 154.434 -3.638 -1.901 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.723 -1.605 -1.265 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.237 -0.688 -1.122 1.00 0.22 H new ATOM 0 HG CYS B 80 154.229 -1.276 1.465 1.00 0.24 H new ATOM 2657 N LEU B 81 151.737 -1.730 -1.878 1.00 0.21 N ATOM 2658 CA LEU B 81 150.287 -1.812 -1.555 1.00 0.21 C ATOM 2659 C LEU B 81 149.621 -2.794 -2.522 1.00 0.21 C ATOM 2660 O LEU B 81 148.761 -3.565 -2.143 1.00 0.22 O ATOM 2661 CB LEU B 81 149.636 -0.431 -1.694 1.00 0.22 C ATOM 2662 CG LEU B 81 150.297 0.572 -0.736 1.00 0.24 C ATOM 2663 CD1 LEU B 81 149.614 1.933 -0.893 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.171 0.089 0.721 1.00 0.28 C ATOM 0 H LEU B 81 152.050 -0.851 -2.290 1.00 0.21 H new ATOM 0 HA LEU B 81 150.161 -2.156 -0.528 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.731 -0.079 -2.721 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.570 -0.501 -1.478 1.00 0.22 H new ATOM 0 HG LEU B 81 151.356 0.658 -0.979 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.076 2.652 -0.217 1.00 0.29 H new ATOM 0 HD12 LEU B 81 149.724 2.279 -1.921 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.555 1.838 -0.653 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.645 0.811 1.386 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.117 -0.008 0.982 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.662 -0.878 0.827 1.00 0.28 H new ATOM 2676 N ARG B 82 150.009 -2.774 -3.770 1.00 0.22 N ATOM 2677 CA ARG B 82 149.392 -3.709 -4.754 1.00 0.24 C ATOM 2678 C ARG B 82 149.639 -5.154 -4.314 1.00 0.25 C ATOM 2679 O ARG B 82 148.771 -5.998 -4.407 1.00 0.26 O ATOM 2680 CB ARG B 82 150.012 -3.492 -6.138 1.00 0.28 C ATOM 2681 CG ARG B 82 149.272 -4.358 -7.162 1.00 0.32 C ATOM 2682 CD ARG B 82 149.876 -4.157 -8.552 1.00 0.85 C ATOM 2683 NE ARG B 82 149.136 -5.011 -9.526 1.00 1.42 N ATOM 2684 CZ ARG B 82 149.306 -4.846 -10.809 1.00 1.96 C ATOM 2685 NH1 ARG B 82 150.150 -3.953 -11.249 1.00 2.26 N ATOM 2686 NH2 ARG B 82 148.635 -5.580 -11.654 1.00 2.74 N ATOM 0 H ARG B 82 150.724 -2.153 -4.149 1.00 0.22 H new ATOM 0 HA ARG B 82 148.320 -3.517 -4.802 1.00 0.24 H new ATOM 0 HB2 ARG B 82 149.947 -2.441 -6.418 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.070 -3.752 -6.121 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.337 -5.408 -6.877 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.214 -4.096 -7.175 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.811 -3.109 -8.844 1.00 0.85 H new ATOM 0 HD3 ARG B 82 150.933 -4.421 -8.546 1.00 0.85 H new ATOM 0 HE ARG B 82 148.494 -5.727 -9.187 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.679 -3.382 -10.589 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.281 -3.826 -12.253 1.00 2.26 H new ATOM 0 HH21 ARG B 82 147.979 -6.282 -11.311 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.767 -5.452 -12.657 1.00 2.74 H new ATOM 2700 N GLU B 83 150.817 -5.446 -3.836 1.00 0.25 N ATOM 2701 CA GLU B 83 151.125 -6.835 -3.390 1.00 0.27 C ATOM 2702 C GLU B 83 150.356 -7.176 -2.111 1.00 0.27 C ATOM 2703 O GLU B 83 149.886 -8.285 -1.947 1.00 0.28 O ATOM 2704 CB GLU B 83 152.632 -6.977 -3.151 1.00 0.29 C ATOM 2705 CG GLU B 83 153.365 -6.966 -4.497 1.00 0.33 C ATOM 2706 CD GLU B 83 153.098 -8.279 -5.236 1.00 1.20 C ATOM 2707 OE1 GLU B 83 153.800 -9.240 -4.970 1.00 1.57 O ATOM 2708 OE2 GLU B 83 152.201 -8.298 -6.064 1.00 1.91 O ATOM 0 H GLU B 83 151.583 -4.780 -3.735 1.00 0.25 H new ATOM 0 HA GLU B 83 150.815 -7.530 -4.171 1.00 0.27 H new ATOM 0 HB2 GLU B 83 152.990 -6.161 -2.523 1.00 0.29 H new ATOM 0 HB3 GLU B 83 152.841 -7.905 -2.618 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.028 -6.123 -5.100 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.436 -6.837 -4.339 1.00 0.33 H new ATOM 2715 N TRP B 84 150.200 -6.245 -1.200 1.00 0.25 N ATOM 2716 CA TRP B 84 149.440 -6.546 0.049 1.00 0.25 C ATOM 2717 C TRP B 84 148.006 -6.936 -0.322 1.00 0.26 C ATOM 2718 O TRP B 84 147.435 -7.853 0.231 1.00 0.28 O ATOM 2719 CB TRP B 84 149.416 -5.307 0.949 1.00 0.25 C ATOM 2720 CG TRP B 84 148.738 -5.636 2.242 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.372 -6.066 3.358 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.319 -5.575 2.576 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.436 -6.268 4.355 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.157 -5.981 3.923 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.169 -5.210 1.852 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.902 -6.025 4.529 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.902 -5.255 2.460 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.769 -5.661 3.796 1.00 0.36 C ATOM 0 H TRP B 84 150.565 -5.295 -1.269 1.00 0.25 H new ATOM 0 HA TRP B 84 149.920 -7.366 0.582 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.433 -4.963 1.138 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.892 -4.493 0.449 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.436 -6.225 3.454 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.663 -6.590 5.296 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.260 -4.893 0.823 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.806 -6.338 5.558 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.025 -4.975 1.895 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.793 -5.692 4.257 1.00 0.36 H new ATOM 2739 N CYS B 85 147.420 -6.229 -1.253 1.00 0.27 N ATOM 2740 CA CYS B 85 146.018 -6.545 -1.655 1.00 0.30 C ATOM 2741 C CYS B 85 145.952 -7.960 -2.228 1.00 0.33 C ATOM 2742 O CYS B 85 145.025 -8.702 -1.975 1.00 0.36 O ATOM 2743 CB CYS B 85 145.548 -5.552 -2.720 1.00 0.33 C ATOM 2744 SG CYS B 85 145.287 -3.930 -1.965 1.00 0.33 S ATOM 0 H CYS B 85 147.850 -5.449 -1.751 1.00 0.27 H new ATOM 0 HA CYS B 85 145.374 -6.474 -0.779 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.289 -5.479 -3.516 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.623 -5.904 -3.177 1.00 0.33 H new ATOM 0 HG CYS B 85 146.432 -3.335 -1.808 1.00 0.33 H new ATOM 2750 N ASP B 86 146.931 -8.336 -2.995 1.00 0.34 N ATOM 2751 CA ASP B 86 146.935 -9.699 -3.591 1.00 0.40 C ATOM 2752 C ASP B 86 146.888 -10.747 -2.479 1.00 0.41 C ATOM 2753 O ASP B 86 146.362 -11.828 -2.653 1.00 0.43 O ATOM 2754 CB ASP B 86 148.212 -9.887 -4.412 1.00 0.42 C ATOM 2755 CG ASP B 86 148.150 -9.014 -5.667 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.054 -8.636 -6.048 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.198 -8.737 -6.226 1.00 0.52 O ATOM 0 H ASP B 86 147.734 -7.756 -3.237 1.00 0.34 H new ATOM 0 HA ASP B 86 146.063 -9.816 -4.234 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.083 -9.620 -3.814 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.326 -10.935 -4.691 1.00 0.42 H new ATOM 2762 N ALA B 87 147.461 -10.444 -1.344 1.00 0.40 N ATOM 2763 CA ALA B 87 147.481 -11.431 -0.222 1.00 0.43 C ATOM 2764 C ALA B 87 146.286 -11.232 0.721 1.00 0.43 C ATOM 2765 O ALA B 87 145.754 -12.183 1.258 1.00 0.47 O ATOM 2766 CB ALA B 87 148.776 -11.251 0.571 1.00 0.40 C ATOM 0 H ALA B 87 147.917 -9.554 -1.144 1.00 0.40 H new ATOM 0 HA ALA B 87 147.420 -12.434 -0.644 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.802 -11.966 1.393 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.630 -11.420 -0.084 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.820 -10.238 0.970 1.00 0.40 H new ATOM 2772 N PHE B 88 145.887 -10.005 0.965 1.00 0.39 N ATOM 2773 CA PHE B 88 144.755 -9.748 1.924 1.00 0.44 C ATOM 2774 C PHE B 88 143.457 -9.355 1.208 1.00 0.54 C ATOM 2775 O PHE B 88 142.436 -9.196 1.847 1.00 1.24 O ATOM 2776 CB PHE B 88 145.144 -8.605 2.865 1.00 0.41 C ATOM 2777 CG PHE B 88 146.230 -9.053 3.811 1.00 0.38 C ATOM 2778 CD1 PHE B 88 145.889 -9.628 5.041 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.576 -8.885 3.466 1.00 0.35 C ATOM 2780 CE1 PHE B 88 146.892 -10.036 5.925 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.580 -9.292 4.352 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.237 -9.867 5.581 1.00 0.44 C ATOM 0 H PHE B 88 146.293 -9.170 0.544 1.00 0.39 H new ATOM 0 HA PHE B 88 144.577 -10.675 2.469 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.488 -7.748 2.285 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.272 -8.278 3.431 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.850 -9.756 5.307 1.00 0.43 H new ATOM 0 HD2 PHE B 88 147.840 -8.442 2.517 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.628 -10.481 6.873 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.619 -9.162 4.087 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.012 -10.181 6.265 1.00 0.44 H new ATOM 2792 N LEU B 89 143.458 -9.195 -0.093 1.00 0.39 N ATOM 2793 CA LEU B 89 142.191 -8.809 -0.800 1.00 0.36 C ATOM 2794 C LEU B 89 141.553 -10.055 -1.417 1.00 0.87 C ATOM 2795 O LEU B 89 142.220 -10.711 -2.201 1.00 1.43 O ATOM 2796 CB LEU B 89 142.509 -7.781 -1.899 1.00 0.74 C ATOM 2797 CG LEU B 89 141.245 -6.971 -2.261 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.986 -5.865 -1.216 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.432 -6.322 -3.639 1.00 1.27 C ATOM 2800 OXT LEU B 89 140.409 -10.333 -1.097 1.00 1.67 O ATOM 0 H LEU B 89 144.273 -9.313 -0.694 1.00 0.39 H new ATOM 0 HA LEU B 89 141.494 -8.366 -0.089 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.295 -7.107 -1.559 1.00 0.74 H new ATOM 0 HB3 LEU B 89 142.888 -8.291 -2.785 1.00 0.74 H new ATOM 0 HG LEU B 89 140.392 -7.650 -2.276 1.00 0.47 H new ATOM 0 HD11 LEU B 89 140.091 -5.307 -1.491 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.844 -6.318 -0.235 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.840 -5.188 -1.183 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.540 -5.750 -3.896 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.295 -5.657 -3.614 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.593 -7.098 -4.388 1.00 1.27 H new