USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 TYR OH : rot 30:sc= -2.43! USER MOD Set 1.2: A 43 GLN : amide:sc= -1.35 X(o=-2.5,f=-2.7!) USER MOD Set 1.3: A 82 TYR OH : rot -78:sc= 1.27 USER MOD Set 2.1: A 80 SER OG : rot -100:sc= 1.34 USER MOD Set 2.2: A 81 ASN : amide:sc= -0.492 K(o=0.85,f=0.19) USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= -0.451 USER MOD Set 3.2: A 44 GLN : amide:sc= -1.34 K(o=-1.8,f=-0.74!) USER MOD Single : A 11 ASN : amide:sc= -3.12! C(o=-3.1!,f=-2.9!) USER MOD Single : A 37 LYS NZ :NH3+ -131:sc= 0.302 (180deg=-3.64!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.48) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.7) USER MOD Single : A 62 SER OG : rot 93:sc= 0.00574 USER MOD Single : A 63 LYS NZ :NH3+ 163:sc=-9.55e-05 (180deg=-0.11) USER MOD Single : A 64 THR OG1 : rot 60:sc= -1.98 USER MOD Single : A 70 ASN : amide:sc= -0.376 K(o=-0.38,f=-12!) USER MOD Single : A 73 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.87) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.839 -3.327 12.601 1.00 44.33 N ATOM 74 CA ARG A 5 -8.090 -2.456 11.703 1.00 11.44 C ATOM 75 C ARG A 5 -6.950 -3.215 11.032 1.00 63.41 C ATOM 76 O ARG A 5 -6.517 -4.271 11.496 1.00 53.23 O ATOM 77 CB ARG A 5 -7.534 -1.255 12.471 1.00 1.01 C ATOM 78 CG ARG A 5 -8.307 0.032 12.231 1.00 23.43 C ATOM 79 CD ARG A 5 -8.518 0.804 13.525 1.00 61.11 C ATOM 80 NE ARG A 5 -9.336 1.997 13.323 1.00 43.21 N ATOM 81 CZ ARG A 5 -9.497 2.941 14.243 1.00 53.23 C ATOM 82 NH1 ARG A 5 -8.899 2.833 15.421 1.00 21.03 N ATOM 83 NH2 ARG A 5 -10.258 3.998 13.984 1.00 23.21 N ATOM 0 HA ARG A 5 -8.772 -2.102 10.929 1.00 11.44 H new ATOM 0 HB2 ARG A 5 -7.543 -1.481 13.537 1.00 1.01 H new ATOM 0 HB3 ARG A 5 -6.493 -1.102 12.186 1.00 1.01 H new ATOM 0 HG2 ARG A 5 -7.767 0.655 11.518 1.00 23.43 H new ATOM 0 HG3 ARG A 5 -9.273 -0.200 11.783 1.00 23.43 H new ATOM 0 HD2 ARG A 5 -8.997 0.156 14.260 1.00 61.11 H new ATOM 0 HD3 ARG A 5 -7.551 1.093 13.937 1.00 61.11 H new ATOM 0 HE ARG A 5 -9.809 2.111 12.427 1.00 43.21 H new ATOM 0 HH11 ARG A 5 -8.313 2.023 15.623 1.00 21.03 H new ATOM 0 HH12 ARG A 5 -9.025 3.560 16.125 1.00 21.03 H new ATOM 0 HH21 ARG A 5 -10.719 4.085 13.078 1.00 23.21 H new ATOM 0 HH22 ARG A 5 -10.382 4.723 14.691 1.00 23.21 H new ATOM 97 N PRO A 6 -6.452 -2.670 9.913 1.00 20.13 N ATOM 98 CA PRO A 6 -5.356 -3.281 9.155 1.00 5.44 C ATOM 99 C PRO A 6 -4.027 -3.210 9.898 1.00 44.25 C ATOM 100 O PRO A 6 -3.882 -2.503 10.897 1.00 54.42 O ATOM 101 CB PRO A 6 -5.298 -2.439 7.876 1.00 34.33 C ATOM 102 CG PRO A 6 -5.872 -1.120 8.265 1.00 71.04 C ATOM 103 CD PRO A 6 -6.918 -1.413 9.304 1.00 1.02 C ATOM 0 HA PRO A 6 -5.526 -4.343 8.977 1.00 5.44 H new ATOM 0 HB2 PRO A 6 -4.274 -2.335 7.517 1.00 34.33 H new ATOM 0 HB3 PRO A 6 -5.873 -2.899 7.072 1.00 34.33 H new ATOM 0 HG2 PRO A 6 -5.100 -0.461 8.663 1.00 71.04 H new ATOM 0 HG3 PRO A 6 -6.309 -0.615 7.403 1.00 71.04 H new ATOM 0 HD2 PRO A 6 -6.989 -0.612 10.040 1.00 1.02 H new ATOM 0 HD3 PRO A 6 -7.907 -1.525 8.859 1.00 1.02 H new ATOM 111 N PRO A 7 -3.030 -3.960 9.403 1.00 10.14 N ATOM 112 CA PRO A 7 -1.694 -3.999 10.005 1.00 2.14 C ATOM 113 C PRO A 7 -0.935 -2.690 9.816 1.00 64.15 C ATOM 114 O PRO A 7 -1.334 -1.819 9.042 1.00 65.31 O ATOM 115 CB PRO A 7 -0.998 -5.134 9.251 1.00 73.35 C ATOM 116 CG PRO A 7 -1.703 -5.207 7.940 1.00 35.21 C ATOM 117 CD PRO A 7 -3.132 -4.827 8.217 1.00 2.43 C ATOM 0 HA PRO A 7 -1.737 -4.149 11.084 1.00 2.14 H new ATOM 0 HB2 PRO A 7 0.064 -4.928 9.118 1.00 73.35 H new ATOM 0 HB3 PRO A 7 -1.075 -6.076 9.795 1.00 73.35 H new ATOM 0 HG2 PRO A 7 -1.252 -4.528 7.216 1.00 35.21 H new ATOM 0 HG3 PRO A 7 -1.641 -6.210 7.519 1.00 35.21 H new ATOM 0 HD2 PRO A 7 -3.579 -4.302 7.373 1.00 2.43 H new ATOM 0 HD3 PRO A 7 -3.750 -5.703 8.412 1.00 2.43 H new ATOM 125 N PRO A 8 0.186 -2.546 10.539 1.00 3.23 N ATOM 126 CA PRO A 8 1.026 -1.347 10.467 1.00 54.50 C ATOM 127 C PRO A 8 1.754 -1.228 9.133 1.00 15.43 C ATOM 128 O PRO A 8 1.634 -2.098 8.270 1.00 5.22 O ATOM 129 CB PRO A 8 2.027 -1.545 11.607 1.00 34.12 C ATOM 130 CG PRO A 8 2.094 -3.021 11.799 1.00 33.42 C ATOM 131 CD PRO A 8 0.720 -3.542 11.482 1.00 42.24 C ATOM 0 HA PRO A 8 0.438 -0.433 10.552 1.00 54.50 H new ATOM 0 HB2 PRO A 8 3.004 -1.134 11.352 1.00 34.12 H new ATOM 0 HB3 PRO A 8 1.697 -1.042 12.516 1.00 34.12 H new ATOM 0 HG2 PRO A 8 2.841 -3.466 11.142 1.00 33.42 H new ATOM 0 HG3 PRO A 8 2.379 -3.269 12.821 1.00 33.42 H new ATOM 0 HD2 PRO A 8 0.760 -4.536 11.036 1.00 42.24 H new ATOM 0 HD3 PRO A 8 0.103 -3.619 12.377 1.00 42.24 H new ATOM 139 N VAL A 9 2.509 -0.147 8.969 1.00 23.53 N ATOM 140 CA VAL A 9 3.259 0.084 7.741 1.00 1.32 C ATOM 141 C VAL A 9 4.183 -1.089 7.432 1.00 30.13 C ATOM 142 O VAL A 9 4.751 -1.716 8.325 1.00 72.52 O ATOM 143 CB VAL A 9 4.097 1.373 7.829 1.00 24.15 C ATOM 144 CG1 VAL A 9 3.214 2.598 7.642 1.00 11.45 C ATOM 145 CG2 VAL A 9 4.838 1.438 9.156 1.00 70.12 C ATOM 0 H VAL A 9 2.617 0.584 9.672 1.00 23.53 H new ATOM 0 HA VAL A 9 2.528 0.188 6.939 1.00 1.32 H new ATOM 0 HB VAL A 9 4.835 1.361 7.027 1.00 24.15 H new ATOM 0 HG11 VAL A 9 3.824 3.499 7.707 1.00 11.45 H new ATOM 0 HG12 VAL A 9 2.734 2.555 6.664 1.00 11.45 H new ATOM 0 HG13 VAL A 9 2.451 2.619 8.420 1.00 11.45 H new ATOM 0 HG21 VAL A 9 5.425 2.355 9.200 1.00 70.12 H new ATOM 0 HG22 VAL A 9 4.119 1.427 9.975 1.00 70.12 H new ATOM 0 HG23 VAL A 9 5.502 0.578 9.245 1.00 70.12 H new ATOM 155 N PRO A 10 4.338 -1.394 6.135 1.00 2.41 N ATOM 156 CA PRO A 10 5.193 -2.493 5.676 1.00 2.15 C ATOM 157 C PRO A 10 6.674 -2.201 5.886 1.00 23.42 C ATOM 158 O PRO A 10 7.409 -1.948 4.932 1.00 32.24 O ATOM 159 CB PRO A 10 4.874 -2.591 4.183 1.00 54.31 C ATOM 160 CG PRO A 10 4.402 -1.229 3.805 1.00 4.52 C ATOM 161 CD PRO A 10 3.693 -0.686 5.015 1.00 34.13 C ATOM 0 HA PRO A 10 5.004 -3.414 6.227 1.00 2.15 H new ATOM 0 HB2 PRO A 10 5.755 -2.878 3.608 1.00 54.31 H new ATOM 0 HB3 PRO A 10 4.108 -3.343 3.990 1.00 54.31 H new ATOM 0 HG2 PRO A 10 5.239 -0.590 3.524 1.00 4.52 H new ATOM 0 HG3 PRO A 10 3.732 -1.273 2.947 1.00 4.52 H new ATOM 0 HD2 PRO A 10 3.813 0.394 5.100 1.00 34.13 H new ATOM 0 HD3 PRO A 10 2.622 -0.886 4.977 1.00 34.13 H new ATOM 169 N ASN A 11 7.107 -2.238 7.143 1.00 42.22 N ATOM 170 CA ASN A 11 8.503 -1.978 7.478 1.00 33.21 C ATOM 171 C ASN A 11 9.071 -0.859 6.611 1.00 62.32 C ATOM 172 O ASN A 11 9.711 -1.098 5.586 1.00 21.25 O ATOM 173 CB ASN A 11 9.338 -3.248 7.302 1.00 41.10 C ATOM 174 CG ASN A 11 9.134 -3.890 5.943 1.00 73.13 C ATOM 175 OD1 ASN A 11 9.872 -3.615 4.997 1.00 22.23 O ATOM 176 ND2 ASN A 11 8.127 -4.752 5.841 1.00 24.34 N ATOM 0 H ASN A 11 6.512 -2.445 7.945 1.00 42.22 H new ATOM 0 HA ASN A 11 8.547 -1.664 8.521 1.00 33.21 H new ATOM 0 HB2 ASN A 11 10.393 -3.007 7.432 1.00 41.10 H new ATOM 0 HB3 ASN A 11 9.076 -3.963 8.082 1.00 41.10 H new ATOM 0 HD21 ASN A 11 7.941 -5.216 4.952 1.00 24.34 H new ATOM 0 HD22 ASN A 11 7.541 -4.950 6.652 1.00 24.34 H new ATOM 183 N PRO A 12 8.835 0.393 7.030 1.00 32.32 N ATOM 184 CA PRO A 12 9.314 1.574 6.307 1.00 43.03 C ATOM 185 C PRO A 12 10.829 1.728 6.390 1.00 44.41 C ATOM 186 O PRO A 12 11.421 1.569 7.457 1.00 41.02 O ATOM 187 CB PRO A 12 8.619 2.735 7.022 1.00 30.14 C ATOM 188 CG PRO A 12 8.343 2.224 8.394 1.00 24.23 C ATOM 189 CD PRO A 12 8.080 0.752 8.243 1.00 54.55 C ATOM 0 HA PRO A 12 9.091 1.518 5.242 1.00 43.03 H new ATOM 0 HB2 PRO A 12 9.254 3.620 7.050 1.00 30.14 H new ATOM 0 HB3 PRO A 12 7.698 3.019 6.513 1.00 30.14 H new ATOM 0 HG2 PRO A 12 9.191 2.403 9.055 1.00 24.23 H new ATOM 0 HG3 PRO A 12 7.484 2.731 8.834 1.00 24.23 H new ATOM 0 HD2 PRO A 12 8.425 0.191 9.112 1.00 54.55 H new ATOM 0 HD3 PRO A 12 7.016 0.543 8.131 1.00 54.55 H new ATOM 197 N ASP A 13 11.450 2.041 5.258 1.00 25.34 N ATOM 198 CA ASP A 13 12.897 2.219 5.203 1.00 75.33 C ATOM 199 C ASP A 13 13.258 3.510 4.476 1.00 64.13 C ATOM 200 O ASP A 13 13.968 3.491 3.469 1.00 70.44 O ATOM 201 CB ASP A 13 13.553 1.026 4.506 1.00 40.40 C ATOM 202 CG ASP A 13 13.146 -0.299 5.121 1.00 63.43 C ATOM 203 OD1 ASP A 13 13.241 -0.431 6.360 1.00 50.12 O ATOM 204 OD2 ASP A 13 12.734 -1.204 4.366 1.00 12.51 O ATOM 0 H ASP A 13 10.974 2.177 4.366 1.00 25.34 H new ATOM 0 HA ASP A 13 13.270 2.282 6.225 1.00 75.33 H new ATOM 0 HB2 ASP A 13 13.282 1.032 3.450 1.00 40.40 H new ATOM 0 HB3 ASP A 13 14.637 1.130 4.558 1.00 40.40 H new ATOM 210 N TYR A 14 12.765 4.631 4.991 1.00 63.40 N ATOM 211 CA TYR A 14 13.034 5.931 4.389 1.00 63.21 C ATOM 212 C TYR A 14 13.941 6.769 5.284 1.00 10.15 C ATOM 213 O TYR A 14 14.444 7.815 4.874 1.00 50.02 O ATOM 214 CB TYR A 14 11.724 6.677 4.131 1.00 50.43 C ATOM 215 CG TYR A 14 10.736 6.581 5.272 1.00 62.12 C ATOM 216 CD1 TYR A 14 11.056 7.061 6.535 1.00 24.15 C ATOM 217 CD2 TYR A 14 9.485 6.009 5.086 1.00 75.40 C ATOM 218 CE1 TYR A 14 10.158 6.975 7.581 1.00 31.12 C ATOM 219 CE2 TYR A 14 8.578 5.918 6.126 1.00 4.45 C ATOM 220 CZ TYR A 14 8.920 6.403 7.372 1.00 3.41 C ATOM 221 OH TYR A 14 8.022 6.317 8.411 1.00 41.25 O ATOM 0 H TYR A 14 12.177 4.665 5.824 1.00 63.40 H new ATOM 0 HA TYR A 14 13.544 5.765 3.440 1.00 63.21 H new ATOM 0 HB2 TYR A 14 11.945 7.727 3.941 1.00 50.43 H new ATOM 0 HB3 TYR A 14 11.262 6.280 3.227 1.00 50.43 H new ATOM 0 HD1 TYR A 14 12.024 7.509 6.702 1.00 24.15 H new ATOM 0 HD2 TYR A 14 9.215 5.628 4.112 1.00 75.40 H new ATOM 0 HE1 TYR A 14 10.423 7.353 8.557 1.00 31.12 H new ATOM 0 HE2 TYR A 14 7.609 5.470 5.964 1.00 4.45 H new ATOM 0 HH TYR A 14 7.198 5.889 8.097 1.00 41.25 H new ATOM 491 N GLU A 31 4.048 8.387 -16.633 1.00 74.42 N ATOM 492 CA GLU A 31 2.734 8.960 -16.364 1.00 30.33 C ATOM 493 C GLU A 31 1.814 7.932 -15.715 1.00 15.21 C ATOM 494 O GLU A 31 0.855 7.465 -16.330 1.00 55.34 O ATOM 495 CB GLU A 31 2.104 9.479 -17.659 1.00 4.22 C ATOM 496 CG GLU A 31 3.063 10.284 -18.521 1.00 23.50 C ATOM 497 CD GLU A 31 3.462 9.554 -19.788 1.00 13.53 C ATOM 498 OE1 GLU A 31 3.701 8.330 -19.716 1.00 14.21 O ATOM 499 OE2 GLU A 31 3.533 10.204 -20.852 1.00 33.12 O ATOM 0 HA GLU A 31 2.864 9.792 -15.673 1.00 30.33 H new ATOM 0 HB2 GLU A 31 1.732 8.633 -18.237 1.00 4.22 H new ATOM 0 HB3 GLU A 31 1.243 10.099 -17.411 1.00 4.22 H new ATOM 0 HG2 GLU A 31 2.598 11.234 -18.785 1.00 23.50 H new ATOM 0 HG3 GLU A 31 3.957 10.516 -17.943 1.00 23.50 H new ATOM 506 N VAL A 32 2.113 7.581 -14.468 1.00 10.34 N ATOM 507 CA VAL A 32 1.312 6.608 -13.735 1.00 64.51 C ATOM 508 C VAL A 32 0.550 7.271 -12.593 1.00 63.21 C ATOM 509 O VAL A 32 0.940 8.334 -12.108 1.00 0.34 O ATOM 510 CB VAL A 32 2.189 5.476 -13.164 1.00 61.33 C ATOM 511 CG1 VAL A 32 1.325 4.315 -12.696 1.00 11.32 C ATOM 512 CG2 VAL A 32 3.202 5.015 -14.200 1.00 72.20 C ATOM 0 H VAL A 32 2.904 7.956 -13.945 1.00 10.34 H new ATOM 0 HA VAL A 32 0.601 6.185 -14.444 1.00 64.51 H new ATOM 0 HB VAL A 32 2.734 5.861 -12.302 1.00 61.33 H new ATOM 0 HG11 VAL A 32 1.962 3.526 -12.296 1.00 11.32 H new ATOM 0 HG12 VAL A 32 0.643 4.659 -11.919 1.00 11.32 H new ATOM 0 HG13 VAL A 32 0.751 3.927 -13.537 1.00 11.32 H new ATOM 0 HG21 VAL A 32 3.813 4.216 -13.781 1.00 72.20 H new ATOM 0 HG22 VAL A 32 2.678 4.647 -15.082 1.00 72.20 H new ATOM 0 HG23 VAL A 32 3.842 5.852 -14.481 1.00 72.20 H new ATOM 522 N ILE A 33 -0.536 6.636 -12.167 1.00 61.11 N ATOM 523 CA ILE A 33 -1.352 7.165 -11.081 1.00 61.33 C ATOM 524 C ILE A 33 -1.794 6.052 -10.135 1.00 35.13 C ATOM 525 O ILE A 33 -2.222 4.984 -10.572 1.00 62.01 O ATOM 526 CB ILE A 33 -2.597 7.895 -11.616 1.00 34.43 C ATOM 527 CG1 ILE A 33 -2.194 9.194 -12.316 1.00 64.42 C ATOM 528 CG2 ILE A 33 -3.573 8.178 -10.482 1.00 2.43 C ATOM 529 CD1 ILE A 33 -3.352 9.916 -12.967 1.00 61.35 C ATOM 0 H ILE A 33 -0.871 5.755 -12.557 1.00 61.11 H new ATOM 0 HA ILE A 33 -0.731 7.877 -10.537 1.00 61.33 H new ATOM 0 HB ILE A 33 -3.092 7.252 -12.344 1.00 34.43 H new ATOM 0 HG12 ILE A 33 -1.725 9.858 -11.590 1.00 64.42 H new ATOM 0 HG13 ILE A 33 -1.444 8.970 -13.074 1.00 64.42 H new ATOM 0 HG21 ILE A 33 -4.448 8.695 -10.876 1.00 2.43 H new ATOM 0 HG22 ILE A 33 -3.882 7.238 -10.024 1.00 2.43 H new ATOM 0 HG23 ILE A 33 -3.089 8.804 -9.733 1.00 2.43 H new ATOM 0 HD11 ILE A 33 -2.991 10.828 -13.443 1.00 61.35 H new ATOM 0 HD12 ILE A 33 -3.808 9.270 -13.718 1.00 61.35 H new ATOM 0 HD13 ILE A 33 -4.093 10.171 -12.210 1.00 61.35 H new ATOM 541 N VAL A 34 -1.691 6.313 -8.836 1.00 62.22 N ATOM 542 CA VAL A 34 -2.083 5.335 -7.827 1.00 21.13 C ATOM 543 C VAL A 34 -3.354 5.770 -7.106 1.00 4.12 C ATOM 544 O VAL A 34 -3.861 6.870 -7.329 1.00 65.33 O ATOM 545 CB VAL A 34 -0.964 5.119 -6.790 1.00 2.14 C ATOM 546 CG1 VAL A 34 -1.114 6.096 -5.633 1.00 64.22 C ATOM 547 CG2 VAL A 34 -0.972 3.683 -6.290 1.00 30.02 C ATOM 0 H VAL A 34 -1.340 7.193 -8.457 1.00 62.22 H new ATOM 0 HA VAL A 34 -2.269 4.397 -8.350 1.00 21.13 H new ATOM 0 HB VAL A 34 -0.004 5.307 -7.271 1.00 2.14 H new ATOM 0 HG11 VAL A 34 -0.315 5.929 -4.910 1.00 64.22 H new ATOM 0 HG12 VAL A 34 -1.055 7.117 -6.009 1.00 64.22 H new ATOM 0 HG13 VAL A 34 -2.079 5.942 -5.150 1.00 64.22 H new ATOM 0 HG21 VAL A 34 -0.175 3.548 -5.558 1.00 30.02 H new ATOM 0 HG22 VAL A 34 -1.933 3.465 -5.824 1.00 30.02 H new ATOM 0 HG23 VAL A 34 -0.813 3.005 -7.128 1.00 30.02 H new ATOM 557 N ILE A 35 -3.863 4.900 -6.239 1.00 4.51 N ATOM 558 CA ILE A 35 -5.073 5.194 -5.484 1.00 25.35 C ATOM 559 C ILE A 35 -4.974 4.665 -4.058 1.00 25.21 C ATOM 560 O ILE A 35 -4.845 3.459 -3.840 1.00 4.45 O ATOM 561 CB ILE A 35 -6.319 4.591 -6.159 1.00 4.43 C ATOM 562 CG1 ILE A 35 -6.466 5.130 -7.583 1.00 33.04 C ATOM 563 CG2 ILE A 35 -7.564 4.896 -5.340 1.00 71.51 C ATOM 564 CD1 ILE A 35 -7.668 4.578 -8.317 1.00 12.42 C ATOM 0 H ILE A 35 -3.455 3.986 -6.043 1.00 4.51 H new ATOM 0 HA ILE A 35 -5.173 6.279 -5.460 1.00 25.35 H new ATOM 0 HB ILE A 35 -6.198 3.509 -6.211 1.00 4.43 H new ATOM 0 HG12 ILE A 35 -6.541 6.217 -7.546 1.00 33.04 H new ATOM 0 HG13 ILE A 35 -5.565 4.892 -8.148 1.00 33.04 H new ATOM 0 HG21 ILE A 35 -8.437 4.463 -5.830 1.00 71.51 H new ATOM 0 HG22 ILE A 35 -7.458 4.468 -4.343 1.00 71.51 H new ATOM 0 HG23 ILE A 35 -7.691 5.976 -5.259 1.00 71.51 H new ATOM 0 HD11 ILE A 35 -7.709 5.004 -9.320 1.00 12.42 H new ATOM 0 HD12 ILE A 35 -7.585 3.493 -8.386 1.00 12.42 H new ATOM 0 HD13 ILE A 35 -8.577 4.839 -7.775 1.00 12.42 H new ATOM 576 N ALA A 36 -5.037 5.572 -3.089 1.00 34.02 N ATOM 577 CA ALA A 36 -4.958 5.195 -1.683 1.00 25.24 C ATOM 578 C ALA A 36 -6.207 4.436 -1.247 1.00 4.13 C ATOM 579 O ALA A 36 -7.300 4.999 -1.190 1.00 23.13 O ATOM 580 CB ALA A 36 -4.760 6.430 -0.815 1.00 52.32 C ATOM 0 H ALA A 36 -5.143 6.573 -3.252 1.00 34.02 H new ATOM 0 HA ALA A 36 -4.100 4.534 -1.558 1.00 25.24 H new ATOM 0 HB1 ALA A 36 -4.703 6.133 0.232 1.00 52.32 H new ATOM 0 HB2 ALA A 36 -3.835 6.931 -1.101 1.00 52.32 H new ATOM 0 HB3 ALA A 36 -5.600 7.111 -0.954 1.00 52.32 H new ATOM 586 N LYS A 37 -6.037 3.154 -0.942 1.00 21.21 N ATOM 587 CA LYS A 37 -7.150 2.317 -0.510 1.00 74.22 C ATOM 588 C LYS A 37 -7.910 2.970 0.638 1.00 72.10 C ATOM 589 O LYS A 37 -9.132 2.850 0.734 1.00 2.10 O ATOM 590 CB LYS A 37 -6.641 0.938 -0.080 1.00 0.33 C ATOM 591 CG LYS A 37 -5.906 0.191 -1.180 1.00 21.53 C ATOM 592 CD LYS A 37 -5.650 -1.257 -0.795 1.00 24.53 C ATOM 593 CE LYS A 37 -4.171 -1.514 -0.548 1.00 2.30 C ATOM 594 NZ LYS A 37 -3.561 -2.325 -1.638 1.00 12.33 N ATOM 0 H LYS A 37 -5.139 2.672 -0.986 1.00 21.21 H new ATOM 0 HA LYS A 37 -7.832 2.200 -1.353 1.00 74.22 H new ATOM 0 HB2 LYS A 37 -5.975 1.056 0.775 1.00 0.33 H new ATOM 0 HB3 LYS A 37 -7.486 0.336 0.255 1.00 0.33 H new ATOM 0 HG2 LYS A 37 -6.491 0.226 -2.099 1.00 21.53 H new ATOM 0 HG3 LYS A 37 -4.958 0.687 -1.387 1.00 21.53 H new ATOM 0 HD2 LYS A 37 -6.218 -1.502 0.102 1.00 24.53 H new ATOM 0 HD3 LYS A 37 -6.007 -1.914 -1.588 1.00 24.53 H new ATOM 0 HE2 LYS A 37 -3.646 -0.563 -0.465 1.00 2.30 H new ATOM 0 HE3 LYS A 37 -4.046 -2.031 0.403 1.00 2.30 H new ATOM 0 HZ1 LYS A 37 -3.020 -3.111 -1.225 1.00 12.33 H new ATOM 0 HZ2 LYS A 37 -4.311 -2.705 -2.249 1.00 12.33 H new ATOM 0 HZ3 LYS A 37 -2.925 -1.726 -2.202 1.00 12.33 H new ATOM 608 N TRP A 38 -7.181 3.663 1.506 1.00 42.02 N ATOM 609 CA TRP A 38 -7.789 4.337 2.647 1.00 25.35 C ATOM 610 C TRP A 38 -7.064 5.643 2.955 1.00 20.33 C ATOM 611 O TRP A 38 -6.227 6.099 2.177 1.00 40.35 O ATOM 612 CB TRP A 38 -7.767 3.425 3.875 1.00 13.43 C ATOM 613 CG TRP A 38 -7.593 1.977 3.536 1.00 11.03 C ATOM 614 CD1 TRP A 38 -6.426 1.265 3.551 1.00 13.54 C ATOM 615 CD2 TRP A 38 -8.617 1.062 3.129 1.00 3.21 C ATOM 616 NE1 TRP A 38 -6.664 -0.035 3.179 1.00 42.42 N ATOM 617 CE2 TRP A 38 -8.000 -0.185 2.915 1.00 72.31 C ATOM 618 CE3 TRP A 38 -9.995 1.175 2.927 1.00 63.01 C ATOM 619 CZ2 TRP A 38 -8.714 -1.310 2.509 1.00 14.40 C ATOM 620 CZ3 TRP A 38 -10.703 0.060 2.524 1.00 54.13 C ATOM 621 CH2 TRP A 38 -10.063 -1.169 2.318 1.00 70.33 C ATOM 0 H TRP A 38 -6.169 3.773 1.441 1.00 42.02 H new ATOM 0 HA TRP A 38 -8.824 4.568 2.394 1.00 25.35 H new ATOM 0 HB2 TRP A 38 -6.957 3.736 4.535 1.00 13.43 H new ATOM 0 HB3 TRP A 38 -8.697 3.552 4.429 1.00 13.43 H new ATOM 0 HD1 TRP A 38 -5.459 1.666 3.816 1.00 13.54 H new ATOM 0 HE1 TRP A 38 -5.960 -0.770 3.110 1.00 42.42 H new ATOM 0 HE3 TRP A 38 -10.498 2.118 3.083 1.00 63.01 H new ATOM 0 HZ2 TRP A 38 -8.222 -2.258 2.351 1.00 14.40 H new ATOM 0 HZ3 TRP A 38 -11.768 0.137 2.365 1.00 54.13 H new ATOM 0 HH2 TRP A 38 -10.645 -2.022 2.002 1.00 70.33 H new ATOM 632 N ASP A 39 -7.392 6.241 4.096 1.00 24.31 N ATOM 633 CA ASP A 39 -6.771 7.495 4.509 1.00 41.42 C ATOM 634 C ASP A 39 -5.669 7.245 5.533 1.00 51.42 C ATOM 635 O ASP A 39 -5.814 6.408 6.425 1.00 31.11 O ATOM 636 CB ASP A 39 -7.821 8.441 5.093 1.00 73.13 C ATOM 637 CG ASP A 39 -7.222 9.751 5.564 1.00 42.31 C ATOM 638 OD1 ASP A 39 -6.423 9.727 6.524 1.00 53.51 O ATOM 639 OD2 ASP A 39 -7.551 10.801 4.973 1.00 30.22 O ATOM 0 H ASP A 39 -8.084 5.878 4.751 1.00 24.31 H new ATOM 0 HA ASP A 39 -6.326 7.958 3.628 1.00 41.42 H new ATOM 0 HB2 ASP A 39 -8.583 8.643 4.340 1.00 73.13 H new ATOM 0 HB3 ASP A 39 -8.321 7.952 5.929 1.00 73.13 H new ATOM 645 N TYR A 40 -4.566 7.973 5.397 1.00 23.40 N ATOM 646 CA TYR A 40 -3.437 7.827 6.309 1.00 50.14 C ATOM 647 C TYR A 40 -3.027 9.178 6.887 1.00 11.44 C ATOM 648 O TYR A 40 -3.411 10.230 6.376 1.00 43.11 O ATOM 649 CB TYR A 40 -2.250 7.188 5.586 1.00 51.42 C ATOM 650 CG TYR A 40 -1.437 6.261 6.460 1.00 43.32 C ATOM 651 CD1 TYR A 40 -2.045 5.240 7.179 1.00 70.01 C ATOM 652 CD2 TYR A 40 -0.059 6.406 6.567 1.00 42.23 C ATOM 653 CE1 TYR A 40 -1.305 4.392 7.980 1.00 53.12 C ATOM 654 CE2 TYR A 40 0.688 5.562 7.364 1.00 44.42 C ATOM 655 CZ TYR A 40 0.061 4.557 8.069 1.00 53.13 C ATOM 656 OH TYR A 40 0.802 3.712 8.865 1.00 54.12 O ATOM 0 H TYR A 40 -4.429 8.670 4.665 1.00 23.40 H new ATOM 0 HA TYR A 40 -3.746 7.179 7.129 1.00 50.14 H new ATOM 0 HB2 TYR A 40 -2.617 6.632 4.724 1.00 51.42 H new ATOM 0 HB3 TYR A 40 -1.601 7.976 5.204 1.00 51.42 H new ATOM 0 HD1 TYR A 40 -3.115 5.107 7.111 1.00 70.01 H new ATOM 0 HD2 TYR A 40 0.436 7.193 6.017 1.00 42.23 H new ATOM 0 HE1 TYR A 40 -1.794 3.604 8.534 1.00 53.12 H new ATOM 0 HE2 TYR A 40 1.758 5.688 7.435 1.00 44.42 H new ATOM 0 HH TYR A 40 0.368 2.834 8.902 1.00 54.12 H new ATOM 666 N THR A 41 -2.241 9.141 7.959 1.00 2.31 N ATOM 667 CA THR A 41 -1.777 10.360 8.609 1.00 52.02 C ATOM 668 C THR A 41 -0.258 10.464 8.561 1.00 2.34 C ATOM 669 O THR A 41 0.451 9.523 8.914 1.00 12.14 O ATOM 670 CB THR A 41 -2.238 10.424 10.078 1.00 44.34 C ATOM 671 OG1 THR A 41 -3.561 9.890 10.199 1.00 0.40 O ATOM 672 CG2 THR A 41 -2.215 11.855 10.590 1.00 12.24 C ATOM 0 H THR A 41 -1.913 8.279 8.395 1.00 2.31 H new ATOM 0 HA THR A 41 -2.214 11.196 8.062 1.00 52.02 H new ATOM 0 HB THR A 41 -1.550 9.829 10.678 1.00 44.34 H new ATOM 0 HG1 THR A 41 -3.846 9.932 11.136 1.00 0.40 H new ATOM 0 HG21 THR A 41 -2.544 11.875 11.629 1.00 12.24 H new ATOM 0 HG22 THR A 41 -1.201 12.249 10.523 1.00 12.24 H new ATOM 0 HG23 THR A 41 -2.883 12.468 9.986 1.00 12.24 H new ATOM 680 N ALA A 42 0.238 11.619 8.123 1.00 70.10 N ATOM 681 CA ALA A 42 1.674 11.847 8.031 1.00 1.42 C ATOM 682 C ALA A 42 2.355 11.606 9.373 1.00 63.33 C ATOM 683 O ALA A 42 2.319 12.458 10.260 1.00 32.11 O ATOM 684 CB ALA A 42 1.953 13.261 7.542 1.00 73.15 C ATOM 0 H ALA A 42 -0.335 12.410 7.827 1.00 70.10 H new ATOM 0 HA ALA A 42 2.084 11.138 7.312 1.00 1.42 H new ATOM 0 HB1 ALA A 42 3.030 13.418 7.478 1.00 73.15 H new ATOM 0 HB2 ALA A 42 1.507 13.400 6.557 1.00 73.15 H new ATOM 0 HB3 ALA A 42 1.523 13.979 8.240 1.00 73.15 H new ATOM 690 N GLN A 43 2.975 10.438 9.516 1.00 51.34 N ATOM 691 CA GLN A 43 3.663 10.085 10.752 1.00 64.41 C ATOM 692 C GLN A 43 4.977 10.847 10.881 1.00 52.44 C ATOM 693 O GLN A 43 5.424 11.150 11.986 1.00 62.34 O ATOM 694 CB GLN A 43 3.926 8.579 10.801 1.00 32.01 C ATOM 695 CG GLN A 43 4.643 8.045 9.572 1.00 21.05 C ATOM 696 CD GLN A 43 3.741 7.210 8.687 1.00 14.52 C ATOM 697 OE1 GLN A 43 3.313 6.121 9.067 1.00 61.43 O ATOM 698 NE2 GLN A 43 3.446 7.717 7.494 1.00 34.04 N ATOM 0 H GLN A 43 3.015 9.721 8.791 1.00 51.34 H new ATOM 0 HA GLN A 43 3.021 10.362 11.588 1.00 64.41 H new ATOM 0 HB2 GLN A 43 4.521 8.351 11.686 1.00 32.01 H new ATOM 0 HB3 GLN A 43 2.976 8.056 10.913 1.00 32.01 H new ATOM 0 HG2 GLN A 43 5.039 8.881 8.995 1.00 21.05 H new ATOM 0 HG3 GLN A 43 5.495 7.443 9.886 1.00 21.05 H new ATOM 0 HE21 GLN A 43 3.822 8.624 7.218 1.00 34.04 H new ATOM 0 HE22 GLN A 43 2.843 7.199 6.855 1.00 34.04 H new ATOM 707 N GLN A 44 5.593 11.151 9.743 1.00 43.51 N ATOM 708 CA GLN A 44 6.857 11.877 9.728 1.00 70.41 C ATOM 709 C GLN A 44 6.776 13.095 8.812 1.00 44.10 C ATOM 710 O GLN A 44 5.697 13.464 8.349 1.00 65.11 O ATOM 711 CB GLN A 44 7.993 10.958 9.275 1.00 22.24 C ATOM 712 CG GLN A 44 7.823 9.516 9.724 1.00 55.23 C ATOM 713 CD GLN A 44 9.141 8.855 10.077 1.00 20.03 C ATOM 714 OE1 GLN A 44 10.209 9.442 9.902 1.00 0.32 O ATOM 715 NE2 GLN A 44 9.072 7.628 10.580 1.00 63.44 N ATOM 0 H GLN A 44 5.237 10.906 8.819 1.00 43.51 H new ATOM 0 HA GLN A 44 7.060 12.221 10.742 1.00 70.41 H new ATOM 0 HB2 GLN A 44 8.060 10.986 8.187 1.00 22.24 H new ATOM 0 HB3 GLN A 44 8.937 11.342 9.663 1.00 22.24 H new ATOM 0 HG2 GLN A 44 7.162 9.485 10.590 1.00 55.23 H new ATOM 0 HG3 GLN A 44 7.337 8.948 8.931 1.00 55.23 H new ATOM 0 HE21 GLN A 44 8.165 7.180 10.708 1.00 63.44 H new ATOM 0 HE22 GLN A 44 9.926 7.134 10.838 1.00 63.44 H new ATOM 724 N ASP A 45 7.924 13.713 8.557 1.00 11.24 N ATOM 725 CA ASP A 45 7.983 14.889 7.696 1.00 61.24 C ATOM 726 C ASP A 45 8.194 14.487 6.240 1.00 64.41 C ATOM 727 O ASP A 45 7.851 15.233 5.325 1.00 43.42 O ATOM 728 CB ASP A 45 9.107 15.822 8.149 1.00 40.42 C ATOM 729 CG ASP A 45 8.705 16.682 9.330 1.00 32.33 C ATOM 730 OD1 ASP A 45 9.244 16.461 10.436 1.00 40.25 O ATOM 731 OD2 ASP A 45 7.852 17.576 9.151 1.00 64.00 O ATOM 0 H ASP A 45 8.825 13.420 8.934 1.00 11.24 H new ATOM 0 HA ASP A 45 7.031 15.414 7.774 1.00 61.24 H new ATOM 0 HB2 ASP A 45 9.982 15.229 8.416 1.00 40.42 H new ATOM 0 HB3 ASP A 45 9.399 16.464 7.318 1.00 40.42 H new ATOM 737 N GLN A 46 8.762 13.302 6.036 1.00 33.03 N ATOM 738 CA GLN A 46 9.021 12.801 4.691 1.00 74.04 C ATOM 739 C GLN A 46 7.777 12.140 4.108 1.00 73.14 C ATOM 740 O GLN A 46 7.614 12.066 2.890 1.00 64.40 O ATOM 741 CB GLN A 46 10.182 11.804 4.710 1.00 52.11 C ATOM 742 CG GLN A 46 11.354 12.220 3.836 1.00 15.43 C ATOM 743 CD GLN A 46 12.333 13.121 4.563 1.00 53.30 C ATOM 744 OE1 GLN A 46 12.700 12.861 5.709 1.00 42.23 O ATOM 745 NE2 GLN A 46 12.762 14.188 3.899 1.00 35.04 N ATOM 0 H GLN A 46 9.051 12.672 6.784 1.00 33.03 H new ATOM 0 HA GLN A 46 9.289 13.648 4.060 1.00 74.04 H new ATOM 0 HB2 GLN A 46 10.529 11.683 5.736 1.00 52.11 H new ATOM 0 HB3 GLN A 46 9.820 10.831 4.379 1.00 52.11 H new ATOM 0 HG2 GLN A 46 11.876 11.329 3.487 1.00 15.43 H new ATOM 0 HG3 GLN A 46 10.978 12.736 2.952 1.00 15.43 H new ATOM 0 HE21 GLN A 46 12.432 14.365 2.950 1.00 35.04 H new ATOM 0 HE22 GLN A 46 13.422 14.830 4.338 1.00 35.04 H new ATOM 754 N GLU A 47 6.900 11.659 4.985 1.00 50.40 N ATOM 755 CA GLU A 47 5.672 11.002 4.556 1.00 0.21 C ATOM 756 C GLU A 47 4.617 12.030 4.152 1.00 42.51 C ATOM 757 O GLU A 47 4.774 13.225 4.403 1.00 14.44 O ATOM 758 CB GLU A 47 5.127 10.110 5.673 1.00 43.21 C ATOM 759 CG GLU A 47 6.202 9.319 6.398 1.00 21.23 C ATOM 760 CD GLU A 47 7.260 8.776 5.459 1.00 2.30 C ATOM 761 OE1 GLU A 47 6.898 8.318 4.354 1.00 62.21 O ATOM 762 OE2 GLU A 47 8.454 8.810 5.828 1.00 40.22 O ATOM 0 H GLU A 47 7.018 11.713 5.997 1.00 50.40 H new ATOM 0 HA GLU A 47 5.905 10.385 3.688 1.00 0.21 H new ATOM 0 HB2 GLU A 47 4.595 10.730 6.395 1.00 43.21 H new ATOM 0 HB3 GLU A 47 4.400 9.417 5.251 1.00 43.21 H new ATOM 0 HG2 GLU A 47 6.676 9.957 7.144 1.00 21.23 H new ATOM 0 HG3 GLU A 47 5.739 8.491 6.935 1.00 21.23 H new ATOM 769 N LEU A 48 3.548 11.556 3.525 1.00 32.43 N ATOM 770 CA LEU A 48 2.468 12.432 3.085 1.00 21.12 C ATOM 771 C LEU A 48 1.114 11.903 3.547 1.00 14.12 C ATOM 772 O LEU A 48 0.926 10.695 3.695 1.00 20.12 O ATOM 773 CB LEU A 48 2.482 12.568 1.561 1.00 63.44 C ATOM 774 CG LEU A 48 2.531 13.994 1.015 1.00 42.42 C ATOM 775 CD1 LEU A 48 2.745 13.982 -0.492 1.00 24.51 C ATOM 776 CD2 LEU A 48 1.254 14.745 1.366 1.00 42.15 C ATOM 0 H LEU A 48 3.405 10.569 3.309 1.00 32.43 H new ATOM 0 HA LEU A 48 2.626 13.413 3.532 1.00 21.12 H new ATOM 0 HB2 LEU A 48 3.344 12.023 1.176 1.00 63.44 H new ATOM 0 HB3 LEU A 48 1.592 12.079 1.164 1.00 63.44 H new ATOM 0 HG LEU A 48 3.372 14.510 1.478 1.00 42.42 H new ATOM 0 HD11 LEU A 48 2.777 15.006 -0.863 1.00 24.51 H new ATOM 0 HD12 LEU A 48 3.686 13.483 -0.722 1.00 24.51 H new ATOM 0 HD13 LEU A 48 1.925 13.448 -0.972 1.00 24.51 H new ATOM 0 HD21 LEU A 48 1.307 15.759 0.969 1.00 42.15 H new ATOM 0 HD22 LEU A 48 0.398 14.229 0.931 1.00 42.15 H new ATOM 0 HD23 LEU A 48 1.142 14.785 2.449 1.00 42.15 H new ATOM 788 N ASP A 49 0.172 12.813 3.770 1.00 63.20 N ATOM 789 CA ASP A 49 -1.165 12.439 4.213 1.00 52.13 C ATOM 790 C ASP A 49 -2.056 12.100 3.022 1.00 41.20 C ATOM 791 O ASP A 49 -2.332 12.954 2.178 1.00 13.40 O ATOM 792 CB ASP A 49 -1.792 13.571 5.029 1.00 63.13 C ATOM 793 CG ASP A 49 -0.777 14.292 5.893 1.00 62.25 C ATOM 794 OD1 ASP A 49 0.032 15.065 5.339 1.00 53.41 O ATOM 795 OD2 ASP A 49 -0.792 14.083 7.124 1.00 43.30 O ATOM 0 H ASP A 49 0.311 13.816 3.651 1.00 63.20 H new ATOM 0 HA ASP A 49 -1.078 11.554 4.843 1.00 52.13 H new ATOM 0 HB2 ASP A 49 -2.262 14.285 4.353 1.00 63.13 H new ATOM 0 HB3 ASP A 49 -2.581 13.165 5.662 1.00 63.13 H new ATOM 801 N ILE A 50 -2.502 10.850 2.957 1.00 25.22 N ATOM 802 CA ILE A 50 -3.360 10.399 1.870 1.00 10.40 C ATOM 803 C ILE A 50 -4.800 10.225 2.344 1.00 53.25 C ATOM 804 O ILE A 50 -5.051 9.952 3.516 1.00 1.22 O ATOM 805 CB ILE A 50 -2.862 9.071 1.274 1.00 74.53 C ATOM 806 CG1 ILE A 50 -2.555 8.068 2.389 1.00 32.12 C ATOM 807 CG2 ILE A 50 -1.632 9.304 0.410 1.00 74.51 C ATOM 808 CD1 ILE A 50 -2.708 6.625 1.964 1.00 22.01 C ATOM 0 H ILE A 50 -2.282 10.131 3.646 1.00 25.22 H new ATOM 0 HA ILE A 50 -3.324 11.168 1.099 1.00 10.40 H new ATOM 0 HB ILE A 50 -3.649 8.656 0.645 1.00 74.53 H new ATOM 0 HG12 ILE A 50 -1.536 8.229 2.740 1.00 32.12 H new ATOM 0 HG13 ILE A 50 -3.217 8.262 3.233 1.00 32.12 H new ATOM 0 HG21 ILE A 50 -1.293 8.354 -0.004 1.00 74.51 H new ATOM 0 HG22 ILE A 50 -1.882 9.985 -0.403 1.00 74.51 H new ATOM 0 HG23 ILE A 50 -0.838 9.740 1.017 1.00 74.51 H new ATOM 0 HD11 ILE A 50 -2.475 5.971 2.805 1.00 22.01 H new ATOM 0 HD12 ILE A 50 -3.734 6.448 1.641 1.00 22.01 H new ATOM 0 HD13 ILE A 50 -2.026 6.414 1.140 1.00 22.01 H new ATOM 820 N LYS A 51 -5.743 10.382 1.420 1.00 42.33 N ATOM 821 CA LYS A 51 -7.158 10.238 1.740 1.00 12.14 C ATOM 822 C LYS A 51 -7.742 8.993 1.078 1.00 22.33 C ATOM 823 O LYS A 51 -7.144 8.424 0.165 1.00 21.33 O ATOM 824 CB LYS A 51 -7.932 11.479 1.288 1.00 11.51 C ATOM 825 CG LYS A 51 -8.562 12.255 2.432 1.00 62.14 C ATOM 826 CD LYS A 51 -9.411 13.407 1.924 1.00 62.42 C ATOM 827 CE LYS A 51 -10.895 13.129 2.112 1.00 12.04 C ATOM 828 NZ LYS A 51 -11.705 13.656 0.977 1.00 2.25 N ATOM 0 H LYS A 51 -5.552 10.609 0.444 1.00 42.33 H new ATOM 0 HA LYS A 51 -7.252 10.131 2.821 1.00 12.14 H new ATOM 0 HB2 LYS A 51 -7.258 12.138 0.741 1.00 11.51 H new ATOM 0 HB3 LYS A 51 -8.714 11.175 0.592 1.00 11.51 H new ATOM 0 HG2 LYS A 51 -9.178 11.585 3.032 1.00 62.14 H new ATOM 0 HG3 LYS A 51 -7.780 12.640 3.086 1.00 62.14 H new ATOM 0 HD2 LYS A 51 -9.141 14.321 2.453 1.00 62.42 H new ATOM 0 HD3 LYS A 51 -9.202 13.577 0.868 1.00 62.42 H new ATOM 0 HE2 LYS A 51 -11.055 12.055 2.205 1.00 12.04 H new ATOM 0 HE3 LYS A 51 -11.235 13.583 3.043 1.00 12.04 H new ATOM 0 HZ1 LYS A 51 -12.710 13.447 1.142 1.00 2.25 H new ATOM 0 HZ2 LYS A 51 -11.572 14.685 0.904 1.00 2.25 H new ATOM 0 HZ3 LYS A 51 -11.398 13.204 0.092 1.00 2.25 H new ATOM 842 N LYS A 52 -8.914 8.577 1.546 1.00 65.42 N ATOM 843 CA LYS A 52 -9.580 7.400 1.000 1.00 75.24 C ATOM 844 C LYS A 52 -9.965 7.622 -0.459 1.00 13.10 C ATOM 845 O LYS A 52 -10.554 8.646 -0.806 1.00 50.01 O ATOM 846 CB LYS A 52 -10.826 7.066 1.824 1.00 55.44 C ATOM 847 CG LYS A 52 -11.806 8.221 1.939 1.00 13.23 C ATOM 848 CD LYS A 52 -12.953 7.887 2.878 1.00 24.14 C ATOM 849 CE LYS A 52 -13.868 6.827 2.285 1.00 32.12 C ATOM 850 NZ LYS A 52 -13.998 5.643 3.178 1.00 52.11 N ATOM 0 H LYS A 52 -9.422 9.037 2.302 1.00 65.42 H new ATOM 0 HA LYS A 52 -8.884 6.562 1.050 1.00 75.24 H new ATOM 0 HB2 LYS A 52 -11.333 6.214 1.371 1.00 55.44 H new ATOM 0 HB3 LYS A 52 -10.519 6.760 2.824 1.00 55.44 H new ATOM 0 HG2 LYS A 52 -11.285 9.107 2.301 1.00 13.23 H new ATOM 0 HG3 LYS A 52 -12.201 8.464 0.953 1.00 13.23 H new ATOM 0 HD2 LYS A 52 -12.555 7.534 3.829 1.00 24.14 H new ATOM 0 HD3 LYS A 52 -13.528 8.789 3.088 1.00 24.14 H new ATOM 0 HE2 LYS A 52 -14.854 7.257 2.106 1.00 32.12 H new ATOM 0 HE3 LYS A 52 -13.478 6.511 1.317 1.00 32.12 H new ATOM 0 HZ1 LYS A 52 -14.630 4.944 2.738 1.00 52.11 H new ATOM 0 HZ2 LYS A 52 -13.061 5.217 3.328 1.00 52.11 H new ATOM 0 HZ3 LYS A 52 -14.394 5.940 4.093 1.00 52.11 H new ATOM 864 N ASN A 53 -9.633 6.655 -1.308 1.00 3.11 N ATOM 865 CA ASN A 53 -9.945 6.746 -2.730 1.00 30.32 C ATOM 866 C ASN A 53 -9.203 7.911 -3.377 1.00 3.45 C ATOM 867 O ASN A 53 -9.542 8.340 -4.479 1.00 13.41 O ATOM 868 CB ASN A 53 -11.453 6.912 -2.931 1.00 51.31 C ATOM 869 CG ASN A 53 -11.868 6.714 -4.376 1.00 32.11 C ATOM 870 OD1 ASN A 53 -11.402 5.792 -5.047 1.00 14.21 O ATOM 871 ND2 ASN A 53 -12.750 7.580 -4.863 1.00 63.11 N ATOM 0 H ASN A 53 -9.148 5.800 -1.036 1.00 3.11 H new ATOM 0 HA ASN A 53 -9.620 5.822 -3.208 1.00 30.32 H new ATOM 0 HB2 ASN A 53 -11.982 6.196 -2.302 1.00 51.31 H new ATOM 0 HB3 ASN A 53 -11.753 7.907 -2.602 1.00 51.31 H new ATOM 0 HD21 ASN A 53 -13.067 7.496 -5.829 1.00 63.11 H new ATOM 0 HD22 ASN A 53 -13.110 8.329 -4.271 1.00 63.11 H new ATOM 878 N GLU A 54 -8.187 8.416 -2.684 1.00 54.34 N ATOM 879 CA GLU A 54 -7.397 9.531 -3.193 1.00 60.21 C ATOM 880 C GLU A 54 -6.403 9.057 -4.250 1.00 23.24 C ATOM 881 O GLU A 54 -5.729 8.042 -4.072 1.00 25.42 O ATOM 882 CB GLU A 54 -6.651 10.220 -2.048 1.00 41.32 C ATOM 883 CG GLU A 54 -6.040 11.556 -2.437 1.00 24.44 C ATOM 884 CD GLU A 54 -7.032 12.699 -2.348 1.00 31.24 C ATOM 885 OE1 GLU A 54 -8.215 12.437 -2.044 1.00 31.35 O ATOM 886 OE2 GLU A 54 -6.626 13.856 -2.582 1.00 3.45 O ATOM 0 H GLU A 54 -7.892 8.071 -1.770 1.00 54.34 H new ATOM 0 HA GLU A 54 -8.079 10.245 -3.655 1.00 60.21 H new ATOM 0 HB2 GLU A 54 -7.340 10.373 -1.217 1.00 41.32 H new ATOM 0 HB3 GLU A 54 -5.861 9.559 -1.690 1.00 41.32 H new ATOM 0 HG2 GLU A 54 -5.190 11.766 -1.787 1.00 24.44 H new ATOM 0 HG3 GLU A 54 -5.655 11.493 -3.455 1.00 24.44 H new ATOM 893 N ARG A 55 -6.319 9.798 -5.350 1.00 13.24 N ATOM 894 CA ARG A 55 -5.410 9.454 -6.435 1.00 42.43 C ATOM 895 C ARG A 55 -4.268 10.460 -6.530 1.00 23.24 C ATOM 896 O ARG A 55 -4.433 11.636 -6.199 1.00 73.43 O ATOM 897 CB ARG A 55 -6.167 9.398 -7.764 1.00 4.30 C ATOM 898 CG ARG A 55 -7.191 10.510 -7.929 1.00 72.20 C ATOM 899 CD ARG A 55 -7.669 10.619 -9.368 1.00 2.41 C ATOM 900 NE ARG A 55 -7.355 11.921 -9.951 1.00 40.43 N ATOM 901 CZ ARG A 55 -7.963 13.049 -9.601 1.00 63.14 C ATOM 902 NH1 ARG A 55 -8.911 13.034 -8.675 1.00 71.40 N ATOM 903 NH2 ARG A 55 -7.623 14.195 -10.177 1.00 71.32 N ATOM 0 H ARG A 55 -6.870 10.641 -5.513 1.00 13.24 H new ATOM 0 HA ARG A 55 -4.987 8.472 -6.223 1.00 42.43 H new ATOM 0 HB2 ARG A 55 -5.450 9.451 -8.583 1.00 4.30 H new ATOM 0 HB3 ARG A 55 -6.672 8.435 -7.844 1.00 4.30 H new ATOM 0 HG2 ARG A 55 -8.042 10.322 -7.275 1.00 72.20 H new ATOM 0 HG3 ARG A 55 -6.753 11.458 -7.617 1.00 72.20 H new ATOM 0 HD2 ARG A 55 -7.206 9.833 -9.965 1.00 2.41 H new ATOM 0 HD3 ARG A 55 -8.746 10.455 -9.406 1.00 2.41 H new ATOM 0 HE ARG A 55 -6.629 11.967 -10.666 1.00 40.43 H new ATOM 0 HH11 ARG A 55 -9.175 12.155 -8.230 1.00 71.40 H new ATOM 0 HH12 ARG A 55 -9.377 13.901 -8.408 1.00 71.40 H new ATOM 0 HH21 ARG A 55 -6.894 14.211 -10.890 1.00 71.32 H new ATOM 0 HH22 ARG A 55 -8.091 15.060 -9.907 1.00 71.32 H new ATOM 917 N LEU A 56 -3.110 9.993 -6.982 1.00 34.20 N ATOM 918 CA LEU A 56 -1.939 10.853 -7.119 1.00 52.13 C ATOM 919 C LEU A 56 -1.062 10.396 -8.281 1.00 4.13 C ATOM 920 O LEU A 56 -1.324 9.367 -8.901 1.00 52.13 O ATOM 921 CB LEU A 56 -1.128 10.853 -5.822 1.00 24.22 C ATOM 922 CG LEU A 56 -1.525 11.903 -4.783 1.00 52.32 C ATOM 923 CD1 LEU A 56 -2.643 11.378 -3.894 1.00 40.13 C ATOM 924 CD2 LEU A 56 -0.321 12.306 -3.945 1.00 42.41 C ATOM 0 H LEU A 56 -2.956 9.024 -7.260 1.00 34.20 H new ATOM 0 HA LEU A 56 -2.284 11.866 -7.324 1.00 52.13 H new ATOM 0 HB2 LEU A 56 -1.212 9.867 -5.364 1.00 24.22 H new ATOM 0 HB3 LEU A 56 -0.078 10.999 -6.074 1.00 24.22 H new ATOM 0 HG LEU A 56 -1.889 12.786 -5.308 1.00 52.32 H new ATOM 0 HD11 LEU A 56 -2.912 12.138 -3.161 1.00 40.13 H new ATOM 0 HD12 LEU A 56 -3.513 11.140 -4.506 1.00 40.13 H new ATOM 0 HD13 LEU A 56 -2.306 10.479 -3.377 1.00 40.13 H new ATOM 0 HD21 LEU A 56 -0.622 13.054 -3.211 1.00 42.41 H new ATOM 0 HD22 LEU A 56 0.073 11.430 -3.430 1.00 42.41 H new ATOM 0 HD23 LEU A 56 0.450 12.723 -4.593 1.00 42.41 H new ATOM 936 N TRP A 57 -0.020 11.169 -8.567 1.00 2.25 N ATOM 937 CA TRP A 57 0.898 10.843 -9.652 1.00 63.44 C ATOM 938 C TRP A 57 2.036 9.961 -9.155 1.00 43.04 C ATOM 939 O TRP A 57 2.866 10.392 -8.353 1.00 42.31 O ATOM 940 CB TRP A 57 1.461 12.121 -10.274 1.00 1.23 C ATOM 941 CG TRP A 57 0.525 12.772 -11.247 1.00 31.21 C ATOM 942 CD1 TRP A 57 0.690 12.874 -12.599 1.00 34.04 C ATOM 943 CD2 TRP A 57 -0.719 13.411 -10.942 1.00 14.33 C ATOM 944 NE1 TRP A 57 -0.378 13.539 -13.153 1.00 55.04 N ATOM 945 CE2 TRP A 57 -1.257 13.877 -12.158 1.00 72.30 C ATOM 946 CE3 TRP A 57 -1.434 13.634 -9.762 1.00 71.33 C ATOM 947 CZ2 TRP A 57 -2.473 14.553 -12.224 1.00 1.33 C ATOM 948 CZ3 TRP A 57 -2.640 14.304 -9.829 1.00 50.32 C ATOM 949 CH2 TRP A 57 -3.150 14.757 -11.053 1.00 60.23 C ATOM 0 H TRP A 57 0.210 12.025 -8.063 1.00 2.25 H new ATOM 0 HA TRP A 57 0.342 10.293 -10.411 1.00 63.44 H new ATOM 0 HB2 TRP A 57 1.698 12.829 -9.480 1.00 1.23 H new ATOM 0 HB3 TRP A 57 2.397 11.887 -10.782 1.00 1.23 H new ATOM 0 HD1 TRP A 57 1.535 12.489 -13.151 1.00 34.04 H new ATOM 0 HE1 TRP A 57 -0.497 13.747 -14.144 1.00 55.04 H new ATOM 0 HE3 TRP A 57 -1.050 13.288 -8.814 1.00 71.33 H new ATOM 0 HZ2 TRP A 57 -2.867 14.904 -13.166 1.00 1.33 H new ATOM 0 HZ3 TRP A 57 -3.199 14.482 -8.922 1.00 50.32 H new ATOM 0 HH2 TRP A 57 -4.096 15.277 -11.072 1.00 60.23 H new ATOM 960 N LEU A 58 2.074 8.723 -9.637 1.00 71.31 N ATOM 961 CA LEU A 58 3.113 7.778 -9.242 1.00 22.13 C ATOM 962 C LEU A 58 4.479 8.230 -9.745 1.00 50.13 C ATOM 963 O LEU A 58 4.686 8.394 -10.949 1.00 60.12 O ATOM 964 CB LEU A 58 2.793 6.382 -9.779 1.00 0.21 C ATOM 965 CG LEU A 58 2.619 5.283 -8.732 1.00 65.45 C ATOM 966 CD1 LEU A 58 2.487 3.924 -9.403 1.00 34.45 C ATOM 967 CD2 LEU A 58 3.787 5.285 -7.757 1.00 23.32 C ATOM 0 H LEU A 58 1.397 8.350 -10.302 1.00 71.31 H new ATOM 0 HA LEU A 58 3.142 7.742 -8.153 1.00 22.13 H new ATOM 0 HB2 LEU A 58 1.878 6.442 -10.368 1.00 0.21 H new ATOM 0 HB3 LEU A 58 3.591 6.085 -10.459 1.00 0.21 H new ATOM 0 HG LEU A 58 1.704 5.482 -8.173 1.00 65.45 H new ATOM 0 HD11 LEU A 58 2.364 3.153 -8.642 1.00 34.45 H new ATOM 0 HD12 LEU A 58 1.618 3.926 -10.061 1.00 34.45 H new ATOM 0 HD13 LEU A 58 3.384 3.718 -9.987 1.00 34.45 H new ATOM 0 HD21 LEU A 58 3.646 4.496 -7.019 1.00 23.32 H new ATOM 0 HD22 LEU A 58 4.715 5.111 -8.301 1.00 23.32 H new ATOM 0 HD23 LEU A 58 3.838 6.250 -7.252 1.00 23.32 H new ATOM 979 N LEU A 59 5.411 8.427 -8.819 1.00 73.54 N ATOM 980 CA LEU A 59 6.760 8.857 -9.169 1.00 34.13 C ATOM 981 C LEU A 59 7.707 7.665 -9.257 1.00 33.53 C ATOM 982 O LEU A 59 8.114 7.262 -10.347 1.00 64.40 O ATOM 983 CB LEU A 59 7.280 9.860 -8.139 1.00 12.14 C ATOM 984 CG LEU A 59 6.464 11.145 -7.981 1.00 33.45 C ATOM 985 CD1 LEU A 59 7.176 12.118 -7.054 1.00 60.41 C ATOM 986 CD2 LEU A 59 6.210 11.785 -9.336 1.00 44.14 C ATOM 0 H LEU A 59 5.257 8.296 -7.819 1.00 73.54 H new ATOM 0 HA LEU A 59 6.719 9.337 -10.147 1.00 34.13 H new ATOM 0 HB2 LEU A 59 7.329 9.363 -7.170 1.00 12.14 H new ATOM 0 HB3 LEU A 59 8.300 10.132 -8.409 1.00 12.14 H new ATOM 0 HG LEU A 59 5.502 10.890 -7.537 1.00 33.45 H new ATOM 0 HD11 LEU A 59 6.581 13.026 -6.953 1.00 60.41 H new ATOM 0 HD12 LEU A 59 7.305 11.658 -6.074 1.00 60.41 H new ATOM 0 HD13 LEU A 59 8.152 12.368 -7.469 1.00 60.41 H new ATOM 0 HD21 LEU A 59 5.628 12.697 -9.204 1.00 44.14 H new ATOM 0 HD22 LEU A 59 7.162 12.027 -9.808 1.00 44.14 H new ATOM 0 HD23 LEU A 59 5.657 11.091 -9.968 1.00 44.14 H new ATOM 998 N ASP A 60 8.049 7.102 -8.104 1.00 22.13 N ATOM 999 CA ASP A 60 8.946 5.953 -8.050 1.00 24.54 C ATOM 1000 C ASP A 60 8.427 4.904 -7.072 1.00 73.44 C ATOM 1001 O ASP A 60 8.380 5.135 -5.864 1.00 44.41 O ATOM 1002 CB ASP A 60 10.352 6.394 -7.644 1.00 61.24 C ATOM 1003 CG ASP A 60 11.420 5.421 -8.103 1.00 71.12 C ATOM 1004 OD1 ASP A 60 11.267 4.207 -7.845 1.00 40.32 O ATOM 1005 OD2 ASP A 60 12.407 5.871 -8.719 1.00 63.13 O ATOM 0 H ASP A 60 7.719 7.422 -7.194 1.00 22.13 H new ATOM 0 HA ASP A 60 8.986 5.509 -9.045 1.00 24.54 H new ATOM 0 HB2 ASP A 60 10.556 7.378 -8.065 1.00 61.24 H new ATOM 0 HB3 ASP A 60 10.399 6.495 -6.560 1.00 61.24 H new ATOM 1011 N ASP A 61 8.034 3.751 -7.602 1.00 52.25 N ATOM 1012 CA ASP A 61 7.518 2.665 -6.776 1.00 42.12 C ATOM 1013 C ASP A 61 8.366 1.407 -6.939 1.00 42.04 C ATOM 1014 O ASP A 61 8.011 0.501 -7.692 1.00 55.52 O ATOM 1015 CB ASP A 61 6.062 2.365 -7.141 1.00 44.42 C ATOM 1016 CG ASP A 61 5.793 2.529 -8.624 1.00 0.43 C ATOM 1017 OD1 ASP A 61 5.761 3.686 -9.097 1.00 54.31 O ATOM 1018 OD2 ASP A 61 5.616 1.503 -9.311 1.00 43.52 O ATOM 0 H ASP A 61 8.063 3.544 -8.600 1.00 52.25 H new ATOM 0 HA ASP A 61 7.566 2.981 -5.734 1.00 42.12 H new ATOM 0 HB2 ASP A 61 5.817 1.346 -6.841 1.00 44.42 H new ATOM 0 HB3 ASP A 61 5.405 3.029 -6.580 1.00 44.42 H new ATOM 1024 N SER A 62 9.487 1.360 -6.228 1.00 61.23 N ATOM 1025 CA SER A 62 10.389 0.216 -6.297 1.00 33.32 C ATOM 1026 C SER A 62 10.367 -0.572 -4.991 1.00 31.42 C ATOM 1027 O SER A 62 10.211 -1.793 -4.990 1.00 15.31 O ATOM 1028 CB SER A 62 11.814 0.681 -6.603 1.00 73.44 C ATOM 1029 OG SER A 62 11.970 0.974 -7.981 1.00 62.51 O ATOM 0 H SER A 62 9.793 2.101 -5.597 1.00 61.23 H new ATOM 0 HA SER A 62 10.048 -0.437 -7.100 1.00 33.32 H new ATOM 0 HB2 SER A 62 12.046 1.566 -6.011 1.00 73.44 H new ATOM 0 HB3 SER A 62 12.523 -0.093 -6.310 1.00 73.44 H new ATOM 0 HG SER A 62 11.792 1.925 -8.135 1.00 62.51 H new ATOM 1035 N LYS A 63 10.527 0.135 -3.878 1.00 0.54 N ATOM 1036 CA LYS A 63 10.525 -0.494 -2.562 1.00 63.03 C ATOM 1037 C LYS A 63 9.109 -0.580 -2.002 1.00 70.24 C ATOM 1038 O LYS A 63 8.157 -0.103 -2.619 1.00 74.31 O ATOM 1039 CB LYS A 63 11.420 0.289 -1.599 1.00 20.01 C ATOM 1040 CG LYS A 63 12.805 -0.312 -1.431 1.00 4.43 C ATOM 1041 CD LYS A 63 13.636 0.473 -0.430 1.00 33.35 C ATOM 1042 CE LYS A 63 15.092 0.559 -0.859 1.00 11.04 C ATOM 1043 NZ LYS A 63 15.272 1.465 -2.026 1.00 53.41 N ATOM 0 H LYS A 63 10.660 1.146 -3.861 1.00 0.54 H new ATOM 0 HA LYS A 63 10.916 -1.506 -2.670 1.00 63.03 H new ATOM 0 HB2 LYS A 63 11.519 1.313 -1.959 1.00 20.01 H new ATOM 0 HB3 LYS A 63 10.934 0.339 -0.624 1.00 20.01 H new ATOM 0 HG2 LYS A 63 12.716 -1.346 -1.099 1.00 4.43 H new ATOM 0 HG3 LYS A 63 13.315 -0.329 -2.394 1.00 4.43 H new ATOM 0 HD2 LYS A 63 13.227 1.478 -0.325 1.00 33.35 H new ATOM 0 HD3 LYS A 63 13.572 -0.002 0.549 1.00 33.35 H new ATOM 0 HE2 LYS A 63 15.696 0.916 -0.025 1.00 11.04 H new ATOM 0 HE3 LYS A 63 15.456 -0.437 -1.112 1.00 11.04 H new ATOM 0 HZ1 LYS A 63 16.275 1.726 -2.111 1.00 53.41 H new ATOM 0 HZ2 LYS A 63 14.966 0.979 -2.893 1.00 53.41 H new ATOM 0 HZ3 LYS A 63 14.701 2.324 -1.890 1.00 53.41 H new ATOM 1057 N THR A 64 8.978 -1.190 -0.828 1.00 50.14 N ATOM 1058 CA THR A 64 7.678 -1.338 -0.185 1.00 43.05 C ATOM 1059 C THR A 64 6.912 -0.021 -0.185 1.00 4.43 C ATOM 1060 O THR A 64 5.690 -0.004 -0.330 1.00 11.34 O ATOM 1061 CB THR A 64 7.824 -1.834 1.266 1.00 63.51 C ATOM 1062 OG1 THR A 64 6.618 -1.581 1.994 1.00 10.24 O ATOM 1063 CG2 THR A 64 8.994 -1.151 1.957 1.00 30.04 C ATOM 0 H THR A 64 9.756 -1.589 -0.303 1.00 50.14 H new ATOM 0 HA THR A 64 7.122 -2.078 -0.761 1.00 43.05 H new ATOM 0 HB THR A 64 8.014 -2.907 1.242 1.00 63.51 H new ATOM 0 HG1 THR A 64 5.872 -2.051 1.565 1.00 10.24 H new ATOM 0 HG21 THR A 64 9.077 -1.518 2.980 1.00 30.04 H new ATOM 0 HG22 THR A 64 9.915 -1.372 1.417 1.00 30.04 H new ATOM 0 HG23 THR A 64 8.830 -0.073 1.970 1.00 30.04 H new ATOM 1071 N TRP A 65 7.636 1.080 -0.022 1.00 44.22 N ATOM 1072 CA TRP A 65 7.023 2.402 -0.004 1.00 53.42 C ATOM 1073 C TRP A 65 7.101 3.057 -1.378 1.00 0.43 C ATOM 1074 O TRP A 65 8.129 2.988 -2.053 1.00 72.21 O ATOM 1075 CB TRP A 65 7.708 3.290 1.036 1.00 22.45 C ATOM 1076 CG TRP A 65 7.220 3.053 2.434 1.00 55.45 C ATOM 1077 CD1 TRP A 65 7.378 1.916 3.174 1.00 32.14 C ATOM 1078 CD2 TRP A 65 6.493 3.972 3.255 1.00 14.34 C ATOM 1079 NE1 TRP A 65 6.793 2.074 4.407 1.00 72.12 N ATOM 1080 CE2 TRP A 65 6.244 3.326 4.483 1.00 53.51 C ATOM 1081 CE3 TRP A 65 6.029 5.278 3.075 1.00 1.43 C ATOM 1082 CZ2 TRP A 65 5.552 3.944 5.521 1.00 20.41 C ATOM 1083 CZ3 TRP A 65 5.342 5.889 4.107 1.00 43.12 C ATOM 1084 CH2 TRP A 65 5.109 5.223 5.317 1.00 23.55 C ATOM 0 H TRP A 65 8.649 1.083 0.100 1.00 44.22 H new ATOM 0 HA TRP A 65 5.973 2.284 0.263 1.00 53.42 H new ATOM 0 HB2 TRP A 65 8.783 3.116 1.000 1.00 22.45 H new ATOM 0 HB3 TRP A 65 7.545 4.336 0.774 1.00 22.45 H new ATOM 0 HD1 TRP A 65 7.888 1.024 2.839 1.00 32.14 H new ATOM 0 HE1 TRP A 65 6.771 1.372 5.147 1.00 72.12 H new ATOM 0 HE3 TRP A 65 6.204 5.800 2.146 1.00 1.43 H new ATOM 0 HZ2 TRP A 65 5.371 3.432 6.455 1.00 20.41 H new ATOM 0 HZ3 TRP A 65 4.978 6.898 3.978 1.00 43.12 H new ATOM 0 HH2 TRP A 65 4.569 5.728 6.104 1.00 23.55 H new ATOM 1095 N TRP A 66 6.010 3.693 -1.789 1.00 72.13 N ATOM 1096 CA TRP A 66 5.954 4.360 -3.085 1.00 44.43 C ATOM 1097 C TRP A 66 5.862 5.872 -2.914 1.00 50.50 C ATOM 1098 O TRP A 66 5.339 6.362 -1.913 1.00 25.12 O ATOM 1099 CB TRP A 66 4.761 3.852 -3.894 1.00 71.25 C ATOM 1100 CG TRP A 66 4.788 2.371 -4.126 1.00 42.01 C ATOM 1101 CD1 TRP A 66 5.838 1.527 -3.907 1.00 43.14 C ATOM 1102 CD2 TRP A 66 3.717 1.562 -4.622 1.00 14.12 C ATOM 1103 NE1 TRP A 66 5.484 0.240 -4.237 1.00 63.15 N ATOM 1104 CE2 TRP A 66 4.188 0.235 -4.679 1.00 32.12 C ATOM 1105 CE3 TRP A 66 2.405 1.827 -5.024 1.00 10.22 C ATOM 1106 CZ2 TRP A 66 3.393 -0.819 -5.121 1.00 32.33 C ATOM 1107 CZ3 TRP A 66 1.617 0.781 -5.464 1.00 60.45 C ATOM 1108 CH2 TRP A 66 2.113 -0.530 -5.509 1.00 21.44 C ATOM 0 H TRP A 66 5.151 3.761 -1.243 1.00 72.13 H new ATOM 0 HA TRP A 66 6.872 4.129 -3.624 1.00 44.43 H new ATOM 0 HB2 TRP A 66 3.840 4.114 -3.373 1.00 71.25 H new ATOM 0 HB3 TRP A 66 4.740 4.363 -4.857 1.00 71.25 H new ATOM 0 HD1 TRP A 66 6.805 1.826 -3.530 1.00 43.14 H new ATOM 0 HE1 TRP A 66 6.089 -0.578 -4.164 1.00 63.15 H new ATOM 0 HE3 TRP A 66 2.014 2.833 -4.991 1.00 10.22 H new ATOM 0 HZ2 TRP A 66 3.773 -1.829 -5.156 1.00 32.33 H new ATOM 0 HZ3 TRP A 66 0.602 0.976 -5.778 1.00 60.45 H new ATOM 0 HH2 TRP A 66 1.472 -1.327 -5.857 1.00 21.44 H new ATOM 1119 N ARG A 67 6.371 6.607 -3.899 1.00 20.30 N ATOM 1120 CA ARG A 67 6.345 8.064 -3.856 1.00 21.35 C ATOM 1121 C ARG A 67 5.440 8.625 -4.949 1.00 50.44 C ATOM 1122 O ARG A 67 5.592 8.293 -6.125 1.00 72.21 O ATOM 1123 CB ARG A 67 7.760 8.624 -4.012 1.00 13.23 C ATOM 1124 CG ARG A 67 7.797 10.126 -4.250 1.00 62.22 C ATOM 1125 CD ARG A 67 9.016 10.763 -3.600 1.00 73.41 C ATOM 1126 NE ARG A 67 8.646 11.823 -2.667 1.00 5.15 N ATOM 1127 CZ ARG A 67 9.530 12.581 -2.028 1.00 3.33 C ATOM 1128 NH1 ARG A 67 10.830 12.396 -2.221 1.00 14.41 N ATOM 1129 NH2 ARG A 67 9.117 13.526 -1.193 1.00 11.34 N ATOM 0 H ARG A 67 6.806 6.217 -4.735 1.00 20.30 H new ATOM 0 HA ARG A 67 5.946 8.367 -2.888 1.00 21.35 H new ATOM 0 HB2 ARG A 67 8.334 8.392 -3.115 1.00 13.23 H new ATOM 0 HB3 ARG A 67 8.252 8.120 -4.844 1.00 13.23 H new ATOM 0 HG2 ARG A 67 7.809 10.326 -5.322 1.00 62.22 H new ATOM 0 HG3 ARG A 67 6.891 10.581 -3.851 1.00 62.22 H new ATOM 0 HD2 ARG A 67 9.587 9.999 -3.073 1.00 73.41 H new ATOM 0 HD3 ARG A 67 9.667 11.171 -4.373 1.00 73.41 H new ATOM 0 HE ARG A 67 7.654 11.991 -2.496 1.00 5.15 H new ATOM 0 HH11 ARG A 67 11.152 11.670 -2.861 1.00 14.41 H new ATOM 0 HH12 ARG A 67 11.507 12.979 -1.729 1.00 14.41 H new ATOM 0 HH21 ARG A 67 8.119 13.671 -1.041 1.00 11.34 H new ATOM 0 HH22 ARG A 67 9.798 14.107 -0.703 1.00 11.34 H new ATOM 1143 N VAL A 68 4.499 9.475 -4.554 1.00 22.53 N ATOM 1144 CA VAL A 68 3.571 10.083 -5.499 1.00 55.44 C ATOM 1145 C VAL A 68 3.444 11.583 -5.260 1.00 52.52 C ATOM 1146 O VAL A 68 3.983 12.114 -4.289 1.00 73.02 O ATOM 1147 CB VAL A 68 2.174 9.439 -5.406 1.00 72.33 C ATOM 1148 CG1 VAL A 68 2.244 7.958 -5.747 1.00 32.11 C ATOM 1149 CG2 VAL A 68 1.583 9.648 -4.020 1.00 21.53 C ATOM 0 H VAL A 68 4.359 9.759 -3.584 1.00 22.53 H new ATOM 0 HA VAL A 68 3.978 9.911 -6.496 1.00 55.44 H new ATOM 0 HB VAL A 68 1.521 9.923 -6.132 1.00 72.33 H new ATOM 0 HG11 VAL A 68 1.248 7.521 -5.676 1.00 32.11 H new ATOM 0 HG12 VAL A 68 2.622 7.836 -6.762 1.00 32.11 H new ATOM 0 HG13 VAL A 68 2.912 7.455 -5.048 1.00 32.11 H new ATOM 0 HG21 VAL A 68 0.596 9.187 -3.972 1.00 21.53 H new ATOM 0 HG22 VAL A 68 2.234 9.191 -3.274 1.00 21.53 H new ATOM 0 HG23 VAL A 68 1.495 10.716 -3.819 1.00 21.53 H new ATOM 1159 N ARG A 69 2.727 12.260 -6.151 1.00 13.22 N ATOM 1160 CA ARG A 69 2.530 13.701 -6.037 1.00 61.34 C ATOM 1161 C ARG A 69 1.055 14.060 -6.179 1.00 40.23 C ATOM 1162 O ARG A 69 0.338 13.473 -6.990 1.00 10.43 O ATOM 1163 CB ARG A 69 3.351 14.434 -7.099 1.00 50.31 C ATOM 1164 CG ARG A 69 3.268 15.948 -6.994 1.00 51.41 C ATOM 1165 CD ARG A 69 3.579 16.618 -8.324 1.00 72.20 C ATOM 1166 NE ARG A 69 2.367 16.914 -9.084 1.00 61.34 N ATOM 1167 CZ ARG A 69 2.360 17.156 -10.390 1.00 3.25 C ATOM 1168 NH1 ARG A 69 3.493 17.137 -11.077 1.00 61.05 N ATOM 1169 NH2 ARG A 69 1.217 17.418 -11.011 1.00 70.20 N ATOM 0 H ARG A 69 2.273 11.835 -6.959 1.00 13.22 H new ATOM 0 HA ARG A 69 2.867 14.013 -5.049 1.00 61.34 H new ATOM 0 HB2 ARG A 69 4.394 14.129 -7.015 1.00 50.31 H new ATOM 0 HB3 ARG A 69 3.008 14.127 -8.087 1.00 50.31 H new ATOM 0 HG2 ARG A 69 2.270 16.237 -6.665 1.00 51.41 H new ATOM 0 HG3 ARG A 69 3.968 16.300 -6.236 1.00 51.41 H new ATOM 0 HD2 ARG A 69 4.129 17.542 -8.145 1.00 72.20 H new ATOM 0 HD3 ARG A 69 4.227 15.970 -8.914 1.00 72.20 H new ATOM 0 HE ARG A 69 1.478 16.936 -8.585 1.00 61.34 H new ATOM 0 HH11 ARG A 69 4.374 16.936 -10.603 1.00 61.05 H new ATOM 0 HH12 ARG A 69 3.485 17.323 -12.080 1.00 61.05 H new ATOM 0 HH21 ARG A 69 0.343 17.434 -10.485 1.00 70.20 H new ATOM 0 HH22 ARG A 69 1.212 17.604 -12.014 1.00 70.20 H new ATOM 1183 N ASN A 70 0.607 15.029 -5.388 1.00 63.22 N ATOM 1184 CA ASN A 70 -0.783 15.466 -5.425 1.00 32.24 C ATOM 1185 C ASN A 70 -0.958 16.644 -6.379 1.00 31.14 C ATOM 1186 O ASN A 70 -0.013 17.057 -7.050 1.00 30.31 O ATOM 1187 CB ASN A 70 -1.256 15.856 -4.024 1.00 24.22 C ATOM 1188 CG ASN A 70 -0.214 16.657 -3.264 1.00 51.22 C ATOM 1189 OD1 ASN A 70 0.650 17.298 -3.863 1.00 10.02 O ATOM 1190 ND2 ASN A 70 -0.292 16.622 -1.939 1.00 45.12 N ATOM 0 H ASN A 70 1.187 15.527 -4.713 1.00 63.22 H new ATOM 0 HA ASN A 70 -1.388 14.635 -5.787 1.00 32.24 H new ATOM 0 HB2 ASN A 70 -2.173 16.440 -4.102 1.00 24.22 H new ATOM 0 HB3 ASN A 70 -1.499 14.955 -3.461 1.00 24.22 H new ATOM 0 HD21 ASN A 70 0.381 17.140 -1.375 1.00 45.12 H new ATOM 0 HD22 ASN A 70 -1.025 16.077 -1.486 1.00 45.12 H new ATOM 1197 N ALA A 71 -2.172 17.181 -6.432 1.00 32.03 N ATOM 1198 CA ALA A 71 -2.470 18.314 -7.301 1.00 71.43 C ATOM 1199 C ALA A 71 -1.842 19.596 -6.765 1.00 72.12 C ATOM 1200 O ALA A 71 -1.845 20.626 -7.437 1.00 51.20 O ATOM 1201 CB ALA A 71 -3.975 18.482 -7.449 1.00 54.12 C ATOM 0 H ALA A 71 -2.966 16.850 -5.884 1.00 32.03 H new ATOM 0 HA ALA A 71 -2.040 18.113 -8.282 1.00 71.43 H new ATOM 0 HB1 ALA A 71 -4.184 19.331 -8.100 1.00 54.12 H new ATOM 0 HB2 ALA A 71 -4.401 17.578 -7.884 1.00 54.12 H new ATOM 0 HB3 ALA A 71 -4.420 18.658 -6.469 1.00 54.12 H new ATOM 1207 N ALA A 72 -1.306 19.525 -5.551 1.00 73.21 N ATOM 1208 CA ALA A 72 -0.675 20.680 -4.926 1.00 11.21 C ATOM 1209 C ALA A 72 0.809 20.749 -5.273 1.00 61.34 C ATOM 1210 O ALA A 72 1.559 21.520 -4.677 1.00 43.54 O ATOM 1211 CB ALA A 72 -0.864 20.634 -3.417 1.00 31.41 C ATOM 0 H ALA A 72 -1.296 18.679 -4.981 1.00 73.21 H new ATOM 0 HA ALA A 72 -1.155 21.579 -5.314 1.00 11.21 H new ATOM 0 HB1 ALA A 72 -0.387 21.503 -2.964 1.00 31.41 H new ATOM 0 HB2 ALA A 72 -1.929 20.641 -3.183 1.00 31.41 H new ATOM 0 HB3 ALA A 72 -0.412 19.725 -3.021 1.00 31.41 H new ATOM 1217 N ASN A 73 1.224 19.936 -6.239 1.00 35.32 N ATOM 1218 CA ASN A 73 2.618 19.904 -6.664 1.00 41.33 C ATOM 1219 C ASN A 73 3.522 19.423 -5.532 1.00 21.04 C ATOM 1220 O ASN A 73 4.740 19.594 -5.581 1.00 41.50 O ATOM 1221 CB ASN A 73 3.063 21.292 -7.132 1.00 54.44 C ATOM 1222 CG ASN A 73 1.939 22.064 -7.797 1.00 2.30 C ATOM 1223 OD1 ASN A 73 1.162 21.507 -8.572 1.00 13.51 O ATOM 1224 ND2 ASN A 73 1.850 23.355 -7.496 1.00 64.53 N ATOM 0 H ASN A 73 0.615 19.291 -6.742 1.00 35.32 H new ATOM 0 HA ASN A 73 2.702 19.203 -7.495 1.00 41.33 H new ATOM 0 HB2 ASN A 73 3.434 21.859 -6.278 1.00 54.44 H new ATOM 0 HB3 ASN A 73 3.893 21.188 -7.831 1.00 54.44 H new ATOM 0 HD21 ASN A 73 1.115 23.926 -7.913 1.00 64.53 H new ATOM 0 HD22 ASN A 73 2.517 23.775 -6.848 1.00 64.53 H new ATOM 1231 N ARG A 74 2.915 18.824 -4.514 1.00 62.21 N ATOM 1232 CA ARG A 74 3.664 18.318 -3.368 1.00 1.34 C ATOM 1233 C ARG A 74 4.005 16.842 -3.549 1.00 1.15 C ATOM 1234 O ARG A 74 3.218 16.075 -4.106 1.00 24.52 O ATOM 1235 CB ARG A 74 2.861 18.513 -2.082 1.00 22.25 C ATOM 1236 CG ARG A 74 3.704 18.434 -0.819 1.00 51.30 C ATOM 1237 CD ARG A 74 3.978 19.816 -0.244 1.00 55.01 C ATOM 1238 NE ARG A 74 4.705 19.747 1.020 1.00 0.23 N ATOM 1239 CZ ARG A 74 5.299 20.793 1.583 1.00 24.22 C ATOM 1240 NH1 ARG A 74 5.251 21.982 0.997 1.00 65.25 N ATOM 1241 NH2 ARG A 74 5.942 20.652 2.736 1.00 12.45 N ATOM 0 H ARG A 74 1.907 18.677 -4.458 1.00 62.21 H new ATOM 0 HA ARG A 74 4.595 18.881 -3.297 1.00 1.34 H new ATOM 0 HB2 ARG A 74 2.365 19.483 -2.117 1.00 22.25 H new ATOM 0 HB3 ARG A 74 2.078 17.756 -2.034 1.00 22.25 H new ATOM 0 HG2 ARG A 74 3.191 17.825 -0.075 1.00 51.30 H new ATOM 0 HG3 ARG A 74 4.649 17.937 -1.041 1.00 51.30 H new ATOM 0 HD2 ARG A 74 4.554 20.400 -0.962 1.00 55.01 H new ATOM 0 HD3 ARG A 74 3.034 20.339 -0.091 1.00 55.01 H new ATOM 0 HE ARG A 74 4.760 18.847 1.497 1.00 0.23 H new ATOM 0 HH11 ARG A 74 4.757 22.095 0.112 1.00 65.25 H new ATOM 0 HH12 ARG A 74 5.708 22.784 1.432 1.00 65.25 H new ATOM 0 HH21 ARG A 74 5.980 19.740 3.190 1.00 12.45 H new ATOM 0 HH22 ARG A 74 6.398 21.456 3.167 1.00 12.45 H new ATOM 1255 N THR A 75 5.184 16.450 -3.076 1.00 1.12 N ATOM 1256 CA THR A 75 5.630 15.068 -3.186 1.00 42.32 C ATOM 1257 C THR A 75 5.965 14.486 -1.817 1.00 15.43 C ATOM 1258 O THR A 75 6.615 15.134 -0.998 1.00 13.33 O ATOM 1259 CB THR A 75 6.866 14.948 -4.098 1.00 71.32 C ATOM 1260 OG1 THR A 75 7.723 16.079 -3.913 1.00 14.14 O ATOM 1261 CG2 THR A 75 6.453 14.850 -5.559 1.00 24.24 C ATOM 0 H THR A 75 5.847 17.071 -2.613 1.00 1.12 H new ATOM 0 HA THR A 75 4.806 14.505 -3.625 1.00 42.32 H new ATOM 0 HB THR A 75 7.403 14.039 -3.828 1.00 71.32 H new ATOM 0 HG1 THR A 75 8.507 15.994 -4.495 1.00 14.14 H new ATOM 0 HG21 THR A 75 7.342 14.766 -6.184 1.00 24.24 H new ATOM 0 HG22 THR A 75 5.825 13.970 -5.701 1.00 24.24 H new ATOM 0 HG23 THR A 75 5.895 15.743 -5.840 1.00 24.24 H new ATOM 1269 N GLY A 76 5.515 13.258 -1.575 1.00 32.15 N ATOM 1270 CA GLY A 76 5.776 12.610 -0.303 1.00 22.34 C ATOM 1271 C GLY A 76 5.854 11.102 -0.426 1.00 22.12 C ATOM 1272 O GLY A 76 5.793 10.558 -1.529 1.00 33.04 O ATOM 0 H GLY A 76 4.975 12.701 -2.237 1.00 32.15 H new ATOM 0 HA2 GLY A 76 6.713 12.987 0.108 1.00 22.34 H new ATOM 0 HA3 GLY A 76 4.989 12.874 0.404 1.00 22.34 H new ATOM 1276 N TYR A 77 5.993 10.424 0.708 1.00 71.13 N ATOM 1277 CA TYR A 77 6.083 8.968 0.722 1.00 21.14 C ATOM 1278 C TYR A 77 4.845 8.352 1.363 1.00 54.13 C ATOM 1279 O TYR A 77 4.194 8.969 2.208 1.00 42.45 O ATOM 1280 CB TYR A 77 7.338 8.523 1.476 1.00 54.11 C ATOM 1281 CG TYR A 77 8.589 8.531 0.627 1.00 24.55 C ATOM 1282 CD1 TYR A 77 9.371 9.674 0.522 1.00 23.11 C ATOM 1283 CD2 TYR A 77 8.990 7.397 -0.067 1.00 55.31 C ATOM 1284 CE1 TYR A 77 10.516 9.686 -0.252 1.00 1.42 C ATOM 1285 CE2 TYR A 77 10.133 7.400 -0.842 1.00 74.04 C ATOM 1286 CZ TYR A 77 10.892 8.548 -0.932 1.00 35.21 C ATOM 1287 OH TYR A 77 12.032 8.556 -1.704 1.00 62.20 O ATOM 0 H TYR A 77 6.046 10.859 1.629 1.00 71.13 H new ATOM 0 HA TYR A 77 6.144 8.622 -0.310 1.00 21.14 H new ATOM 0 HB2 TYR A 77 7.487 9.178 2.334 1.00 54.11 H new ATOM 0 HB3 TYR A 77 7.180 7.517 1.866 1.00 54.11 H new ATOM 0 HD1 TYR A 77 9.080 10.568 1.054 1.00 23.11 H new ATOM 0 HD2 TYR A 77 8.397 6.497 0.001 1.00 55.31 H new ATOM 0 HE1 TYR A 77 11.113 10.583 -0.324 1.00 1.42 H new ATOM 0 HE2 TYR A 77 10.431 6.509 -1.374 1.00 74.04 H new ATOM 0 HH TYR A 77 12.155 7.675 -2.115 1.00 62.20 H new ATOM 1297 N VAL A 78 4.521 7.128 0.956 1.00 45.14 N ATOM 1298 CA VAL A 78 3.362 6.425 1.491 1.00 54.32 C ATOM 1299 C VAL A 78 3.522 4.915 1.352 1.00 51.35 C ATOM 1300 O VAL A 78 4.131 4.415 0.405 1.00 61.14 O ATOM 1301 CB VAL A 78 2.066 6.859 0.781 1.00 54.20 C ATOM 1302 CG1 VAL A 78 1.583 8.196 1.320 1.00 42.34 C ATOM 1303 CG2 VAL A 78 2.280 6.929 -0.724 1.00 65.04 C ATOM 0 H VAL A 78 5.046 6.603 0.257 1.00 45.14 H new ATOM 0 HA VAL A 78 3.294 6.685 2.547 1.00 54.32 H new ATOM 0 HB VAL A 78 1.297 6.114 0.982 1.00 54.20 H new ATOM 0 HG11 VAL A 78 0.666 8.486 0.806 1.00 42.34 H new ATOM 0 HG12 VAL A 78 1.388 8.108 2.389 1.00 42.34 H new ATOM 0 HG13 VAL A 78 2.348 8.954 1.152 1.00 42.34 H new ATOM 0 HG21 VAL A 78 1.354 7.237 -1.209 1.00 65.04 H new ATOM 0 HG22 VAL A 78 3.064 7.652 -0.947 1.00 65.04 H new ATOM 0 HG23 VAL A 78 2.575 5.948 -1.096 1.00 65.04 H new ATOM 1313 N PRO A 79 2.964 4.169 2.316 1.00 51.42 N ATOM 1314 CA PRO A 79 3.031 2.705 2.324 1.00 71.14 C ATOM 1315 C PRO A 79 2.188 2.081 1.217 1.00 73.43 C ATOM 1316 O PRO A 79 0.986 2.332 1.120 1.00 25.33 O ATOM 1317 CB PRO A 79 2.470 2.330 3.698 1.00 4.33 C ATOM 1318 CG PRO A 79 1.589 3.473 4.071 1.00 72.15 C ATOM 1319 CD PRO A 79 2.223 4.699 3.473 1.00 73.24 C ATOM 0 HA PRO A 79 4.044 2.343 2.149 1.00 71.14 H new ATOM 0 HB2 PRO A 79 1.910 1.396 3.656 1.00 4.33 H new ATOM 0 HB3 PRO A 79 3.268 2.191 4.427 1.00 4.33 H new ATOM 0 HG2 PRO A 79 0.579 3.329 3.686 1.00 72.15 H new ATOM 0 HG3 PRO A 79 1.507 3.565 5.154 1.00 72.15 H new ATOM 0 HD2 PRO A 79 1.475 5.431 3.170 1.00 73.24 H new ATOM 0 HD3 PRO A 79 2.886 5.195 4.182 1.00 73.24 H new ATOM 1327 N SER A 80 2.824 1.263 0.383 1.00 64.33 N ATOM 1328 CA SER A 80 2.133 0.605 -0.719 1.00 50.11 C ATOM 1329 C SER A 80 0.998 -0.273 -0.201 1.00 34.13 C ATOM 1330 O SER A 80 0.092 -0.640 -0.950 1.00 63.50 O ATOM 1331 CB SER A 80 3.115 -0.239 -1.532 1.00 42.43 C ATOM 1332 OG SER A 80 3.548 -1.371 -0.796 1.00 3.33 O ATOM 0 H SER A 80 3.817 1.041 0.450 1.00 64.33 H new ATOM 0 HA SER A 80 1.708 1.376 -1.362 1.00 50.11 H new ATOM 0 HB2 SER A 80 2.640 -0.564 -2.458 1.00 42.43 H new ATOM 0 HB3 SER A 80 3.976 0.368 -1.811 1.00 42.43 H new ATOM 0 HG SER A 80 4.431 -1.192 -0.410 1.00 3.33 H new ATOM 1338 N ASN A 81 1.054 -0.605 1.085 1.00 4.42 N ATOM 1339 CA ASN A 81 0.031 -1.440 1.704 1.00 63.23 C ATOM 1340 C ASN A 81 -1.288 -0.685 1.825 1.00 23.24 C ATOM 1341 O ASN A 81 -2.365 -1.279 1.754 1.00 1.34 O ATOM 1342 CB ASN A 81 0.493 -1.908 3.085 1.00 63.22 C ATOM 1343 CG ASN A 81 1.466 -3.069 3.008 1.00 73.03 C ATOM 1344 OD1 ASN A 81 2.033 -3.349 1.951 1.00 4.45 O ATOM 1345 ND2 ASN A 81 1.660 -3.753 4.130 1.00 43.24 N ATOM 0 H ASN A 81 1.797 -0.309 1.718 1.00 4.42 H new ATOM 0 HA ASN A 81 -0.127 -2.310 1.067 1.00 63.23 H new ATOM 0 HB2 ASN A 81 0.965 -1.076 3.608 1.00 63.22 H new ATOM 0 HB3 ASN A 81 -0.375 -2.204 3.674 1.00 63.22 H new ATOM 0 HD21 ASN A 81 2.301 -4.547 4.139 1.00 43.24 H new ATOM 0 HD22 ASN A 81 1.168 -3.485 4.982 1.00 43.24 H new ATOM 1352 N TYR A 82 -1.197 0.628 2.008 1.00 22.20 N ATOM 1353 CA TYR A 82 -2.384 1.465 2.140 1.00 23.42 C ATOM 1354 C TYR A 82 -2.779 2.066 0.796 1.00 71.20 C ATOM 1355 O TYR A 82 -3.721 2.855 0.709 1.00 2.31 O ATOM 1356 CB TYR A 82 -2.134 2.581 3.156 1.00 31.54 C ATOM 1357 CG TYR A 82 -1.942 2.082 4.571 1.00 62.24 C ATOM 1358 CD1 TYR A 82 -0.768 1.440 4.949 1.00 71.21 C ATOM 1359 CD2 TYR A 82 -2.934 2.247 5.529 1.00 32.32 C ATOM 1360 CE1 TYR A 82 -0.588 0.981 6.239 1.00 42.24 C ATOM 1361 CE2 TYR A 82 -2.762 1.792 6.822 1.00 10.02 C ATOM 1362 CZ TYR A 82 -1.589 1.159 7.172 1.00 44.43 C ATOM 1363 OH TYR A 82 -1.413 0.703 8.458 1.00 1.03 O ATOM 0 H TYR A 82 -0.314 1.135 2.068 1.00 22.20 H new ATOM 0 HA TYR A 82 -3.203 0.838 2.491 1.00 23.42 H new ATOM 0 HB2 TYR A 82 -1.250 3.143 2.855 1.00 31.54 H new ATOM 0 HB3 TYR A 82 -2.975 3.274 3.135 1.00 31.54 H new ATOM 0 HD1 TYR A 82 0.017 1.298 4.221 1.00 71.21 H new ATOM 0 HD2 TYR A 82 -3.856 2.740 5.258 1.00 32.32 H new ATOM 0 HE1 TYR A 82 0.331 0.486 6.516 1.00 42.24 H new ATOM 0 HE2 TYR A 82 -3.543 1.932 7.555 1.00 10.02 H new ATOM 0 HH TYR A 82 -1.556 -0.266 8.484 1.00 1.03 H new ATOM 1373 N VAL A 83 -2.054 1.687 -0.251 1.00 24.34 N ATOM 1374 CA VAL A 83 -2.329 2.185 -1.593 1.00 1.23 C ATOM 1375 C VAL A 83 -2.498 1.038 -2.583 1.00 64.11 C ATOM 1376 O VAL A 83 -2.038 -0.077 -2.338 1.00 43.21 O ATOM 1377 CB VAL A 83 -1.205 3.114 -2.088 1.00 21.24 C ATOM 1378 CG1 VAL A 83 -0.158 2.324 -2.857 1.00 73.21 C ATOM 1379 CG2 VAL A 83 -1.777 4.233 -2.947 1.00 61.41 C ATOM 0 H VAL A 83 -1.271 1.036 -0.196 1.00 24.34 H new ATOM 0 HA VAL A 83 -3.259 2.750 -1.535 1.00 1.23 H new ATOM 0 HB VAL A 83 -0.722 3.563 -1.220 1.00 21.24 H new ATOM 0 HG11 VAL A 83 0.628 2.998 -3.199 1.00 73.21 H new ATOM 0 HG12 VAL A 83 0.274 1.563 -2.207 1.00 73.21 H new ATOM 0 HG13 VAL A 83 -0.624 1.844 -3.718 1.00 73.21 H new ATOM 0 HG21 VAL A 83 -0.968 4.880 -3.288 1.00 61.41 H new ATOM 0 HG22 VAL A 83 -2.287 3.805 -3.810 1.00 61.41 H new ATOM 0 HG23 VAL A 83 -2.485 4.817 -2.359 1.00 61.41 H new ATOM 1389 N GLU A 84 -3.160 1.319 -3.700 1.00 53.53 N ATOM 1390 CA GLU A 84 -3.390 0.309 -4.727 1.00 2.51 C ATOM 1391 C GLU A 84 -3.711 0.961 -6.068 1.00 60.43 C ATOM 1392 O GLU A 84 -4.796 1.511 -6.260 1.00 2.02 O ATOM 1393 CB GLU A 84 -4.531 -0.621 -4.312 1.00 42.40 C ATOM 1394 CG GLU A 84 -4.393 -2.033 -4.857 1.00 1.15 C ATOM 1395 CD GLU A 84 -5.706 -2.793 -4.845 1.00 33.22 C ATOM 1396 OE1 GLU A 84 -6.506 -2.583 -3.910 1.00 31.25 O ATOM 1397 OE2 GLU A 84 -5.933 -3.598 -5.772 1.00 2.00 O ATOM 0 H GLU A 84 -3.547 2.237 -3.918 1.00 53.53 H new ATOM 0 HA GLU A 84 -2.477 -0.276 -4.837 1.00 2.51 H new ATOM 0 HB2 GLU A 84 -4.577 -0.663 -3.224 1.00 42.40 H new ATOM 0 HB3 GLU A 84 -5.476 -0.199 -4.655 1.00 42.40 H new ATOM 0 HG2 GLU A 84 -4.012 -1.989 -5.877 1.00 1.15 H new ATOM 0 HG3 GLU A 84 -3.657 -2.577 -4.265 1.00 1.15 H new ATOM 1404 N ARG A 85 -2.761 0.894 -6.995 1.00 41.11 N ATOM 1405 CA ARG A 85 -2.941 1.479 -8.318 1.00 75.32 C ATOM 1406 C ARG A 85 -4.112 0.825 -9.046 1.00 31.52 C ATOM 1407 O ARG A 85 -4.546 -0.271 -8.689 1.00 2.05 O ATOM 1408 CB ARG A 85 -1.664 1.325 -9.146 1.00 73.43 C ATOM 1409 CG ARG A 85 -1.194 -0.114 -9.280 1.00 74.25 C ATOM 1410 CD ARG A 85 -1.830 -0.799 -10.480 1.00 21.45 C ATOM 1411 NE ARG A 85 -2.614 -1.969 -10.090 1.00 51.31 N ATOM 1412 CZ ARG A 85 -3.177 -2.799 -10.962 1.00 1.14 C ATOM 1413 NH1 ARG A 85 -3.043 -2.589 -12.263 1.00 32.41 N ATOM 1414 NH2 ARG A 85 -3.875 -3.841 -10.531 1.00 31.41 N ATOM 0 H ARG A 85 -1.858 0.440 -6.854 1.00 41.11 H new ATOM 0 HA ARG A 85 -3.159 2.540 -8.192 1.00 75.32 H new ATOM 0 HB2 ARG A 85 -1.834 1.737 -10.141 1.00 73.43 H new ATOM 0 HB3 ARG A 85 -0.871 1.916 -8.688 1.00 73.43 H new ATOM 0 HG2 ARG A 85 -0.109 -0.136 -9.380 1.00 74.25 H new ATOM 0 HG3 ARG A 85 -1.441 -0.665 -8.372 1.00 74.25 H new ATOM 0 HD2 ARG A 85 -2.472 -0.091 -11.004 1.00 21.45 H new ATOM 0 HD3 ARG A 85 -1.051 -1.101 -11.180 1.00 21.45 H new ATOM 0 HE ARG A 85 -2.736 -2.159 -9.095 1.00 51.31 H new ATOM 0 HH11 ARG A 85 -2.507 -1.789 -12.598 1.00 32.41 H new ATOM 0 HH12 ARG A 85 -3.476 -3.228 -12.930 1.00 32.41 H new ATOM 0 HH21 ARG A 85 -3.980 -4.006 -9.530 1.00 31.41 H new ATOM 0 HH22 ARG A 85 -4.307 -4.478 -11.201 1.00 31.41 H new ATOM 1428 N LYS A 86 -4.622 1.506 -10.067 1.00 24.51 N ATOM 1429 CA LYS A 86 -5.743 0.992 -10.846 1.00 24.45 C ATOM 1430 C LYS A 86 -5.531 1.245 -12.336 1.00 24.14 C ATOM 1431 O LYS A 86 -5.053 2.307 -12.732 1.00 0.32 O ATOM 1432 CB LYS A 86 -7.050 1.644 -10.388 1.00 0.42 C ATOM 1433 CG LYS A 86 -8.283 1.079 -11.071 1.00 4.41 C ATOM 1434 CD LYS A 86 -8.863 2.061 -12.076 1.00 62.21 C ATOM 1435 CE LYS A 86 -9.740 3.101 -11.396 1.00 24.31 C ATOM 1436 NZ LYS A 86 -10.627 3.798 -12.367 1.00 22.15 N ATOM 0 H LYS A 86 -4.277 2.415 -10.374 1.00 24.51 H new ATOM 0 HA LYS A 86 -5.804 -0.084 -10.683 1.00 24.45 H new ATOM 0 HB2 LYS A 86 -7.152 1.517 -9.310 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -6.998 2.716 -10.579 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -8.026 0.149 -11.577 1.00 4.41 H new ATOM 0 HG3 LYS A 86 -9.036 0.836 -10.321 1.00 4.41 H new ATOM 0 HD2 LYS A 86 -8.053 2.559 -12.609 1.00 62.21 H new ATOM 0 HD3 LYS A 86 -9.448 1.520 -12.819 1.00 62.21 H new ATOM 0 HE2 LYS A 86 -10.348 2.619 -10.630 1.00 24.31 H new ATOM 0 HE3 LYS A 86 -9.110 3.832 -10.890 1.00 24.31 H new ATOM 0 HZ1 LYS A 86 -11.209 4.499 -11.865 1.00 22.15 H new ATOM 0 HZ2 LYS A 86 -10.047 4.279 -13.084 1.00 22.15 H new ATOM 0 HZ3 LYS A 86 -11.246 3.104 -12.832 1.00 22.15 H new