USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=10 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= -0.157 USER MOD Set 1.2: A 82 TYR OH : rot -54:sc= 1.14 USER MOD Single : A 11 ASN : amide:sc= -3 X(o=-3,f=-2.8) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -142:sc= 0.767 (180deg=-0.895) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.95) USER MOD Single : A 44 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Single : A 46 GLN : amide:sc= -0.0764 K(o=-0.076,f=-1.8) 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= -0.35 K(o=-0.35,f=-1.9) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 70:sc= -1.58 USER MOD Single : A 70 ASN : amide:sc= -0.411 K(o=-0.41,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.98) 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 80 SER OG : rot -101:sc= 1.32 USER MOD Single : A 81 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.759 -3.740 12.142 1.00 45.34 N ATOM 74 CA ARG A 5 -7.972 -2.793 11.361 1.00 31.42 C ATOM 75 C ARG A 5 -6.833 -3.502 10.633 1.00 23.13 C ATOM 76 O ARG A 5 -6.433 -4.611 10.987 1.00 35.33 O ATOM 77 CB ARG A 5 -7.409 -1.697 12.266 1.00 23.24 C ATOM 78 CG ARG A 5 -8.243 -0.427 12.278 1.00 44.12 C ATOM 79 CD ARG A 5 -7.368 0.815 12.334 1.00 12.54 C ATOM 80 NE ARG A 5 -7.392 1.558 11.077 1.00 13.24 N ATOM 81 CZ ARG A 5 -8.431 2.281 10.670 1.00 23.13 C ATOM 82 NH1 ARG A 5 -9.523 2.357 11.419 1.00 5.10 N ATOM 83 NH2 ARG A 5 -8.378 2.930 9.515 1.00 41.42 N ATOM 0 HA ARG A 5 -8.628 -2.340 10.618 1.00 31.42 H new ATOM 0 HB2 ARG A 5 -7.333 -2.081 13.283 1.00 23.24 H new ATOM 0 HB3 ARG A 5 -6.397 -1.454 11.941 1.00 23.24 H new ATOM 0 HG2 ARG A 5 -8.868 -0.393 11.386 1.00 44.12 H new ATOM 0 HG3 ARG A 5 -8.914 -0.439 13.137 1.00 44.12 H new ATOM 0 HD2 ARG A 5 -7.707 1.461 13.144 1.00 12.54 H new ATOM 0 HD3 ARG A 5 -6.343 0.526 12.565 1.00 12.54 H new ATOM 0 HE ARG A 5 -6.567 1.520 10.479 1.00 13.24 H new ATOM 0 HH11 ARG A 5 -9.567 1.860 12.309 1.00 5.10 H new ATOM 0 HH12 ARG A 5 -10.319 2.912 11.105 1.00 5.10 H new ATOM 0 HH21 ARG A 5 -7.539 2.875 8.937 1.00 41.42 H new ATOM 0 HH22 ARG A 5 -9.176 3.484 9.204 1.00 41.42 H new ATOM 97 N PRO A 6 -6.300 -2.850 9.590 1.00 21.54 N ATOM 98 CA PRO A 6 -5.200 -3.398 8.792 1.00 22.15 C ATOM 99 C PRO A 6 -3.886 -3.439 9.565 1.00 74.10 C ATOM 100 O PRO A 6 -3.751 -2.851 10.637 1.00 44.11 O ATOM 101 CB PRO A 6 -5.097 -2.426 7.614 1.00 10.42 C ATOM 102 CG PRO A 6 -5.652 -1.143 8.132 1.00 53.14 C ATOM 103 CD PRO A 6 -6.726 -1.523 9.113 1.00 55.43 C ATOM 0 HA PRO A 6 -5.387 -4.430 8.496 1.00 22.15 H new ATOM 0 HB2 PRO A 6 -4.064 -2.307 7.288 1.00 10.42 H new ATOM 0 HB3 PRO A 6 -5.664 -2.784 6.754 1.00 10.42 H new ATOM 0 HG2 PRO A 6 -4.876 -0.548 8.614 1.00 53.14 H new ATOM 0 HG3 PRO A 6 -6.060 -0.539 7.322 1.00 53.14 H new ATOM 0 HD2 PRO A 6 -6.795 -0.805 9.931 1.00 55.43 H new ATOM 0 HD3 PRO A 6 -7.707 -1.562 8.639 1.00 55.43 H new ATOM 111 N PRO A 7 -2.894 -4.152 9.008 1.00 3.05 N ATOM 112 CA PRO A 7 -1.572 -4.285 9.629 1.00 31.21 C ATOM 113 C PRO A 7 -0.784 -2.981 9.601 1.00 4.15 C ATOM 114 O PRO A 7 -1.150 -2.020 8.923 1.00 44.31 O ATOM 115 CB PRO A 7 -0.882 -5.344 8.767 1.00 71.33 C ATOM 116 CG PRO A 7 -1.559 -5.256 7.443 1.00 22.43 C ATOM 117 CD PRO A 7 -2.986 -4.878 7.732 1.00 40.24 C ATOM 0 HA PRO A 7 -1.642 -4.552 10.684 1.00 31.21 H new ATOM 0 HB2 PRO A 7 0.187 -5.148 8.679 1.00 71.33 H new ATOM 0 HB3 PRO A 7 -0.989 -6.338 9.201 1.00 71.33 H new ATOM 0 HG2 PRO A 7 -1.079 -4.511 6.808 1.00 22.43 H new ATOM 0 HG3 PRO A 7 -1.507 -6.208 6.914 1.00 22.43 H new ATOM 0 HD2 PRO A 7 -3.404 -4.253 6.943 1.00 40.24 H new ATOM 0 HD3 PRO A 7 -3.626 -5.757 7.815 1.00 40.24 H new ATOM 125 N PRO A 8 0.324 -2.942 10.356 1.00 43.23 N ATOM 126 CA PRO A 8 1.188 -1.760 10.434 1.00 24.52 C ATOM 127 C PRO A 8 1.946 -1.508 9.135 1.00 53.13 C ATOM 128 O PRO A 8 1.786 -2.242 8.159 1.00 33.43 O ATOM 129 CB PRO A 8 2.162 -2.107 11.563 1.00 63.01 C ATOM 130 CG PRO A 8 2.196 -3.596 11.590 1.00 64.10 C ATOM 131 CD PRO A 8 0.819 -4.049 11.192 1.00 42.50 C ATOM 0 HA PRO A 8 0.617 -0.849 10.610 1.00 24.52 H new ATOM 0 HB2 PRO A 8 3.152 -1.692 11.373 1.00 63.01 H new ATOM 0 HB3 PRO A 8 1.824 -1.701 12.516 1.00 63.01 H new ATOM 0 HG2 PRO A 8 2.948 -3.982 10.901 1.00 64.10 H new ATOM 0 HG3 PRO A 8 2.455 -3.962 12.583 1.00 64.10 H new ATOM 0 HD2 PRO A 8 0.849 -4.988 10.639 1.00 42.50 H new ATOM 0 HD3 PRO A 8 0.182 -4.212 12.062 1.00 42.50 H new ATOM 139 N VAL A 9 2.773 -0.468 9.130 1.00 14.23 N ATOM 140 CA VAL A 9 3.556 -0.121 7.950 1.00 44.31 C ATOM 141 C VAL A 9 4.527 -1.239 7.587 1.00 51.15 C ATOM 142 O VAL A 9 5.195 -1.818 8.444 1.00 20.20 O ATOM 143 CB VAL A 9 4.350 1.181 8.167 1.00 0.22 C ATOM 144 CG1 VAL A 9 3.416 2.383 8.164 1.00 51.24 C ATOM 145 CG2 VAL A 9 5.140 1.113 9.465 1.00 2.40 C ATOM 0 H VAL A 9 2.918 0.149 9.929 1.00 14.23 H new ATOM 0 HA VAL A 9 2.850 0.024 7.133 1.00 44.31 H new ATOM 0 HB VAL A 9 5.056 1.297 7.344 1.00 0.22 H new ATOM 0 HG11 VAL A 9 3.995 3.294 8.319 1.00 51.24 H new ATOM 0 HG12 VAL A 9 2.899 2.440 7.206 1.00 51.24 H new ATOM 0 HG13 VAL A 9 2.685 2.277 8.965 1.00 51.24 H new ATOM 0 HG21 VAL A 9 5.695 2.041 9.602 1.00 2.40 H new ATOM 0 HG22 VAL A 9 4.455 0.973 10.301 1.00 2.40 H new ATOM 0 HG23 VAL A 9 5.837 0.276 9.423 1.00 2.40 H new ATOM 155 N PRO A 10 4.609 -1.552 6.285 1.00 74.10 N ATOM 156 CA PRO A 10 5.495 -2.603 5.778 1.00 33.10 C ATOM 157 C PRO A 10 6.967 -2.218 5.878 1.00 52.03 C ATOM 158 O PRO A 10 7.601 -1.890 4.876 1.00 73.33 O ATOM 159 CB PRO A 10 5.077 -2.744 4.312 1.00 35.15 C ATOM 160 CG PRO A 10 4.494 -1.419 3.956 1.00 10.23 C ATOM 161 CD PRO A 10 3.841 -0.904 5.208 1.00 21.23 C ATOM 0 HA PRO A 10 5.403 -3.525 6.352 1.00 33.10 H new ATOM 0 HB2 PRO A 10 5.931 -2.984 3.678 1.00 35.15 H new ATOM 0 HB3 PRO A 10 4.349 -3.545 4.183 1.00 35.15 H new ATOM 0 HG2 PRO A 10 5.267 -0.733 3.609 1.00 10.23 H new ATOM 0 HG3 PRO A 10 3.768 -1.516 3.149 1.00 10.23 H new ATOM 0 HD2 PRO A 10 3.897 0.183 5.272 1.00 21.23 H new ATOM 0 HD3 PRO A 10 2.785 -1.172 5.250 1.00 21.23 H new ATOM 169 N ASN A 11 7.504 -2.262 7.092 1.00 32.45 N ATOM 170 CA ASN A 11 8.902 -1.916 7.323 1.00 12.51 C ATOM 171 C ASN A 11 9.320 -0.733 6.454 1.00 23.44 C ATOM 172 O ASN A 11 9.924 -0.891 5.394 1.00 65.34 O ATOM 173 CB ASN A 11 9.800 -3.120 7.031 1.00 5.34 C ATOM 174 CG ASN A 11 9.519 -3.736 5.674 1.00 41.11 C ATOM 175 OD1 ASN A 11 10.140 -3.374 4.675 1.00 31.02 O ATOM 176 ND2 ASN A 11 8.579 -4.672 5.633 1.00 34.21 N ATOM 0 H ASN A 11 6.993 -2.534 7.932 1.00 32.45 H new ATOM 0 HA ASN A 11 9.013 -1.632 8.370 1.00 12.51 H new ATOM 0 HB2 ASN A 11 10.844 -2.811 7.077 1.00 5.34 H new ATOM 0 HB3 ASN A 11 9.656 -3.873 7.806 1.00 5.34 H new ATOM 0 HD21 ASN A 11 8.346 -5.122 4.748 1.00 34.21 H new ATOM 0 HD22 ASN A 11 8.089 -4.941 6.486 1.00 34.21 H new ATOM 183 N PRO A 12 8.993 0.484 6.916 1.00 30.02 N ATOM 184 CA PRO A 12 9.324 1.718 6.198 1.00 41.44 C ATOM 185 C PRO A 12 10.821 2.009 6.209 1.00 41.02 C ATOM 186 O PRO A 12 11.493 1.820 7.224 1.00 2.43 O ATOM 187 CB PRO A 12 8.564 2.796 6.974 1.00 63.41 C ATOM 188 CG PRO A 12 8.408 2.235 8.346 1.00 12.31 C ATOM 189 CD PRO A 12 8.272 0.748 8.172 1.00 62.11 C ATOM 0 HA PRO A 12 9.052 1.662 5.144 1.00 41.44 H new ATOM 0 HB2 PRO A 12 9.116 3.736 6.991 1.00 63.41 H new ATOM 0 HB3 PRO A 12 7.596 3.004 6.518 1.00 63.41 H new ATOM 0 HG2 PRO A 12 9.270 2.478 8.967 1.00 12.31 H new ATOM 0 HG3 PRO A 12 7.531 2.652 8.841 1.00 12.31 H new ATOM 0 HD2 PRO A 12 8.710 0.204 9.009 1.00 62.11 H new ATOM 0 HD3 PRO A 12 7.227 0.445 8.107 1.00 62.11 H new ATOM 197 N ASP A 13 11.338 2.472 5.076 1.00 13.50 N ATOM 198 CA ASP A 13 12.756 2.791 4.956 1.00 54.05 C ATOM 199 C ASP A 13 12.950 4.225 4.473 1.00 71.44 C ATOM 200 O ASP A 13 13.820 4.500 3.646 1.00 70.13 O ATOM 201 CB ASP A 13 13.439 1.818 3.994 1.00 3.41 C ATOM 202 CG ASP A 13 13.339 0.379 4.457 1.00 34.10 C ATOM 203 OD1 ASP A 13 12.613 -0.405 3.808 1.00 22.33 O ATOM 204 OD2 ASP A 13 13.985 0.035 5.469 1.00 51.14 O ATOM 0 H ASP A 13 10.796 2.635 4.227 1.00 13.50 H new ATOM 0 HA ASP A 13 13.211 2.694 5.942 1.00 54.05 H new ATOM 0 HB2 ASP A 13 12.987 1.911 3.007 1.00 3.41 H new ATOM 0 HB3 ASP A 13 14.489 2.091 3.891 1.00 3.41 H new ATOM 210 N TYR A 14 12.135 5.134 4.994 1.00 34.21 N ATOM 211 CA TYR A 14 12.215 6.540 4.613 1.00 75.12 C ATOM 212 C TYR A 14 13.240 7.278 5.467 1.00 41.20 C ATOM 213 O TYR A 14 13.387 8.495 5.368 1.00 51.32 O ATOM 214 CB TYR A 14 10.845 7.206 4.751 1.00 42.22 C ATOM 215 CG TYR A 14 10.082 6.771 5.981 1.00 33.15 C ATOM 216 CD1 TYR A 14 10.710 6.680 7.217 1.00 34.02 C ATOM 217 CD2 TYR A 14 8.731 6.451 5.907 1.00 72.14 C ATOM 218 CE1 TYR A 14 10.015 6.281 8.344 1.00 4.03 C ATOM 219 CE2 TYR A 14 8.029 6.053 7.029 1.00 54.44 C ATOM 220 CZ TYR A 14 8.675 5.969 8.244 1.00 53.25 C ATOM 221 OH TYR A 14 7.980 5.574 9.363 1.00 63.24 O ATOM 0 H TYR A 14 11.411 4.924 5.681 1.00 34.21 H new ATOM 0 HA TYR A 14 12.533 6.591 3.572 1.00 75.12 H new ATOM 0 HB2 TYR A 14 10.977 8.288 4.779 1.00 42.22 H new ATOM 0 HB3 TYR A 14 10.250 6.981 3.866 1.00 42.22 H new ATOM 0 HD1 TYR A 14 11.759 6.925 7.299 1.00 34.02 H new ATOM 0 HD2 TYR A 14 8.222 6.515 4.957 1.00 72.14 H new ATOM 0 HE1 TYR A 14 10.518 6.214 9.297 1.00 4.03 H new ATOM 0 HE2 TYR A 14 6.980 5.809 6.954 1.00 54.44 H new ATOM 0 HH TYR A 14 7.048 5.392 9.122 1.00 63.24 H new ATOM 491 N GLU A 31 4.073 8.220 -16.596 1.00 73.33 N ATOM 492 CA GLU A 31 2.744 8.772 -16.356 1.00 24.51 C ATOM 493 C GLU A 31 1.852 7.755 -15.651 1.00 41.25 C ATOM 494 O GLU A 31 0.872 7.273 -16.219 1.00 32.41 O ATOM 495 CB GLU A 31 2.101 9.204 -17.674 1.00 23.52 C ATOM 496 CG GLU A 31 3.038 9.982 -18.582 1.00 14.11 C ATOM 497 CD GLU A 31 2.297 10.906 -19.532 1.00 62.44 C ATOM 498 OE1 GLU A 31 1.809 10.417 -20.572 1.00 33.05 O ATOM 499 OE2 GLU A 31 2.208 12.115 -19.234 1.00 62.43 O ATOM 0 HA GLU A 31 2.852 9.644 -15.711 1.00 24.51 H new ATOM 0 HB2 GLU A 31 1.747 8.319 -18.203 1.00 23.52 H new ATOM 0 HB3 GLU A 31 1.226 9.817 -17.458 1.00 23.52 H new ATOM 0 HG2 GLU A 31 3.725 10.569 -17.972 1.00 14.11 H new ATOM 0 HG3 GLU A 31 3.643 9.282 -19.159 1.00 14.11 H new ATOM 506 N VAL A 32 2.198 7.431 -14.409 1.00 44.05 N ATOM 507 CA VAL A 32 1.430 6.472 -13.625 1.00 53.04 C ATOM 508 C VAL A 32 0.665 7.165 -12.504 1.00 52.32 C ATOM 509 O VAL A 32 1.054 8.240 -12.047 1.00 63.10 O ATOM 510 CB VAL A 32 2.339 5.386 -13.018 1.00 34.10 C ATOM 511 CG1 VAL A 32 1.506 4.253 -12.439 1.00 14.25 C ATOM 512 CG2 VAL A 32 3.314 4.863 -14.062 1.00 21.40 C ATOM 0 H VAL A 32 3.007 7.820 -13.924 1.00 44.05 H new ATOM 0 HA VAL A 32 0.721 6.002 -14.307 1.00 53.04 H new ATOM 0 HB VAL A 32 2.915 5.831 -12.207 1.00 34.10 H new ATOM 0 HG11 VAL A 32 2.166 3.496 -12.015 1.00 14.25 H new ATOM 0 HG12 VAL A 32 0.853 4.644 -11.658 1.00 14.25 H new ATOM 0 HG13 VAL A 32 0.901 3.806 -13.228 1.00 14.25 H new ATOM 0 HG21 VAL A 32 3.948 4.097 -13.616 1.00 21.40 H new ATOM 0 HG22 VAL A 32 2.759 4.434 -14.896 1.00 21.40 H new ATOM 0 HG23 VAL A 32 3.935 5.683 -14.423 1.00 21.40 H new ATOM 522 N ILE A 33 -0.423 6.543 -12.065 1.00 11.01 N ATOM 523 CA ILE A 33 -1.242 7.100 -10.996 1.00 32.31 C ATOM 524 C ILE A 33 -1.722 6.007 -10.046 1.00 23.43 C ATOM 525 O ILE A 33 -2.188 4.953 -10.479 1.00 22.42 O ATOM 526 CB ILE A 33 -2.464 7.851 -11.555 1.00 54.54 C ATOM 527 CG1 ILE A 33 -2.020 9.122 -12.283 1.00 73.41 C ATOM 528 CG2 ILE A 33 -3.437 8.188 -10.435 1.00 60.53 C ATOM 529 CD1 ILE A 33 -3.150 9.844 -12.982 1.00 23.15 C ATOM 0 H ILE A 33 -0.758 5.653 -12.433 1.00 11.01 H new ATOM 0 HA ILE A 33 -0.613 7.803 -10.450 1.00 32.31 H new ATOM 0 HB ILE A 33 -2.973 7.205 -12.270 1.00 54.54 H new ATOM 0 HG12 ILE A 33 -1.556 9.799 -11.565 1.00 73.41 H new ATOM 0 HG13 ILE A 33 -1.256 8.863 -13.016 1.00 73.41 H new ATOM 0 HG21 ILE A 33 -4.296 8.719 -10.846 1.00 60.53 H new ATOM 0 HG22 ILE A 33 -3.774 7.268 -9.957 1.00 60.53 H new ATOM 0 HG23 ILE A 33 -2.939 8.819 -9.698 1.00 60.53 H new ATOM 0 HD11 ILE A 33 -2.762 10.735 -13.476 1.00 23.15 H new ATOM 0 HD12 ILE A 33 -3.600 9.184 -13.724 1.00 23.15 H new ATOM 0 HD13 ILE A 33 -3.904 10.134 -12.250 1.00 23.15 H new ATOM 541 N VAL A 34 -1.607 6.268 -8.746 1.00 55.10 N ATOM 542 CA VAL A 34 -2.032 5.310 -7.734 1.00 63.31 C ATOM 543 C VAL A 34 -3.305 5.775 -7.037 1.00 21.35 C ATOM 544 O VAL A 34 -3.796 6.876 -7.289 1.00 71.25 O ATOM 545 CB VAL A 34 -0.934 5.085 -6.678 1.00 4.11 C ATOM 546 CG1 VAL A 34 -1.087 6.071 -5.530 1.00 14.13 C ATOM 547 CG2 VAL A 34 -0.970 3.651 -6.168 1.00 24.14 C ATOM 0 H VAL A 34 -1.223 7.135 -8.371 1.00 55.10 H new ATOM 0 HA VAL A 34 -2.227 4.370 -8.250 1.00 63.31 H new ATOM 0 HB VAL A 34 0.036 5.256 -7.146 1.00 4.11 H new ATOM 0 HG11 VAL A 34 -0.302 5.897 -4.794 1.00 14.13 H new ATOM 0 HG12 VAL A 34 -1.007 7.089 -5.912 1.00 14.13 H new ATOM 0 HG13 VAL A 34 -2.061 5.935 -5.061 1.00 14.13 H new ATOM 0 HG21 VAL A 34 -0.187 3.510 -5.423 1.00 24.14 H new ATOM 0 HG22 VAL A 34 -1.941 3.450 -5.717 1.00 24.14 H new ATOM 0 HG23 VAL A 34 -0.807 2.965 -6.999 1.00 24.14 H new ATOM 557 N ILE A 35 -3.835 4.929 -6.158 1.00 40.11 N ATOM 558 CA ILE A 35 -5.050 5.255 -5.422 1.00 54.44 C ATOM 559 C ILE A 35 -4.973 4.756 -3.985 1.00 65.13 C ATOM 560 O ILE A 35 -4.745 3.571 -3.739 1.00 34.34 O ATOM 561 CB ILE A 35 -6.296 4.651 -6.098 1.00 34.15 C ATOM 562 CG1 ILE A 35 -6.432 5.174 -7.530 1.00 65.45 C ATOM 563 CG2 ILE A 35 -7.545 4.972 -5.291 1.00 13.13 C ATOM 564 CD1 ILE A 35 -7.640 4.631 -8.259 1.00 2.32 C ATOM 0 H ILE A 35 -3.442 4.014 -5.939 1.00 40.11 H new ATOM 0 HA ILE A 35 -5.137 6.342 -5.422 1.00 54.44 H new ATOM 0 HB ILE A 35 -6.180 3.568 -6.137 1.00 34.15 H new ATOM 0 HG12 ILE A 35 -6.491 6.262 -7.507 1.00 65.45 H new ATOM 0 HG13 ILE A 35 -5.533 4.915 -8.090 1.00 65.45 H new ATOM 0 HG21 ILE A 35 -8.417 4.539 -5.782 1.00 13.13 H new ATOM 0 HG22 ILE A 35 -7.448 4.555 -4.289 1.00 13.13 H new ATOM 0 HG23 ILE A 35 -7.667 6.053 -5.224 1.00 13.13 H new ATOM 0 HD11 ILE A 35 -7.673 5.044 -9.267 1.00 2.32 H new ATOM 0 HD12 ILE A 35 -7.574 3.544 -8.314 1.00 2.32 H new ATOM 0 HD13 ILE A 35 -8.546 4.912 -7.722 1.00 2.32 H new ATOM 576 N ALA A 36 -5.165 5.667 -3.036 1.00 53.43 N ATOM 577 CA ALA A 36 -5.121 5.319 -1.622 1.00 74.21 C ATOM 578 C ALA A 36 -6.354 4.517 -1.215 1.00 71.12 C ATOM 579 O ALA A 36 -7.471 5.034 -1.215 1.00 72.42 O ATOM 580 CB ALA A 36 -5.004 6.575 -0.772 1.00 13.14 C ATOM 0 H ALA A 36 -5.353 6.652 -3.222 1.00 53.43 H new ATOM 0 HA ALA A 36 -4.242 4.697 -1.454 1.00 74.21 H new ATOM 0 HB1 ALA A 36 -4.972 6.299 0.282 1.00 13.14 H new ATOM 0 HB2 ALA A 36 -4.091 7.109 -1.035 1.00 13.14 H new ATOM 0 HB3 ALA A 36 -5.865 7.218 -0.953 1.00 13.14 H new ATOM 586 N LYS A 37 -6.143 3.251 -0.870 1.00 10.44 N ATOM 587 CA LYS A 37 -7.234 2.377 -0.460 1.00 74.03 C ATOM 588 C LYS A 37 -7.942 2.931 0.772 1.00 72.31 C ATOM 589 O LYS A 37 -9.147 2.746 0.944 1.00 51.15 O ATOM 590 CB LYS A 37 -6.709 0.970 -0.171 1.00 44.13 C ATOM 591 CG LYS A 37 -5.810 0.418 -1.265 1.00 12.23 C ATOM 592 CD LYS A 37 -5.524 -1.059 -1.060 1.00 41.32 C ATOM 593 CE LYS A 37 -4.160 -1.279 -0.424 1.00 41.25 C ATOM 594 NZ LYS A 37 -3.363 -2.299 -1.161 1.00 3.33 N ATOM 0 H LYS A 37 -5.224 2.808 -0.867 1.00 10.44 H new ATOM 0 HA LYS A 37 -7.952 2.328 -1.278 1.00 74.03 H new ATOM 0 HB2 LYS A 37 -6.157 0.983 0.769 1.00 44.13 H new ATOM 0 HB3 LYS A 37 -7.555 0.297 -0.034 1.00 44.13 H new ATOM 0 HG2 LYS A 37 -6.284 0.566 -2.235 1.00 12.23 H new ATOM 0 HG3 LYS A 37 -4.872 0.972 -1.280 1.00 12.23 H new ATOM 0 HD2 LYS A 37 -6.297 -1.496 -0.427 1.00 41.32 H new ATOM 0 HD3 LYS A 37 -5.567 -1.576 -2.019 1.00 41.32 H new ATOM 0 HE2 LYS A 37 -3.613 -0.336 -0.403 1.00 41.25 H new ATOM 0 HE3 LYS A 37 -4.289 -1.597 0.611 1.00 41.25 H new ATOM 0 HZ1 LYS A 37 -2.829 -2.879 -0.483 1.00 3.33 H new ATOM 0 HZ2 LYS A 37 -4.002 -2.908 -1.710 1.00 3.33 H new ATOM 0 HZ3 LYS A 37 -2.700 -1.822 -1.805 1.00 3.33 H new ATOM 608 N TRP A 38 -7.185 3.610 1.627 1.00 72.44 N ATOM 609 CA TRP A 38 -7.741 4.191 2.844 1.00 22.13 C ATOM 610 C TRP A 38 -7.068 5.521 3.168 1.00 33.20 C ATOM 611 O TRP A 38 -6.296 6.047 2.367 1.00 64.11 O ATOM 612 CB TRP A 38 -7.578 3.224 4.017 1.00 3.10 C ATOM 613 CG TRP A 38 -7.480 1.789 3.595 1.00 33.04 C ATOM 614 CD1 TRP A 38 -6.342 1.046 3.469 1.00 44.12 C ATOM 615 CD2 TRP A 38 -8.567 0.925 3.240 1.00 61.05 C ATOM 616 NE1 TRP A 38 -6.653 -0.227 3.058 1.00 73.10 N ATOM 617 CE2 TRP A 38 -8.012 -0.327 2.912 1.00 42.25 C ATOM 618 CE3 TRP A 38 -9.952 1.086 3.171 1.00 54.42 C ATOM 619 CZ2 TRP A 38 -8.796 -1.409 2.519 1.00 13.43 C ATOM 620 CZ3 TRP A 38 -10.730 0.012 2.781 1.00 61.33 C ATOM 621 CH2 TRP A 38 -10.151 -1.222 2.459 1.00 60.53 C ATOM 0 H TRP A 38 -6.186 3.772 1.500 1.00 72.44 H new ATOM 0 HA TRP A 38 -8.803 4.373 2.678 1.00 22.13 H new ATOM 0 HB2 TRP A 38 -6.683 3.492 4.578 1.00 3.10 H new ATOM 0 HB3 TRP A 38 -8.425 3.339 4.694 1.00 3.10 H new ATOM 0 HD1 TRP A 38 -5.343 1.407 3.664 1.00 44.12 H new ATOM 0 HE1 TRP A 38 -5.982 -0.976 2.889 1.00 73.10 H new ATOM 0 HE3 TRP A 38 -10.408 2.033 3.418 1.00 54.42 H new ATOM 0 HZ2 TRP A 38 -8.351 -2.361 2.271 1.00 13.43 H new ATOM 0 HZ3 TRP A 38 -11.802 0.126 2.724 1.00 61.33 H new ATOM 0 HH2 TRP A 38 -10.786 -2.042 2.157 1.00 60.53 H new ATOM 632 N ASP A 39 -7.367 6.058 4.346 1.00 51.11 N ATOM 633 CA ASP A 39 -6.789 7.326 4.776 1.00 71.52 C ATOM 634 C ASP A 39 -5.682 7.100 5.801 1.00 74.24 C ATOM 635 O ASP A 39 -5.873 6.388 6.788 1.00 61.50 O ATOM 636 CB ASP A 39 -7.872 8.230 5.367 1.00 71.14 C ATOM 637 CG ASP A 39 -8.880 7.458 6.198 1.00 33.05 C ATOM 638 OD1 ASP A 39 -8.462 6.550 6.945 1.00 25.04 O ATOM 639 OD2 ASP A 39 -10.086 7.765 6.101 1.00 52.31 O ATOM 0 H ASP A 39 -8.006 5.635 5.020 1.00 51.11 H new ATOM 0 HA ASP A 39 -6.356 7.814 3.903 1.00 71.52 H new ATOM 0 HB2 ASP A 39 -7.404 8.995 5.987 1.00 71.14 H new ATOM 0 HB3 ASP A 39 -8.391 8.747 4.559 1.00 71.14 H new ATOM 645 N TYR A 40 -4.527 7.707 5.560 1.00 23.21 N ATOM 646 CA TYR A 40 -3.387 7.569 6.461 1.00 32.41 C ATOM 647 C TYR A 40 -2.867 8.935 6.893 1.00 4.03 C ATOM 648 O TYR A 40 -3.123 9.947 6.240 1.00 40.42 O ATOM 649 CB TYR A 40 -2.270 6.773 5.786 1.00 13.34 C ATOM 650 CG TYR A 40 -1.532 5.845 6.726 1.00 14.52 C ATOM 651 CD1 TYR A 40 -2.220 4.916 7.495 1.00 73.02 C ATOM 652 CD2 TYR A 40 -0.149 5.899 6.841 1.00 20.12 C ATOM 653 CE1 TYR A 40 -1.551 4.068 8.355 1.00 64.32 C ATOM 654 CE2 TYR A 40 0.528 5.053 7.699 1.00 44.24 C ATOM 655 CZ TYR A 40 -0.177 4.139 8.453 1.00 11.24 C ATOM 656 OH TYR A 40 0.494 3.295 9.307 1.00 23.22 O ATOM 0 H TYR A 40 -4.354 8.300 4.748 1.00 23.21 H new ATOM 0 HA TYR A 40 -3.720 7.031 7.349 1.00 32.41 H new ATOM 0 HB2 TYR A 40 -2.695 6.188 4.971 1.00 13.34 H new ATOM 0 HB3 TYR A 40 -1.557 7.468 5.342 1.00 13.34 H new ATOM 0 HD1 TYR A 40 -3.296 4.856 7.419 1.00 73.02 H new ATOM 0 HD2 TYR A 40 0.406 6.613 6.251 1.00 20.12 H new ATOM 0 HE1 TYR A 40 -2.101 3.352 8.948 1.00 64.32 H new ATOM 0 HE2 TYR A 40 1.604 5.108 7.778 1.00 44.24 H new ATOM 0 HH TYR A 40 -0.002 2.454 9.392 1.00 23.22 H new ATOM 666 N THR A 41 -2.129 8.957 8.000 1.00 71.31 N ATOM 667 CA THR A 41 -1.571 10.199 8.522 1.00 40.15 C ATOM 668 C THR A 41 -0.047 10.169 8.493 1.00 3.24 C ATOM 669 O THR A 41 0.576 9.249 9.021 1.00 52.33 O ATOM 670 CB THR A 41 -2.041 10.464 9.963 1.00 72.53 C ATOM 671 OG1 THR A 41 -3.246 9.736 10.228 1.00 41.32 O ATOM 672 CG2 THR A 41 -2.279 11.948 10.190 1.00 24.12 C ATOM 0 H THR A 41 -1.904 8.129 8.552 1.00 71.31 H new ATOM 0 HA THR A 41 -1.929 11.003 7.879 1.00 40.15 H new ATOM 0 HB THR A 41 -1.258 10.129 10.644 1.00 72.53 H new ATOM 0 HG1 THR A 41 -3.537 9.909 11.148 1.00 41.32 H new ATOM 0 HG21 THR A 41 -2.611 12.111 11.216 1.00 24.12 H new ATOM 0 HG22 THR A 41 -1.353 12.496 10.017 1.00 24.12 H new ATOM 0 HG23 THR A 41 -3.045 12.303 9.500 1.00 24.12 H new ATOM 680 N ALA A 42 0.548 11.184 7.874 1.00 44.24 N ATOM 681 CA ALA A 42 2.000 11.276 7.781 1.00 63.14 C ATOM 682 C ALA A 42 2.645 11.220 9.161 1.00 21.41 C ATOM 683 O ALA A 42 2.679 12.220 9.879 1.00 64.11 O ATOM 684 CB ALA A 42 2.402 12.553 7.059 1.00 24.21 C ATOM 0 H ALA A 42 0.047 11.954 7.430 1.00 44.24 H new ATOM 0 HA ALA A 42 2.357 10.420 7.209 1.00 63.14 H new ATOM 0 HB1 ALA A 42 3.489 12.609 6.997 1.00 24.21 H new ATOM 0 HB2 ALA A 42 1.980 12.551 6.054 1.00 24.21 H new ATOM 0 HB3 ALA A 42 2.025 13.416 7.609 1.00 24.21 H new ATOM 690 N GLN A 43 3.152 10.048 9.526 1.00 1.43 N ATOM 691 CA GLN A 43 3.794 9.863 10.822 1.00 14.24 C ATOM 692 C GLN A 43 4.968 10.822 10.990 1.00 51.22 C ATOM 693 O GLN A 43 5.341 11.171 12.110 1.00 74.32 O ATOM 694 CB GLN A 43 4.274 8.419 10.976 1.00 40.34 C ATOM 695 CG GLN A 43 4.967 7.873 9.738 1.00 44.31 C ATOM 696 CD GLN A 43 4.171 6.775 9.059 1.00 23.32 C ATOM 697 OE1 GLN A 43 4.123 5.641 9.538 1.00 24.23 O ATOM 698 NE2 GLN A 43 3.542 7.107 7.939 1.00 73.25 N ATOM 0 H GLN A 43 3.131 9.212 8.943 1.00 1.43 H new ATOM 0 HA GLN A 43 3.059 10.078 11.597 1.00 14.24 H new ATOM 0 HB2 GLN A 43 4.960 8.361 11.821 1.00 40.34 H new ATOM 0 HB3 GLN A 43 3.420 7.784 11.214 1.00 40.34 H new ATOM 0 HG2 GLN A 43 5.133 8.686 9.031 1.00 44.31 H new ATOM 0 HG3 GLN A 43 5.948 7.487 10.016 1.00 44.31 H new ATOM 0 HE21 GLN A 43 3.610 8.059 7.579 1.00 73.25 H new ATOM 0 HE22 GLN A 43 2.991 6.410 7.438 1.00 73.25 H new ATOM 707 N GLN A 44 5.545 11.244 9.869 1.00 42.30 N ATOM 708 CA GLN A 44 6.678 12.163 9.893 1.00 23.12 C ATOM 709 C GLN A 44 6.533 13.234 8.818 1.00 41.41 C ATOM 710 O GLN A 44 5.522 13.290 8.115 1.00 61.15 O ATOM 711 CB GLN A 44 7.986 11.396 9.693 1.00 22.34 C ATOM 712 CG GLN A 44 7.922 10.362 8.582 1.00 45.33 C ATOM 713 CD GLN A 44 9.204 9.564 8.452 1.00 23.33 C ATOM 714 OE1 GLN A 44 9.745 9.409 7.356 1.00 34.13 O ATOM 715 NE2 GLN A 44 9.701 9.054 9.572 1.00 34.54 N ATOM 0 H GLN A 44 5.247 10.965 8.934 1.00 42.30 H new ATOM 0 HA GLN A 44 6.697 12.653 10.867 1.00 23.12 H new ATOM 0 HB2 GLN A 44 8.783 12.106 9.472 1.00 22.34 H new ATOM 0 HB3 GLN A 44 8.252 10.899 10.626 1.00 22.34 H new ATOM 0 HG2 GLN A 44 7.093 9.681 8.772 1.00 45.33 H new ATOM 0 HG3 GLN A 44 7.713 10.863 7.637 1.00 45.33 H new ATOM 0 HE21 GLN A 44 9.221 9.206 10.459 1.00 34.54 H new ATOM 0 HE22 GLN A 44 10.563 8.510 9.546 1.00 34.54 H new ATOM 724 N ASP A 45 7.547 14.084 8.695 1.00 73.52 N ATOM 725 CA ASP A 45 7.532 15.153 7.705 1.00 1.54 C ATOM 726 C ASP A 45 7.982 14.639 6.342 1.00 43.34 C ATOM 727 O ASP A 45 7.978 15.376 5.357 1.00 2.45 O ATOM 728 CB ASP A 45 8.434 16.304 8.153 1.00 25.21 C ATOM 729 CG ASP A 45 7.681 17.361 8.938 1.00 51.13 C ATOM 730 OD1 ASP A 45 7.543 17.200 10.168 1.00 31.23 O ATOM 731 OD2 ASP A 45 7.229 18.347 8.320 1.00 34.33 O ATOM 0 H ASP A 45 8.390 14.053 9.269 1.00 73.52 H new ATOM 0 HA ASP A 45 6.508 15.517 7.615 1.00 1.54 H new ATOM 0 HB2 ASP A 45 9.244 15.909 8.766 1.00 25.21 H new ATOM 0 HB3 ASP A 45 8.892 16.764 7.278 1.00 25.21 H new ATOM 737 N GLN A 46 8.372 13.369 6.294 1.00 62.25 N ATOM 738 CA GLN A 46 8.827 12.756 5.051 1.00 4.04 C ATOM 739 C GLN A 46 7.745 11.861 4.457 1.00 50.43 C ATOM 740 O GLN A 46 8.002 11.096 3.528 1.00 73.41 O ATOM 741 CB GLN A 46 10.101 11.945 5.295 1.00 64.35 C ATOM 742 CG GLN A 46 11.273 12.377 4.430 1.00 51.42 C ATOM 743 CD GLN A 46 12.591 11.792 4.898 1.00 10.31 C ATOM 744 OE1 GLN A 46 12.643 11.061 5.888 1.00 51.24 O ATOM 745 NE2 GLN A 46 13.668 12.113 4.189 1.00 53.33 N ATOM 0 H GLN A 46 8.382 12.745 7.101 1.00 62.25 H new ATOM 0 HA GLN A 46 9.043 13.553 4.340 1.00 4.04 H new ATOM 0 HB2 GLN A 46 10.383 12.034 6.344 1.00 64.35 H new ATOM 0 HB3 GLN A 46 9.892 10.891 5.109 1.00 64.35 H new ATOM 0 HG2 GLN A 46 11.090 12.073 3.399 1.00 51.42 H new ATOM 0 HG3 GLN A 46 11.341 13.465 4.434 1.00 51.42 H new ATOM 0 HE21 GLN A 46 13.580 12.722 3.375 1.00 53.33 H new ATOM 0 HE22 GLN A 46 14.583 11.750 4.458 1.00 53.33 H new ATOM 754 N GLU A 47 6.536 11.962 5.002 1.00 53.53 N ATOM 755 CA GLU A 47 5.416 11.159 4.524 1.00 74.02 C ATOM 756 C GLU A 47 4.366 12.037 3.850 1.00 54.14 C ATOM 757 O GLU A 47 4.460 13.266 3.872 1.00 74.44 O ATOM 758 CB GLU A 47 4.782 10.388 5.684 1.00 42.21 C ATOM 759 CG GLU A 47 4.694 8.890 5.442 1.00 65.21 C ATOM 760 CD GLU A 47 3.283 8.433 5.124 1.00 11.11 C ATOM 761 OE1 GLU A 47 2.460 9.282 4.726 1.00 21.25 O ATOM 762 OE2 GLU A 47 3.003 7.225 5.273 1.00 44.31 O ATOM 0 H GLU A 47 6.308 12.590 5.773 1.00 53.53 H new ATOM 0 HA GLU A 47 5.798 10.450 3.790 1.00 74.02 H new ATOM 0 HB2 GLU A 47 5.362 10.568 6.589 1.00 42.21 H new ATOM 0 HB3 GLU A 47 3.780 10.778 5.864 1.00 42.21 H new ATOM 0 HG2 GLU A 47 5.354 8.619 4.618 1.00 65.21 H new ATOM 0 HG3 GLU A 47 5.053 8.361 6.325 1.00 65.21 H new ATOM 769 N LEU A 48 3.367 11.399 3.250 1.00 43.45 N ATOM 770 CA LEU A 48 2.299 12.120 2.568 1.00 2.50 C ATOM 771 C LEU A 48 0.936 11.740 3.134 1.00 62.41 C ATOM 772 O LEU A 48 0.621 10.559 3.280 1.00 53.00 O ATOM 773 CB LEU A 48 2.338 11.830 1.066 1.00 51.41 C ATOM 774 CG LEU A 48 1.787 12.928 0.155 1.00 12.12 C ATOM 775 CD1 LEU A 48 2.677 13.106 -1.064 1.00 3.40 C ATOM 776 CD2 LEU A 48 0.361 12.603 -0.267 1.00 12.52 C ATOM 0 H LEU A 48 3.275 10.384 3.222 1.00 43.45 H new ATOM 0 HA LEU A 48 2.455 13.186 2.731 1.00 2.50 H new ATOM 0 HB2 LEU A 48 3.372 11.634 0.781 1.00 51.41 H new ATOM 0 HB3 LEU A 48 1.777 10.915 0.878 1.00 51.41 H new ATOM 0 HG LEU A 48 1.777 13.865 0.712 1.00 12.12 H new ATOM 0 HD11 LEU A 48 2.269 13.891 -1.701 1.00 3.40 H new ATOM 0 HD12 LEU A 48 3.681 13.383 -0.744 1.00 3.40 H new ATOM 0 HD13 LEU A 48 2.720 12.171 -1.623 1.00 3.40 H new ATOM 0 HD21 LEU A 48 -0.016 13.394 -0.915 1.00 12.52 H new ATOM 0 HD22 LEU A 48 0.348 11.656 -0.806 1.00 12.52 H new ATOM 0 HD23 LEU A 48 -0.272 12.526 0.617 1.00 12.52 H new ATOM 788 N ASP A 49 0.130 12.747 3.451 1.00 61.42 N ATOM 789 CA ASP A 49 -1.202 12.517 4.001 1.00 23.02 C ATOM 790 C ASP A 49 -2.173 12.084 2.907 1.00 43.13 C ATOM 791 O ASP A 49 -2.480 12.852 1.996 1.00 41.22 O ATOM 792 CB ASP A 49 -1.718 13.785 4.686 1.00 55.24 C ATOM 793 CG ASP A 49 -0.616 14.557 5.382 1.00 11.50 C ATOM 794 OD1 ASP A 49 -0.064 15.491 4.762 1.00 24.04 O ATOM 795 OD2 ASP A 49 -0.307 14.229 6.546 1.00 23.30 O ATOM 0 H ASP A 49 0.375 13.731 3.337 1.00 61.42 H new ATOM 0 HA ASP A 49 -1.133 11.717 4.738 1.00 23.02 H new ATOM 0 HB2 ASP A 49 -2.194 14.427 3.945 1.00 55.24 H new ATOM 0 HB3 ASP A 49 -2.484 13.515 5.413 1.00 55.24 H new ATOM 801 N ILE A 50 -2.651 10.849 3.005 1.00 53.41 N ATOM 802 CA ILE A 50 -3.587 10.313 2.024 1.00 33.00 C ATOM 803 C ILE A 50 -4.968 10.109 2.636 1.00 55.03 C ATOM 804 O ILE A 50 -5.094 9.731 3.802 1.00 51.20 O ATOM 805 CB ILE A 50 -3.091 8.973 1.446 1.00 30.35 C ATOM 806 CG1 ILE A 50 -2.619 8.052 2.571 1.00 73.22 C ATOM 807 CG2 ILE A 50 -1.973 9.210 0.443 1.00 24.21 C ATOM 808 CD1 ILE A 50 -3.136 6.635 2.450 1.00 30.15 C ATOM 0 H ILE A 50 -2.406 10.200 3.753 1.00 53.41 H new ATOM 0 HA ILE A 50 -3.653 11.045 1.219 1.00 33.00 H new ATOM 0 HB ILE A 50 -3.919 8.488 0.929 1.00 30.35 H new ATOM 0 HG12 ILE A 50 -1.529 8.033 2.581 1.00 73.22 H new ATOM 0 HG13 ILE A 50 -2.939 8.466 3.527 1.00 73.22 H new ATOM 0 HG21 ILE A 50 -1.634 8.254 0.044 1.00 24.21 H new ATOM 0 HG22 ILE A 50 -2.341 9.833 -0.372 1.00 24.21 H new ATOM 0 HG23 ILE A 50 -1.142 9.713 0.937 1.00 24.21 H new ATOM 0 HD11 ILE A 50 -2.761 6.039 3.282 1.00 30.15 H new ATOM 0 HD12 ILE A 50 -4.226 6.642 2.471 1.00 30.15 H new ATOM 0 HD13 ILE A 50 -2.794 6.202 1.510 1.00 30.15 H new ATOM 820 N LYS A 51 -6.004 10.361 1.843 1.00 62.32 N ATOM 821 CA LYS A 51 -7.379 10.202 2.304 1.00 4.30 C ATOM 822 C LYS A 51 -8.120 9.172 1.459 1.00 72.54 C ATOM 823 O LYS A 51 -7.698 8.842 0.351 1.00 75.13 O ATOM 824 CB LYS A 51 -8.113 11.544 2.253 1.00 1.44 C ATOM 825 CG LYS A 51 -9.280 11.635 3.220 1.00 25.35 C ATOM 826 CD LYS A 51 -9.297 12.969 3.948 1.00 25.24 C ATOM 827 CE LYS A 51 -8.855 12.821 5.395 1.00 42.23 C ATOM 828 NZ LYS A 51 -9.955 12.315 6.262 1.00 45.22 N ATOM 0 H LYS A 51 -5.918 10.677 0.877 1.00 62.32 H new ATOM 0 HA LYS A 51 -7.353 9.848 3.335 1.00 4.30 H new ATOM 0 HB2 LYS A 51 -7.406 12.344 2.473 1.00 1.44 H new ATOM 0 HB3 LYS A 51 -8.478 11.711 1.240 1.00 1.44 H new ATOM 0 HG2 LYS A 51 -10.216 11.504 2.676 1.00 25.35 H new ATOM 0 HG3 LYS A 51 -9.217 10.824 3.946 1.00 25.35 H new ATOM 0 HD2 LYS A 51 -8.640 13.672 3.436 1.00 25.24 H new ATOM 0 HD3 LYS A 51 -10.302 13.390 3.915 1.00 25.24 H new ATOM 0 HE2 LYS A 51 -8.007 12.138 5.448 1.00 42.23 H new ATOM 0 HE3 LYS A 51 -8.511 13.785 5.770 1.00 42.23 H new ATOM 0 HZ1 LYS A 51 -9.614 12.228 7.241 1.00 45.22 H new ATOM 0 HZ2 LYS A 51 -10.754 12.980 6.232 1.00 45.22 H new ATOM 0 HZ3 LYS A 51 -10.266 11.384 5.920 1.00 45.22 H new ATOM 842 N LYS A 52 -9.230 8.667 1.989 1.00 25.13 N ATOM 843 CA LYS A 52 -10.034 7.676 1.282 1.00 24.25 C ATOM 844 C LYS A 52 -10.270 8.098 -0.163 1.00 51.13 C ATOM 845 O LYS A 52 -10.651 9.235 -0.434 1.00 32.34 O ATOM 846 CB LYS A 52 -11.374 7.478 1.993 1.00 72.44 C ATOM 847 CG LYS A 52 -11.339 6.410 3.073 1.00 34.51 C ATOM 848 CD LYS A 52 -11.289 5.014 2.474 1.00 22.24 C ATOM 849 CE LYS A 52 -12.573 4.681 1.731 1.00 72.21 C ATOM 850 NZ LYS A 52 -12.643 3.239 1.365 1.00 52.41 N ATOM 0 H LYS A 52 -9.593 8.928 2.906 1.00 25.13 H new ATOM 0 HA LYS A 52 -9.487 6.733 1.281 1.00 24.25 H new ATOM 0 HB2 LYS A 52 -11.682 8.424 2.439 1.00 72.44 H new ATOM 0 HB3 LYS A 52 -12.131 7.212 1.255 1.00 72.44 H new ATOM 0 HG2 LYS A 52 -10.469 6.565 3.711 1.00 34.51 H new ATOM 0 HG3 LYS A 52 -12.220 6.504 3.707 1.00 34.51 H new ATOM 0 HD2 LYS A 52 -10.443 4.940 1.791 1.00 22.24 H new ATOM 0 HD3 LYS A 52 -11.125 4.283 3.266 1.00 22.24 H new ATOM 0 HE2 LYS A 52 -13.430 4.940 2.353 1.00 72.21 H new ATOM 0 HE3 LYS A 52 -12.639 5.289 0.828 1.00 72.21 H new ATOM 0 HZ1 LYS A 52 -13.533 3.052 0.860 1.00 52.41 H new ATOM 0 HZ2 LYS A 52 -11.839 2.997 0.751 1.00 52.41 H new ATOM 0 HZ3 LYS A 52 -12.606 2.660 2.228 1.00 52.41 H new ATOM 864 N ASN A 53 -10.042 7.171 -1.089 1.00 61.42 N ATOM 865 CA ASN A 53 -10.231 7.447 -2.509 1.00 34.51 C ATOM 866 C ASN A 53 -9.408 8.656 -2.942 1.00 13.41 C ATOM 867 O ASN A 53 -9.956 9.665 -3.386 1.00 62.35 O ATOM 868 CB ASN A 53 -11.712 7.690 -2.809 1.00 73.44 C ATOM 869 CG ASN A 53 -11.967 7.954 -4.281 1.00 31.41 C ATOM 870 OD1 ASN A 53 -12.403 9.041 -4.661 1.00 12.22 O ATOM 871 ND2 ASN A 53 -11.695 6.960 -5.117 1.00 43.05 N ATOM 0 H ASN A 53 -9.727 6.223 -0.882 1.00 61.42 H new ATOM 0 HA ASN A 53 -9.891 6.578 -3.072 1.00 34.51 H new ATOM 0 HB2 ASN A 53 -12.291 6.823 -2.492 1.00 73.44 H new ATOM 0 HB3 ASN A 53 -12.064 8.539 -2.224 1.00 73.44 H new ATOM 0 HD21 ASN A 53 -11.846 7.080 -6.119 1.00 43.05 H new ATOM 0 HD22 ASN A 53 -11.335 6.076 -4.758 1.00 43.05 H new ATOM 878 N GLU A 54 -8.090 8.546 -2.812 1.00 32.45 N ATOM 879 CA GLU A 54 -7.191 9.631 -3.190 1.00 74.32 C ATOM 880 C GLU A 54 -6.196 9.168 -4.249 1.00 13.24 C ATOM 881 O GLU A 54 -5.428 8.231 -4.027 1.00 22.34 O ATOM 882 CB GLU A 54 -6.441 10.153 -1.962 1.00 52.41 C ATOM 883 CG GLU A 54 -5.438 11.248 -2.283 1.00 63.31 C ATOM 884 CD GLU A 54 -5.695 12.523 -1.503 1.00 71.31 C ATOM 885 OE1 GLU A 54 -6.757 13.145 -1.720 1.00 75.42 O ATOM 886 OE2 GLU A 54 -4.837 12.898 -0.680 1.00 74.32 O ATOM 0 H GLU A 54 -7.621 7.717 -2.448 1.00 32.45 H new ATOM 0 HA GLU A 54 -7.792 10.438 -3.609 1.00 74.32 H new ATOM 0 HB2 GLU A 54 -7.163 10.534 -1.240 1.00 52.41 H new ATOM 0 HB3 GLU A 54 -5.920 9.323 -1.485 1.00 52.41 H new ATOM 0 HG2 GLU A 54 -4.432 10.889 -2.064 1.00 63.31 H new ATOM 0 HG3 GLU A 54 -5.473 11.466 -3.350 1.00 63.31 H new ATOM 893 N ARG A 55 -6.215 9.830 -5.401 1.00 52.02 N ATOM 894 CA ARG A 55 -5.317 9.485 -6.496 1.00 44.40 C ATOM 895 C ARG A 55 -4.202 10.519 -6.629 1.00 63.41 C ATOM 896 O ARG A 55 -4.409 11.708 -6.383 1.00 33.31 O ATOM 897 CB ARG A 55 -6.093 9.386 -7.810 1.00 34.30 C ATOM 898 CG ARG A 55 -7.151 10.466 -7.976 1.00 5.43 C ATOM 899 CD ARG A 55 -8.507 9.997 -7.478 1.00 12.15 C ATOM 900 NE ARG A 55 -9.256 9.291 -8.515 1.00 34.23 N ATOM 901 CZ ARG A 55 -10.558 9.034 -8.435 1.00 3.24 C ATOM 902 NH1 ARG A 55 -11.251 9.425 -7.374 1.00 55.12 N ATOM 903 NH2 ARG A 55 -11.168 8.387 -9.420 1.00 32.22 N ATOM 0 H ARG A 55 -6.843 10.609 -5.600 1.00 52.02 H new ATOM 0 HA ARG A 55 -4.869 8.517 -6.274 1.00 44.40 H new ATOM 0 HB2 ARG A 55 -5.391 9.446 -8.642 1.00 34.30 H new ATOM 0 HB3 ARG A 55 -6.572 8.408 -7.867 1.00 34.30 H new ATOM 0 HG2 ARG A 55 -6.850 11.359 -7.428 1.00 5.43 H new ATOM 0 HG3 ARG A 55 -7.225 10.746 -9.027 1.00 5.43 H new ATOM 0 HD2 ARG A 55 -8.371 9.340 -6.619 1.00 12.15 H new ATOM 0 HD3 ARG A 55 -9.084 10.856 -7.135 1.00 12.15 H new ATOM 0 HE ARG A 55 -8.753 8.978 -9.345 1.00 34.23 H new ATOM 0 HH11 ARG A 55 -10.785 9.924 -6.616 1.00 55.12 H new ATOM 0 HH12 ARG A 55 -12.250 9.226 -7.316 1.00 55.12 H new ATOM 0 HH21 ARG A 55 -10.638 8.087 -10.238 1.00 32.22 H new ATOM 0 HH22 ARG A 55 -12.167 8.190 -9.359 1.00 32.22 H new ATOM 917 N LEU A 56 -3.018 10.058 -7.017 1.00 42.04 N ATOM 918 CA LEU A 56 -1.869 10.941 -7.184 1.00 20.33 C ATOM 919 C LEU A 56 -0.981 10.471 -8.330 1.00 21.21 C ATOM 920 O LEU A 56 -1.239 9.435 -8.944 1.00 11.15 O ATOM 921 CB LEU A 56 -1.058 11.004 -5.887 1.00 72.24 C ATOM 922 CG LEU A 56 -1.531 12.021 -4.848 1.00 45.13 C ATOM 923 CD1 LEU A 56 -2.711 11.472 -4.063 1.00 20.43 C ATOM 924 CD2 LEU A 56 -0.392 12.396 -3.911 1.00 51.50 C ATOM 0 H LEU A 56 -2.828 9.077 -7.222 1.00 42.04 H new ATOM 0 HA LEU A 56 -2.240 11.938 -7.424 1.00 20.33 H new ATOM 0 HB2 LEU A 56 -1.067 10.015 -5.428 1.00 72.24 H new ATOM 0 HB3 LEU A 56 -0.022 11.229 -6.140 1.00 72.24 H new ATOM 0 HG LEU A 56 -1.856 12.921 -5.370 1.00 45.13 H new ATOM 0 HD11 LEU A 56 -3.034 12.210 -3.328 1.00 20.43 H new ATOM 0 HD12 LEU A 56 -3.533 11.256 -4.745 1.00 20.43 H new ATOM 0 HD13 LEU A 56 -2.413 10.557 -3.552 1.00 20.43 H new ATOM 0 HD21 LEU A 56 -0.747 13.121 -3.178 1.00 51.50 H new ATOM 0 HD22 LEU A 56 -0.036 11.504 -3.396 1.00 51.50 H new ATOM 0 HD23 LEU A 56 0.424 12.832 -4.487 1.00 51.50 H new ATOM 936 N TRP A 57 0.068 11.236 -8.612 1.00 64.23 N ATOM 937 CA TRP A 57 0.996 10.896 -9.684 1.00 70.32 C ATOM 938 C TRP A 57 2.143 10.037 -9.160 1.00 34.21 C ATOM 939 O TRP A 57 2.959 10.496 -8.360 1.00 70.12 O ATOM 940 CB TRP A 57 1.549 12.167 -10.330 1.00 3.40 C ATOM 941 CG TRP A 57 0.611 12.788 -11.319 1.00 33.12 C ATOM 942 CD1 TRP A 57 0.777 12.864 -12.672 1.00 32.24 C ATOM 943 CD2 TRP A 57 -0.641 13.422 -11.031 1.00 40.33 C ATOM 944 NE1 TRP A 57 -0.294 13.506 -13.243 1.00 34.01 N ATOM 945 CE2 TRP A 57 -1.179 13.858 -12.258 1.00 3.23 C ATOM 946 CE3 TRP A 57 -1.360 13.662 -9.856 1.00 1.12 C ATOM 947 CZ2 TRP A 57 -2.400 14.522 -12.341 1.00 73.23 C ATOM 948 CZ3 TRP A 57 -2.572 14.320 -9.941 1.00 23.34 C ATOM 949 CH2 TRP A 57 -3.083 14.743 -11.176 1.00 23.40 C ATOM 0 H TRP A 57 0.297 12.096 -8.113 1.00 64.23 H new ATOM 0 HA TRP A 57 0.451 10.323 -10.434 1.00 70.32 H new ATOM 0 HB2 TRP A 57 1.775 12.893 -9.550 1.00 3.40 H new ATOM 0 HB3 TRP A 57 2.489 11.932 -10.830 1.00 3.40 H new ATOM 0 HD1 TRP A 57 1.627 12.476 -13.214 1.00 32.24 H new ATOM 0 HE1 TRP A 57 -0.412 13.691 -14.239 1.00 34.01 H new ATOM 0 HE3 TRP A 57 -0.975 13.339 -8.900 1.00 1.12 H new ATOM 0 HZ2 TRP A 57 -2.794 14.851 -13.291 1.00 73.23 H new ATOM 0 HZ3 TRP A 57 -3.136 14.512 -9.040 1.00 23.34 H new ATOM 0 HH2 TRP A 57 -4.034 15.253 -11.209 1.00 23.40 H new ATOM 960 N LEU A 58 2.196 8.790 -9.613 1.00 63.34 N ATOM 961 CA LEU A 58 3.244 7.867 -9.190 1.00 62.40 C ATOM 962 C LEU A 58 4.608 8.324 -9.692 1.00 64.23 C ATOM 963 O LEU A 58 4.806 8.526 -10.892 1.00 63.42 O ATOM 964 CB LEU A 58 2.945 6.457 -9.703 1.00 52.23 C ATOM 965 CG LEU A 58 2.411 5.465 -8.668 1.00 61.02 C ATOM 966 CD1 LEU A 58 2.168 4.107 -9.307 1.00 70.22 C ATOM 967 CD2 LEU A 58 3.379 5.342 -7.499 1.00 75.12 C ATOM 0 H LEU A 58 1.526 8.394 -10.273 1.00 63.34 H new ATOM 0 HA LEU A 58 3.265 7.855 -8.100 1.00 62.40 H new ATOM 0 HB2 LEU A 58 2.219 6.533 -10.512 1.00 52.23 H new ATOM 0 HB3 LEU A 58 3.859 6.047 -10.132 1.00 52.23 H new ATOM 0 HG LEU A 58 1.460 5.840 -8.289 1.00 61.02 H new ATOM 0 HD11 LEU A 58 1.788 3.414 -8.556 1.00 70.22 H new ATOM 0 HD12 LEU A 58 1.438 4.208 -10.110 1.00 70.22 H new ATOM 0 HD13 LEU A 58 3.104 3.724 -9.714 1.00 70.22 H new ATOM 0 HD21 LEU A 58 2.984 4.632 -6.772 1.00 75.12 H new ATOM 0 HD22 LEU A 58 4.345 4.990 -7.862 1.00 75.12 H new ATOM 0 HD23 LEU A 58 3.503 6.316 -7.025 1.00 75.12 H new ATOM 979 N LEU A 59 5.550 8.485 -8.768 1.00 30.12 N ATOM 980 CA LEU A 59 6.898 8.918 -9.116 1.00 51.32 C ATOM 981 C LEU A 59 7.866 7.738 -9.116 1.00 32.23 C ATOM 982 O LEU A 59 8.364 7.332 -10.165 1.00 42.34 O ATOM 983 CB LEU A 59 7.382 9.988 -8.135 1.00 43.31 C ATOM 984 CG LEU A 59 6.356 11.051 -7.743 1.00 35.25 C ATOM 985 CD1 LEU A 59 7.024 12.177 -6.970 1.00 1.40 C ATOM 986 CD2 LEU A 59 5.651 11.593 -8.978 1.00 30.13 C ATOM 0 H LEU A 59 5.404 8.322 -7.772 1.00 30.12 H new ATOM 0 HA LEU A 59 6.868 9.341 -10.120 1.00 51.32 H new ATOM 0 HB2 LEU A 59 7.726 9.492 -7.228 1.00 43.31 H new ATOM 0 HB3 LEU A 59 8.246 10.489 -8.572 1.00 43.31 H new ATOM 0 HG LEU A 59 5.609 10.588 -7.098 1.00 35.25 H new ATOM 0 HD11 LEU A 59 6.278 12.925 -6.699 1.00 1.40 H new ATOM 0 HD12 LEU A 59 7.481 11.776 -6.065 1.00 1.40 H new ATOM 0 HD13 LEU A 59 7.792 12.639 -7.591 1.00 1.40 H new ATOM 0 HD21 LEU A 59 4.924 12.349 -8.680 1.00 30.13 H new ATOM 0 HD22 LEU A 59 6.385 12.040 -9.649 1.00 30.13 H new ATOM 0 HD23 LEU A 59 5.139 10.779 -9.491 1.00 30.13 H new ATOM 998 N ASP A 60 8.123 7.191 -7.934 1.00 11.41 N ATOM 999 CA ASP A 60 9.027 6.054 -7.798 1.00 24.43 C ATOM 1000 C ASP A 60 8.427 4.989 -6.884 1.00 44.44 C ATOM 1001 O ASP A 60 8.382 5.157 -5.665 1.00 54.22 O ATOM 1002 CB ASP A 60 10.378 6.514 -7.248 1.00 34.03 C ATOM 1003 CG ASP A 60 11.356 5.367 -7.084 1.00 42.13 C ATOM 1004 OD1 ASP A 60 11.691 5.032 -5.928 1.00 12.35 O ATOM 1005 OD2 ASP A 60 11.787 4.804 -8.113 1.00 3.33 O ATOM 0 H ASP A 60 7.719 7.516 -7.056 1.00 11.41 H new ATOM 0 HA ASP A 60 9.175 5.617 -8.786 1.00 24.43 H new ATOM 0 HB2 ASP A 60 10.806 7.259 -7.919 1.00 34.03 H new ATOM 0 HB3 ASP A 60 10.228 7.001 -6.284 1.00 34.03 H new ATOM 1011 N ASP A 61 7.968 3.896 -7.482 1.00 63.45 N ATOM 1012 CA ASP A 61 7.371 2.803 -6.723 1.00 72.23 C ATOM 1013 C ASP A 61 8.151 1.508 -6.929 1.00 14.20 C ATOM 1014 O ASP A 61 7.721 0.623 -7.668 1.00 62.10 O ATOM 1015 CB ASP A 61 5.912 2.603 -7.135 1.00 14.15 C ATOM 1016 CG ASP A 61 5.662 2.980 -8.583 1.00 45.24 C ATOM 1017 OD1 ASP A 61 5.496 2.062 -9.414 1.00 24.43 O ATOM 1018 OD2 ASP A 61 5.634 4.191 -8.885 1.00 64.23 O ATOM 0 H ASP A 61 7.998 3.743 -8.490 1.00 63.45 H new ATOM 0 HA ASP A 61 7.409 3.066 -5.666 1.00 72.23 H new ATOM 0 HB2 ASP A 61 5.634 1.560 -6.981 1.00 14.15 H new ATOM 0 HB3 ASP A 61 5.270 3.203 -6.490 1.00 14.15 H new ATOM 1024 N SER A 62 9.302 1.405 -6.272 1.00 43.21 N ATOM 1025 CA SER A 62 10.145 0.221 -6.387 1.00 20.42 C ATOM 1026 C SER A 62 10.154 -0.568 -5.081 1.00 23.13 C ATOM 1027 O SER A 62 9.949 -1.782 -5.073 1.00 74.30 O ATOM 1028 CB SER A 62 11.572 0.621 -6.765 1.00 62.31 C ATOM 1029 OG SER A 62 11.872 0.242 -8.097 1.00 1.33 O ATOM 0 H SER A 62 9.672 2.128 -5.654 1.00 43.21 H new ATOM 0 HA SER A 62 9.733 -0.414 -7.172 1.00 20.42 H new ATOM 0 HB2 SER A 62 11.692 1.699 -6.654 1.00 62.31 H new ATOM 0 HB3 SER A 62 12.278 0.150 -6.082 1.00 62.31 H new ATOM 0 HG SER A 62 12.789 0.510 -8.315 1.00 1.33 H new ATOM 1035 N LYS A 63 10.395 0.131 -3.977 1.00 34.41 N ATOM 1036 CA LYS A 63 10.430 -0.501 -2.662 1.00 43.24 C ATOM 1037 C LYS A 63 9.028 -0.607 -2.073 1.00 20.51 C ATOM 1038 O LYS A 63 8.055 -0.149 -2.671 1.00 33.43 O ATOM 1039 CB LYS A 63 11.335 0.291 -1.717 1.00 54.41 C ATOM 1040 CG LYS A 63 12.670 -0.383 -1.445 1.00 14.43 C ATOM 1041 CD LYS A 63 13.524 0.436 -0.493 1.00 71.35 C ATOM 1042 CE LYS A 63 15.006 0.164 -0.700 1.00 1.02 C ATOM 1043 NZ LYS A 63 15.850 0.950 0.243 1.00 44.20 N ATOM 0 H LYS A 63 10.569 1.136 -3.966 1.00 34.41 H new ATOM 0 HA LYS A 63 10.832 -1.507 -2.780 1.00 43.24 H new ATOM 0 HB2 LYS A 63 11.516 1.278 -2.143 1.00 54.41 H new ATOM 0 HB3 LYS A 63 10.815 0.443 -0.771 1.00 54.41 H new ATOM 0 HG2 LYS A 63 12.499 -1.373 -1.022 1.00 14.43 H new ATOM 0 HG3 LYS A 63 13.205 -0.525 -2.384 1.00 14.43 H new ATOM 0 HD2 LYS A 63 13.323 1.497 -0.643 1.00 71.35 H new ATOM 0 HD3 LYS A 63 13.250 0.202 0.536 1.00 71.35 H new ATOM 0 HE2 LYS A 63 15.203 -0.899 -0.564 1.00 1.02 H new ATOM 0 HE3 LYS A 63 15.281 0.410 -1.726 1.00 1.02 H new ATOM 0 HZ1 LYS A 63 16.853 0.737 0.071 1.00 44.20 H new ATOM 0 HZ2 LYS A 63 15.681 1.966 0.096 1.00 44.20 H new ATOM 0 HZ3 LYS A 63 15.606 0.696 1.222 1.00 44.20 H new ATOM 1057 N THR A 64 8.932 -1.211 -0.890 1.00 43.12 N ATOM 1058 CA THR A 64 7.650 -1.376 -0.219 1.00 52.01 C ATOM 1059 C THR A 64 6.869 -0.067 -0.195 1.00 11.02 C ATOM 1060 O THR A 64 5.644 -0.062 -0.312 1.00 2.52 O ATOM 1061 CB THR A 64 7.833 -1.878 1.225 1.00 70.50 C ATOM 1062 OG1 THR A 64 6.637 -1.650 1.979 1.00 1.23 O ATOM 1063 CG2 THR A 64 9.004 -1.175 1.898 1.00 14.22 C ATOM 0 H THR A 64 9.728 -1.593 -0.379 1.00 43.12 H new ATOM 0 HA THR A 64 7.090 -2.119 -0.786 1.00 52.01 H new ATOM 0 HB THR A 64 8.042 -2.947 1.190 1.00 70.50 H new ATOM 0 HG1 THR A 64 5.931 -2.251 1.661 1.00 1.23 H new ATOM 0 HG21 THR A 64 9.114 -1.546 2.917 1.00 14.22 H new ATOM 0 HG22 THR A 64 9.918 -1.374 1.339 1.00 14.22 H new ATOM 0 HG23 THR A 64 8.819 -0.101 1.921 1.00 14.22 H new ATOM 1071 N TRP A 65 7.586 1.041 -0.043 1.00 74.41 N ATOM 1072 CA TRP A 65 6.959 2.357 -0.005 1.00 62.32 C ATOM 1073 C TRP A 65 7.024 3.032 -1.370 1.00 54.41 C ATOM 1074 O TRP A 65 8.042 2.960 -2.059 1.00 54.52 O ATOM 1075 CB TRP A 65 7.639 3.238 1.045 1.00 32.22 C ATOM 1076 CG TRP A 65 7.148 2.987 2.439 1.00 71.34 C ATOM 1077 CD1 TRP A 65 7.318 1.848 3.174 1.00 21.42 C ATOM 1078 CD2 TRP A 65 6.407 3.892 3.264 1.00 75.22 C ATOM 1079 NE1 TRP A 65 6.727 1.992 4.407 1.00 53.05 N ATOM 1080 CE2 TRP A 65 6.161 3.237 4.486 1.00 64.24 C ATOM 1081 CE3 TRP A 65 5.928 5.193 3.088 1.00 32.44 C ATOM 1082 CZ2 TRP A 65 5.457 3.840 5.525 1.00 31.03 C ATOM 1083 CZ3 TRP A 65 5.228 5.790 4.121 1.00 63.25 C ATOM 1084 CH2 TRP A 65 4.999 5.114 5.327 1.00 61.12 C ATOM 0 H TRP A 65 8.601 1.054 0.056 1.00 74.41 H new ATOM 0 HA TRP A 65 5.911 2.224 0.264 1.00 62.32 H new ATOM 0 HB2 TRP A 65 8.715 3.068 1.010 1.00 32.22 H new ATOM 0 HB3 TRP A 65 7.474 4.285 0.792 1.00 32.22 H new ATOM 0 HD1 TRP A 65 7.840 0.965 2.836 1.00 21.42 H new ATOM 0 HE1 TRP A 65 6.712 1.286 5.143 1.00 53.05 H new ATOM 0 HE3 TRP A 65 6.101 5.722 2.163 1.00 32.44 H new ATOM 0 HZ2 TRP A 65 5.279 3.320 6.455 1.00 31.03 H new ATOM 0 HZ3 TRP A 65 4.851 6.794 3.996 1.00 63.25 H new ATOM 0 HH2 TRP A 65 4.450 5.608 6.115 1.00 61.12 H new ATOM 1095 N TRP A 66 5.934 3.685 -1.755 1.00 24.12 N ATOM 1096 CA TRP A 66 5.869 4.373 -3.039 1.00 40.02 C ATOM 1097 C TRP A 66 5.813 5.884 -2.846 1.00 73.22 C ATOM 1098 O TRP A 66 5.363 6.370 -1.808 1.00 73.12 O ATOM 1099 CB TRP A 66 4.647 3.901 -3.832 1.00 1.15 C ATOM 1100 CG TRP A 66 4.666 2.434 -4.134 1.00 13.33 C ATOM 1101 CD1 TRP A 66 5.706 1.569 -3.940 1.00 24.24 C ATOM 1102 CD2 TRP A 66 3.596 1.659 -4.687 1.00 23.45 C ATOM 1103 NE1 TRP A 66 5.346 0.305 -4.338 1.00 3.44 N ATOM 1104 CE2 TRP A 66 4.056 0.334 -4.799 1.00 61.12 C ATOM 1105 CE3 TRP A 66 2.292 1.957 -5.095 1.00 24.13 C ATOM 1106 CZ2 TRP A 66 3.259 -0.691 -5.305 1.00 30.54 C ATOM 1107 CZ3 TRP A 66 1.503 0.940 -5.595 1.00 54.21 C ATOM 1108 CH2 TRP A 66 1.987 -0.372 -5.697 1.00 5.15 C ATOM 0 H TRP A 66 5.083 3.753 -1.197 1.00 24.12 H new ATOM 0 HA TRP A 66 6.773 4.131 -3.599 1.00 40.02 H new ATOM 0 HB2 TRP A 66 3.744 4.137 -3.269 1.00 1.15 H new ATOM 0 HB3 TRP A 66 4.593 4.457 -4.768 1.00 1.15 H new ATOM 0 HD1 TRP A 66 6.669 1.840 -3.533 1.00 24.24 H new ATOM 0 HE1 TRP A 66 5.942 -0.522 -4.297 1.00 3.44 H new ATOM 0 HE3 TRP A 66 1.909 2.964 -5.020 1.00 24.13 H new ATOM 0 HZ2 TRP A 66 3.632 -1.701 -5.385 1.00 30.54 H new ATOM 0 HZ3 TRP A 66 0.495 1.159 -5.913 1.00 54.21 H new ATOM 0 HH2 TRP A 66 1.344 -1.145 -6.092 1.00 5.15 H new ATOM 1119 N ARG A 67 6.272 6.623 -3.851 1.00 52.52 N ATOM 1120 CA ARG A 67 6.275 8.080 -3.790 1.00 51.43 C ATOM 1121 C ARG A 67 5.391 8.671 -4.884 1.00 54.21 C ATOM 1122 O ARG A 67 5.662 8.504 -6.073 1.00 52.41 O ATOM 1123 CB ARG A 67 7.701 8.614 -3.928 1.00 53.42 C ATOM 1124 CG ARG A 67 7.767 10.075 -4.345 1.00 71.44 C ATOM 1125 CD ARG A 67 9.170 10.637 -4.184 1.00 23.42 C ATOM 1126 NE ARG A 67 9.598 11.389 -5.359 1.00 15.15 N ATOM 1127 CZ ARG A 67 10.107 10.825 -6.449 1.00 31.54 C ATOM 1128 NH1 ARG A 67 10.251 9.508 -6.510 1.00 24.21 N ATOM 1129 NH2 ARG A 67 10.473 11.578 -7.478 1.00 73.11 N ATOM 0 H ARG A 67 6.647 6.237 -4.717 1.00 52.52 H new ATOM 0 HA ARG A 67 5.874 8.379 -2.821 1.00 51.43 H new ATOM 0 HB2 ARG A 67 8.219 8.493 -2.977 1.00 53.42 H new ATOM 0 HB3 ARG A 67 8.236 8.011 -4.661 1.00 53.42 H new ATOM 0 HG2 ARG A 67 7.452 10.173 -5.384 1.00 71.44 H new ATOM 0 HG3 ARG A 67 7.069 10.658 -3.744 1.00 71.44 H new ATOM 0 HD2 ARG A 67 9.202 11.285 -3.308 1.00 23.42 H new ATOM 0 HD3 ARG A 67 9.869 9.820 -4.002 1.00 23.42 H new ATOM 0 HE ARG A 67 9.501 12.404 -5.343 1.00 15.15 H new ATOM 0 HH11 ARG A 67 9.971 8.927 -5.720 1.00 24.21 H new ATOM 0 HH12 ARG A 67 10.642 9.076 -7.347 1.00 24.21 H new ATOM 0 HH21 ARG A 67 10.364 12.591 -7.433 1.00 73.11 H new ATOM 0 HH22 ARG A 67 10.864 11.144 -8.314 1.00 73.11 H new ATOM 1143 N VAL A 68 4.331 9.361 -4.473 1.00 41.10 N ATOM 1144 CA VAL A 68 3.408 9.978 -5.417 1.00 4.34 C ATOM 1145 C VAL A 68 3.345 11.489 -5.219 1.00 45.15 C ATOM 1146 O VAL A 68 3.837 12.014 -4.219 1.00 12.23 O ATOM 1147 CB VAL A 68 1.990 9.395 -5.277 1.00 73.33 C ATOM 1148 CG1 VAL A 68 1.992 7.906 -5.589 1.00 32.55 C ATOM 1149 CG2 VAL A 68 1.442 9.655 -3.883 1.00 35.04 C ATOM 0 H VAL A 68 4.091 9.506 -3.492 1.00 41.10 H new ATOM 0 HA VAL A 68 3.786 9.761 -6.416 1.00 4.34 H new ATOM 0 HB VAL A 68 1.339 9.892 -5.996 1.00 73.33 H new ATOM 0 HG11 VAL A 68 0.981 7.511 -5.485 1.00 32.55 H new ATOM 0 HG12 VAL A 68 2.340 7.749 -6.610 1.00 32.55 H new ATOM 0 HG13 VAL A 68 2.656 7.390 -4.896 1.00 32.55 H new ATOM 0 HG21 VAL A 68 0.439 9.236 -3.802 1.00 35.04 H new ATOM 0 HG22 VAL A 68 2.091 9.187 -3.144 1.00 35.04 H new ATOM 0 HG23 VAL A 68 1.402 10.729 -3.702 1.00 35.04 H new ATOM 1159 N ARG A 69 2.739 12.182 -6.176 1.00 63.25 N ATOM 1160 CA ARG A 69 2.613 13.632 -6.107 1.00 73.40 C ATOM 1161 C ARG A 69 1.158 14.060 -6.271 1.00 31.12 C ATOM 1162 O ARG A 69 0.426 13.506 -7.091 1.00 1.04 O ATOM 1163 CB ARG A 69 3.475 14.292 -7.186 1.00 52.11 C ATOM 1164 CG ARG A 69 3.321 15.803 -7.247 1.00 2.23 C ATOM 1165 CD ARG A 69 2.694 16.246 -8.560 1.00 12.20 C ATOM 1166 NE ARG A 69 3.682 16.361 -9.627 1.00 44.54 N ATOM 1167 CZ ARG A 69 3.392 16.770 -10.857 1.00 14.24 C ATOM 1168 NH1 ARG A 69 2.148 17.105 -11.172 1.00 0.24 N ATOM 1169 NH2 ARG A 69 4.348 16.849 -11.775 1.00 55.24 N ATOM 0 H ARG A 69 2.327 11.762 -7.009 1.00 63.25 H new ATOM 0 HA ARG A 69 2.960 13.955 -5.126 1.00 73.40 H new ATOM 0 HB2 ARG A 69 4.522 14.049 -7.002 1.00 52.11 H new ATOM 0 HB3 ARG A 69 3.215 13.869 -8.156 1.00 52.11 H new ATOM 0 HG2 ARG A 69 2.703 16.141 -6.415 1.00 2.23 H new ATOM 0 HG3 ARG A 69 4.297 16.274 -7.131 1.00 2.23 H new ATOM 0 HD2 ARG A 69 1.925 15.531 -8.854 1.00 12.20 H new ATOM 0 HD3 ARG A 69 2.199 17.207 -8.419 1.00 12.20 H new ATOM 0 HE ARG A 69 4.649 16.114 -9.417 1.00 44.54 H new ATOM 0 HH11 ARG A 69 1.411 17.049 -10.469 1.00 0.24 H new ATOM 0 HH12 ARG A 69 1.928 17.419 -12.117 1.00 0.24 H new ATOM 0 HH21 ARG A 69 5.307 16.595 -11.536 1.00 55.24 H new ATOM 0 HH22 ARG A 69 4.124 17.163 -12.719 1.00 55.24 H new ATOM 1183 N ASN A 70 0.745 15.049 -5.485 1.00 42.41 N ATOM 1184 CA ASN A 70 -0.622 15.551 -5.543 1.00 54.33 C ATOM 1185 C ASN A 70 -0.747 16.678 -6.565 1.00 20.32 C ATOM 1186 O ASN A 70 0.216 17.012 -7.256 1.00 75.41 O ATOM 1187 CB ASN A 70 -1.064 16.047 -4.165 1.00 13.33 C ATOM 1188 CG ASN A 70 0.011 16.863 -3.471 1.00 73.04 C ATOM 1189 OD1 ASN A 70 0.900 17.415 -4.119 1.00 72.34 O ATOM 1190 ND2 ASN A 70 -0.068 16.941 -2.149 1.00 30.04 N ATOM 0 H ASN A 70 1.338 15.518 -4.800 1.00 42.41 H new ATOM 0 HA ASN A 70 -1.270 14.731 -5.853 1.00 54.33 H new ATOM 0 HB2 ASN A 70 -1.964 16.653 -4.271 1.00 13.33 H new ATOM 0 HB3 ASN A 70 -1.327 15.192 -3.541 1.00 13.33 H new ATOM 0 HD21 ASN A 70 0.627 17.476 -1.627 1.00 30.04 H new ATOM 0 HD22 ASN A 70 -0.823 16.466 -1.654 1.00 30.04 H new ATOM 1197 N ALA A 71 -1.939 17.259 -6.654 1.00 51.44 N ATOM 1198 CA ALA A 71 -2.189 18.349 -7.589 1.00 4.01 C ATOM 1199 C ALA A 71 -1.494 19.629 -7.140 1.00 24.40 C ATOM 1200 O ALA A 71 -1.440 20.612 -7.878 1.00 71.14 O ATOM 1201 CB ALA A 71 -3.685 18.583 -7.741 1.00 5.33 C ATOM 0 H ALA A 71 -2.746 16.993 -6.090 1.00 51.44 H new ATOM 0 HA ALA A 71 -1.777 18.064 -8.557 1.00 4.01 H new ATOM 0 HB1 ALA A 71 -3.856 19.400 -8.442 1.00 5.33 H new ATOM 0 HB2 ALA A 71 -4.159 17.676 -8.117 1.00 5.33 H new ATOM 0 HB3 ALA A 71 -4.113 18.841 -6.772 1.00 5.33 H new ATOM 1207 N ALA A 72 -0.962 19.610 -5.921 1.00 11.05 N ATOM 1208 CA ALA A 72 -0.269 20.770 -5.372 1.00 34.40 C ATOM 1209 C ALA A 72 1.213 20.744 -5.732 1.00 41.13 C ATOM 1210 O ALA A 72 2.004 21.521 -5.198 1.00 60.12 O ATOM 1211 CB ALA A 72 -0.447 20.824 -3.862 1.00 11.42 C ATOM 0 H ALA A 72 -0.998 18.805 -5.296 1.00 11.05 H new ATOM 0 HA ALA A 72 -0.707 21.667 -5.811 1.00 34.40 H new ATOM 0 HB1 ALA A 72 0.075 21.695 -3.465 1.00 11.42 H new ATOM 0 HB2 ALA A 72 -1.508 20.897 -3.623 1.00 11.42 H new ATOM 0 HB3 ALA A 72 -0.036 19.919 -3.415 1.00 11.42 H new ATOM 1217 N ASN A 73 1.582 19.845 -6.638 1.00 44.21 N ATOM 1218 CA ASN A 73 2.970 19.717 -7.068 1.00 54.21 C ATOM 1219 C ASN A 73 3.860 19.281 -5.907 1.00 41.44 C ATOM 1220 O ASN A 73 5.085 19.387 -5.978 1.00 73.15 O ATOM 1221 CB ASN A 73 3.473 21.045 -7.639 1.00 52.42 C ATOM 1222 CG ASN A 73 2.379 21.820 -8.349 1.00 64.45 C ATOM 1223 OD1 ASN A 73 1.826 22.774 -7.804 1.00 3.03 O ATOM 1224 ND2 ASN A 73 2.063 21.410 -9.572 1.00 54.31 N ATOM 0 H ASN A 73 0.939 19.194 -7.089 1.00 44.21 H new ATOM 0 HA ASN A 73 3.015 18.954 -7.845 1.00 54.21 H new ATOM 0 HB2 ASN A 73 3.880 21.654 -6.832 1.00 52.42 H new ATOM 0 HB3 ASN A 73 4.289 20.852 -8.336 1.00 52.42 H new ATOM 0 HD21 ASN A 73 1.335 21.892 -10.099 1.00 54.31 H new ATOM 0 HD22 ASN A 73 2.549 20.613 -9.984 1.00 54.31 H new ATOM 1231 N ARG A 74 3.236 18.790 -4.842 1.00 51.33 N ATOM 1232 CA ARG A 74 3.971 18.338 -3.667 1.00 1.24 C ATOM 1233 C ARG A 74 4.258 16.841 -3.747 1.00 3.22 C ATOM 1234 O ARG A 74 3.457 16.072 -4.282 1.00 22.32 O ATOM 1235 CB ARG A 74 3.182 18.649 -2.394 1.00 53.40 C ATOM 1236 CG ARG A 74 4.023 18.600 -1.129 1.00 42.31 C ATOM 1237 CD ARG A 74 3.658 19.727 -0.174 1.00 40.54 C ATOM 1238 NE ARG A 74 3.891 19.359 1.220 1.00 71.15 N ATOM 1239 CZ ARG A 74 5.101 19.172 1.739 1.00 54.40 C ATOM 1240 NH1 ARG A 74 6.180 19.318 0.982 1.00 72.41 N ATOM 1241 NH2 ARG A 74 5.231 18.839 3.016 1.00 21.10 N ATOM 0 H ARG A 74 2.223 18.695 -4.768 1.00 51.33 H new ATOM 0 HA ARG A 74 4.921 18.872 -3.637 1.00 1.24 H new ATOM 0 HB2 ARG A 74 2.736 19.640 -2.486 1.00 53.40 H new ATOM 0 HB3 ARG A 74 2.361 17.938 -2.302 1.00 53.40 H new ATOM 0 HG2 ARG A 74 3.880 17.640 -0.633 1.00 42.31 H new ATOM 0 HG3 ARG A 74 5.079 18.670 -1.390 1.00 42.31 H new ATOM 0 HD2 ARG A 74 4.244 20.613 -0.418 1.00 40.54 H new ATOM 0 HD3 ARG A 74 2.609 19.991 -0.309 1.00 40.54 H new ATOM 0 HE ARG A 74 3.081 19.239 1.829 1.00 71.15 H new ATOM 0 HH11 ARG A 74 6.083 19.574 -0.000 1.00 72.41 H new ATOM 0 HH12 ARG A 74 7.107 19.174 1.382 1.00 72.41 H new ATOM 0 HH21 ARG A 74 4.403 18.726 3.601 1.00 21.10 H new ATOM 0 HH22 ARG A 74 6.159 18.696 3.414 1.00 21.10 H new ATOM 1255 N THR A 75 5.405 16.433 -3.212 1.00 53.31 N ATOM 1256 CA THR A 75 5.798 15.030 -3.226 1.00 21.54 C ATOM 1257 C THR A 75 5.942 14.487 -1.808 1.00 53.20 C ATOM 1258 O THR A 75 6.280 15.223 -0.882 1.00 43.14 O ATOM 1259 CB THR A 75 7.125 14.825 -3.979 1.00 41.43 C ATOM 1260 OG1 THR A 75 8.106 15.756 -3.506 1.00 44.31 O ATOM 1261 CG2 THR A 75 6.930 15.003 -5.478 1.00 1.24 C ATOM 0 H THR A 75 6.078 17.055 -2.764 1.00 53.31 H new ATOM 0 HA THR A 75 5.008 14.485 -3.744 1.00 21.54 H new ATOM 0 HB THR A 75 7.470 13.808 -3.792 1.00 41.43 H new ATOM 0 HG1 THR A 75 8.948 15.618 -3.989 1.00 44.31 H new ATOM 0 HG21 THR A 75 7.881 14.853 -5.989 1.00 1.24 H new ATOM 0 HG22 THR A 75 6.205 14.274 -5.840 1.00 1.24 H new ATOM 0 HG23 THR A 75 6.564 16.010 -5.680 1.00 1.24 H new ATOM 1269 N GLY A 76 5.683 13.193 -1.646 1.00 15.44 N ATOM 1270 CA GLY A 76 5.790 12.573 -0.338 1.00 23.41 C ATOM 1271 C GLY A 76 5.926 11.066 -0.420 1.00 14.25 C ATOM 1272 O GLY A 76 6.124 10.512 -1.502 1.00 24.32 O ATOM 0 H GLY A 76 5.401 12.563 -2.397 1.00 15.44 H new ATOM 0 HA2 GLY A 76 6.653 12.984 0.186 1.00 23.41 H new ATOM 0 HA3 GLY A 76 4.909 12.824 0.253 1.00 23.41 H new ATOM 1276 N TYR A 77 5.821 10.401 0.725 1.00 13.51 N ATOM 1277 CA TYR A 77 5.937 8.949 0.778 1.00 73.12 C ATOM 1278 C TYR A 77 4.680 8.323 1.374 1.00 32.42 C ATOM 1279 O TYR A 77 3.987 8.942 2.181 1.00 23.25 O ATOM 1280 CB TYR A 77 7.162 8.544 1.601 1.00 22.44 C ATOM 1281 CG TYR A 77 8.476 8.804 0.900 1.00 53.42 C ATOM 1282 CD1 TYR A 77 8.922 10.100 0.675 1.00 62.40 C ATOM 1283 CD2 TYR A 77 9.271 7.751 0.462 1.00 2.50 C ATOM 1284 CE1 TYR A 77 10.121 10.341 0.033 1.00 63.21 C ATOM 1285 CE2 TYR A 77 10.473 7.982 -0.179 1.00 14.24 C ATOM 1286 CZ TYR A 77 10.894 9.279 -0.392 1.00 14.33 C ATOM 1287 OH TYR A 77 12.088 9.516 -1.031 1.00 24.32 O ATOM 0 H TYR A 77 5.656 10.844 1.629 1.00 13.51 H new ATOM 0 HA TYR A 77 6.055 8.582 -0.242 1.00 73.12 H new ATOM 0 HB2 TYR A 77 7.150 9.087 2.546 1.00 22.44 H new ATOM 0 HB3 TYR A 77 7.092 7.483 1.842 1.00 22.44 H new ATOM 0 HD1 TYR A 77 8.321 10.933 1.008 1.00 62.40 H new ATOM 0 HD2 TYR A 77 8.943 6.735 0.626 1.00 2.50 H new ATOM 0 HE1 TYR A 77 10.452 11.355 -0.136 1.00 63.21 H new ATOM 0 HE2 TYR A 77 11.080 7.153 -0.511 1.00 14.24 H new ATOM 0 HH TYR A 77 12.509 8.662 -1.264 1.00 24.32 H new ATOM 1297 N VAL A 78 4.393 7.089 0.973 1.00 53.33 N ATOM 1298 CA VAL A 78 3.221 6.376 1.467 1.00 22.24 C ATOM 1299 C VAL A 78 3.401 4.868 1.342 1.00 41.25 C ATOM 1300 O VAL A 78 4.014 4.367 0.398 1.00 41.33 O ATOM 1301 CB VAL A 78 1.948 6.795 0.710 1.00 4.11 C ATOM 1302 CG1 VAL A 78 1.413 8.113 1.251 1.00 44.45 C ATOM 1303 CG2 VAL A 78 2.225 6.896 -0.784 1.00 22.40 C ATOM 0 H VAL A 78 4.957 6.562 0.306 1.00 53.33 H new ATOM 0 HA VAL A 78 3.112 6.639 2.519 1.00 22.24 H new ATOM 0 HB VAL A 78 1.187 6.030 0.865 1.00 4.11 H new ATOM 0 HG11 VAL A 78 0.513 8.393 0.703 1.00 44.45 H new ATOM 0 HG12 VAL A 78 1.174 8.002 2.309 1.00 44.45 H new ATOM 0 HG13 VAL A 78 2.168 8.890 1.129 1.00 44.45 H new ATOM 0 HG21 VAL A 78 1.314 7.193 -1.304 1.00 22.40 H new ATOM 0 HG22 VAL A 78 3.002 7.639 -0.960 1.00 22.40 H new ATOM 0 HG23 VAL A 78 2.557 5.928 -1.159 1.00 22.40 H new ATOM 1313 N PRO A 79 2.854 4.124 2.314 1.00 64.04 N ATOM 1314 CA PRO A 79 2.942 2.660 2.334 1.00 53.30 C ATOM 1315 C PRO A 79 2.104 2.015 1.235 1.00 14.44 C ATOM 1316 O PRO A 79 0.904 2.268 1.126 1.00 1.42 O ATOM 1317 CB PRO A 79 2.390 2.292 3.713 1.00 75.23 C ATOM 1318 CG PRO A 79 1.494 3.423 4.079 1.00 2.42 C ATOM 1319 CD PRO A 79 2.111 4.653 3.470 1.00 51.12 C ATOM 0 HA PRO A 79 3.959 2.309 2.159 1.00 53.30 H new ATOM 0 HB2 PRO A 79 1.844 1.349 3.682 1.00 75.23 H new ATOM 0 HB3 PRO A 79 3.192 2.172 4.441 1.00 75.23 H new ATOM 0 HG2 PRO A 79 0.486 3.262 3.697 1.00 2.42 H new ATOM 0 HG3 PRO A 79 1.413 3.522 5.161 1.00 2.42 H new ATOM 0 HD2 PRO A 79 1.353 5.374 3.165 1.00 51.12 H new ATOM 0 HD3 PRO A 79 2.770 5.162 4.173 1.00 51.12 H new ATOM 1327 N SER A 80 2.743 1.180 0.422 1.00 12.12 N ATOM 1328 CA SER A 80 2.056 0.501 -0.670 1.00 44.43 C ATOM 1329 C SER A 80 0.935 -0.386 -0.140 1.00 1.31 C ATOM 1330 O SER A 80 0.044 -0.791 -0.887 1.00 70.10 O ATOM 1331 CB SER A 80 3.047 -0.339 -1.479 1.00 4.04 C ATOM 1332 OG SER A 80 3.500 -1.454 -0.731 1.00 1.05 O ATOM 0 H SER A 80 3.735 0.958 0.499 1.00 12.12 H new ATOM 0 HA SER A 80 1.618 1.260 -1.318 1.00 44.43 H new ATOM 0 HB2 SER A 80 2.572 -0.682 -2.398 1.00 4.04 H new ATOM 0 HB3 SER A 80 3.898 0.277 -1.771 1.00 4.04 H new ATOM 0 HG SER A 80 4.393 -1.267 -0.374 1.00 1.05 H new ATOM 1338 N ASN A 81 0.985 -0.683 1.154 1.00 23.32 N ATOM 1339 CA ASN A 81 -0.026 -1.522 1.786 1.00 33.34 C ATOM 1340 C ASN A 81 -1.348 -0.772 1.921 1.00 31.12 C ATOM 1341 O ASN A 81 -2.421 -1.376 1.896 1.00 15.22 O ATOM 1342 CB ASN A 81 0.452 -1.985 3.163 1.00 23.31 C ATOM 1343 CG ASN A 81 1.430 -3.142 3.077 1.00 64.10 C ATOM 1344 OD1 ASN A 81 1.942 -3.457 2.003 1.00 52.31 O ATOM 1345 ND2 ASN A 81 1.693 -3.780 4.211 1.00 0.41 N ATOM 0 H ASN A 81 1.715 -0.355 1.786 1.00 23.32 H new ATOM 0 HA ASN A 81 -0.185 -2.394 1.152 1.00 33.34 H new ATOM 0 HB2 ASN A 81 0.925 -1.150 3.680 1.00 23.31 H new ATOM 0 HB3 ASN A 81 -0.408 -2.284 3.762 1.00 23.31 H new ATOM 0 HD21 ASN A 81 2.343 -4.566 4.215 1.00 0.41 H new ATOM 0 HD22 ASN A 81 1.245 -3.484 5.078 1.00 0.41 H new ATOM 1352 N TYR A 82 -1.264 0.546 2.062 1.00 4.42 N ATOM 1353 CA TYR A 82 -2.452 1.378 2.202 1.00 22.21 C ATOM 1354 C TYR A 82 -2.840 2.003 0.866 1.00 14.31 C ATOM 1355 O TYR A 82 -3.781 2.792 0.787 1.00 3.22 O ATOM 1356 CB TYR A 82 -2.212 2.476 3.241 1.00 1.13 C ATOM 1357 CG TYR A 82 -2.028 1.951 4.646 1.00 31.22 C ATOM 1358 CD1 TYR A 82 -0.835 1.356 5.036 1.00 4.33 C ATOM 1359 CD2 TYR A 82 -3.048 2.051 5.584 1.00 13.22 C ATOM 1360 CE1 TYR A 82 -0.663 0.874 6.320 1.00 13.35 C ATOM 1361 CE2 TYR A 82 -2.885 1.574 6.870 1.00 74.44 C ATOM 1362 CZ TYR A 82 -1.691 0.986 7.233 1.00 24.11 C ATOM 1363 OH TYR A 82 -1.524 0.508 8.513 1.00 51.42 O ATOM 0 H TYR A 82 -0.384 1.061 2.082 1.00 4.42 H new ATOM 0 HA TYR A 82 -3.272 0.743 2.537 1.00 22.21 H new ATOM 0 HB2 TYR A 82 -1.328 3.046 2.957 1.00 1.13 H new ATOM 0 HB3 TYR A 82 -3.055 3.167 3.228 1.00 1.13 H new ATOM 0 HD1 TYR A 82 -0.028 1.268 4.324 1.00 4.33 H new ATOM 0 HD2 TYR A 82 -3.984 2.510 5.303 1.00 13.22 H new ATOM 0 HE1 TYR A 82 0.270 0.413 6.607 1.00 13.35 H new ATOM 0 HE2 TYR A 82 -3.688 1.661 7.587 1.00 74.44 H new ATOM 0 HH TYR A 82 -1.238 -0.429 8.478 1.00 51.42 H new ATOM 1373 N VAL A 83 -2.110 1.642 -0.183 1.00 73.32 N ATOM 1374 CA VAL A 83 -2.378 2.164 -1.518 1.00 52.45 C ATOM 1375 C VAL A 83 -2.533 1.033 -2.530 1.00 34.54 C ATOM 1376 O VAL A 83 -2.078 -0.086 -2.298 1.00 71.34 O ATOM 1377 CB VAL A 83 -1.254 3.106 -1.988 1.00 33.45 C ATOM 1378 CG1 VAL A 83 -0.208 2.338 -2.780 1.00 62.31 C ATOM 1379 CG2 VAL A 83 -1.828 4.248 -2.815 1.00 74.15 C ATOM 0 H VAL A 83 -1.327 0.990 -0.135 1.00 73.32 H new ATOM 0 HA VAL A 83 -3.311 2.724 -1.457 1.00 52.45 H new ATOM 0 HB VAL A 83 -0.769 3.531 -1.109 1.00 33.45 H new ATOM 0 HG11 VAL A 83 0.578 3.021 -3.103 1.00 62.31 H new ATOM 0 HG12 VAL A 83 0.224 1.559 -2.152 1.00 62.31 H new ATOM 0 HG13 VAL A 83 -0.675 1.883 -3.653 1.00 62.31 H new ATOM 0 HG21 VAL A 83 -1.020 4.904 -3.139 1.00 74.15 H new ATOM 0 HG22 VAL A 83 -2.340 3.843 -3.688 1.00 74.15 H new ATOM 0 HG23 VAL A 83 -2.536 4.815 -2.210 1.00 74.15 H new ATOM 1389 N GLU A 84 -3.179 1.334 -3.652 1.00 1.22 N ATOM 1390 CA GLU A 84 -3.394 0.343 -4.698 1.00 2.33 C ATOM 1391 C GLU A 84 -3.690 1.018 -6.035 1.00 23.33 C ATOM 1392 O GLU A 84 -4.740 1.635 -6.212 1.00 23.12 O ATOM 1393 CB GLU A 84 -4.546 -0.590 -4.319 1.00 35.15 C ATOM 1394 CG GLU A 84 -4.979 -1.513 -5.445 1.00 2.42 C ATOM 1395 CD GLU A 84 -5.651 -2.775 -4.940 1.00 42.42 C ATOM 1396 OE1 GLU A 84 -6.887 -2.762 -4.770 1.00 52.10 O ATOM 1397 OE2 GLU A 84 -4.938 -3.775 -4.715 1.00 35.03 O ATOM 0 H GLU A 84 -3.562 2.256 -3.859 1.00 1.22 H new ATOM 0 HA GLU A 84 -2.481 -0.243 -4.801 1.00 2.33 H new ATOM 0 HB2 GLU A 84 -4.247 -1.193 -3.462 1.00 35.15 H new ATOM 0 HB3 GLU A 84 -5.400 0.010 -4.004 1.00 35.15 H new ATOM 0 HG2 GLU A 84 -5.665 -0.980 -6.104 1.00 2.42 H new ATOM 0 HG3 GLU A 84 -4.109 -1.784 -6.043 1.00 2.42 H new ATOM 1404 N ARG A 85 -2.756 0.895 -6.971 1.00 11.31 N ATOM 1405 CA ARG A 85 -2.915 1.494 -8.291 1.00 0.21 C ATOM 1406 C ARG A 85 -4.063 0.836 -9.053 1.00 62.21 C ATOM 1407 O ARG A 85 -4.456 -0.291 -8.752 1.00 32.11 O ATOM 1408 CB ARG A 85 -1.618 1.365 -9.093 1.00 3.53 C ATOM 1409 CG ARG A 85 -1.125 -0.065 -9.230 1.00 62.43 C ATOM 1410 CD ARG A 85 -1.708 -0.738 -10.464 1.00 23.50 C ATOM 1411 NE ARG A 85 -2.537 -1.889 -10.118 1.00 35.40 N ATOM 1412 CZ ARG A 85 -2.895 -2.826 -10.990 1.00 61.35 C ATOM 1413 NH1 ARG A 85 -2.494 -2.749 -12.251 1.00 73.52 N ATOM 1414 NH2 ARG A 85 -3.652 -3.843 -10.599 1.00 42.45 N ATOM 0 H ARG A 85 -1.881 0.386 -6.841 1.00 11.31 H new ATOM 0 HA ARG A 85 -3.148 2.550 -8.157 1.00 0.21 H new ATOM 0 HB2 ARG A 85 -1.773 1.783 -10.087 1.00 3.53 H new ATOM 0 HB3 ARG A 85 -0.843 1.963 -8.613 1.00 3.53 H new ATOM 0 HG2 ARG A 85 -0.037 -0.072 -9.290 1.00 62.43 H new ATOM 0 HG3 ARG A 85 -1.399 -0.633 -8.341 1.00 62.43 H new ATOM 0 HD2 ARG A 85 -2.304 -0.017 -11.023 1.00 23.50 H new ATOM 0 HD3 ARG A 85 -0.898 -1.058 -11.119 1.00 23.50 H new ATOM 0 HE ARG A 85 -2.859 -1.979 -9.154 1.00 35.40 H new ATOM 0 HH11 ARG A 85 -1.910 -1.970 -12.554 1.00 73.52 H new ATOM 0 HH12 ARG A 85 -2.770 -3.469 -12.919 1.00 73.52 H new ATOM 0 HH21 ARG A 85 -3.960 -3.906 -9.629 1.00 42.45 H new ATOM 0 HH22 ARG A 85 -3.926 -4.562 -11.269 1.00 42.45 H new ATOM 1428 N LYS A 86 -4.595 1.549 -10.040 1.00 75.14 N ATOM 1429 CA LYS A 86 -5.697 1.036 -10.845 1.00 42.31 C ATOM 1430 C LYS A 86 -5.615 1.560 -12.276 1.00 31.22 C ATOM 1431 O LYS A 86 -4.705 1.208 -13.024 1.00 50.12 O ATOM 1432 CB LYS A 86 -7.039 1.430 -10.222 1.00 73.14 C ATOM 1433 CG LYS A 86 -8.038 0.287 -10.156 1.00 70.01 C ATOM 1434 CD LYS A 86 -8.675 0.026 -11.511 1.00 15.14 C ATOM 1435 CE LYS A 86 -9.007 -1.447 -11.696 1.00 63.30 C ATOM 1436 NZ LYS A 86 -9.127 -1.812 -13.135 1.00 3.13 N ATOM 0 H LYS A 86 -4.281 2.484 -10.302 1.00 75.14 H new ATOM 0 HA LYS A 86 -5.621 -0.051 -10.869 1.00 42.31 H new ATOM 0 HB2 LYS A 86 -6.865 1.808 -9.215 1.00 73.14 H new ATOM 0 HB3 LYS A 86 -7.472 2.247 -10.799 1.00 73.14 H new ATOM 0 HG2 LYS A 86 -7.537 -0.616 -9.808 1.00 70.01 H new ATOM 0 HG3 LYS A 86 -8.814 0.522 -9.427 1.00 70.01 H new ATOM 0 HD2 LYS A 86 -9.584 0.620 -11.607 1.00 15.14 H new ATOM 0 HD3 LYS A 86 -7.997 0.349 -12.301 1.00 15.14 H new ATOM 0 HE2 LYS A 86 -8.232 -2.055 -11.230 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -9.942 -1.676 -11.184 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -9.354 -2.823 -13.219 1.00 3.13 H new ATOM 0 HZ2 LYS A 86 -9.884 -1.250 -13.574 1.00 3.13 H new ATOM 0 HZ3 LYS A 86 -8.227 -1.618 -13.619 1.00 3.13 H new