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 14 TYR OH : rot 180:sc= -0.359 USER MOD Set 1.2: A 44 GLN : amide:sc= -0.81 K(o=-1.2,f=0.85) USER MOD Single : A 11 ASN : amide:sc= -3.09! C(o=-3.1!,f=-2.9!) USER MOD Single : A 37 LYS NZ :NH3+ -136:sc= 0.529 (180deg=-0.442) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.88) USER MOD Single : A 46 GLN : amide:sc= -0.0785 X(o=-0.079,f=-0.38) 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= -0.108 X(o=-0.11,f=-0.085) 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 50:sc= -1.66 USER MOD Single : A 70 ASN : amide:sc= -4.26 K(o=-4.3,f=-0.66) USER MOD Single : A 73 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.97) 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= 1.35 USER MOD Single : A 81 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.7!) USER MOD Single : A 82 TYR OH : rot 8:sc= 1.3 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.902 -3.641 12.471 1.00 32.24 N ATOM 74 CA ARG A 5 -8.161 -2.760 11.577 1.00 41.12 C ATOM 75 C ARG A 5 -6.997 -3.502 10.926 1.00 5.12 C ATOM 76 O ARG A 5 -6.550 -4.546 11.401 1.00 25.20 O ATOM 77 CB ARG A 5 -7.639 -1.543 12.344 1.00 14.44 C ATOM 78 CG ARG A 5 -8.604 -0.369 12.352 1.00 74.40 C ATOM 79 CD ARG A 5 -8.902 0.097 13.769 1.00 44.22 C ATOM 80 NE ARG A 5 -9.593 1.383 13.788 1.00 55.24 N ATOM 81 CZ ARG A 5 -10.012 1.976 14.900 1.00 34.31 C ATOM 82 NH1 ARG A 5 -9.810 1.402 16.078 1.00 75.22 N ATOM 83 NH2 ARG A 5 -10.632 3.147 14.835 1.00 33.43 N ATOM 0 HA ARG A 5 -8.839 -2.423 10.793 1.00 41.12 H new ATOM 0 HB2 ARG A 5 -7.427 -1.836 13.372 1.00 14.44 H new ATOM 0 HB3 ARG A 5 -6.695 -1.223 11.903 1.00 14.44 H new ATOM 0 HG2 ARG A 5 -8.181 0.455 11.778 1.00 74.40 H new ATOM 0 HG3 ARG A 5 -9.533 -0.657 11.859 1.00 74.40 H new ATOM 0 HD2 ARG A 5 -9.513 -0.650 14.275 1.00 44.22 H new ATOM 0 HD3 ARG A 5 -7.970 0.178 14.328 1.00 44.22 H new ATOM 0 HE ARG A 5 -9.763 1.852 12.898 1.00 55.24 H new ATOM 0 HH11 ARG A 5 -9.332 0.503 16.132 1.00 75.22 H new ATOM 0 HH12 ARG A 5 -10.133 1.860 16.930 1.00 75.22 H new ATOM 0 HH21 ARG A 5 -10.787 3.592 13.931 1.00 33.43 H new ATOM 0 HH22 ARG A 5 -10.954 3.602 15.689 1.00 33.43 H new ATOM 97 N PRO A 6 -6.495 -2.952 9.810 1.00 23.21 N ATOM 98 CA PRO A 6 -5.377 -3.545 9.070 1.00 25.25 C ATOM 99 C PRO A 6 -4.059 -3.443 9.831 1.00 62.12 C ATOM 100 O PRO A 6 -3.942 -2.730 10.828 1.00 33.22 O ATOM 101 CB PRO A 6 -5.320 -2.711 7.788 1.00 4.21 C ATOM 102 CG PRO A 6 -5.924 -1.401 8.160 1.00 62.32 C ATOM 103 CD PRO A 6 -6.979 -1.710 9.187 1.00 3.54 C ATOM 0 HA PRO A 6 -5.522 -4.611 8.896 1.00 25.25 H new ATOM 0 HB2 PRO A 6 -4.294 -2.589 7.440 1.00 4.21 H new ATOM 0 HB3 PRO A 6 -5.876 -3.188 6.981 1.00 4.21 H new ATOM 0 HG2 PRO A 6 -5.171 -0.725 8.565 1.00 62.32 H new ATOM 0 HG3 PRO A 6 -6.358 -0.910 7.289 1.00 62.32 H new ATOM 0 HD2 PRO A 6 -7.077 -0.906 9.917 1.00 3.54 H new ATOM 0 HD3 PRO A 6 -7.959 -1.846 8.729 1.00 3.54 H new ATOM 111 N PRO A 7 -3.040 -4.172 9.351 1.00 71.12 N ATOM 112 CA PRO A 7 -1.712 -4.180 9.971 1.00 54.34 C ATOM 113 C PRO A 7 -0.978 -2.856 9.787 1.00 72.13 C ATOM 114 O PRO A 7 -1.386 -1.997 9.006 1.00 14.41 O ATOM 115 CB PRO A 7 -0.983 -5.303 9.230 1.00 43.43 C ATOM 116 CG PRO A 7 -1.668 -5.395 7.910 1.00 32.03 C ATOM 117 CD PRO A 7 -3.107 -5.045 8.167 1.00 31.22 C ATOM 0 HA PRO A 7 -1.766 -4.327 11.050 1.00 54.34 H new ATOM 0 HB2 PRO A 7 0.076 -5.076 9.111 1.00 43.43 H new ATOM 0 HB3 PRO A 7 -1.048 -6.244 9.776 1.00 43.43 H new ATOM 0 HG2 PRO A 7 -1.222 -4.709 7.190 1.00 32.03 H new ATOM 0 HG3 PRO A 7 -1.579 -6.398 7.493 1.00 32.03 H new ATOM 0 HD2 PRO A 7 -3.554 -4.533 7.315 1.00 31.22 H new ATOM 0 HD3 PRO A 7 -3.709 -5.934 8.357 1.00 31.22 H new ATOM 125 N PRO A 8 0.131 -2.685 10.522 1.00 54.05 N ATOM 126 CA PRO A 8 0.945 -1.469 10.456 1.00 54.31 C ATOM 127 C PRO A 8 1.686 -1.339 9.129 1.00 20.02 C ATOM 128 O PRO A 8 1.613 -2.223 8.276 1.00 22.44 O ATOM 129 CB PRO A 8 1.938 -1.643 11.608 1.00 73.34 C ATOM 130 CG PRO A 8 2.034 -3.117 11.804 1.00 24.25 C ATOM 131 CD PRO A 8 0.675 -3.669 11.473 1.00 52.53 C ATOM 0 HA PRO A 8 0.337 -0.567 10.532 1.00 54.31 H new ATOM 0 HB2 PRO A 8 2.909 -1.212 11.363 1.00 73.34 H new ATOM 0 HB3 PRO A 8 1.587 -1.145 12.512 1.00 73.34 H new ATOM 0 HG2 PRO A 8 2.798 -3.548 11.157 1.00 24.25 H new ATOM 0 HG3 PRO A 8 2.313 -3.357 12.830 1.00 24.25 H new ATOM 0 HD2 PRO A 8 0.742 -4.662 11.030 1.00 52.53 H new ATOM 0 HD3 PRO A 8 0.050 -3.758 12.361 1.00 52.53 H new ATOM 139 N VAL A 9 2.398 -0.229 8.962 1.00 63.32 N ATOM 140 CA VAL A 9 3.155 0.017 7.741 1.00 14.13 C ATOM 141 C VAL A 9 4.083 -1.150 7.423 1.00 74.21 C ATOM 142 O VAL A 9 4.636 -1.794 8.315 1.00 74.23 O ATOM 143 CB VAL A 9 3.988 1.308 7.845 1.00 21.31 C ATOM 144 CG1 VAL A 9 3.105 2.532 7.651 1.00 60.44 C ATOM 145 CG2 VAL A 9 4.710 1.367 9.183 1.00 14.13 C ATOM 0 H VAL A 9 2.466 0.514 9.657 1.00 63.32 H new ATOM 0 HA VAL A 9 2.428 0.128 6.937 1.00 14.13 H new ATOM 0 HB VAL A 9 4.737 1.302 7.053 1.00 21.31 H new ATOM 0 HG11 VAL A 9 3.712 3.434 7.728 1.00 60.44 H new ATOM 0 HG12 VAL A 9 2.638 2.492 6.667 1.00 60.44 H new ATOM 0 HG13 VAL A 9 2.332 2.548 8.419 1.00 60.44 H new ATOM 0 HG21 VAL A 9 5.294 2.285 9.241 1.00 14.13 H new ATOM 0 HG22 VAL A 9 3.979 1.350 9.992 1.00 14.13 H new ATOM 0 HG23 VAL A 9 5.374 0.508 9.276 1.00 14.13 H new ATOM 155 N PRO A 10 4.259 -1.431 6.124 1.00 4.50 N ATOM 156 CA PRO A 10 5.122 -2.521 5.660 1.00 55.12 C ATOM 157 C PRO A 10 6.600 -2.233 5.899 1.00 32.01 C ATOM 158 O PRO A 10 7.349 -1.966 4.961 1.00 1.33 O ATOM 159 CB PRO A 10 4.827 -2.591 4.159 1.00 54.03 C ATOM 160 CG PRO A 10 4.360 -1.223 3.800 1.00 72.34 C ATOM 161 CD PRO A 10 3.631 -0.704 5.008 1.00 32.42 C ATOM 0 HA PRO A 10 4.925 -3.452 6.192 1.00 55.12 H new ATOM 0 HB2 PRO A 10 5.717 -2.867 3.593 1.00 54.03 H new ATOM 0 HB3 PRO A 10 4.065 -3.339 3.940 1.00 54.03 H new ATOM 0 HG2 PRO A 10 5.201 -0.578 3.545 1.00 72.34 H new ATOM 0 HG3 PRO A 10 3.704 -1.250 2.930 1.00 72.34 H new ATOM 0 HD2 PRO A 10 3.747 0.374 5.115 1.00 32.42 H new ATOM 0 HD3 PRO A 10 2.561 -0.905 4.949 1.00 32.42 H new ATOM 169 N ASN A 11 7.012 -2.290 7.161 1.00 63.24 N ATOM 170 CA ASN A 11 8.401 -2.036 7.523 1.00 64.43 C ATOM 171 C ASN A 11 8.986 -0.907 6.680 1.00 75.50 C ATOM 172 O ASN A 11 9.647 -1.133 5.666 1.00 75.33 O ATOM 173 CB ASN A 11 9.238 -3.305 7.345 1.00 30.41 C ATOM 174 CG ASN A 11 9.057 -3.929 5.975 1.00 44.12 C ATOM 175 OD1 ASN A 11 9.816 -3.646 5.047 1.00 64.34 O ATOM 176 ND2 ASN A 11 8.050 -4.784 5.842 1.00 31.13 N ATOM 0 H ASN A 11 6.404 -2.510 7.950 1.00 63.24 H new ATOM 0 HA ASN A 11 8.427 -1.735 8.570 1.00 64.43 H new ATOM 0 HB2 ASN A 11 10.291 -3.067 7.497 1.00 30.41 H new ATOM 0 HB3 ASN A 11 8.962 -4.030 8.111 1.00 30.41 H new ATOM 0 HD21 ASN A 11 7.880 -5.236 4.944 1.00 31.13 H new ATOM 0 HD22 ASN A 11 7.446 -4.989 6.638 1.00 31.13 H new ATOM 183 N PRO A 12 8.737 0.340 7.106 1.00 21.42 N ATOM 184 CA PRO A 12 9.231 1.530 6.407 1.00 73.22 C ATOM 185 C PRO A 12 10.743 1.686 6.523 1.00 41.42 C ATOM 186 O PRO A 12 11.313 1.504 7.598 1.00 44.22 O ATOM 187 CB PRO A 12 8.518 2.682 7.119 1.00 34.32 C ATOM 188 CG PRO A 12 8.215 2.156 8.480 1.00 74.01 C ATOM 189 CD PRO A 12 7.956 0.684 8.307 1.00 23.11 C ATOM 0 HA PRO A 12 9.032 1.485 5.336 1.00 73.22 H new ATOM 0 HB2 PRO A 12 9.150 3.569 7.169 1.00 34.32 H new ATOM 0 HB3 PRO A 12 7.607 2.969 6.594 1.00 34.32 H new ATOM 0 HG2 PRO A 12 9.050 2.328 9.160 1.00 74.01 H new ATOM 0 HG3 PRO A 12 7.347 2.657 8.908 1.00 74.01 H new ATOM 0 HD2 PRO A 12 8.283 0.113 9.176 1.00 23.11 H new ATOM 0 HD3 PRO A 12 6.895 0.476 8.170 1.00 23.11 H new ATOM 197 N ASP A 13 11.385 2.024 5.410 1.00 23.32 N ATOM 198 CA ASP A 13 12.832 2.207 5.387 1.00 22.22 C ATOM 199 C ASP A 13 13.213 3.418 4.543 1.00 61.42 C ATOM 200 O ASP A 13 13.976 3.302 3.583 1.00 3.53 O ATOM 201 CB ASP A 13 13.518 0.953 4.843 1.00 55.15 C ATOM 202 CG ASP A 13 14.963 0.844 5.286 1.00 33.32 C ATOM 203 OD1 ASP A 13 15.642 -0.116 4.867 1.00 45.21 O ATOM 204 OD2 ASP A 13 15.416 1.720 6.052 1.00 72.21 O ATOM 0 H ASP A 13 10.926 2.177 4.512 1.00 23.32 H new ATOM 0 HA ASP A 13 13.168 2.380 6.409 1.00 22.22 H new ATOM 0 HB2 ASP A 13 12.972 0.070 5.176 1.00 55.15 H new ATOM 0 HB3 ASP A 13 13.475 0.963 3.754 1.00 55.15 H new ATOM 210 N TYR A 14 12.679 4.578 4.906 1.00 0.22 N ATOM 211 CA TYR A 14 12.961 5.811 4.180 1.00 33.43 C ATOM 212 C TYR A 14 13.864 6.731 4.997 1.00 51.15 C ATOM 213 O TYR A 14 14.499 7.636 4.456 1.00 15.21 O ATOM 214 CB TYR A 14 11.658 6.533 3.834 1.00 1.55 C ATOM 215 CG TYR A 14 10.698 6.642 4.999 1.00 13.52 C ATOM 216 CD1 TYR A 14 10.954 7.505 6.057 1.00 32.15 C ATOM 217 CD2 TYR A 14 9.537 5.881 5.039 1.00 34.12 C ATOM 218 CE1 TYR A 14 10.081 7.608 7.122 1.00 74.33 C ATOM 219 CE2 TYR A 14 8.657 5.978 6.101 1.00 70.53 C ATOM 220 CZ TYR A 14 8.934 6.840 7.140 1.00 14.33 C ATOM 221 OH TYR A 14 8.061 6.941 8.199 1.00 75.34 O ATOM 0 H TYR A 14 12.048 4.691 5.699 1.00 0.22 H new ATOM 0 HA TYR A 14 13.480 5.549 3.258 1.00 33.43 H new ATOM 0 HB2 TYR A 14 11.892 7.534 3.472 1.00 1.55 H new ATOM 0 HB3 TYR A 14 11.166 6.006 3.017 1.00 1.55 H new ATOM 0 HD1 TYR A 14 11.851 8.106 6.046 1.00 32.15 H new ATOM 0 HD2 TYR A 14 9.318 5.203 4.228 1.00 34.12 H new ATOM 0 HE1 TYR A 14 10.294 8.285 7.936 1.00 74.33 H new ATOM 0 HE2 TYR A 14 7.757 5.381 6.116 1.00 70.53 H new ATOM 0 HH TYR A 14 7.304 6.335 8.058 1.00 75.34 H new ATOM 491 N GLU A 31 3.808 8.467 -16.827 1.00 20.53 N ATOM 492 CA GLU A 31 2.546 9.046 -16.380 1.00 12.11 C ATOM 493 C GLU A 31 1.680 7.998 -15.690 1.00 52.25 C ATOM 494 O GLU A 31 0.708 7.503 -16.264 1.00 64.23 O ATOM 495 CB GLU A 31 1.790 9.649 -17.566 1.00 24.03 C ATOM 496 CG GLU A 31 2.552 10.757 -18.275 1.00 44.12 C ATOM 497 CD GLU A 31 2.505 12.072 -17.522 1.00 44.22 C ATOM 498 OE1 GLU A 31 1.748 12.163 -16.534 1.00 42.51 O ATOM 499 OE2 GLU A 31 3.226 13.010 -17.924 1.00 62.54 O ATOM 0 HA GLU A 31 2.771 9.834 -15.662 1.00 12.11 H new ATOM 0 HB2 GLU A 31 1.565 8.859 -18.282 1.00 24.03 H new ATOM 0 HB3 GLU A 31 0.836 10.043 -17.215 1.00 24.03 H new ATOM 0 HG2 GLU A 31 3.591 10.453 -18.404 1.00 44.12 H new ATOM 0 HG3 GLU A 31 2.135 10.899 -19.272 1.00 44.12 H new ATOM 506 N VAL A 32 2.037 7.662 -14.455 1.00 4.02 N ATOM 507 CA VAL A 32 1.293 6.673 -13.685 1.00 22.44 C ATOM 508 C VAL A 32 0.537 7.328 -12.532 1.00 61.02 C ATOM 509 O VAL A 32 0.919 8.396 -12.055 1.00 11.52 O ATOM 510 CB VAL A 32 2.224 5.586 -13.120 1.00 72.15 C ATOM 511 CG1 VAL A 32 1.413 4.417 -12.578 1.00 31.22 C ATOM 512 CG2 VAL A 32 3.202 5.117 -14.186 1.00 73.44 C ATOM 0 H VAL A 32 2.838 8.061 -13.966 1.00 4.02 H new ATOM 0 HA VAL A 32 0.580 6.212 -14.368 1.00 22.44 H new ATOM 0 HB VAL A 32 2.796 6.014 -12.297 1.00 72.15 H new ATOM 0 HG11 VAL A 32 2.088 3.658 -12.183 1.00 31.22 H new ATOM 0 HG12 VAL A 32 0.756 4.768 -11.782 1.00 31.22 H new ATOM 0 HG13 VAL A 32 0.814 3.987 -13.380 1.00 31.22 H new ATOM 0 HG21 VAL A 32 3.853 4.348 -13.770 1.00 73.44 H new ATOM 0 HG22 VAL A 32 2.650 4.706 -15.031 1.00 73.44 H new ATOM 0 HG23 VAL A 32 3.805 5.960 -14.522 1.00 73.44 H new ATOM 522 N ILE A 33 -0.535 6.679 -12.092 1.00 10.32 N ATOM 523 CA ILE A 33 -1.343 7.198 -10.995 1.00 20.52 C ATOM 524 C ILE A 33 -1.777 6.078 -10.055 1.00 13.40 C ATOM 525 O ILE A 33 -2.202 5.012 -10.498 1.00 73.14 O ATOM 526 CB ILE A 33 -2.594 7.930 -11.515 1.00 21.12 C ATOM 527 CG1 ILE A 33 -2.196 9.237 -12.205 1.00 0.12 C ATOM 528 CG2 ILE A 33 -3.562 8.203 -10.372 1.00 1.42 C ATOM 529 CD1 ILE A 33 -3.361 9.966 -12.838 1.00 62.11 C ATOM 0 H ILE A 33 -0.864 5.794 -12.477 1.00 10.32 H new ATOM 0 HA ILE A 33 -0.718 7.906 -10.450 1.00 20.52 H new ATOM 0 HB ILE A 33 -3.093 7.292 -12.244 1.00 21.12 H new ATOM 0 HG12 ILE A 33 -1.720 9.893 -11.476 1.00 0.12 H new ATOM 0 HG13 ILE A 33 -1.453 9.021 -12.972 1.00 0.12 H new ATOM 0 HG21 ILE A 33 -4.441 8.721 -10.756 1.00 1.42 H new ATOM 0 HG22 ILE A 33 -3.866 7.259 -9.919 1.00 1.42 H new ATOM 0 HG23 ILE A 33 -3.073 8.825 -9.622 1.00 1.42 H new ATOM 0 HD11 ILE A 33 -3.005 10.883 -13.308 1.00 62.11 H new ATOM 0 HD12 ILE A 33 -3.824 9.328 -13.591 1.00 62.11 H new ATOM 0 HD13 ILE A 33 -4.095 10.213 -12.071 1.00 62.11 H new ATOM 541 N VAL A 34 -1.671 6.329 -8.754 1.00 64.34 N ATOM 542 CA VAL A 34 -2.054 5.344 -7.751 1.00 11.45 C ATOM 543 C VAL A 34 -3.336 5.757 -7.037 1.00 14.24 C ATOM 544 O VAL A 34 -3.834 6.868 -7.228 1.00 31.10 O ATOM 545 CB VAL A 34 -0.941 5.142 -6.707 1.00 63.20 C ATOM 546 CG1 VAL A 34 -1.147 6.070 -5.519 1.00 44.43 C ATOM 547 CG2 VAL A 34 -0.890 3.690 -6.256 1.00 4.51 C ATOM 0 H VAL A 34 -1.323 7.207 -8.370 1.00 64.34 H new ATOM 0 HA VAL A 34 -2.221 4.405 -8.279 1.00 11.45 H new ATOM 0 HB VAL A 34 0.015 5.389 -7.169 1.00 63.20 H new ATOM 0 HG11 VAL A 34 -0.350 5.912 -4.792 1.00 44.43 H new ATOM 0 HG12 VAL A 34 -1.129 7.106 -5.859 1.00 44.43 H new ATOM 0 HG13 VAL A 34 -2.110 5.858 -5.054 1.00 44.43 H new ATOM 0 HG21 VAL A 34 -0.097 3.566 -5.518 1.00 4.51 H new ATOM 0 HG22 VAL A 34 -1.846 3.413 -5.812 1.00 4.51 H new ATOM 0 HG23 VAL A 34 -0.690 3.049 -7.115 1.00 4.51 H new ATOM 557 N ILE A 35 -3.866 4.858 -6.214 1.00 3.23 N ATOM 558 CA ILE A 35 -5.090 5.132 -5.470 1.00 41.25 C ATOM 559 C ILE A 35 -4.934 4.755 -4.001 1.00 13.15 C ATOM 560 O ILE A 35 -4.434 3.679 -3.675 1.00 61.21 O ATOM 561 CB ILE A 35 -6.290 4.368 -6.061 1.00 44.12 C ATOM 562 CG1 ILE A 35 -6.287 4.471 -7.588 1.00 43.12 C ATOM 563 CG2 ILE A 35 -7.593 4.906 -5.491 1.00 62.44 C ATOM 564 CD1 ILE A 35 -6.416 5.890 -8.097 1.00 14.24 C ATOM 0 H ILE A 35 -3.467 3.934 -6.046 1.00 3.23 H new ATOM 0 HA ILE A 35 -5.277 6.203 -5.550 1.00 41.25 H new ATOM 0 HB ILE A 35 -6.203 3.317 -5.787 1.00 44.12 H new ATOM 0 HG12 ILE A 35 -5.363 4.038 -7.972 1.00 43.12 H new ATOM 0 HG13 ILE A 35 -7.108 3.874 -7.986 1.00 43.12 H new ATOM 0 HG21 ILE A 35 -8.432 4.356 -5.918 1.00 62.44 H new ATOM 0 HG22 ILE A 35 -7.594 4.785 -4.408 1.00 62.44 H new ATOM 0 HG23 ILE A 35 -7.689 5.963 -5.738 1.00 62.44 H new ATOM 0 HD11 ILE A 35 -6.407 5.888 -9.187 1.00 14.24 H new ATOM 0 HD12 ILE A 35 -7.353 6.320 -7.743 1.00 14.24 H new ATOM 0 HD13 ILE A 35 -5.581 6.486 -7.728 1.00 14.24 H new ATOM 576 N ALA A 36 -5.368 5.648 -3.118 1.00 11.22 N ATOM 577 CA ALA A 36 -5.282 5.408 -1.683 1.00 63.31 C ATOM 578 C ALA A 36 -6.422 4.516 -1.205 1.00 74.14 C ATOM 579 O ALA A 36 -7.566 4.958 -1.094 1.00 42.03 O ATOM 580 CB ALA A 36 -5.290 6.728 -0.926 1.00 62.41 C ATOM 0 H ALA A 36 -5.783 6.545 -3.371 1.00 11.22 H new ATOM 0 HA ALA A 36 -4.343 4.891 -1.482 1.00 63.31 H new ATOM 0 HB1 ALA A 36 -5.225 6.534 0.145 1.00 62.41 H new ATOM 0 HB2 ALA A 36 -4.437 7.331 -1.238 1.00 62.41 H new ATOM 0 HB3 ALA A 36 -6.213 7.266 -1.142 1.00 62.41 H new ATOM 586 N LYS A 37 -6.104 3.256 -0.925 1.00 3.20 N ATOM 587 CA LYS A 37 -7.101 2.300 -0.460 1.00 65.31 C ATOM 588 C LYS A 37 -7.824 2.826 0.775 1.00 31.30 C ATOM 589 O LYS A 37 -9.008 2.554 0.976 1.00 31.02 O ATOM 590 CB LYS A 37 -6.440 0.956 -0.143 1.00 0.30 C ATOM 591 CG LYS A 37 -6.002 0.188 -1.378 1.00 2.42 C ATOM 592 CD LYS A 37 -5.747 -1.277 -1.063 1.00 0.33 C ATOM 593 CE LYS A 37 -7.050 -2.040 -0.874 1.00 44.04 C ATOM 594 NZ LYS A 37 -6.837 -3.329 -0.161 1.00 62.12 N ATOM 0 H LYS A 37 -5.162 2.874 -1.012 1.00 3.20 H new ATOM 0 HA LYS A 37 -7.833 2.160 -1.256 1.00 65.31 H new ATOM 0 HB2 LYS A 37 -5.573 1.128 0.494 1.00 0.30 H new ATOM 0 HB3 LYS A 37 -7.138 0.343 0.428 1.00 0.30 H new ATOM 0 HG2 LYS A 37 -6.769 0.267 -2.148 1.00 2.42 H new ATOM 0 HG3 LYS A 37 -5.096 0.637 -1.784 1.00 2.42 H new ATOM 0 HD2 LYS A 37 -5.173 -1.730 -1.871 1.00 0.33 H new ATOM 0 HD3 LYS A 37 -5.143 -1.356 -0.159 1.00 0.33 H new ATOM 0 HE2 LYS A 37 -7.753 -1.425 -0.312 1.00 44.04 H new ATOM 0 HE3 LYS A 37 -7.503 -2.233 -1.847 1.00 44.04 H new ATOM 0 HZ1 LYS A 37 -7.381 -4.080 -0.632 1.00 62.12 H new ATOM 0 HZ2 LYS A 37 -5.826 -3.572 -0.177 1.00 62.12 H new ATOM 0 HZ3 LYS A 37 -7.156 -3.237 0.825 1.00 62.12 H new ATOM 608 N TRP A 38 -7.105 3.580 1.599 1.00 35.35 N ATOM 609 CA TRP A 38 -7.679 4.147 2.815 1.00 75.35 C ATOM 610 C TRP A 38 -7.068 5.507 3.124 1.00 4.14 C ATOM 611 O TRP A 38 -6.368 6.087 2.292 1.00 20.32 O ATOM 612 CB TRP A 38 -7.464 3.197 3.995 1.00 71.31 C ATOM 613 CG TRP A 38 -6.959 1.847 3.587 1.00 41.43 C ATOM 614 CD1 TRP A 38 -5.655 1.442 3.534 1.00 53.15 C ATOM 615 CD2 TRP A 38 -7.747 0.725 3.173 1.00 12.53 C ATOM 616 NE1 TRP A 38 -5.586 0.136 3.111 1.00 22.10 N ATOM 617 CE2 TRP A 38 -6.855 -0.326 2.884 1.00 30.23 C ATOM 618 CE3 TRP A 38 -9.117 0.507 3.019 1.00 34.24 C ATOM 619 CZ2 TRP A 38 -7.293 -1.575 2.449 1.00 31.32 C ATOM 620 CZ3 TRP A 38 -9.551 -0.732 2.589 1.00 52.03 C ATOM 621 CH2 TRP A 38 -8.640 -1.761 2.309 1.00 34.31 C ATOM 0 H TRP A 38 -6.124 3.813 1.448 1.00 35.35 H new ATOM 0 HA TRP A 38 -8.749 4.280 2.654 1.00 75.35 H new ATOM 0 HB2 TRP A 38 -6.755 3.647 4.690 1.00 71.31 H new ATOM 0 HB3 TRP A 38 -8.405 3.078 4.532 1.00 71.31 H new ATOM 0 HD1 TRP A 38 -4.804 2.057 3.787 1.00 53.15 H new ATOM 0 HE1 TRP A 38 -4.728 -0.402 2.986 1.00 22.10 H new ATOM 0 HE3 TRP A 38 -9.826 1.294 3.232 1.00 34.24 H new ATOM 0 HZ2 TRP A 38 -6.593 -2.368 2.230 1.00 31.32 H new ATOM 0 HZ3 TRP A 38 -10.609 -0.911 2.466 1.00 52.03 H new ATOM 0 HH2 TRP A 38 -9.010 -2.719 1.976 1.00 34.31 H new ATOM 632 N ASP A 39 -7.336 6.015 4.322 1.00 64.31 N ATOM 633 CA ASP A 39 -6.811 7.309 4.741 1.00 42.54 C ATOM 634 C ASP A 39 -5.725 7.138 5.799 1.00 40.52 C ATOM 635 O ASP A 39 -5.924 6.451 6.802 1.00 4.41 O ATOM 636 CB ASP A 39 -7.937 8.189 5.285 1.00 60.22 C ATOM 637 CG ASP A 39 -9.049 7.379 5.921 1.00 60.43 C ATOM 638 OD1 ASP A 39 -8.847 6.877 7.048 1.00 4.45 O ATOM 639 OD2 ASP A 39 -10.119 7.247 5.294 1.00 15.12 O ATOM 0 H ASP A 39 -7.915 5.549 5.021 1.00 64.31 H new ATOM 0 HA ASP A 39 -6.371 7.794 3.870 1.00 42.54 H new ATOM 0 HB2 ASP A 39 -7.529 8.882 6.021 1.00 60.22 H new ATOM 0 HB3 ASP A 39 -8.348 8.791 4.474 1.00 60.22 H new ATOM 645 N TYR A 40 -4.576 7.764 5.568 1.00 35.43 N ATOM 646 CA TYR A 40 -3.458 7.679 6.500 1.00 43.25 C ATOM 647 C TYR A 40 -2.986 9.069 6.912 1.00 63.42 C ATOM 648 O TYR A 40 -3.318 10.067 6.273 1.00 21.02 O ATOM 649 CB TYR A 40 -2.301 6.900 5.870 1.00 30.21 C ATOM 650 CG TYR A 40 -1.391 6.245 6.884 1.00 44.41 C ATOM 651 CD1 TYR A 40 -1.905 5.448 7.899 1.00 42.41 C ATOM 652 CD2 TYR A 40 -0.014 6.424 6.826 1.00 42.52 C ATOM 653 CE1 TYR A 40 -1.076 4.849 8.826 1.00 1.34 C ATOM 654 CE2 TYR A 40 0.824 5.827 7.748 1.00 70.31 C ATOM 655 CZ TYR A 40 0.288 5.041 8.747 1.00 51.34 C ATOM 656 OH TYR A 40 1.117 4.445 9.669 1.00 43.05 O ATOM 0 H TYR A 40 -4.395 8.336 4.743 1.00 35.43 H new ATOM 0 HA TYR A 40 -3.799 7.153 7.391 1.00 43.25 H new ATOM 0 HB2 TYR A 40 -2.707 6.134 5.209 1.00 30.21 H new ATOM 0 HB3 TYR A 40 -1.713 7.577 5.250 1.00 30.21 H new ATOM 0 HD1 TYR A 40 -2.972 5.294 7.964 1.00 42.41 H new ATOM 0 HD2 TYR A 40 0.408 7.041 6.046 1.00 42.52 H new ATOM 0 HE1 TYR A 40 -1.493 4.233 9.609 1.00 1.34 H new ATOM 0 HE2 TYR A 40 1.892 5.975 7.687 1.00 70.31 H new ATOM 0 HH TYR A 40 2.048 4.680 9.472 1.00 43.05 H new ATOM 666 N THR A 41 -2.205 9.127 7.988 1.00 74.45 N ATOM 667 CA THR A 41 -1.687 10.393 8.488 1.00 44.11 C ATOM 668 C THR A 41 -0.167 10.447 8.377 1.00 0.30 C ATOM 669 O THR A 41 0.526 9.495 8.737 1.00 13.25 O ATOM 670 CB THR A 41 -2.091 10.625 9.956 1.00 34.22 C ATOM 671 OG1 THR A 41 -3.380 10.055 10.205 1.00 53.10 O ATOM 672 CG2 THR A 41 -2.116 12.111 10.282 1.00 71.52 C ATOM 0 H THR A 41 -1.918 8.311 8.529 1.00 74.45 H new ATOM 0 HA THR A 41 -2.122 11.179 7.870 1.00 44.11 H new ATOM 0 HB THR A 41 -1.351 10.142 10.594 1.00 34.22 H new ATOM 0 HG1 THR A 41 -3.629 10.205 11.141 1.00 53.10 H new ATOM 0 HG21 THR A 41 -2.404 12.250 11.324 1.00 71.52 H new ATOM 0 HG22 THR A 41 -1.125 12.536 10.119 1.00 71.52 H new ATOM 0 HG23 THR A 41 -2.837 12.613 9.636 1.00 71.52 H new ATOM 680 N ALA A 42 0.346 11.567 7.875 1.00 75.12 N ATOM 681 CA ALA A 42 1.784 11.745 7.718 1.00 73.51 C ATOM 682 C ALA A 42 2.509 11.541 9.045 1.00 13.35 C ATOM 683 O ALA A 42 2.533 12.433 9.893 1.00 13.25 O ATOM 684 CB ALA A 42 2.086 13.126 7.157 1.00 74.10 C ATOM 0 H ALA A 42 -0.213 12.364 7.571 1.00 75.12 H new ATOM 0 HA ALA A 42 2.145 10.993 7.016 1.00 73.51 H new ATOM 0 HB1 ALA A 42 3.164 13.245 7.045 1.00 74.10 H new ATOM 0 HB2 ALA A 42 1.605 13.237 6.185 1.00 74.10 H new ATOM 0 HB3 ALA A 42 1.706 13.887 7.839 1.00 74.10 H new ATOM 690 N GLN A 43 3.100 10.363 9.216 1.00 14.42 N ATOM 691 CA GLN A 43 3.825 10.043 10.440 1.00 14.02 C ATOM 692 C GLN A 43 5.014 10.979 10.628 1.00 4.32 C ATOM 693 O GLN A 43 5.396 11.292 11.756 1.00 22.01 O ATOM 694 CB GLN A 43 4.304 8.591 10.409 1.00 34.02 C ATOM 695 CG GLN A 43 5.023 8.214 9.124 1.00 4.42 C ATOM 696 CD GLN A 43 4.237 7.227 8.283 1.00 64.12 C ATOM 697 OE1 GLN A 43 4.191 6.035 8.586 1.00 40.20 O ATOM 698 NE2 GLN A 43 3.615 7.721 7.219 1.00 64.30 N ATOM 0 H GLN A 43 3.091 9.615 8.523 1.00 14.42 H new ATOM 0 HA GLN A 43 3.145 10.176 11.281 1.00 14.02 H new ATOM 0 HB2 GLN A 43 4.972 8.420 11.253 1.00 34.02 H new ATOM 0 HB3 GLN A 43 3.446 7.931 10.542 1.00 34.02 H new ATOM 0 HG2 GLN A 43 5.211 9.115 8.540 1.00 4.42 H new ATOM 0 HG3 GLN A 43 5.994 7.784 9.368 1.00 4.42 H new ATOM 0 HE21 GLN A 43 3.681 8.716 7.006 1.00 64.30 H new ATOM 0 HE22 GLN A 43 3.071 7.105 6.614 1.00 64.30 H new ATOM 707 N GLN A 44 5.594 11.422 9.518 1.00 51.42 N ATOM 708 CA GLN A 44 6.740 12.321 9.562 1.00 42.35 C ATOM 709 C GLN A 44 6.601 13.433 8.527 1.00 73.04 C ATOM 710 O GLN A 44 5.545 13.598 7.918 1.00 40.20 O ATOM 711 CB GLN A 44 8.035 11.544 9.320 1.00 25.31 C ATOM 712 CG GLN A 44 8.191 10.328 10.220 1.00 23.44 C ATOM 713 CD GLN A 44 9.453 9.541 9.924 1.00 0.34 C ATOM 714 OE1 GLN A 44 10.439 10.090 9.431 1.00 74.25 O ATOM 715 NE2 GLN A 44 9.428 8.248 10.225 1.00 23.11 N ATOM 0 H GLN A 44 5.289 11.173 8.577 1.00 51.42 H new ATOM 0 HA GLN A 44 6.775 12.774 10.553 1.00 42.35 H new ATOM 0 HB2 GLN A 44 8.067 11.222 8.279 1.00 25.31 H new ATOM 0 HB3 GLN A 44 8.883 12.211 9.474 1.00 25.31 H new ATOM 0 HG2 GLN A 44 8.204 10.651 11.261 1.00 23.44 H new ATOM 0 HG3 GLN A 44 7.325 9.677 10.099 1.00 23.44 H new ATOM 0 HE21 GLN A 44 8.589 7.835 10.632 1.00 23.11 H new ATOM 0 HE22 GLN A 44 10.248 7.667 10.049 1.00 23.11 H new ATOM 724 N ASP A 45 7.674 14.193 8.333 1.00 75.33 N ATOM 725 CA ASP A 45 7.671 15.288 7.371 1.00 73.30 C ATOM 726 C ASP A 45 7.982 14.779 5.967 1.00 54.32 C ATOM 727 O ASP A 45 7.604 15.400 4.975 1.00 52.42 O ATOM 728 CB ASP A 45 8.690 16.354 7.778 1.00 5.34 C ATOM 729 CG ASP A 45 8.158 17.284 8.851 1.00 61.34 C ATOM 730 OD1 ASP A 45 7.222 16.882 9.574 1.00 63.45 O ATOM 731 OD2 ASP A 45 8.679 18.411 8.971 1.00 23.13 O ATOM 0 H ASP A 45 8.557 14.070 8.830 1.00 75.33 H new ATOM 0 HA ASP A 45 6.675 15.731 7.365 1.00 73.30 H new ATOM 0 HB2 ASP A 45 9.596 15.867 8.140 1.00 5.34 H new ATOM 0 HB3 ASP A 45 8.970 16.938 6.901 1.00 5.34 H new ATOM 737 N GLN A 46 8.673 13.647 5.894 1.00 53.43 N ATOM 738 CA GLN A 46 9.036 13.056 4.611 1.00 63.11 C ATOM 739 C GLN A 46 7.850 12.322 3.995 1.00 55.14 C ATOM 740 O GLN A 46 7.709 12.266 2.773 1.00 1.32 O ATOM 741 CB GLN A 46 10.212 12.093 4.782 1.00 25.55 C ATOM 742 CG GLN A 46 11.571 12.768 4.680 1.00 21.54 C ATOM 743 CD GLN A 46 12.250 12.921 6.026 1.00 35.52 C ATOM 744 OE1 GLN A 46 12.296 11.982 6.821 1.00 2.15 O ATOM 745 NE2 GLN A 46 12.783 14.108 6.291 1.00 54.43 N ATOM 0 H GLN A 46 8.993 13.121 6.707 1.00 53.43 H new ATOM 0 HA GLN A 46 9.331 13.863 3.940 1.00 63.11 H new ATOM 0 HB2 GLN A 46 10.131 11.602 5.752 1.00 25.55 H new ATOM 0 HB3 GLN A 46 10.145 11.313 4.024 1.00 25.55 H new ATOM 0 HG2 GLN A 46 12.212 12.186 4.018 1.00 21.54 H new ATOM 0 HG3 GLN A 46 11.451 13.751 4.224 1.00 21.54 H new ATOM 0 HE21 GLN A 46 12.722 14.859 5.604 1.00 54.43 H new ATOM 0 HE22 GLN A 46 13.253 14.269 7.182 1.00 54.43 H new ATOM 754 N GLU A 47 6.998 11.760 4.847 1.00 4.21 N ATOM 755 CA GLU A 47 5.825 11.029 4.385 1.00 4.04 C ATOM 756 C GLU A 47 4.719 11.989 3.960 1.00 55.43 C ATOM 757 O GLU A 47 4.778 13.186 4.240 1.00 12.45 O ATOM 758 CB GLU A 47 5.312 10.097 5.485 1.00 51.15 C ATOM 759 CG GLU A 47 6.416 9.346 6.210 1.00 24.50 C ATOM 760 CD GLU A 47 7.506 8.864 5.274 1.00 51.31 C ATOM 761 OE1 GLU A 47 7.233 7.957 4.460 1.00 11.01 O ATOM 762 OE2 GLU A 47 8.634 9.394 5.356 1.00 42.44 O ATOM 0 H GLU A 47 7.099 11.797 5.861 1.00 4.21 H new ATOM 0 HA GLU A 47 6.117 10.433 3.520 1.00 4.04 H new ATOM 0 HB2 GLU A 47 4.745 10.682 6.210 1.00 51.15 H new ATOM 0 HB3 GLU A 47 4.621 9.377 5.046 1.00 51.15 H new ATOM 0 HG2 GLU A 47 6.854 9.995 6.968 1.00 24.50 H new ATOM 0 HG3 GLU A 47 5.986 8.491 6.732 1.00 24.50 H new ATOM 769 N LEU A 48 3.710 11.456 3.280 1.00 20.40 N ATOM 770 CA LEU A 48 2.588 12.265 2.815 1.00 64.14 C ATOM 771 C LEU A 48 1.271 11.748 3.384 1.00 54.04 C ATOM 772 O LEU A 48 1.150 10.571 3.726 1.00 24.11 O ATOM 773 CB LEU A 48 2.532 12.262 1.286 1.00 41.00 C ATOM 774 CG LEU A 48 2.557 13.635 0.612 1.00 63.15 C ATOM 775 CD1 LEU A 48 2.705 13.486 -0.894 1.00 4.43 C ATOM 776 CD2 LEU A 48 1.298 14.419 0.950 1.00 31.45 C ATOM 0 H LEU A 48 3.645 10.467 3.038 1.00 20.40 H new ATOM 0 HA LEU A 48 2.738 13.286 3.166 1.00 64.14 H new ATOM 0 HB2 LEU A 48 3.375 11.680 0.912 1.00 41.00 H new ATOM 0 HB3 LEU A 48 1.625 11.744 0.976 1.00 41.00 H new ATOM 0 HG LEU A 48 3.417 14.188 0.989 1.00 63.15 H new ATOM 0 HD11 LEU A 48 2.721 14.472 -1.357 1.00 4.43 H new ATOM 0 HD12 LEU A 48 3.636 12.965 -1.118 1.00 4.43 H new ATOM 0 HD13 LEU A 48 1.865 12.914 -1.287 1.00 4.43 H new ATOM 0 HD21 LEU A 48 1.334 15.393 0.462 1.00 31.45 H new ATOM 0 HD22 LEU A 48 0.423 13.870 0.601 1.00 31.45 H new ATOM 0 HD23 LEU A 48 1.234 14.556 2.029 1.00 31.45 H new ATOM 788 N ASP A 49 0.285 12.633 3.480 1.00 41.54 N ATOM 789 CA ASP A 49 -1.025 12.265 4.002 1.00 23.34 C ATOM 790 C ASP A 49 -1.974 11.881 2.872 1.00 24.20 C ATOM 791 O ASP A 49 -2.155 12.636 1.916 1.00 73.10 O ATOM 792 CB ASP A 49 -1.617 13.421 4.811 1.00 34.32 C ATOM 793 CG ASP A 49 -2.752 12.975 5.712 1.00 20.02 C ATOM 794 OD1 ASP A 49 -3.729 12.397 5.194 1.00 71.35 O ATOM 795 OD2 ASP A 49 -2.662 13.205 6.936 1.00 24.13 O ATOM 0 H ASP A 49 0.369 13.611 3.203 1.00 41.54 H new ATOM 0 HA ASP A 49 -0.899 11.401 4.654 1.00 23.34 H new ATOM 0 HB2 ASP A 49 -0.833 13.876 5.417 1.00 34.32 H new ATOM 0 HB3 ASP A 49 -1.979 14.190 4.129 1.00 34.32 H new ATOM 801 N ILE A 50 -2.577 10.702 2.988 1.00 62.13 N ATOM 802 CA ILE A 50 -3.507 10.217 1.975 1.00 0.02 C ATOM 803 C ILE A 50 -4.910 10.056 2.550 1.00 20.44 C ATOM 804 O ILE A 50 -5.079 9.745 3.730 1.00 22.11 O ATOM 805 CB ILE A 50 -3.047 8.871 1.387 1.00 73.55 C ATOM 806 CG1 ILE A 50 -2.626 7.916 2.509 1.00 22.00 C ATOM 807 CG2 ILE A 50 -1.903 9.082 0.408 1.00 40.43 C ATOM 808 CD1 ILE A 50 -2.171 6.563 2.011 1.00 74.43 C ATOM 0 H ILE A 50 -2.438 10.065 3.773 1.00 62.13 H new ATOM 0 HA ILE A 50 -3.526 10.963 1.180 1.00 0.02 H new ATOM 0 HB ILE A 50 -3.882 8.424 0.848 1.00 73.55 H new ATOM 0 HG12 ILE A 50 -1.819 8.374 3.081 1.00 22.00 H new ATOM 0 HG13 ILE A 50 -3.464 7.780 3.193 1.00 22.00 H new ATOM 0 HG21 ILE A 50 -1.590 8.120 0.002 1.00 40.43 H new ATOM 0 HG22 ILE A 50 -2.234 9.729 -0.404 1.00 40.43 H new ATOM 0 HG23 ILE A 50 -1.064 9.548 0.924 1.00 40.43 H new ATOM 0 HD11 ILE A 50 -1.888 5.939 2.859 1.00 74.43 H new ATOM 0 HD12 ILE A 50 -2.983 6.085 1.464 1.00 74.43 H new ATOM 0 HD13 ILE A 50 -1.313 6.688 1.351 1.00 74.43 H new ATOM 820 N LYS A 51 -5.916 10.269 1.708 1.00 63.35 N ATOM 821 CA LYS A 51 -7.306 10.145 2.130 1.00 52.01 C ATOM 822 C LYS A 51 -8.028 9.076 1.315 1.00 73.31 C ATOM 823 O LYS A 51 -7.639 8.770 0.188 1.00 63.31 O ATOM 824 CB LYS A 51 -8.027 11.486 1.982 1.00 1.13 C ATOM 825 CG LYS A 51 -8.510 12.066 3.301 1.00 64.11 C ATOM 826 CD LYS A 51 -8.895 13.529 3.160 1.00 74.14 C ATOM 827 CE LYS A 51 -10.392 13.730 3.339 1.00 41.13 C ATOM 828 NZ LYS A 51 -11.164 13.225 2.169 1.00 64.31 N ATOM 0 H LYS A 51 -5.794 10.528 0.729 1.00 63.35 H new ATOM 0 HA LYS A 51 -7.316 9.848 3.179 1.00 52.01 H new ATOM 0 HB2 LYS A 51 -7.355 12.200 1.505 1.00 1.13 H new ATOM 0 HB3 LYS A 51 -8.881 11.358 1.316 1.00 1.13 H new ATOM 0 HG2 LYS A 51 -9.368 11.496 3.658 1.00 64.11 H new ATOM 0 HG3 LYS A 51 -7.726 11.966 4.052 1.00 64.11 H new ATOM 0 HD2 LYS A 51 -8.356 14.121 3.900 1.00 74.14 H new ATOM 0 HD3 LYS A 51 -8.593 13.893 2.178 1.00 74.14 H new ATOM 0 HE2 LYS A 51 -10.722 13.215 4.241 1.00 41.13 H new ATOM 0 HE3 LYS A 51 -10.601 14.790 3.482 1.00 41.13 H new ATOM 0 HZ1 LYS A 51 -12.180 13.380 2.330 1.00 64.31 H new ATOM 0 HZ2 LYS A 51 -10.867 13.734 1.312 1.00 64.31 H new ATOM 0 HZ3 LYS A 51 -10.984 12.208 2.047 1.00 64.31 H new ATOM 842 N LYS A 52 -9.083 8.509 1.893 1.00 24.03 N ATOM 843 CA LYS A 52 -9.861 7.477 1.221 1.00 35.33 C ATOM 844 C LYS A 52 -10.321 7.950 -0.154 1.00 43.12 C ATOM 845 O LYS A 52 -10.846 9.052 -0.298 1.00 53.35 O ATOM 846 CB LYS A 52 -11.074 7.091 2.071 1.00 14.41 C ATOM 847 CG LYS A 52 -11.959 8.270 2.437 1.00 34.54 C ATOM 848 CD LYS A 52 -13.161 7.830 3.259 1.00 1.33 C ATOM 849 CE LYS A 52 -14.123 6.990 2.434 1.00 14.02 C ATOM 850 NZ LYS A 52 -15.522 7.101 2.928 1.00 34.42 N ATOM 0 H LYS A 52 -9.418 8.748 2.826 1.00 24.03 H new ATOM 0 HA LYS A 52 -9.223 6.603 1.090 1.00 35.33 H new ATOM 0 HB2 LYS A 52 -11.668 6.356 1.529 1.00 14.41 H new ATOM 0 HB3 LYS A 52 -10.728 6.609 2.985 1.00 14.41 H new ATOM 0 HG2 LYS A 52 -11.379 9.001 3.001 1.00 34.54 H new ATOM 0 HG3 LYS A 52 -12.300 8.766 1.528 1.00 34.54 H new ATOM 0 HD2 LYS A 52 -12.823 7.256 4.122 1.00 1.33 H new ATOM 0 HD3 LYS A 52 -13.681 8.707 3.644 1.00 1.33 H new ATOM 0 HE2 LYS A 52 -14.080 7.307 1.392 1.00 14.02 H new ATOM 0 HE3 LYS A 52 -13.810 5.946 2.463 1.00 14.02 H new ATOM 0 HZ1 LYS A 52 -16.146 6.514 2.339 1.00 34.42 H new ATOM 0 HZ2 LYS A 52 -15.569 6.774 3.914 1.00 34.42 H new ATOM 0 HZ3 LYS A 52 -15.831 8.093 2.877 1.00 34.42 H new ATOM 864 N ASN A 53 -10.117 7.107 -1.164 1.00 21.44 N ATOM 865 CA ASN A 53 -10.511 7.439 -2.528 1.00 11.14 C ATOM 866 C ASN A 53 -9.722 8.638 -3.044 1.00 43.43 C ATOM 867 O ASN A 53 -10.291 9.574 -3.605 1.00 52.14 O ATOM 868 CB ASN A 53 -12.011 7.737 -2.589 1.00 1.15 C ATOM 869 CG ASN A 53 -12.551 7.694 -4.005 1.00 4.35 C ATOM 870 OD1 ASN A 53 -13.050 8.695 -4.522 1.00 21.11 O ATOM 871 ND2 ASN A 53 -12.452 6.534 -4.641 1.00 54.03 N ATOM 0 H ASN A 53 -9.681 6.190 -1.062 1.00 21.44 H new ATOM 0 HA ASN A 53 -10.292 6.581 -3.163 1.00 11.14 H new ATOM 0 HB2 ASN A 53 -12.548 7.013 -1.976 1.00 1.15 H new ATOM 0 HB3 ASN A 53 -12.201 8.721 -2.160 1.00 1.15 H new ATOM 0 HD21 ASN A 53 -12.797 6.445 -5.597 1.00 54.03 H new ATOM 0 HD22 ASN A 53 -12.031 5.731 -4.174 1.00 54.03 H new ATOM 878 N GLU A 54 -8.407 8.602 -2.852 1.00 72.40 N ATOM 879 CA GLU A 54 -7.539 9.685 -3.299 1.00 10.00 C ATOM 880 C GLU A 54 -6.507 9.178 -4.303 1.00 74.32 C ATOM 881 O GLU A 54 -5.851 8.162 -4.074 1.00 4.31 O ATOM 882 CB GLU A 54 -6.831 10.327 -2.104 1.00 0.42 C ATOM 883 CG GLU A 54 -5.986 11.534 -2.475 1.00 42.22 C ATOM 884 CD GLU A 54 -6.752 12.838 -2.369 1.00 25.40 C ATOM 885 OE1 GLU A 54 -7.643 13.074 -3.212 1.00 73.31 O ATOM 886 OE2 GLU A 54 -6.458 13.624 -1.443 1.00 15.21 O ATOM 0 H GLU A 54 -7.920 7.834 -2.390 1.00 72.40 H new ATOM 0 HA GLU A 54 -8.160 10.434 -3.790 1.00 10.00 H new ATOM 0 HB2 GLU A 54 -7.577 10.628 -1.369 1.00 0.42 H new ATOM 0 HB3 GLU A 54 -6.195 9.582 -1.626 1.00 0.42 H new ATOM 0 HG2 GLU A 54 -5.113 11.576 -1.823 1.00 42.22 H new ATOM 0 HG3 GLU A 54 -5.618 11.415 -3.494 1.00 42.22 H new ATOM 893 N ARG A 55 -6.374 9.891 -5.416 1.00 63.43 N ATOM 894 CA ARG A 55 -5.425 9.512 -6.455 1.00 5.53 C ATOM 895 C ARG A 55 -4.275 10.514 -6.535 1.00 34.11 C ATOM 896 O ARG A 55 -4.441 11.692 -6.215 1.00 32.33 O ATOM 897 CB ARG A 55 -6.129 9.422 -7.811 1.00 24.44 C ATOM 898 CG ARG A 55 -7.181 10.498 -8.023 1.00 75.34 C ATOM 899 CD ARG A 55 -6.555 11.880 -8.109 1.00 52.34 C ATOM 900 NE ARG A 55 -7.257 12.741 -9.060 1.00 20.31 N ATOM 901 CZ ARG A 55 -7.127 12.640 -10.377 1.00 64.01 C ATOM 902 NH1 ARG A 55 -6.326 11.721 -10.899 1.00 61.33 N ATOM 903 NH2 ARG A 55 -7.798 13.459 -11.176 1.00 3.31 N ATOM 0 H ARG A 55 -6.911 10.734 -5.621 1.00 63.43 H new ATOM 0 HA ARG A 55 -5.017 8.535 -6.198 1.00 5.53 H new ATOM 0 HB2 ARG A 55 -5.384 9.493 -8.603 1.00 24.44 H new ATOM 0 HB3 ARG A 55 -6.599 8.443 -7.903 1.00 24.44 H new ATOM 0 HG2 ARG A 55 -7.735 10.291 -8.938 1.00 75.34 H new ATOM 0 HG3 ARG A 55 -7.899 10.473 -7.203 1.00 75.34 H new ATOM 0 HD2 ARG A 55 -6.565 12.345 -7.123 1.00 52.34 H new ATOM 0 HD3 ARG A 55 -5.511 11.787 -8.407 1.00 52.34 H new ATOM 0 HE ARG A 55 -7.881 13.459 -8.691 1.00 20.31 H new ATOM 0 HH11 ARG A 55 -5.808 11.090 -10.288 1.00 61.33 H new ATOM 0 HH12 ARG A 55 -6.228 11.646 -11.911 1.00 61.33 H new ATOM 0 HH21 ARG A 55 -8.415 14.167 -10.778 1.00 3.31 H new ATOM 0 HH22 ARG A 55 -7.697 13.380 -12.188 1.00 3.31 H new ATOM 917 N LEU A 56 -3.111 10.038 -6.960 1.00 12.34 N ATOM 918 CA LEU A 56 -1.933 10.891 -7.080 1.00 13.10 C ATOM 919 C LEU A 56 -1.053 10.444 -8.242 1.00 42.43 C ATOM 920 O LEU A 56 -1.324 9.428 -8.884 1.00 4.20 O ATOM 921 CB LEU A 56 -1.130 10.870 -5.780 1.00 21.45 C ATOM 922 CG LEU A 56 -1.477 11.954 -4.757 1.00 15.31 C ATOM 923 CD1 LEU A 56 -2.674 11.532 -3.919 1.00 32.42 C ATOM 924 CD2 LEU A 56 -0.280 12.254 -3.869 1.00 74.31 C ATOM 0 H LEU A 56 -2.957 9.066 -7.228 1.00 12.34 H new ATOM 0 HA LEU A 56 -2.270 11.909 -7.275 1.00 13.10 H new ATOM 0 HB2 LEU A 56 -1.266 9.897 -5.308 1.00 21.45 H new ATOM 0 HB3 LEU A 56 -0.072 10.959 -6.028 1.00 21.45 H new ATOM 0 HG LEU A 56 -1.739 12.865 -5.296 1.00 15.31 H new ATOM 0 HD11 LEU A 56 -2.907 12.315 -3.197 1.00 32.42 H new ATOM 0 HD12 LEU A 56 -3.534 11.370 -4.569 1.00 32.42 H new ATOM 0 HD13 LEU A 56 -2.440 10.608 -3.390 1.00 32.42 H new ATOM 0 HD21 LEU A 56 -0.546 13.027 -3.148 1.00 74.31 H new ATOM 0 HD22 LEU A 56 0.015 11.349 -3.338 1.00 74.31 H new ATOM 0 HD23 LEU A 56 0.551 12.601 -4.483 1.00 74.31 H new ATOM 936 N TRP A 57 0.002 11.206 -8.506 1.00 73.15 N ATOM 937 CA TRP A 57 0.924 10.887 -9.590 1.00 73.31 C ATOM 938 C TRP A 57 2.061 10.000 -9.094 1.00 11.01 C ATOM 939 O TRP A 57 2.882 10.424 -8.280 1.00 1.02 O ATOM 940 CB TRP A 57 1.490 12.170 -10.201 1.00 53.12 C ATOM 941 CG TRP A 57 0.545 12.843 -11.150 1.00 45.32 C ATOM 942 CD1 TRP A 57 0.684 12.951 -12.504 1.00 71.03 C ATOM 943 CD2 TRP A 57 -0.681 13.500 -10.816 1.00 34.10 C ATOM 944 NE1 TRP A 57 -0.383 13.638 -13.032 1.00 31.42 N ATOM 945 CE2 TRP A 57 -1.235 13.985 -12.017 1.00 72.21 C ATOM 946 CE3 TRP A 57 -1.367 13.726 -9.620 1.00 30.30 C ATOM 947 CZ2 TRP A 57 -2.440 14.681 -12.053 1.00 61.00 C ATOM 948 CZ3 TRP A 57 -2.563 14.418 -9.657 1.00 52.53 C ATOM 949 CH2 TRP A 57 -3.090 14.887 -10.867 1.00 42.21 C ATOM 0 H TRP A 57 0.240 12.049 -7.984 1.00 73.15 H new ATOM 0 HA TRP A 57 0.371 10.343 -10.355 1.00 73.31 H new ATOM 0 HB2 TRP A 57 1.745 12.864 -9.400 1.00 53.12 H new ATOM 0 HB3 TRP A 57 2.416 11.936 -10.726 1.00 53.12 H new ATOM 0 HD1 TRP A 57 1.510 12.555 -13.076 1.00 71.03 H new ATOM 0 HE1 TRP A 57 -0.518 13.854 -14.020 1.00 31.42 H new ATOM 0 HE3 TRP A 57 -0.970 13.366 -8.682 1.00 30.30 H new ATOM 0 HZ2 TRP A 57 -2.847 15.046 -12.984 1.00 61.00 H new ATOM 0 HZ3 TRP A 57 -3.100 14.600 -8.738 1.00 52.53 H new ATOM 0 HH2 TRP A 57 -4.028 15.422 -10.864 1.00 42.21 H new ATOM 960 N LEU A 58 2.105 8.768 -9.590 1.00 24.15 N ATOM 961 CA LEU A 58 3.143 7.823 -9.197 1.00 71.52 C ATOM 962 C LEU A 58 4.514 8.284 -9.681 1.00 53.40 C ATOM 963 O LEU A 58 4.714 8.516 -10.875 1.00 63.13 O ATOM 964 CB LEU A 58 2.832 6.433 -9.756 1.00 72.23 C ATOM 965 CG LEU A 58 2.581 5.334 -8.723 1.00 30.12 C ATOM 966 CD1 LEU A 58 2.447 3.981 -9.405 1.00 12.35 C ATOM 967 CD2 LEU A 58 3.700 5.305 -7.691 1.00 32.14 C ATOM 0 H LEU A 58 1.434 8.401 -10.265 1.00 24.15 H new ATOM 0 HA LEU A 58 3.162 7.775 -8.108 1.00 71.52 H new ATOM 0 HB2 LEU A 58 1.953 6.509 -10.396 1.00 72.23 H new ATOM 0 HB3 LEU A 58 3.663 6.124 -10.390 1.00 72.23 H new ATOM 0 HG LEU A 58 1.645 5.553 -8.208 1.00 30.12 H new ATOM 0 HD11 LEU A 58 2.269 3.211 -8.654 1.00 12.35 H new ATOM 0 HD12 LEU A 58 1.611 4.007 -10.104 1.00 12.35 H new ATOM 0 HD13 LEU A 58 3.365 3.754 -9.947 1.00 12.35 H new ATOM 0 HD21 LEU A 58 3.504 4.517 -6.964 1.00 32.14 H new ATOM 0 HD22 LEU A 58 4.650 5.111 -8.189 1.00 32.14 H new ATOM 0 HD23 LEU A 58 3.748 6.266 -7.180 1.00 32.14 H new ATOM 979 N LEU A 59 5.452 8.413 -8.752 1.00 71.24 N ATOM 980 CA LEU A 59 6.806 8.845 -9.085 1.00 15.32 C ATOM 981 C LEU A 59 7.754 7.652 -9.161 1.00 23.23 C ATOM 982 O LEU A 59 8.185 7.257 -10.243 1.00 45.24 O ATOM 983 CB LEU A 59 7.312 9.849 -8.048 1.00 33.13 C ATOM 984 CG LEU A 59 6.484 11.123 -7.889 1.00 32.05 C ATOM 985 CD1 LEU A 59 7.184 12.104 -6.960 1.00 52.40 C ATOM 986 CD2 LEU A 59 6.224 11.765 -9.245 1.00 70.25 C ATOM 0 H LEU A 59 5.302 8.225 -7.761 1.00 71.24 H new ATOM 0 HA LEU A 59 6.778 9.326 -10.063 1.00 15.32 H new ATOM 0 HB2 LEU A 59 7.361 9.349 -7.081 1.00 33.13 H new ATOM 0 HB3 LEU A 59 8.331 10.132 -8.313 1.00 33.13 H new ATOM 0 HG LEU A 59 5.525 10.855 -7.446 1.00 32.05 H new ATOM 0 HD11 LEU A 59 6.579 13.005 -6.859 1.00 52.40 H new ATOM 0 HD12 LEU A 59 7.318 11.645 -5.980 1.00 52.40 H new ATOM 0 HD13 LEU A 59 8.158 12.365 -7.374 1.00 52.40 H new ATOM 0 HD21 LEU A 59 5.633 12.671 -9.111 1.00 70.25 H new ATOM 0 HD22 LEU A 59 7.174 12.018 -9.716 1.00 70.25 H new ATOM 0 HD23 LEU A 59 5.679 11.066 -9.880 1.00 70.25 H new ATOM 998 N ASP A 60 8.073 7.083 -8.003 1.00 3.44 N ATOM 999 CA ASP A 60 8.970 5.935 -7.938 1.00 73.54 C ATOM 1000 C ASP A 60 8.430 4.880 -6.977 1.00 21.22 C ATOM 1001 O ASP A 60 8.377 5.097 -5.766 1.00 1.21 O ATOM 1002 CB ASP A 60 10.367 6.374 -7.500 1.00 53.34 C ATOM 1003 CG ASP A 60 11.392 6.235 -8.611 1.00 73.43 C ATOM 1004 OD1 ASP A 60 11.162 6.795 -9.703 1.00 11.44 O ATOM 1005 OD2 ASP A 60 12.422 5.568 -8.386 1.00 70.02 O ATOM 0 H ASP A 60 7.724 7.398 -7.098 1.00 3.44 H new ATOM 0 HA ASP A 60 9.033 5.497 -8.934 1.00 73.54 H new ATOM 0 HB2 ASP A 60 10.332 7.412 -7.170 1.00 53.34 H new ATOM 0 HB3 ASP A 60 10.680 5.777 -6.643 1.00 53.34 H new ATOM 1011 N ASP A 61 8.030 3.736 -7.523 1.00 41.22 N ATOM 1012 CA ASP A 61 7.496 2.648 -6.714 1.00 52.03 C ATOM 1013 C ASP A 61 8.331 1.383 -6.885 1.00 72.12 C ATOM 1014 O ASP A 61 7.956 0.476 -7.628 1.00 22.30 O ATOM 1015 CB ASP A 61 6.040 2.368 -7.095 1.00 22.43 C ATOM 1016 CG ASP A 61 5.775 2.593 -8.570 1.00 21.00 C ATOM 1017 OD1 ASP A 61 5.596 1.597 -9.301 1.00 63.33 O ATOM 1018 OD2 ASP A 61 5.743 3.768 -8.994 1.00 42.24 O ATOM 0 H ASP A 61 8.066 3.539 -8.523 1.00 41.22 H new ATOM 0 HA ASP A 61 7.539 2.951 -5.668 1.00 52.03 H new ATOM 0 HB2 ASP A 61 5.791 1.339 -6.837 1.00 22.43 H new ATOM 0 HB3 ASP A 61 5.384 3.011 -6.509 1.00 22.43 H new ATOM 1024 N SER A 62 9.465 1.330 -6.193 1.00 1.12 N ATOM 1025 CA SER A 62 10.355 0.179 -6.273 1.00 70.22 C ATOM 1026 C SER A 62 10.353 -0.601 -4.961 1.00 0.43 C ATOM 1027 O SER A 62 10.187 -1.822 -4.951 1.00 3.13 O ATOM 1028 CB SER A 62 11.778 0.630 -6.607 1.00 40.45 C ATOM 1029 OG SER A 62 12.074 0.409 -7.975 1.00 3.00 O ATOM 0 H SER A 62 9.788 2.071 -5.571 1.00 1.12 H new ATOM 0 HA SER A 62 9.992 -0.475 -7.066 1.00 70.22 H new ATOM 0 HB2 SER A 62 11.892 1.689 -6.373 1.00 40.45 H new ATOM 0 HB3 SER A 62 12.490 0.088 -5.985 1.00 40.45 H new ATOM 0 HG SER A 62 12.988 0.707 -8.164 1.00 3.00 H new ATOM 1035 N LYS A 63 10.536 0.113 -3.855 1.00 73.33 N ATOM 1036 CA LYS A 63 10.555 -0.510 -2.537 1.00 13.33 C ATOM 1037 C LYS A 63 9.146 -0.603 -1.960 1.00 32.35 C ATOM 1038 O LYS A 63 8.181 -0.137 -2.568 1.00 11.30 O ATOM 1039 CB LYS A 63 11.455 0.285 -1.588 1.00 31.21 C ATOM 1040 CG LYS A 63 12.907 -0.161 -1.611 1.00 14.52 C ATOM 1041 CD LYS A 63 13.774 0.720 -0.728 1.00 72.43 C ATOM 1042 CE LYS A 63 13.964 0.110 0.652 1.00 73.32 C ATOM 1043 NZ LYS A 63 15.395 0.092 1.059 1.00 62.14 N ATOM 0 H LYS A 63 10.673 1.124 -3.846 1.00 73.33 H new ATOM 0 HA LYS A 63 10.952 -1.519 -2.644 1.00 13.33 H new ATOM 0 HB2 LYS A 63 11.404 1.341 -1.852 1.00 31.21 H new ATOM 0 HB3 LYS A 63 11.071 0.191 -0.572 1.00 31.21 H new ATOM 0 HG2 LYS A 63 12.976 -1.195 -1.275 1.00 14.52 H new ATOM 0 HG3 LYS A 63 13.281 -0.133 -2.634 1.00 14.52 H new ATOM 0 HD2 LYS A 63 14.746 0.866 -1.200 1.00 72.43 H new ATOM 0 HD3 LYS A 63 13.316 1.704 -0.632 1.00 72.43 H new ATOM 0 HE2 LYS A 63 13.386 0.677 1.382 1.00 73.32 H new ATOM 0 HE3 LYS A 63 13.573 -0.907 0.656 1.00 73.32 H new ATOM 0 HZ1 LYS A 63 15.482 -0.331 2.005 1.00 62.14 H new ATOM 0 HZ2 LYS A 63 15.943 -0.470 0.377 1.00 62.14 H new ATOM 0 HZ3 LYS A 63 15.762 1.065 1.080 1.00 62.14 H new ATOM 1057 N THR A 64 9.032 -1.206 -0.781 1.00 23.52 N ATOM 1058 CA THR A 64 7.741 -1.359 -0.122 1.00 23.45 C ATOM 1059 C THR A 64 6.959 -0.051 -0.136 1.00 33.42 C ATOM 1060 O THR A 64 5.743 -0.048 -0.329 1.00 21.03 O ATOM 1061 CB THR A 64 7.908 -1.828 1.336 1.00 13.14 C ATOM 1062 OG1 THR A 64 6.721 -1.539 2.083 1.00 1.53 O ATOM 1063 CG2 THR A 64 9.103 -1.151 1.991 1.00 12.23 C ATOM 0 H THR A 64 9.819 -1.597 -0.263 1.00 23.52 H new ATOM 0 HA THR A 64 7.189 -2.116 -0.679 1.00 23.45 H new ATOM 0 HB THR A 64 8.080 -2.904 1.329 1.00 13.14 H new ATOM 0 HG1 THR A 64 5.938 -1.869 1.594 1.00 1.53 H new ATOM 0 HG21 THR A 64 9.200 -1.499 3.020 1.00 12.23 H new ATOM 0 HG22 THR A 64 10.009 -1.398 1.438 1.00 12.23 H new ATOM 0 HG23 THR A 64 8.957 -0.071 1.985 1.00 12.23 H new ATOM 1071 N TRP A 65 7.661 1.056 0.069 1.00 3.50 N ATOM 1072 CA TRP A 65 7.030 2.372 0.078 1.00 74.23 C ATOM 1073 C TRP A 65 7.118 3.027 -1.296 1.00 13.11 C ATOM 1074 O TRP A 65 8.152 2.964 -1.959 1.00 24.10 O ATOM 1075 CB TRP A 65 7.688 3.268 1.128 1.00 42.53 C ATOM 1076 CG TRP A 65 7.183 3.026 2.518 1.00 41.40 C ATOM 1077 CD1 TRP A 65 7.339 1.891 3.260 1.00 32.41 C ATOM 1078 CD2 TRP A 65 6.439 3.942 3.330 1.00 61.54 C ATOM 1079 NE1 TRP A 65 6.736 2.045 4.486 1.00 74.11 N ATOM 1080 CE2 TRP A 65 6.178 3.293 4.554 1.00 50.11 C ATOM 1081 CE3 TRP A 65 5.972 5.244 3.144 1.00 34.35 C ATOM 1082 CZ2 TRP A 65 5.468 3.907 5.582 1.00 75.32 C ATOM 1083 CZ3 TRP A 65 5.266 5.852 4.166 1.00 63.44 C ATOM 1084 CH2 TRP A 65 5.022 5.183 5.373 1.00 75.40 C ATOM 0 H TRP A 65 8.668 1.070 0.231 1.00 3.50 H new ATOM 0 HA TRP A 65 5.978 2.242 0.330 1.00 74.23 H new ATOM 0 HB2 TRP A 65 8.766 3.107 1.108 1.00 42.53 H new ATOM 0 HB3 TRP A 65 7.516 4.311 0.864 1.00 42.53 H new ATOM 0 HD1 TRP A 65 7.859 1.003 2.932 1.00 32.41 H new ATOM 0 HE1 TRP A 65 6.709 1.343 5.225 1.00 74.11 H new ATOM 0 HE3 TRP A 65 6.159 5.768 2.218 1.00 34.35 H new ATOM 0 HZ2 TRP A 65 5.276 3.394 6.513 1.00 75.32 H new ATOM 0 HZ3 TRP A 65 4.897 6.858 4.032 1.00 63.44 H new ATOM 0 HH2 TRP A 65 4.471 5.685 6.154 1.00 75.40 H new ATOM 1095 N TRP A 66 6.025 3.654 -1.717 1.00 51.24 N ATOM 1096 CA TRP A 66 5.980 4.321 -3.013 1.00 1.14 C ATOM 1097 C TRP A 66 5.877 5.833 -2.843 1.00 13.24 C ATOM 1098 O TRP A 66 5.347 6.320 -1.845 1.00 32.15 O ATOM 1099 CB TRP A 66 4.796 3.806 -3.834 1.00 22.14 C ATOM 1100 CG TRP A 66 4.840 2.328 -4.075 1.00 54.44 C ATOM 1101 CD1 TRP A 66 5.895 1.491 -3.847 1.00 54.02 C ATOM 1102 CD2 TRP A 66 3.785 1.512 -4.598 1.00 1.20 C ATOM 1103 NE1 TRP A 66 5.559 0.204 -4.194 1.00 43.13 N ATOM 1104 CE2 TRP A 66 4.269 0.192 -4.657 1.00 21.50 C ATOM 1105 CE3 TRP A 66 2.478 1.770 -5.019 1.00 40.14 C ATOM 1106 CZ2 TRP A 66 3.491 -0.866 -5.120 1.00 71.12 C ATOM 1107 CZ3 TRP A 66 1.707 0.720 -5.480 1.00 60.54 C ATOM 1108 CH2 TRP A 66 2.215 -0.585 -5.527 1.00 72.24 C ATOM 0 H TRP A 66 5.160 3.714 -1.181 1.00 51.24 H new ATOM 0 HA TRP A 66 6.906 4.095 -3.543 1.00 1.14 H new ATOM 0 HB2 TRP A 66 3.869 4.055 -3.318 1.00 22.14 H new ATOM 0 HB3 TRP A 66 4.776 4.323 -4.793 1.00 22.14 H new ATOM 0 HD1 TRP A 66 6.853 1.796 -3.452 1.00 54.02 H new ATOM 0 HE1 TRP A 66 6.170 -0.609 -4.119 1.00 43.13 H new ATOM 0 HE3 TRP A 66 2.077 2.772 -4.985 1.00 40.14 H new ATOM 0 HZ2 TRP A 66 3.881 -1.873 -5.157 1.00 71.12 H new ATOM 0 HZ3 TRP A 66 0.696 0.908 -5.810 1.00 60.54 H new ATOM 0 HH2 TRP A 66 1.587 -1.385 -5.892 1.00 72.24 H new ATOM 1119 N ARG A 67 6.386 6.570 -3.826 1.00 32.32 N ATOM 1120 CA ARG A 67 6.351 8.027 -3.784 1.00 22.23 C ATOM 1121 C ARG A 67 5.449 8.581 -4.883 1.00 25.14 C ATOM 1122 O ARG A 67 5.617 8.260 -6.058 1.00 53.34 O ATOM 1123 CB ARG A 67 7.764 8.596 -3.932 1.00 10.03 C ATOM 1124 CG ARG A 67 7.793 10.097 -4.174 1.00 33.31 C ATOM 1125 CD ARG A 67 9.009 10.741 -3.526 1.00 10.24 C ATOM 1126 NE ARG A 67 8.788 11.024 -2.110 1.00 12.10 N ATOM 1127 CZ ARG A 67 9.501 11.904 -1.416 1.00 64.40 C ATOM 1128 NH1 ARG A 67 10.476 12.583 -2.004 1.00 43.42 N ATOM 1129 NH2 ARG A 67 9.240 12.105 -0.131 1.00 70.52 N ATOM 0 H ARG A 67 6.827 6.182 -4.660 1.00 32.32 H new ATOM 0 HA ARG A 67 5.945 8.329 -2.819 1.00 22.23 H new ATOM 0 HB2 ARG A 67 8.334 8.371 -3.031 1.00 10.03 H new ATOM 0 HB3 ARG A 67 8.264 8.093 -4.760 1.00 10.03 H new ATOM 0 HG2 ARG A 67 7.803 10.294 -5.246 1.00 33.31 H new ATOM 0 HG3 ARG A 67 6.885 10.549 -3.776 1.00 33.31 H new ATOM 0 HD2 ARG A 67 9.870 10.081 -3.634 1.00 10.24 H new ATOM 0 HD3 ARG A 67 9.250 11.667 -4.048 1.00 10.24 H new ATOM 0 HE ARG A 67 8.045 10.518 -1.628 1.00 12.10 H new ATOM 0 HH11 ARG A 67 10.680 12.430 -2.992 1.00 43.42 H new ATOM 0 HH12 ARG A 67 11.022 13.258 -1.469 1.00 43.42 H new ATOM 0 HH21 ARG A 67 8.491 11.584 0.325 1.00 70.52 H new ATOM 0 HH22 ARG A 67 9.788 12.781 0.401 1.00 70.52 H new ATOM 1143 N VAL A 68 4.492 9.417 -4.490 1.00 32.10 N ATOM 1144 CA VAL A 68 3.564 10.017 -5.442 1.00 51.23 C ATOM 1145 C VAL A 68 3.419 11.515 -5.198 1.00 74.45 C ATOM 1146 O VAL A 68 3.906 12.040 -4.196 1.00 14.33 O ATOM 1147 CB VAL A 68 2.175 9.357 -5.362 1.00 12.43 C ATOM 1148 CG1 VAL A 68 2.267 7.876 -5.700 1.00 3.53 C ATOM 1149 CG2 VAL A 68 1.566 9.561 -3.983 1.00 63.12 C ATOM 0 H VAL A 68 4.339 9.694 -3.520 1.00 32.10 H new ATOM 0 HA VAL A 68 3.979 9.853 -6.436 1.00 51.23 H new ATOM 0 HB VAL A 68 1.523 9.833 -6.095 1.00 12.43 H new ATOM 0 HG11 VAL A 68 1.276 7.426 -5.638 1.00 3.53 H new ATOM 0 HG12 VAL A 68 2.657 7.757 -6.711 1.00 3.53 H new ATOM 0 HG13 VAL A 68 2.934 7.382 -4.993 1.00 3.53 H new ATOM 0 HG21 VAL A 68 0.585 9.088 -3.945 1.00 63.12 H new ATOM 0 HG22 VAL A 68 2.214 9.114 -3.229 1.00 63.12 H new ATOM 0 HG23 VAL A 68 1.462 10.628 -3.785 1.00 63.12 H new ATOM 1159 N ARG A 69 2.745 12.196 -6.118 1.00 30.43 N ATOM 1160 CA ARG A 69 2.534 13.634 -6.003 1.00 70.44 C ATOM 1161 C ARG A 69 1.049 13.973 -6.074 1.00 5.41 C ATOM 1162 O ARG A 69 0.264 13.245 -6.677 1.00 41.25 O ATOM 1163 CB ARG A 69 3.292 14.372 -7.110 1.00 33.42 C ATOM 1164 CG ARG A 69 3.456 15.859 -6.847 1.00 44.23 C ATOM 1165 CD ARG A 69 3.965 16.590 -8.080 1.00 54.21 C ATOM 1166 NE ARG A 69 5.247 16.062 -8.539 1.00 10.11 N ATOM 1167 CZ ARG A 69 5.799 16.386 -9.704 1.00 44.03 C ATOM 1168 NH1 ARG A 69 5.186 17.229 -10.521 1.00 73.31 N ATOM 1169 NH2 ARG A 69 6.969 15.864 -10.051 1.00 30.34 N ATOM 0 H ARG A 69 2.335 11.775 -6.952 1.00 30.43 H new ATOM 0 HA ARG A 69 2.916 13.956 -5.034 1.00 70.44 H new ATOM 0 HB2 ARG A 69 4.278 13.921 -7.227 1.00 33.42 H new ATOM 0 HB3 ARG A 69 2.765 14.234 -8.054 1.00 33.42 H new ATOM 0 HG2 ARG A 69 2.500 16.283 -6.540 1.00 44.23 H new ATOM 0 HG3 ARG A 69 4.151 16.009 -6.021 1.00 44.23 H new ATOM 0 HD2 ARG A 69 3.230 16.505 -8.881 1.00 54.21 H new ATOM 0 HD3 ARG A 69 4.070 17.651 -7.855 1.00 54.21 H new ATOM 0 HE ARG A 69 5.745 15.410 -7.933 1.00 10.11 H new ATOM 0 HH11 ARG A 69 4.287 17.632 -10.257 1.00 73.31 H new ATOM 0 HH12 ARG A 69 5.613 17.475 -11.414 1.00 73.31 H new ATOM 0 HH21 ARG A 69 7.444 15.215 -9.424 1.00 30.34 H new ATOM 0 HH22 ARG A 69 7.393 16.112 -10.945 1.00 30.34 H new ATOM 1183 N ASN A 70 0.672 15.086 -5.452 1.00 42.11 N ATOM 1184 CA ASN A 70 -0.720 15.522 -5.444 1.00 14.32 C ATOM 1185 C ASN A 70 -0.904 16.775 -6.297 1.00 54.05 C ATOM 1186 O ASN A 70 0.044 17.259 -6.915 1.00 4.52 O ATOM 1187 CB ASN A 70 -1.182 15.798 -4.011 1.00 52.14 C ATOM 1188 CG ASN A 70 -0.057 16.302 -3.128 1.00 70.52 C ATOM 1189 OD1 ASN A 70 0.196 15.756 -2.054 1.00 32.23 O ATOM 1190 ND2 ASN A 70 0.625 17.348 -3.579 1.00 14.12 N ATOM 0 H ASN A 70 1.310 15.702 -4.948 1.00 42.11 H new ATOM 0 HA ASN A 70 -1.326 14.722 -5.868 1.00 14.32 H new ATOM 0 HB2 ASN A 70 -1.986 16.534 -4.027 1.00 52.14 H new ATOM 0 HB3 ASN A 70 -1.595 14.885 -3.583 1.00 52.14 H new ATOM 0 HD21 ASN A 70 1.394 17.731 -3.029 1.00 14.12 H new ATOM 0 HD22 ASN A 70 0.380 17.769 -4.475 1.00 14.12 H new ATOM 1197 N ALA A 71 -2.127 17.290 -6.326 1.00 53.40 N ATOM 1198 CA ALA A 71 -2.434 18.486 -7.102 1.00 75.44 C ATOM 1199 C ALA A 71 -1.768 19.717 -6.499 1.00 2.12 C ATOM 1200 O ALA A 71 -1.773 20.793 -7.096 1.00 52.14 O ATOM 1201 CB ALA A 71 -3.941 18.686 -7.188 1.00 5.35 C ATOM 0 H ALA A 71 -2.922 16.899 -5.821 1.00 53.40 H new ATOM 0 HA ALA A 71 -2.039 18.349 -8.108 1.00 75.44 H new ATOM 0 HB1 ALA A 71 -4.156 19.582 -7.770 1.00 5.35 H new ATOM 0 HB2 ALA A 71 -4.396 17.821 -7.671 1.00 5.35 H new ATOM 0 HB3 ALA A 71 -4.351 18.798 -6.184 1.00 5.35 H new ATOM 1207 N ALA A 72 -1.194 19.553 -5.311 1.00 74.34 N ATOM 1208 CA ALA A 72 -0.523 20.651 -4.628 1.00 22.34 C ATOM 1209 C ALA A 72 0.899 20.832 -5.146 1.00 14.11 C ATOM 1210 O ALA A 72 1.663 21.641 -4.621 1.00 50.53 O ATOM 1211 CB ALA A 72 -0.512 20.410 -3.125 1.00 42.33 C ATOM 0 H ALA A 72 -1.181 18.669 -4.802 1.00 74.34 H new ATOM 0 HA ALA A 72 -1.077 21.567 -4.834 1.00 22.34 H new ATOM 0 HB1 ALA A 72 -0.008 21.238 -2.627 1.00 42.33 H new ATOM 0 HB2 ALA A 72 -1.537 20.338 -2.761 1.00 42.33 H new ATOM 0 HB3 ALA A 72 0.016 19.481 -2.909 1.00 42.33 H new ATOM 1217 N ASN A 73 1.249 20.073 -6.181 1.00 54.01 N ATOM 1218 CA ASN A 73 2.580 20.150 -6.770 1.00 51.15 C ATOM 1219 C ASN A 73 3.640 19.675 -5.782 1.00 25.15 C ATOM 1220 O ASN A 73 4.833 19.909 -5.976 1.00 43.25 O ATOM 1221 CB ASN A 73 2.884 21.584 -7.211 1.00 35.11 C ATOM 1222 CG ASN A 73 1.642 22.320 -7.676 1.00 3.14 C ATOM 1223 OD1 ASN A 73 0.797 21.758 -8.374 1.00 45.11 O ATOM 1224 ND2 ASN A 73 1.526 23.585 -7.289 1.00 12.45 N ATOM 0 H ASN A 73 0.629 19.398 -6.628 1.00 54.01 H new ATOM 0 HA ASN A 73 2.602 19.496 -7.642 1.00 51.15 H new ATOM 0 HB2 ASN A 73 3.337 22.128 -6.382 1.00 35.11 H new ATOM 0 HB3 ASN A 73 3.616 21.566 -8.018 1.00 35.11 H new ATOM 0 HD21 ASN A 73 0.712 24.132 -7.570 1.00 12.45 H new ATOM 0 HD22 ASN A 73 2.251 24.010 -6.711 1.00 12.45 H new ATOM 1231 N ARG A 74 3.198 19.006 -4.722 1.00 15.23 N ATOM 1232 CA ARG A 74 4.108 18.499 -3.703 1.00 33.02 C ATOM 1233 C ARG A 74 4.131 16.974 -3.706 1.00 64.43 C ATOM 1234 O ARG A 74 3.130 16.326 -4.015 1.00 1.21 O ATOM 1235 CB ARG A 74 3.696 19.010 -2.321 1.00 12.52 C ATOM 1236 CG ARG A 74 4.723 18.727 -1.237 1.00 32.22 C ATOM 1237 CD ARG A 74 4.704 19.798 -0.157 1.00 33.04 C ATOM 1238 NE ARG A 74 5.940 19.818 0.619 1.00 74.24 N ATOM 1239 CZ ARG A 74 6.342 20.860 1.336 1.00 42.31 C ATOM 1240 NH1 ARG A 74 5.610 21.964 1.376 1.00 52.33 N ATOM 1241 NH2 ARG A 74 7.481 20.799 2.016 1.00 0.03 N ATOM 0 H ARG A 74 2.214 18.803 -4.547 1.00 15.23 H new ATOM 0 HA ARG A 74 5.110 18.862 -3.933 1.00 33.02 H new ATOM 0 HB2 ARG A 74 3.525 20.085 -2.376 1.00 12.52 H new ATOM 0 HB3 ARG A 74 2.748 18.551 -2.041 1.00 12.52 H new ATOM 0 HG2 ARG A 74 4.522 17.754 -0.789 1.00 32.22 H new ATOM 0 HG3 ARG A 74 5.717 18.674 -1.681 1.00 32.22 H new ATOM 0 HD2 ARG A 74 4.550 20.774 -0.618 1.00 33.04 H new ATOM 0 HD3 ARG A 74 3.860 19.624 0.511 1.00 33.04 H new ATOM 0 HE ARG A 74 6.528 18.984 0.610 1.00 74.24 H new ATOM 0 HH11 ARG A 74 4.735 22.015 0.855 1.00 52.33 H new ATOM 0 HH12 ARG A 74 5.922 22.763 1.928 1.00 52.33 H new ATOM 0 HH21 ARG A 74 8.047 19.951 1.987 1.00 0.03 H new ATOM 0 HH22 ARG A 74 7.790 21.600 2.567 1.00 0.03 H new ATOM 1255 N THR A 75 5.281 16.404 -3.361 1.00 64.45 N ATOM 1256 CA THR A 75 5.437 14.954 -3.326 1.00 25.53 C ATOM 1257 C THR A 75 5.581 14.452 -1.893 1.00 34.03 C ATOM 1258 O THR A 75 5.579 15.238 -0.947 1.00 70.33 O ATOM 1259 CB THR A 75 6.662 14.500 -4.142 1.00 15.35 C ATOM 1260 OG1 THR A 75 7.866 14.935 -3.500 1.00 70.44 O ATOM 1261 CG2 THR A 75 6.606 15.059 -5.557 1.00 34.34 C ATOM 0 H THR A 75 6.119 16.924 -3.102 1.00 64.45 H new ATOM 0 HA THR A 75 4.537 14.528 -3.770 1.00 25.53 H new ATOM 0 HB THR A 75 6.652 13.411 -4.197 1.00 15.35 H new ATOM 0 HG1 THR A 75 8.640 14.641 -4.024 1.00 70.44 H new ATOM 0 HG21 THR A 75 7.481 14.725 -6.115 1.00 34.34 H new ATOM 0 HG22 THR A 75 5.703 14.704 -6.053 1.00 34.34 H new ATOM 0 HG23 THR A 75 6.594 16.148 -5.518 1.00 34.34 H new ATOM 1269 N GLY A 76 5.705 13.137 -1.743 1.00 62.05 N ATOM 1270 CA GLY A 76 5.849 12.552 -0.423 1.00 23.33 C ATOM 1271 C GLY A 76 5.992 11.044 -0.469 1.00 74.12 C ATOM 1272 O GLY A 76 6.157 10.461 -1.541 1.00 34.14 O ATOM 0 H GLY A 76 5.708 12.467 -2.512 1.00 62.05 H new ATOM 0 HA2 GLY A 76 6.722 12.982 0.068 1.00 23.33 H new ATOM 0 HA3 GLY A 76 4.982 12.813 0.183 1.00 23.33 H new ATOM 1276 N TYR A 77 5.928 10.410 0.697 1.00 64.32 N ATOM 1277 CA TYR A 77 6.057 8.960 0.786 1.00 43.50 C ATOM 1278 C TYR A 77 4.797 8.338 1.382 1.00 60.14 C ATOM 1279 O TYR A 77 4.104 8.960 2.188 1.00 41.14 O ATOM 1280 CB TYR A 77 7.274 8.584 1.632 1.00 33.35 C ATOM 1281 CG TYR A 77 8.581 8.650 0.874 1.00 23.12 C ATOM 1282 CD1 TYR A 77 8.747 7.973 -0.326 1.00 63.14 C ATOM 1283 CD2 TYR A 77 9.651 9.393 1.359 1.00 25.34 C ATOM 1284 CE1 TYR A 77 9.940 8.030 -1.021 1.00 75.13 C ATOM 1285 CE2 TYR A 77 10.847 9.458 0.672 1.00 14.31 C ATOM 1286 CZ TYR A 77 10.986 8.775 -0.518 1.00 63.32 C ATOM 1287 OH TYR A 77 12.175 8.835 -1.207 1.00 20.11 O ATOM 0 H TYR A 77 5.788 10.877 1.593 1.00 64.32 H new ATOM 0 HA TYR A 77 6.192 8.570 -0.223 1.00 43.50 H new ATOM 0 HB2 TYR A 77 7.328 9.251 2.492 1.00 33.35 H new ATOM 0 HB3 TYR A 77 7.139 7.574 2.020 1.00 33.35 H new ATOM 0 HD1 TYR A 77 7.929 7.391 -0.724 1.00 63.14 H new ATOM 0 HD2 TYR A 77 9.545 9.929 2.290 1.00 25.34 H new ATOM 0 HE1 TYR A 77 10.053 7.495 -1.952 1.00 75.13 H new ATOM 0 HE2 TYR A 77 11.668 10.040 1.064 1.00 14.31 H new ATOM 0 HH TYR A 77 12.808 9.402 -0.719 1.00 20.11 H new ATOM 1297 N VAL A 78 4.508 7.104 0.980 1.00 74.13 N ATOM 1298 CA VAL A 78 3.333 6.395 1.475 1.00 22.52 C ATOM 1299 C VAL A 78 3.506 4.886 1.341 1.00 52.11 C ATOM 1300 O VAL A 78 4.130 4.388 0.404 1.00 41.53 O ATOM 1301 CB VAL A 78 2.060 6.824 0.722 1.00 12.20 C ATOM 1302 CG1 VAL A 78 1.523 8.132 1.283 1.00 31.54 C ATOM 1303 CG2 VAL A 78 2.339 6.949 -0.767 1.00 72.20 C ATOM 0 H VAL A 78 5.071 6.575 0.314 1.00 74.13 H new ATOM 0 HA VAL A 78 3.227 6.654 2.528 1.00 22.52 H new ATOM 0 HB VAL A 78 1.299 6.056 0.863 1.00 12.20 H new ATOM 0 HG11 VAL A 78 0.623 8.419 0.739 1.00 31.54 H new ATOM 0 HG12 VAL A 78 1.283 8.004 2.338 1.00 31.54 H new ATOM 0 HG13 VAL A 78 2.277 8.911 1.174 1.00 31.54 H new ATOM 0 HG21 VAL A 78 1.429 7.253 -1.284 1.00 72.20 H new ATOM 0 HG22 VAL A 78 3.115 7.696 -0.930 1.00 72.20 H new ATOM 0 HG23 VAL A 78 2.673 5.987 -1.157 1.00 72.20 H new ATOM 1313 N PRO A 79 2.938 4.138 2.299 1.00 62.12 N ATOM 1314 CA PRO A 79 3.015 2.674 2.310 1.00 3.12 C ATOM 1315 C PRO A 79 2.191 2.043 1.193 1.00 2.24 C ATOM 1316 O PRO A 79 0.999 2.321 1.055 1.00 71.12 O ATOM 1317 CB PRO A 79 2.438 2.299 3.678 1.00 54.11 C ATOM 1318 CG PRO A 79 1.544 3.437 4.036 1.00 70.04 C ATOM 1319 CD PRO A 79 2.180 4.665 3.446 1.00 33.23 C ATOM 0 HA PRO A 79 4.032 2.317 2.149 1.00 3.12 H new ATOM 0 HB2 PRO A 79 1.885 1.361 3.631 1.00 54.11 H new ATOM 0 HB3 PRO A 79 3.227 2.167 4.418 1.00 54.11 H new ATOM 0 HG2 PRO A 79 0.541 3.286 3.636 1.00 70.04 H new ATOM 0 HG3 PRO A 79 1.445 3.530 5.117 1.00 70.04 H new ATOM 0 HD2 PRO A 79 1.432 5.394 3.133 1.00 33.23 H new ATOM 0 HD3 PRO A 79 2.832 5.164 4.163 1.00 33.23 H new ATOM 1327 N SER A 80 2.832 1.192 0.399 1.00 41.12 N ATOM 1328 CA SER A 80 2.158 0.524 -0.708 1.00 62.15 C ATOM 1329 C SER A 80 1.029 -0.365 -0.199 1.00 53.10 C ATOM 1330 O SER A 80 0.164 -0.789 -0.965 1.00 25.42 O ATOM 1331 CB SER A 80 3.158 -0.313 -1.511 1.00 12.23 C ATOM 1332 OG SER A 80 3.605 -1.430 -0.763 1.00 21.32 O ATOM 0 H SER A 80 3.817 0.949 0.502 1.00 41.12 H new ATOM 0 HA SER A 80 1.731 1.289 -1.356 1.00 62.15 H new ATOM 0 HB2 SER A 80 2.692 -0.654 -2.436 1.00 12.23 H new ATOM 0 HB3 SER A 80 4.011 0.305 -1.793 1.00 12.23 H new ATOM 0 HG SER A 80 4.490 -1.239 -0.387 1.00 21.32 H new ATOM 1338 N ASN A 81 1.041 -0.644 1.101 1.00 45.15 N ATOM 1339 CA ASN A 81 0.019 -1.483 1.713 1.00 63.30 C ATOM 1340 C ASN A 81 -1.309 -0.739 1.809 1.00 73.51 C ATOM 1341 O ASN A 81 -2.377 -1.336 1.677 1.00 11.14 O ATOM 1342 CB ASN A 81 0.466 -1.934 3.106 1.00 2.31 C ATOM 1343 CG ASN A 81 1.226 -3.246 3.072 1.00 73.50 C ATOM 1344 OD1 ASN A 81 1.559 -3.756 2.002 1.00 64.43 O ATOM 1345 ND2 ASN A 81 1.503 -3.798 4.247 1.00 60.14 N ATOM 0 H ASN A 81 1.748 -0.300 1.751 1.00 45.15 H new ATOM 0 HA ASN A 81 -0.121 -2.361 1.082 1.00 63.30 H new ATOM 0 HB2 ASN A 81 1.096 -1.163 3.550 1.00 2.31 H new ATOM 0 HB3 ASN A 81 -0.408 -2.040 3.749 1.00 2.31 H new ATOM 0 HD21 ASN A 81 2.012 -4.681 4.288 1.00 60.14 H new ATOM 0 HD22 ASN A 81 1.207 -3.339 5.109 1.00 60.14 H new ATOM 1352 N TYR A 82 -1.234 0.567 2.041 1.00 3.44 N ATOM 1353 CA TYR A 82 -2.429 1.393 2.157 1.00 52.33 C ATOM 1354 C TYR A 82 -2.795 2.013 0.811 1.00 34.22 C ATOM 1355 O TYR A 82 -3.739 2.797 0.713 1.00 52.21 O ATOM 1356 CB TYR A 82 -2.215 2.495 3.196 1.00 4.20 C ATOM 1357 CG TYR A 82 -1.996 1.970 4.597 1.00 60.30 C ATOM 1358 CD1 TYR A 82 -2.586 0.783 5.015 1.00 23.32 C ATOM 1359 CD2 TYR A 82 -1.202 2.661 5.504 1.00 14.23 C ATOM 1360 CE1 TYR A 82 -2.390 0.300 6.296 1.00 53.30 C ATOM 1361 CE2 TYR A 82 -1.000 2.185 6.785 1.00 22.44 C ATOM 1362 CZ TYR A 82 -1.597 1.005 7.177 1.00 54.43 C ATOM 1363 OH TYR A 82 -1.398 0.529 8.451 1.00 34.30 O ATOM 0 H TYR A 82 -0.357 1.076 2.152 1.00 3.44 H new ATOM 0 HA TYR A 82 -3.251 0.754 2.479 1.00 52.33 H new ATOM 0 HB2 TYR A 82 -1.354 3.097 2.904 1.00 4.20 H new ATOM 0 HB3 TYR A 82 -3.081 3.156 3.196 1.00 4.20 H new ATOM 0 HD1 TYR A 82 -3.208 0.229 4.328 1.00 23.32 H new ATOM 0 HD2 TYR A 82 -0.734 3.587 5.202 1.00 14.23 H new ATOM 0 HE1 TYR A 82 -2.855 -0.624 6.605 1.00 53.30 H new ATOM 0 HE2 TYR A 82 -0.378 2.734 7.476 1.00 22.44 H new ATOM 0 HH TYR A 82 -1.781 -0.370 8.528 1.00 34.30 H new ATOM 1373 N VAL A 83 -2.043 1.654 -0.222 1.00 41.45 N ATOM 1374 CA VAL A 83 -2.288 2.172 -1.563 1.00 62.15 C ATOM 1375 C VAL A 83 -2.419 1.039 -2.575 1.00 75.44 C ATOM 1376 O VAL A 83 -1.991 -0.087 -2.319 1.00 12.34 O ATOM 1377 CB VAL A 83 -1.160 3.119 -2.015 1.00 25.43 C ATOM 1378 CG1 VAL A 83 -0.096 2.354 -2.788 1.00 75.54 C ATOM 1379 CG2 VAL A 83 -1.723 4.257 -2.851 1.00 63.44 C ATOM 0 H VAL A 83 -1.258 1.006 -0.157 1.00 41.45 H new ATOM 0 HA VAL A 83 -3.224 2.728 -1.520 1.00 62.15 H new ATOM 0 HB VAL A 83 -0.692 3.547 -1.128 1.00 25.43 H new ATOM 0 HG11 VAL A 83 0.692 3.040 -3.099 1.00 75.54 H new ATOM 0 HG12 VAL A 83 0.329 1.578 -2.151 1.00 75.54 H new ATOM 0 HG13 VAL A 83 -0.545 1.895 -3.669 1.00 75.54 H new ATOM 0 HG21 VAL A 83 -0.912 4.916 -3.162 1.00 63.44 H new ATOM 0 HG22 VAL A 83 -2.218 3.850 -3.733 1.00 63.44 H new ATOM 0 HG23 VAL A 83 -2.443 4.822 -2.259 1.00 63.44 H new ATOM 1389 N GLU A 84 -3.013 1.344 -3.724 1.00 4.34 N ATOM 1390 CA GLU A 84 -3.201 0.350 -4.775 1.00 64.51 C ATOM 1391 C GLU A 84 -3.444 1.023 -6.123 1.00 71.23 C ATOM 1392 O GLU A 84 -4.488 1.635 -6.344 1.00 71.21 O ATOM 1393 CB GLU A 84 -4.375 -0.570 -4.432 1.00 41.45 C ATOM 1394 CG GLU A 84 -4.181 -2.002 -4.900 1.00 51.41 C ATOM 1395 CD GLU A 84 -5.380 -2.535 -5.661 1.00 5.12 C ATOM 1396 OE1 GLU A 84 -5.691 -1.982 -6.737 1.00 35.42 O ATOM 1397 OE2 GLU A 84 -6.006 -3.503 -5.181 1.00 44.23 O ATOM 0 H GLU A 84 -3.372 2.271 -3.951 1.00 4.34 H new ATOM 0 HA GLU A 84 -2.291 -0.245 -4.845 1.00 64.51 H new ATOM 0 HB2 GLU A 84 -4.525 -0.566 -3.352 1.00 41.45 H new ATOM 0 HB3 GLU A 84 -5.283 -0.169 -4.882 1.00 41.45 H new ATOM 0 HG2 GLU A 84 -3.298 -2.056 -5.537 1.00 51.41 H new ATOM 0 HG3 GLU A 84 -3.991 -2.640 -4.037 1.00 51.41 H new ATOM 1404 N ARG A 85 -2.471 0.904 -7.021 1.00 62.02 N ATOM 1405 CA ARG A 85 -2.577 1.500 -8.346 1.00 32.02 C ATOM 1406 C ARG A 85 -3.598 0.753 -9.199 1.00 24.34 C ATOM 1407 O ARG A 85 -3.923 -0.403 -8.927 1.00 62.33 O ATOM 1408 CB ARG A 85 -1.215 1.496 -9.042 1.00 63.52 C ATOM 1409 CG ARG A 85 -0.608 0.109 -9.185 1.00 15.32 C ATOM 1410 CD ARG A 85 -1.073 -0.573 -10.463 1.00 42.32 C ATOM 1411 NE ARG A 85 -1.808 -1.804 -10.192 1.00 33.41 N ATOM 1412 CZ ARG A 85 -2.032 -2.744 -11.103 1.00 60.02 C ATOM 1413 NH1 ARG A 85 -1.577 -2.593 -12.339 1.00 34.20 N ATOM 1414 NH2 ARG A 85 -2.710 -3.837 -10.778 1.00 61.00 N ATOM 0 H ARG A 85 -1.600 0.400 -6.854 1.00 62.02 H new ATOM 0 HA ARG A 85 -2.913 2.530 -8.227 1.00 32.02 H new ATOM 0 HB2 ARG A 85 -1.321 1.941 -10.031 1.00 63.52 H new ATOM 0 HB3 ARG A 85 -0.527 2.128 -8.480 1.00 63.52 H new ATOM 0 HG2 ARG A 85 0.479 0.185 -9.186 1.00 15.32 H new ATOM 0 HG3 ARG A 85 -0.884 -0.501 -8.325 1.00 15.32 H new ATOM 0 HD2 ARG A 85 -1.707 0.110 -11.028 1.00 42.32 H new ATOM 0 HD3 ARG A 85 -0.209 -0.797 -11.089 1.00 42.32 H new ATOM 0 HE ARG A 85 -2.170 -1.951 -9.250 1.00 33.41 H new ATOM 0 HH11 ARG A 85 -1.054 -1.754 -12.591 1.00 34.20 H new ATOM 0 HH12 ARG A 85 -1.750 -3.316 -13.038 1.00 34.20 H new ATOM 0 HH21 ARG A 85 -3.060 -3.956 -9.827 1.00 61.00 H new ATOM 0 HH22 ARG A 85 -2.881 -4.558 -11.479 1.00 61.00 H new ATOM 1428 N LYS A 86 -4.104 1.421 -10.231 1.00 4.22 N ATOM 1429 CA LYS A 86 -5.087 0.822 -11.124 1.00 1.45 C ATOM 1430 C LYS A 86 -4.490 0.581 -12.506 1.00 1.52 C ATOM 1431 O LYS A 86 -4.413 1.496 -13.327 1.00 55.33 O ATOM 1432 CB LYS A 86 -6.318 1.723 -11.237 1.00 15.21 C ATOM 1433 CG LYS A 86 -7.513 1.043 -11.884 1.00 12.13 C ATOM 1434 CD LYS A 86 -8.099 -0.029 -10.981 1.00 70.23 C ATOM 1435 CE LYS A 86 -8.646 -1.199 -11.787 1.00 2.22 C ATOM 1436 NZ LYS A 86 -8.249 -2.509 -11.203 1.00 21.44 N ATOM 0 H LYS A 86 -3.848 2.379 -10.469 1.00 4.22 H new ATOM 0 HA LYS A 86 -5.385 -0.139 -10.705 1.00 1.45 H new ATOM 0 HB2 LYS A 86 -6.600 2.065 -10.241 1.00 15.21 H new ATOM 0 HB3 LYS A 86 -6.057 2.609 -11.816 1.00 15.21 H new ATOM 0 HG2 LYS A 86 -8.277 1.786 -12.111 1.00 12.13 H new ATOM 0 HG3 LYS A 86 -7.210 0.597 -12.831 1.00 12.13 H new ATOM 0 HD2 LYS A 86 -7.332 -0.386 -10.293 1.00 70.23 H new ATOM 0 HD3 LYS A 86 -8.896 0.401 -10.374 1.00 70.23 H new ATOM 0 HE2 LYS A 86 -9.733 -1.135 -11.828 1.00 2.22 H new ATOM 0 HE3 LYS A 86 -8.284 -1.134 -12.813 1.00 2.22 H new ATOM 0 HZ1 LYS A 86 -8.641 -3.280 -11.781 1.00 21.44 H new ATOM 0 HZ2 LYS A 86 -7.212 -2.582 -11.187 1.00 21.44 H new ATOM 0 HZ3 LYS A 86 -8.616 -2.582 -10.233 1.00 21.44 H new