USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 80 THR OG1 : rot -130:sc= 0.476 USER MOD Set 1.2: A 91 THR OG1 : rot -164:sc= 0.724 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0512 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.092 X(o=-0.092,f=-0.52) USER MOD Single : A 5 THR OG1 : rot -179:sc= 1.26 USER MOD Single : A 9 CYS SG : rot 180:sc=-0.00601 USER MOD Single : A 11 MET CE :methyl -172:sc= -0.15 (180deg=-0.213) USER MOD Single : A 12 ASN : amide:sc= 0.978 K(o=0.98,f=-0.14) USER MOD Single : A 13 MET CE :methyl -139:sc= -2.39 (180deg=-7.54!) USER MOD Single : A 25 TYR OH : rot 166:sc= 1.2 USER MOD Single : A 36 CYS SG : rot -74:sc= -0.205 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -0.0217 (180deg=-0.0806) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.043 USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= 0.00197 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc=-5.26e-05 USER MOD Single : A 68 SER OG : rot 18:sc= 1.11 USER MOD Single : A 72 CYS SG : rot 72:sc= -0.18 USER MOD Single : A 73 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.0056) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -148:sc= -2.18! (180deg=-5.57!) USER MOD Single : A 77 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 94 CYS SG : rot -157:sc= -0.37 USER MOD Single : A 98 SER OG : rot -79:sc= 1.24 USER MOD Single : A 99 TYR OH : rot 30:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.0935 X(o=-0.093,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.097 9.927 5.243 1.00 0.00 N ATOM 2 CA GLY A 1 14.204 11.074 5.410 1.00 0.00 C ATOM 3 C GLY A 1 14.580 12.190 4.466 1.00 0.00 C ATOM 4 O GLY A 1 15.760 12.367 4.162 1.00 0.00 O ATOM 0 H1 GLY A 1 15.335 9.534 6.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.624 9.199 4.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.968 10.232 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.174 10.768 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.252 11.431 6.439 1.00 0.00 H new ATOM 8 N GLY A 2 13.590 12.933 3.981 1.00 0.00 N ATOM 9 CA GLY A 2 13.750 13.957 2.970 1.00 0.00 C ATOM 10 C GLY A 2 12.482 14.794 2.880 1.00 0.00 C ATOM 11 O GLY A 2 11.603 14.705 3.749 1.00 0.00 O ATOM 0 H GLY A 2 12.625 12.831 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.600 14.593 3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.963 13.498 2.005 1.00 0.00 H new ATOM 15 N HIS A 3 12.413 15.614 1.832 1.00 0.00 N ATOM 16 CA HIS A 3 11.303 16.515 1.548 1.00 0.00 C ATOM 17 C HIS A 3 9.964 15.764 1.469 1.00 0.00 C ATOM 18 O HIS A 3 9.943 14.599 1.064 1.00 0.00 O ATOM 19 CB HIS A 3 11.574 17.256 0.227 1.00 0.00 C ATOM 20 CG HIS A 3 11.738 16.369 -0.988 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.916 15.813 -1.429 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.772 16.059 -1.906 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.680 15.205 -2.598 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.381 15.311 -2.922 1.00 0.00 N ATOM 0 H HIS A 3 13.155 15.669 1.135 1.00 0.00 H new ATOM 0 HA HIS A 3 11.227 17.231 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.753 17.949 0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.477 17.855 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.730 16.340 -1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.427 14.702 -3.195 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.926 14.922 -3.748 1.00 0.00 H new ATOM 32 N PRO A 4 8.842 16.429 1.797 1.00 0.00 N ATOM 33 CA PRO A 4 7.512 15.932 1.490 1.00 0.00 C ATOM 34 C PRO A 4 7.292 16.009 -0.021 1.00 0.00 C ATOM 35 O PRO A 4 7.715 16.969 -0.675 1.00 0.00 O ATOM 36 CB PRO A 4 6.551 16.855 2.240 1.00 0.00 C ATOM 37 CG PRO A 4 7.299 18.184 2.242 1.00 0.00 C ATOM 38 CD PRO A 4 8.762 17.766 2.365 1.00 0.00 C ATOM 0 HA PRO A 4 7.363 14.894 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.588 16.933 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.354 16.499 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.118 18.748 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.991 18.817 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.412 18.458 1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.083 17.768 3.407 1.00 0.00 H new ATOM 46 N THR A 5 6.601 15.016 -0.553 1.00 0.00 N ATOM 47 CA THR A 5 6.393 14.767 -1.969 1.00 0.00 C ATOM 48 C THR A 5 4.883 14.774 -2.234 1.00 0.00 C ATOM 49 O THR A 5 4.075 14.995 -1.323 1.00 0.00 O ATOM 50 CB THR A 5 7.059 13.412 -2.306 1.00 0.00 C ATOM 51 OG1 THR A 5 6.642 12.466 -1.338 1.00 0.00 O ATOM 52 CG2 THR A 5 8.586 13.506 -2.249 1.00 0.00 C ATOM 0 H THR A 5 6.141 14.317 0.030 1.00 0.00 H new ATOM 0 HA THR A 5 6.841 15.530 -2.606 1.00 0.00 H new ATOM 0 HB THR A 5 6.766 13.122 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.066 11.602 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.020 12.536 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.932 14.248 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.895 13.801 -1.246 1.00 0.00 H new ATOM 60 N GLU A 6 4.488 14.547 -3.483 1.00 0.00 N ATOM 61 CA GLU A 6 3.095 14.369 -3.868 1.00 0.00 C ATOM 62 C GLU A 6 2.634 12.916 -3.623 1.00 0.00 C ATOM 63 O GLU A 6 1.543 12.567 -4.074 1.00 0.00 O ATOM 64 CB GLU A 6 2.846 14.863 -5.320 1.00 0.00 C ATOM 65 CG GLU A 6 3.526 16.220 -5.600 1.00 0.00 C ATOM 66 CD GLU A 6 2.906 17.137 -6.662 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.366 16.656 -7.681 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.955 18.379 -6.447 1.00 0.00 O ATOM 0 H GLU A 6 5.138 14.481 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 6 2.473 14.995 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.220 14.119 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.773 14.954 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.562 16.774 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.557 16.021 -5.893 1.00 0.00 H new ATOM 75 N VAL A 7 3.403 12.050 -2.944 1.00 0.00 N ATOM 76 CA VAL A 7 3.058 10.658 -2.709 1.00 0.00 C ATOM 77 C VAL A 7 3.237 10.308 -1.229 1.00 0.00 C ATOM 78 O VAL A 7 4.057 10.910 -0.530 1.00 0.00 O ATOM 79 CB VAL A 7 3.900 9.752 -3.633 1.00 0.00 C ATOM 80 CG1 VAL A 7 3.983 10.285 -5.068 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.294 9.327 -3.211 1.00 0.00 C ATOM 0 H VAL A 7 4.301 12.314 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 7 2.008 10.492 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 7 3.306 8.842 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.587 9.609 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.980 10.352 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.441 11.274 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.731 8.695 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.917 10.210 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.237 8.770 -2.276 1.00 0.00 H new ATOM 91 N LEU A 8 2.553 9.265 -0.761 1.00 0.00 N ATOM 92 CA LEU A 8 2.683 8.754 0.599 1.00 0.00 C ATOM 93 C LEU A 8 2.822 7.233 0.555 1.00 0.00 C ATOM 94 O LEU A 8 2.630 6.590 -0.480 1.00 0.00 O ATOM 95 CB LEU A 8 1.486 9.243 1.460 1.00 0.00 C ATOM 96 CG LEU A 8 1.852 9.508 2.927 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.715 10.764 3.062 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.613 9.689 3.795 1.00 0.00 C ATOM 0 H LEU A 8 1.883 8.744 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 8 3.584 9.141 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.085 10.158 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.693 8.497 1.421 1.00 0.00 H new ATOM 0 HG LEU A 8 2.408 8.634 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.959 10.927 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.635 10.636 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.167 11.625 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.915 9.874 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.033 10.536 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.004 8.786 3.752 1.00 0.00 H new ATOM 110 N CYS A 9 3.140 6.641 1.701 1.00 0.00 N ATOM 111 CA CYS A 9 3.271 5.208 1.887 1.00 0.00 C ATOM 112 C CYS A 9 2.740 4.828 3.256 1.00 0.00 C ATOM 113 O CYS A 9 2.921 5.562 4.231 1.00 0.00 O ATOM 114 CB CYS A 9 4.744 4.828 1.704 1.00 0.00 C ATOM 115 SG CYS A 9 5.169 3.179 2.333 1.00 0.00 S ATOM 0 H CYS A 9 3.319 7.169 2.555 1.00 0.00 H new ATOM 0 HA CYS A 9 2.685 4.658 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.991 4.875 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.364 5.568 2.209 1.00 0.00 H new ATOM 0 HG CYS A 9 6.433 2.950 2.131 1.00 0.00 H new ATOM 121 N LEU A 10 2.044 3.692 3.302 1.00 0.00 N ATOM 122 CA LEU A 10 1.228 3.249 4.411 1.00 0.00 C ATOM 123 C LEU A 10 1.601 1.805 4.710 1.00 0.00 C ATOM 124 O LEU A 10 1.525 0.945 3.824 1.00 0.00 O ATOM 125 CB LEU A 10 -0.252 3.324 4.011 1.00 0.00 C ATOM 126 CG LEU A 10 -0.774 4.648 3.430 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.582 5.848 4.355 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.396 4.959 1.978 1.00 0.00 C ATOM 0 H LEU A 10 2.040 3.031 2.525 1.00 0.00 H new ATOM 0 HA LEU A 10 1.391 3.876 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.440 2.540 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.849 3.087 4.892 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.846 4.456 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.975 6.744 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.114 5.675 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.480 5.983 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.824 5.919 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.689 5.003 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.784 4.177 1.326 1.00 0.00 H new ATOM 140 N MET A 11 2.015 1.522 5.938 1.00 0.00 N ATOM 141 CA MET A 11 2.357 0.170 6.376 1.00 0.00 C ATOM 142 C MET A 11 1.247 -0.410 7.245 1.00 0.00 C ATOM 143 O MET A 11 0.395 0.327 7.742 1.00 0.00 O ATOM 144 CB MET A 11 3.682 0.202 7.136 1.00 0.00 C ATOM 145 CG MET A 11 4.874 0.508 6.220 1.00 0.00 C ATOM 146 SD MET A 11 6.231 1.317 7.109 1.00 0.00 S ATOM 147 CE MET A 11 5.534 2.977 7.344 1.00 0.00 C ATOM 0 H MET A 11 2.125 2.228 6.666 1.00 0.00 H new ATOM 0 HA MET A 11 2.465 -0.473 5.503 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.629 0.955 7.922 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.840 -0.759 7.625 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.235 -0.419 5.775 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.546 1.148 5.401 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.299 3.639 7.749 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.189 3.366 6.386 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.695 2.924 8.038 1.00 0.00 H new ATOM 157 N ASN A 12 1.300 -1.728 7.467 1.00 0.00 N ATOM 158 CA ASN A 12 0.433 -2.569 8.313 1.00 0.00 C ATOM 159 C ASN A 12 -0.968 -2.866 7.727 1.00 0.00 C ATOM 160 O ASN A 12 -1.814 -3.422 8.436 1.00 0.00 O ATOM 161 CB ASN A 12 0.234 -1.993 9.726 1.00 0.00 C ATOM 162 CG ASN A 12 1.481 -1.613 10.501 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.587 -2.075 10.239 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.312 -0.757 11.490 1.00 0.00 N ATOM 0 H ASN A 12 2.021 -2.292 7.016 1.00 0.00 H new ATOM 0 HA ASN A 12 0.989 -3.506 8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.396 -1.107 9.644 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.320 -2.725 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.110 -0.466 12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.383 -0.386 11.690 1.00 0.00 H new ATOM 171 N MET A 13 -1.265 -2.497 6.476 1.00 0.00 N ATOM 172 CA MET A 13 -2.558 -2.800 5.855 1.00 0.00 C ATOM 173 C MET A 13 -2.715 -4.319 5.727 1.00 0.00 C ATOM 174 O MET A 13 -3.592 -4.907 6.357 1.00 0.00 O ATOM 175 CB MET A 13 -2.699 -2.114 4.482 1.00 0.00 C ATOM 176 CG MET A 13 -3.676 -0.950 4.419 1.00 0.00 C ATOM 177 SD MET A 13 -2.842 0.644 4.211 1.00 0.00 S ATOM 178 CE MET A 13 -1.863 0.634 5.719 1.00 0.00 C ATOM 0 H MET A 13 -0.623 -1.985 5.871 1.00 0.00 H new ATOM 0 HA MET A 13 -3.352 -2.408 6.491 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.717 -1.756 4.174 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.009 -2.863 3.753 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.368 -1.105 3.591 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.271 -0.929 5.332 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.871 1.629 6.164 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.287 -0.082 6.423 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.837 0.349 5.485 1.00 0.00 H new ATOM 188 N VAL A 14 -1.860 -4.931 4.907 1.00 0.00 N ATOM 189 CA VAL A 14 -2.057 -6.239 4.290 1.00 0.00 C ATOM 190 C VAL A 14 -0.867 -7.134 4.627 1.00 0.00 C ATOM 191 O VAL A 14 0.272 -6.660 4.747 1.00 0.00 O ATOM 192 CB VAL A 14 -2.245 -6.069 2.761 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.676 -5.612 2.451 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.220 -5.099 2.133 1.00 0.00 C ATOM 0 H VAL A 14 -0.970 -4.507 4.644 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.957 -6.715 4.679 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.068 -7.045 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.796 -5.496 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.383 -6.357 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.868 -4.658 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.402 -5.021 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.322 -4.115 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.211 -5.475 2.303 1.00 0.00 H new ATOM 204 N LEU A 15 -1.141 -8.420 4.818 1.00 0.00 N ATOM 205 CA LEU A 15 -0.182 -9.463 5.145 1.00 0.00 C ATOM 206 C LEU A 15 0.388 -10.092 3.875 1.00 0.00 C ATOM 207 O LEU A 15 -0.205 -9.995 2.798 1.00 0.00 O ATOM 208 CB LEU A 15 -0.901 -10.529 5.994 1.00 0.00 C ATOM 209 CG LEU A 15 -0.824 -10.264 7.500 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.017 -8.803 7.923 1.00 0.00 C ATOM 211 CD2 LEU A 15 -1.825 -11.171 8.228 1.00 0.00 C ATOM 0 H LEU A 15 -2.092 -8.780 4.744 1.00 0.00 H new ATOM 0 HA LEU A 15 0.651 -9.036 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.948 -10.575 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.465 -11.505 5.782 1.00 0.00 H new ATOM 0 HG LEU A 15 0.201 -10.497 7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.944 -8.726 9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.246 -8.186 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.999 -8.457 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.772 -10.984 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.833 -10.959 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.582 -12.215 8.029 1.00 0.00 H new ATOM 223 N PRO A 16 1.509 -10.821 3.993 1.00 0.00 N ATOM 224 CA PRO A 16 2.154 -11.478 2.862 1.00 0.00 C ATOM 225 C PRO A 16 1.376 -12.668 2.286 1.00 0.00 C ATOM 226 O PRO A 16 1.847 -13.281 1.332 1.00 0.00 O ATOM 227 CB PRO A 16 3.520 -11.924 3.416 1.00 0.00 C ATOM 228 CG PRO A 16 3.260 -12.144 4.900 1.00 0.00 C ATOM 229 CD PRO A 16 2.301 -11.002 5.206 1.00 0.00 C ATOM 0 HA PRO A 16 2.224 -10.794 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.869 -12.836 2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.285 -11.164 3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.815 -13.119 5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.174 -12.083 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.665 -11.242 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.844 -10.091 5.460 1.00 0.00 H new ATOM 237 N GLU A 17 0.222 -13.018 2.850 1.00 0.00 N ATOM 238 CA GLU A 17 -0.442 -14.302 2.649 1.00 0.00 C ATOM 239 C GLU A 17 -1.929 -14.150 2.320 1.00 0.00 C ATOM 240 O GLU A 17 -2.599 -15.151 2.069 1.00 0.00 O ATOM 241 CB GLU A 17 -0.179 -15.170 3.892 1.00 0.00 C ATOM 242 CG GLU A 17 -0.700 -14.582 5.222 1.00 0.00 C ATOM 243 CD GLU A 17 0.023 -15.183 6.433 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.381 -16.381 6.400 1.00 0.00 O ATOM 245 OE2 GLU A 17 0.333 -14.439 7.403 1.00 0.00 O ATOM 0 H GLU A 17 -0.291 -12.398 3.477 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.027 -14.800 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.639 -16.146 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.895 -15.334 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.565 -13.500 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.770 -14.770 5.308 1.00 0.00 H new ATOM 252 N GLU A 18 -2.445 -12.918 2.265 1.00 0.00 N ATOM 253 CA GLU A 18 -3.856 -12.640 1.973 1.00 0.00 C ATOM 254 C GLU A 18 -4.051 -11.884 0.657 1.00 0.00 C ATOM 255 O GLU A 18 -5.162 -11.868 0.134 1.00 0.00 O ATOM 256 CB GLU A 18 -4.525 -11.982 3.194 1.00 0.00 C ATOM 257 CG GLU A 18 -3.990 -10.580 3.545 1.00 0.00 C ATOM 258 CD GLU A 18 -4.412 -10.069 4.938 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.213 -10.728 5.646 1.00 0.00 O ATOM 260 OE2 GLU A 18 -3.891 -9.010 5.362 1.00 0.00 O ATOM 0 H GLU A 18 -1.890 -12.077 2.423 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.372 -13.585 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.597 -11.911 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.393 -12.633 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.901 -10.596 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.336 -9.873 2.791 1.00 0.00 H new ATOM 267 N LEU A 19 -2.968 -11.354 0.074 1.00 0.00 N ATOM 268 CA LEU A 19 -2.932 -10.625 -1.197 1.00 0.00 C ATOM 269 C LEU A 19 -3.063 -11.558 -2.411 1.00 0.00 C ATOM 270 O LEU A 19 -2.218 -11.518 -3.315 1.00 0.00 O ATOM 271 CB LEU A 19 -1.611 -9.825 -1.285 1.00 0.00 C ATOM 272 CG LEU A 19 -1.466 -8.660 -0.300 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.071 -8.040 -0.446 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.528 -7.597 -0.606 1.00 0.00 C ATOM 0 H LEU A 19 -2.044 -11.427 0.501 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.787 -9.950 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.781 -10.514 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.513 -9.433 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.599 -9.026 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.034 -7.211 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.686 -8.794 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.060 -7.674 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.425 -6.768 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.394 -7.231 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.521 -8.035 -0.506 1.00 0.00 H new ATOM 286 N LEU A 20 -4.031 -12.479 -2.414 1.00 0.00 N ATOM 287 CA LEU A 20 -4.054 -13.606 -3.350 1.00 0.00 C ATOM 288 C LEU A 20 -5.400 -13.841 -4.036 1.00 0.00 C ATOM 289 O LEU A 20 -5.432 -14.537 -5.053 1.00 0.00 O ATOM 290 CB LEU A 20 -3.586 -14.897 -2.665 1.00 0.00 C ATOM 291 CG LEU A 20 -2.083 -15.044 -2.356 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.207 -14.789 -3.588 1.00 0.00 C ATOM 293 CD2 LEU A 20 -1.590 -14.227 -1.158 1.00 0.00 C ATOM 0 H LEU A 20 -4.820 -12.464 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.358 -13.325 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.132 -14.995 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.882 -15.736 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.976 -16.089 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.157 -14.905 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.462 -15.504 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.378 -13.776 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.522 -14.394 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.770 -13.168 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.126 -14.537 -0.261 1.00 0.00 H new ATOM 305 N ASP A 21 -6.489 -13.237 -3.572 1.00 0.00 N ATOM 306 CA ASP A 21 -7.700 -13.030 -4.377 1.00 0.00 C ATOM 307 C ASP A 21 -7.407 -12.019 -5.499 1.00 0.00 C ATOM 308 O ASP A 21 -6.287 -11.519 -5.647 1.00 0.00 O ATOM 309 CB ASP A 21 -8.857 -12.507 -3.507 1.00 0.00 C ATOM 310 CG ASP A 21 -8.415 -11.277 -2.749 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.354 -10.188 -3.353 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.063 -11.472 -1.562 1.00 0.00 O ATOM 0 H ASP A 21 -6.562 -12.873 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.994 -13.988 -4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.716 -12.269 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.176 -13.280 -2.808 1.00 0.00 H new ATOM 317 N ASP A 22 -8.406 -11.729 -6.331 1.00 0.00 N ATOM 318 CA ASP A 22 -8.397 -10.584 -7.253 1.00 0.00 C ATOM 319 C ASP A 22 -9.600 -9.667 -7.016 1.00 0.00 C ATOM 320 O ASP A 22 -9.744 -8.637 -7.675 1.00 0.00 O ATOM 321 CB ASP A 22 -8.426 -11.095 -8.697 1.00 0.00 C ATOM 322 CG ASP A 22 -7.883 -10.059 -9.685 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.686 -9.705 -9.545 1.00 0.00 O ATOM 324 OD2 ASP A 22 -8.579 -9.683 -10.655 1.00 0.00 O ATOM 0 H ASP A 22 -9.258 -12.287 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.489 -10.009 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.836 -12.009 -8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.449 -11.354 -8.969 1.00 0.00 H new ATOM 329 N GLU A 23 -10.478 -10.082 -6.106 1.00 0.00 N ATOM 330 CA GLU A 23 -11.742 -9.456 -5.770 1.00 0.00 C ATOM 331 C GLU A 23 -11.512 -8.447 -4.649 1.00 0.00 C ATOM 332 O GLU A 23 -11.510 -7.249 -4.908 1.00 0.00 O ATOM 333 CB GLU A 23 -12.780 -10.534 -5.394 1.00 0.00 C ATOM 334 CG GLU A 23 -13.045 -11.499 -6.560 1.00 0.00 C ATOM 335 CD GLU A 23 -14.118 -12.547 -6.260 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.059 -13.215 -5.198 1.00 0.00 O ATOM 337 OE2 GLU A 23 -14.998 -12.748 -7.132 1.00 0.00 O ATOM 0 H GLU A 23 -10.308 -10.920 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.144 -8.917 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.425 -11.096 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.713 -10.054 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.347 -10.923 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.116 -12.007 -6.818 1.00 0.00 H new ATOM 344 N GLU A 24 -11.274 -8.928 -3.426 1.00 0.00 N ATOM 345 CA GLU A 24 -11.131 -8.156 -2.207 1.00 0.00 C ATOM 346 C GLU A 24 -10.001 -7.129 -2.348 1.00 0.00 C ATOM 347 O GLU A 24 -10.131 -6.017 -1.855 1.00 0.00 O ATOM 348 CB GLU A 24 -10.921 -9.184 -1.077 1.00 0.00 C ATOM 349 CG GLU A 24 -10.368 -8.623 0.232 1.00 0.00 C ATOM 350 CD GLU A 24 -11.324 -7.710 1.012 1.00 0.00 C ATOM 351 OE1 GLU A 24 -12.501 -7.564 0.611 1.00 0.00 O ATOM 352 OE2 GLU A 24 -10.929 -7.195 2.084 1.00 0.00 O ATOM 0 H GLU A 24 -11.171 -9.929 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.011 -7.554 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.875 -9.669 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.242 -9.957 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.084 -9.457 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.458 -8.065 0.013 1.00 0.00 H new ATOM 359 N TYR A 25 -8.943 -7.447 -3.095 1.00 0.00 N ATOM 360 CA TYR A 25 -7.871 -6.537 -3.467 1.00 0.00 C ATOM 361 C TYR A 25 -8.407 -5.194 -3.994 1.00 0.00 C ATOM 362 O TYR A 25 -7.931 -4.138 -3.580 1.00 0.00 O ATOM 363 CB TYR A 25 -6.999 -7.258 -4.502 1.00 0.00 C ATOM 364 CG TYR A 25 -5.802 -6.483 -5.009 1.00 0.00 C ATOM 365 CD1 TYR A 25 -5.923 -5.680 -6.158 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.552 -6.625 -4.379 1.00 0.00 C ATOM 367 CE1 TYR A 25 -4.796 -5.048 -6.706 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.420 -5.996 -4.922 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.533 -5.227 -6.101 1.00 0.00 C ATOM 370 OH TYR A 25 -2.420 -4.704 -6.684 1.00 0.00 O ATOM 0 H TYR A 25 -8.809 -8.386 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.276 -6.280 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.645 -8.191 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.624 -7.523 -5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.890 -5.549 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.463 -7.216 -3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.894 -4.428 -7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.461 -6.101 -4.437 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.680 -4.713 -6.042 1.00 0.00 H new ATOM 380 N GLU A 26 -9.388 -5.220 -4.900 1.00 0.00 N ATOM 381 CA GLU A 26 -9.996 -4.021 -5.471 1.00 0.00 C ATOM 382 C GLU A 26 -10.955 -3.355 -4.475 1.00 0.00 C ATOM 383 O GLU A 26 -11.040 -2.130 -4.413 1.00 0.00 O ATOM 384 CB GLU A 26 -10.745 -4.413 -6.762 1.00 0.00 C ATOM 385 CG GLU A 26 -10.085 -3.802 -8.001 1.00 0.00 C ATOM 386 CD GLU A 26 -10.279 -2.278 -8.141 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.363 -1.836 -8.596 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.315 -1.508 -7.916 1.00 0.00 O ATOM 0 H GLU A 26 -9.786 -6.087 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.213 -3.298 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.765 -5.499 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.781 -4.080 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.017 -4.019 -7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.486 -4.290 -8.889 1.00 0.00 H new ATOM 395 N GLU A 27 -11.645 -4.138 -3.650 1.00 0.00 N ATOM 396 CA GLU A 27 -12.508 -3.599 -2.601 1.00 0.00 C ATOM 397 C GLU A 27 -11.686 -2.753 -1.628 1.00 0.00 C ATOM 398 O GLU A 27 -12.087 -1.645 -1.284 1.00 0.00 O ATOM 399 CB GLU A 27 -13.257 -4.706 -1.844 1.00 0.00 C ATOM 400 CG GLU A 27 -14.011 -5.674 -2.764 1.00 0.00 C ATOM 401 CD GLU A 27 -15.089 -5.011 -3.627 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.979 -4.334 -3.064 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.140 -5.260 -4.851 1.00 0.00 O ATOM 0 H GLU A 27 -11.623 -5.157 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.258 -2.971 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.544 -5.270 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.965 -4.248 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.293 -6.170 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.476 -6.449 -2.154 1.00 0.00 H new ATOM 410 N ILE A 28 -10.515 -3.249 -1.227 1.00 0.00 N ATOM 411 CA ILE A 28 -9.576 -2.553 -0.358 1.00 0.00 C ATOM 412 C ILE A 28 -9.056 -1.287 -1.055 1.00 0.00 C ATOM 413 O ILE A 28 -8.797 -0.275 -0.392 1.00 0.00 O ATOM 414 CB ILE A 28 -8.416 -3.502 0.032 1.00 0.00 C ATOM 415 CG1 ILE A 28 -8.903 -4.753 0.797 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.409 -2.746 0.926 1.00 0.00 C ATOM 417 CD1 ILE A 28 -7.855 -5.878 0.805 1.00 0.00 C ATOM 0 H ILE A 28 -10.188 -4.173 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.083 -2.248 0.557 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.951 -3.833 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.144 -4.477 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.823 -5.120 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.593 -3.414 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.010 -1.890 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.913 -2.399 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.245 -6.735 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.632 -6.175 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.944 -5.523 1.286 1.00 0.00 H new ATOM 429 N VAL A 29 -8.873 -1.302 -2.378 1.00 0.00 N ATOM 430 CA VAL A 29 -8.545 -0.084 -3.106 1.00 0.00 C ATOM 431 C VAL A 29 -9.685 0.919 -2.925 1.00 0.00 C ATOM 432 O VAL A 29 -9.417 2.050 -2.515 1.00 0.00 O ATOM 433 CB VAL A 29 -8.214 -0.394 -4.583 1.00 0.00 C ATOM 434 CG1 VAL A 29 -8.177 0.861 -5.469 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.842 -1.082 -4.699 1.00 0.00 C ATOM 0 H VAL A 29 -8.947 -2.138 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.641 0.371 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.015 -1.046 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.939 0.576 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.150 1.352 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.415 1.546 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.628 -1.292 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.071 -0.426 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.855 -2.016 -4.137 1.00 0.00 H new ATOM 445 N GLU A 30 -10.927 0.546 -3.233 1.00 0.00 N ATOM 446 CA GLU A 30 -12.028 1.494 -3.306 1.00 0.00 C ATOM 447 C GLU A 30 -12.433 2.010 -1.925 1.00 0.00 C ATOM 448 O GLU A 30 -12.818 3.173 -1.809 1.00 0.00 O ATOM 449 CB GLU A 30 -13.227 0.918 -4.084 1.00 0.00 C ATOM 450 CG GLU A 30 -12.851 0.541 -5.530 1.00 0.00 C ATOM 451 CD GLU A 30 -13.951 0.847 -6.547 1.00 0.00 C ATOM 452 OE1 GLU A 30 -15.024 0.201 -6.514 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.709 1.714 -7.422 1.00 0.00 O ATOM 0 H GLU A 30 -11.193 -0.417 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.669 2.356 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.605 0.036 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.035 1.650 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.946 1.078 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.616 -0.523 -5.570 1.00 0.00 H new ATOM 460 N ASP A 31 -12.330 1.196 -0.872 1.00 0.00 N ATOM 461 CA ASP A 31 -12.704 1.589 0.499 1.00 0.00 C ATOM 462 C ASP A 31 -11.779 2.669 1.055 1.00 0.00 C ATOM 463 O ASP A 31 -12.189 3.574 1.787 1.00 0.00 O ATOM 464 CB ASP A 31 -12.659 0.369 1.429 1.00 0.00 C ATOM 465 CG ASP A 31 -13.504 0.587 2.690 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.733 0.321 2.628 1.00 0.00 O ATOM 467 OD2 ASP A 31 -12.940 0.957 3.745 1.00 0.00 O ATOM 0 H ASP A 31 -11.983 0.239 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.716 1.992 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.022 -0.509 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.627 0.166 1.713 1.00 0.00 H new ATOM 472 N VAL A 32 -10.508 2.581 0.681 1.00 0.00 N ATOM 473 CA VAL A 32 -9.468 3.481 1.142 1.00 0.00 C ATOM 474 C VAL A 32 -9.372 4.671 0.174 1.00 0.00 C ATOM 475 O VAL A 32 -8.962 5.768 0.566 1.00 0.00 O ATOM 476 CB VAL A 32 -8.166 2.673 1.259 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.976 3.529 1.695 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.285 1.499 2.245 1.00 0.00 C ATOM 0 H VAL A 32 -10.169 1.867 0.036 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.685 3.900 2.124 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.993 2.292 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.084 2.906 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.812 4.322 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.183 3.970 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.337 0.963 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.532 1.880 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.070 0.821 1.910 1.00 0.00 H new ATOM 488 N ARG A 33 -9.779 4.500 -1.089 1.00 0.00 N ATOM 489 CA ARG A 33 -9.890 5.591 -2.049 1.00 0.00 C ATOM 490 C ARG A 33 -11.027 6.541 -1.694 1.00 0.00 C ATOM 491 O ARG A 33 -10.968 7.699 -2.110 1.00 0.00 O ATOM 492 CB ARG A 33 -10.078 4.982 -3.448 1.00 0.00 C ATOM 493 CG ARG A 33 -10.153 5.972 -4.622 1.00 0.00 C ATOM 494 CD ARG A 33 -10.481 5.155 -5.885 1.00 0.00 C ATOM 495 NE ARG A 33 -10.331 5.913 -7.138 1.00 0.00 N ATOM 496 CZ ARG A 33 -11.258 6.111 -8.082 1.00 0.00 C ATOM 497 NH1 ARG A 33 -12.541 5.854 -7.852 1.00 0.00 N ATOM 498 NH2 ARG A 33 -10.882 6.553 -9.276 1.00 0.00 N ATOM 0 H ARG A 33 -10.041 3.591 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.979 6.190 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.254 4.294 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.993 4.390 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.919 6.726 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.207 6.501 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.831 4.281 -5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.505 4.788 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.417 6.335 -7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.835 5.499 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.232 6.012 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.897 6.737 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.578 6.708 -10.005 1.00 0.00 H new ATOM 512 N ASP A 34 -12.022 6.122 -0.912 1.00 0.00 N ATOM 513 CA ASP A 34 -12.857 7.088 -0.210 1.00 0.00 C ATOM 514 C ASP A 34 -11.998 7.784 0.836 1.00 0.00 C ATOM 515 O ASP A 34 -11.828 9.001 0.768 1.00 0.00 O ATOM 516 CB ASP A 34 -14.077 6.463 0.477 1.00 0.00 C ATOM 517 CG ASP A 34 -14.676 7.507 1.432 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.088 8.601 0.967 1.00 0.00 O ATOM 519 OD2 ASP A 34 -14.718 7.277 2.662 1.00 0.00 O ATOM 0 H ASP A 34 -12.264 5.144 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.245 7.785 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.816 6.157 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.787 5.567 1.026 1.00 0.00 H new ATOM 524 N GLU A 35 -11.473 7.029 1.809 1.00 0.00 N ATOM 525 CA GLU A 35 -11.053 7.625 3.073 1.00 0.00 C ATOM 526 C GLU A 35 -9.954 8.662 2.892 1.00 0.00 C ATOM 527 O GLU A 35 -9.951 9.706 3.541 1.00 0.00 O ATOM 528 CB GLU A 35 -10.647 6.573 4.108 1.00 0.00 C ATOM 529 CG GLU A 35 -9.188 6.089 4.077 1.00 0.00 C ATOM 530 CD GLU A 35 -8.933 5.175 5.273 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.703 5.734 6.372 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.134 3.944 5.191 1.00 0.00 O ATOM 0 H GLU A 35 -11.332 6.021 1.743 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.930 8.144 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.848 6.978 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.294 5.705 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.990 5.555 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.509 6.942 4.105 1.00 0.00 H new ATOM 539 N CYS A 36 -9.006 8.370 2.008 1.00 0.00 N ATOM 540 CA CYS A 36 -7.877 9.240 1.782 1.00 0.00 C ATOM 541 C CYS A 36 -8.313 10.427 0.910 1.00 0.00 C ATOM 542 O CYS A 36 -7.826 11.545 1.091 1.00 0.00 O ATOM 543 CB CYS A 36 -6.743 8.376 1.225 1.00 0.00 C ATOM 544 SG CYS A 36 -5.193 9.292 1.274 1.00 0.00 S ATOM 0 H CYS A 36 -9.006 7.526 1.435 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.495 9.703 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.652 7.460 1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.969 8.081 0.200 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.192 10.193 0.337 1.00 0.00 H new ATOM 550 N SER A 37 -9.323 10.240 0.051 1.00 0.00 N ATOM 551 CA SER A 37 -9.942 11.300 -0.737 1.00 0.00 C ATOM 552 C SER A 37 -10.675 12.316 0.161 1.00 0.00 C ATOM 553 O SER A 37 -11.012 13.420 -0.278 1.00 0.00 O ATOM 554 CB SER A 37 -10.859 10.668 -1.781 1.00 0.00 C ATOM 555 OG SER A 37 -11.314 11.571 -2.769 1.00 0.00 O ATOM 0 H SER A 37 -9.738 9.323 -0.115 1.00 0.00 H new ATOM 0 HA SER A 37 -9.171 11.870 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.328 9.850 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.722 10.233 -1.276 1.00 0.00 H new ATOM 0 HG SER A 37 -11.893 11.098 -3.403 1.00 0.00 H new ATOM 561 N LYS A 38 -10.902 12.017 1.446 1.00 0.00 N ATOM 562 CA LYS A 38 -11.454 12.982 2.401 1.00 0.00 C ATOM 563 C LYS A 38 -10.492 14.149 2.647 1.00 0.00 C ATOM 564 O LYS A 38 -10.913 15.153 3.230 1.00 0.00 O ATOM 565 CB LYS A 38 -11.828 12.274 3.718 1.00 0.00 C ATOM 566 CG LYS A 38 -12.890 11.191 3.479 1.00 0.00 C ATOM 567 CD LYS A 38 -13.198 10.276 4.674 1.00 0.00 C ATOM 568 CE LYS A 38 -13.939 10.898 5.859 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.177 11.590 5.453 1.00 0.00 N ATOM 0 H LYS A 38 -10.708 11.101 1.851 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.360 13.406 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.938 11.825 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.204 13.005 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.815 11.679 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.565 10.569 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.788 9.434 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.255 9.870 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.183 10.118 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.281 11.605 6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.692 11.905 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.937 12.415 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.775 10.939 4.906 1.00 0.00 H new ATOM 583 N TYR A 39 -9.233 14.054 2.213 1.00 0.00 N ATOM 584 CA TYR A 39 -8.174 15.025 2.487 1.00 0.00 C ATOM 585 C TYR A 39 -7.710 15.794 1.251 1.00 0.00 C ATOM 586 O TYR A 39 -6.917 16.730 1.390 1.00 0.00 O ATOM 587 CB TYR A 39 -6.990 14.297 3.133 1.00 0.00 C ATOM 588 CG TYR A 39 -7.315 13.824 4.529 1.00 0.00 C ATOM 589 CD1 TYR A 39 -7.958 12.586 4.721 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.092 14.690 5.616 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.417 12.229 5.997 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.538 14.331 6.895 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.207 13.104 7.086 1.00 0.00 C ATOM 594 OH TYR A 39 -8.686 12.797 8.315 1.00 0.00 O ATOM 0 H TYR A 39 -8.913 13.272 1.642 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.588 15.773 3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.708 13.443 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.128 14.964 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.097 11.913 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.579 15.628 5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.929 11.290 6.146 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.370 14.992 7.732 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.450 13.509 8.945 1.00 0.00 H new ATOM 604 N GLY A 40 -8.172 15.437 0.058 1.00 0.00 N ATOM 605 CA GLY A 40 -7.637 15.951 -1.191 1.00 0.00 C ATOM 606 C GLY A 40 -7.854 14.926 -2.287 1.00 0.00 C ATOM 607 O GLY A 40 -8.647 13.997 -2.116 1.00 0.00 O ATOM 0 H GLY A 40 -8.938 14.775 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.127 16.889 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.574 16.166 -1.084 1.00 0.00 H new ATOM 611 N LEU A 41 -7.209 15.102 -3.434 1.00 0.00 N ATOM 612 CA LEU A 41 -7.428 14.232 -4.579 1.00 0.00 C ATOM 613 C LEU A 41 -6.376 13.139 -4.605 1.00 0.00 C ATOM 614 O LEU A 41 -5.227 13.350 -4.988 1.00 0.00 O ATOM 615 CB LEU A 41 -7.468 15.038 -5.868 1.00 0.00 C ATOM 616 CG LEU A 41 -8.282 14.419 -7.013 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.740 13.074 -7.487 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.768 14.267 -6.672 1.00 0.00 C ATOM 0 H LEU A 41 -6.527 15.844 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.400 13.747 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.878 16.024 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.445 15.188 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.177 15.135 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.364 12.695 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.718 13.199 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.751 12.365 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.292 13.824 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.877 13.622 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.193 15.247 -6.454 1.00 0.00 H new ATOM 630 N VAL A 42 -6.818 11.954 -4.206 1.00 0.00 N ATOM 631 CA VAL A 42 -6.100 10.693 -4.348 1.00 0.00 C ATOM 632 C VAL A 42 -6.091 10.348 -5.835 1.00 0.00 C ATOM 633 O VAL A 42 -7.121 9.968 -6.407 1.00 0.00 O ATOM 634 CB VAL A 42 -6.769 9.592 -3.508 1.00 0.00 C ATOM 635 CG1 VAL A 42 -6.098 8.231 -3.717 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.715 9.921 -2.018 1.00 0.00 C ATOM 0 H VAL A 42 -7.726 11.840 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.077 10.778 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.805 9.543 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.600 7.480 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.167 7.949 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.049 8.294 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.196 9.124 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.676 10.013 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.235 10.861 -1.834 1.00 0.00 H new ATOM 646 N LYS A 43 -4.931 10.506 -6.467 1.00 0.00 N ATOM 647 CA LYS A 43 -4.721 10.150 -7.856 1.00 0.00 C ATOM 648 C LYS A 43 -4.834 8.626 -7.981 1.00 0.00 C ATOM 649 O LYS A 43 -5.818 8.138 -8.553 1.00 0.00 O ATOM 650 CB LYS A 43 -3.380 10.728 -8.344 1.00 0.00 C ATOM 651 CG LYS A 43 -3.241 10.628 -9.867 1.00 0.00 C ATOM 652 CD LYS A 43 -3.506 11.969 -10.559 1.00 0.00 C ATOM 653 CE LYS A 43 -3.865 11.684 -12.020 1.00 0.00 C ATOM 654 NZ LYS A 43 -3.855 12.896 -12.865 1.00 0.00 N ATOM 0 H LYS A 43 -4.101 10.891 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.480 10.584 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.301 11.771 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.558 10.193 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.238 10.283 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.938 9.881 -10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.319 12.500 -10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.625 12.609 -10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.160 10.959 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.853 11.226 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.105 12.640 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.547 13.581 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.906 13.321 -12.851 1.00 0.00 H new ATOM 668 N SER A 44 -3.895 7.869 -7.408 1.00 0.00 N ATOM 669 CA SER A 44 -3.760 6.426 -7.653 1.00 0.00 C ATOM 670 C SER A 44 -3.097 5.715 -6.460 1.00 0.00 C ATOM 671 O SER A 44 -2.587 6.388 -5.558 1.00 0.00 O ATOM 672 CB SER A 44 -3.000 6.218 -8.979 1.00 0.00 C ATOM 673 OG SER A 44 -2.076 7.260 -9.258 1.00 0.00 O ATOM 0 H SER A 44 -3.202 8.239 -6.757 1.00 0.00 H new ATOM 0 HA SER A 44 -4.745 5.970 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.467 5.268 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.718 6.148 -9.796 1.00 0.00 H new ATOM 0 HG SER A 44 -1.622 7.076 -10.107 1.00 0.00 H new ATOM 679 N ILE A 45 -3.153 4.376 -6.416 1.00 0.00 N ATOM 680 CA ILE A 45 -2.698 3.526 -5.312 1.00 0.00 C ATOM 681 C ILE A 45 -1.984 2.299 -5.893 1.00 0.00 C ATOM 682 O ILE A 45 -2.420 1.746 -6.907 1.00 0.00 O ATOM 683 CB ILE A 45 -3.914 3.095 -4.448 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.621 4.298 -3.789 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.533 2.105 -3.333 1.00 0.00 C ATOM 686 CD1 ILE A 45 -5.989 4.601 -4.407 1.00 0.00 C ATOM 0 H ILE A 45 -3.536 3.832 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.004 4.076 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.590 2.607 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.745 4.101 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.985 5.179 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.423 1.840 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.104 1.206 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.802 2.567 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.435 5.457 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.867 4.829 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.639 3.733 -4.295 1.00 0.00 H new ATOM 698 N GLU A 46 -0.947 1.803 -5.215 1.00 0.00 N ATOM 699 CA GLU A 46 -0.113 0.687 -5.659 1.00 0.00 C ATOM 700 C GLU A 46 0.071 -0.305 -4.502 1.00 0.00 C ATOM 701 O GLU A 46 0.565 0.070 -3.436 1.00 0.00 O ATOM 702 CB GLU A 46 1.222 1.248 -6.168 1.00 0.00 C ATOM 703 CG GLU A 46 2.262 0.211 -6.617 1.00 0.00 C ATOM 704 CD GLU A 46 1.901 -0.584 -7.877 1.00 0.00 C ATOM 705 OE1 GLU A 46 1.424 -0.027 -8.884 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.125 -1.820 -7.878 1.00 0.00 O ATOM 0 H GLU A 46 -0.656 2.180 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.586 0.143 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.017 1.914 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.662 1.856 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.208 0.723 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.425 -0.492 -5.800 1.00 0.00 H new ATOM 713 N ILE A 47 -0.327 -1.565 -4.708 1.00 0.00 N ATOM 714 CA ILE A 47 -0.342 -2.655 -3.727 1.00 0.00 C ATOM 715 C ILE A 47 0.404 -3.846 -4.351 1.00 0.00 C ATOM 716 O ILE A 47 -0.222 -4.686 -5.002 1.00 0.00 O ATOM 717 CB ILE A 47 -1.788 -3.026 -3.289 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.592 -1.766 -2.908 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.746 -4.060 -2.137 1.00 0.00 C ATOM 720 CD1 ILE A 47 -4.008 -2.041 -2.398 1.00 0.00 C ATOM 0 H ILE A 47 -0.668 -1.869 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 47 0.159 -2.343 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.305 -3.486 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.044 -1.220 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.655 -1.114 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.763 -4.313 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.233 -4.960 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.213 -3.636 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.497 -1.098 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.579 -2.557 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.959 -2.665 -1.505 1.00 0.00 H new ATOM 732 N PRO A 48 1.746 -3.919 -4.231 1.00 0.00 N ATOM 733 CA PRO A 48 2.507 -5.036 -4.785 1.00 0.00 C ATOM 734 C PRO A 48 2.033 -6.347 -4.161 1.00 0.00 C ATOM 735 O PRO A 48 1.633 -6.366 -2.992 1.00 0.00 O ATOM 736 CB PRO A 48 3.983 -4.772 -4.470 1.00 0.00 C ATOM 737 CG PRO A 48 3.950 -3.757 -3.327 1.00 0.00 C ATOM 738 CD PRO A 48 2.591 -3.063 -3.416 1.00 0.00 C ATOM 0 HA PRO A 48 2.364 -5.121 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.496 -5.687 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.510 -4.376 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.073 -4.251 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.763 -3.037 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.161 -2.923 -2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.689 -2.074 -3.864 1.00 0.00 H new ATOM 746 N ARG A 49 2.105 -7.440 -4.923 1.00 0.00 N ATOM 747 CA ARG A 49 1.653 -8.760 -4.496 1.00 0.00 C ATOM 748 C ARG A 49 2.842 -9.720 -4.406 1.00 0.00 C ATOM 749 O ARG A 49 3.827 -9.545 -5.131 1.00 0.00 O ATOM 750 CB ARG A 49 0.612 -9.274 -5.500 1.00 0.00 C ATOM 751 CG ARG A 49 -0.745 -8.556 -5.372 1.00 0.00 C ATOM 752 CD ARG A 49 -1.362 -8.274 -6.749 1.00 0.00 C ATOM 753 NE ARG A 49 -2.826 -8.352 -6.722 1.00 0.00 N ATOM 754 CZ ARG A 49 -3.654 -8.386 -7.767 1.00 0.00 C ATOM 755 NH1 ARG A 49 -3.189 -8.164 -8.991 1.00 0.00 N ATOM 756 NH2 ARG A 49 -4.928 -8.696 -7.565 1.00 0.00 N ATOM 0 H ARG A 49 2.486 -7.430 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 49 1.198 -8.696 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.994 -9.142 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.467 -10.344 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.428 -9.169 -4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.613 -7.618 -4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.058 -7.283 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.974 -8.990 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.260 -8.384 -5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.198 -7.967 -9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.823 -8.190 -9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.259 -8.903 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.576 -8.727 -8.352 1.00 0.00 H new ATOM 770 N PRO A 50 2.755 -10.743 -3.540 1.00 0.00 N ATOM 771 CA PRO A 50 3.766 -11.788 -3.385 1.00 0.00 C ATOM 772 C PRO A 50 3.877 -12.641 -4.645 1.00 0.00 C ATOM 773 O PRO A 50 3.049 -12.558 -5.559 1.00 0.00 O ATOM 774 CB PRO A 50 3.322 -12.585 -2.154 1.00 0.00 C ATOM 775 CG PRO A 50 1.804 -12.411 -2.132 1.00 0.00 C ATOM 776 CD PRO A 50 1.610 -11.004 -2.678 1.00 0.00 C ATOM 0 HA PRO A 50 4.769 -11.385 -3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.603 -13.635 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.781 -12.202 -1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.304 -13.156 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.401 -12.511 -1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.677 -10.928 -3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.558 -10.276 -1.869 1.00 0.00 H new ATOM 784 N VAL A 51 4.909 -13.481 -4.679 1.00 0.00 N ATOM 785 CA VAL A 51 5.125 -14.424 -5.771 1.00 0.00 C ATOM 786 C VAL A 51 5.363 -15.801 -5.163 1.00 0.00 C ATOM 787 O VAL A 51 6.331 -15.976 -4.438 1.00 0.00 O ATOM 788 CB VAL A 51 6.296 -13.969 -6.673 1.00 0.00 C ATOM 789 CG1 VAL A 51 6.301 -14.784 -7.977 1.00 0.00 C ATOM 790 CG2 VAL A 51 6.243 -12.475 -7.050 1.00 0.00 C ATOM 0 H VAL A 51 5.619 -13.526 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 51 4.248 -14.466 -6.417 1.00 0.00 H new ATOM 0 HB VAL A 51 7.201 -14.135 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.129 -14.458 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.418 -15.842 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.360 -14.630 -8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.096 -12.229 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.319 -12.268 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.277 -11.870 -6.144 1.00 0.00 H new ATOM 800 N ASP A 52 4.507 -16.776 -5.452 1.00 0.00 N ATOM 801 CA ASP A 52 4.624 -18.181 -5.052 1.00 0.00 C ATOM 802 C ASP A 52 4.722 -18.420 -3.543 1.00 0.00 C ATOM 803 O ASP A 52 5.236 -19.434 -3.087 1.00 0.00 O ATOM 804 CB ASP A 52 5.747 -18.863 -5.849 1.00 0.00 C ATOM 805 CG ASP A 52 5.550 -20.381 -5.913 1.00 0.00 C ATOM 806 OD1 ASP A 52 4.669 -20.780 -6.717 1.00 0.00 O ATOM 807 OD2 ASP A 52 6.320 -21.137 -5.279 1.00 0.00 O ATOM 0 H ASP A 52 3.666 -16.601 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 52 3.677 -18.656 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.776 -18.456 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.709 -18.639 -5.388 1.00 0.00 H new ATOM 812 N GLY A 53 4.204 -17.494 -2.753 1.00 0.00 N ATOM 813 CA GLY A 53 4.294 -17.484 -1.298 1.00 0.00 C ATOM 814 C GLY A 53 5.482 -16.667 -0.784 1.00 0.00 C ATOM 815 O GLY A 53 5.579 -16.387 0.413 1.00 0.00 O ATOM 0 H GLY A 53 3.688 -16.695 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.372 -17.076 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.380 -18.509 -0.937 1.00 0.00 H new ATOM 819 N VAL A 54 6.376 -16.224 -1.664 1.00 0.00 N ATOM 820 CA VAL A 54 7.638 -15.573 -1.353 1.00 0.00 C ATOM 821 C VAL A 54 7.437 -14.055 -1.356 1.00 0.00 C ATOM 822 O VAL A 54 6.790 -13.489 -2.250 1.00 0.00 O ATOM 823 CB VAL A 54 8.694 -15.996 -2.393 1.00 0.00 C ATOM 824 CG1 VAL A 54 10.082 -15.434 -2.077 1.00 0.00 C ATOM 825 CG2 VAL A 54 8.792 -17.528 -2.503 1.00 0.00 C ATOM 0 H VAL A 54 6.227 -16.317 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 54 7.987 -15.872 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 54 8.359 -15.581 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.789 -15.761 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.039 -14.345 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.407 -15.795 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.546 -17.792 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.073 -17.945 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.827 -17.933 -2.806 1.00 0.00 H new ATOM 835 N GLU A 55 8.066 -13.410 -0.376 1.00 0.00 N ATOM 836 CA GLU A 55 8.134 -11.973 -0.200 1.00 0.00 C ATOM 837 C GLU A 55 8.778 -11.283 -1.401 1.00 0.00 C ATOM 838 O GLU A 55 9.633 -11.848 -2.086 1.00 0.00 O ATOM 839 CB GLU A 55 8.889 -11.691 1.107 1.00 0.00 C ATOM 840 CG GLU A 55 10.386 -11.984 0.950 1.00 0.00 C ATOM 841 CD GLU A 55 11.106 -12.196 2.278 1.00 0.00 C ATOM 842 OE1 GLU A 55 10.881 -13.261 2.893 1.00 0.00 O ATOM 843 OE2 GLU A 55 11.921 -11.328 2.666 1.00 0.00 O ATOM 0 H GLU A 55 8.569 -13.912 0.356 1.00 0.00 H new ATOM 0 HA GLU A 55 7.128 -11.559 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.747 -10.650 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.477 -12.304 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.511 -12.873 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.856 -11.157 0.418 1.00 0.00 H new ATOM 850 N VAL A 56 8.397 -10.029 -1.605 1.00 0.00 N ATOM 851 CA VAL A 56 8.951 -9.101 -2.576 1.00 0.00 C ATOM 852 C VAL A 56 9.649 -7.917 -1.897 1.00 0.00 C ATOM 853 O VAL A 56 9.169 -7.464 -0.852 1.00 0.00 O ATOM 854 CB VAL A 56 7.872 -8.703 -3.606 1.00 0.00 C ATOM 855 CG1 VAL A 56 6.750 -9.711 -3.774 1.00 0.00 C ATOM 856 CG2 VAL A 56 7.311 -7.281 -3.723 1.00 0.00 C ATOM 0 H VAL A 56 7.644 -9.608 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 56 9.742 -9.597 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 56 8.576 -8.713 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.041 -9.346 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.163 -10.664 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.239 -9.849 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.566 -7.248 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.848 -6.994 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.120 -6.589 -3.955 1.00 0.00 H new ATOM 866 N PRO A 57 10.694 -7.325 -2.511 1.00 0.00 N ATOM 867 CA PRO A 57 11.198 -6.025 -2.108 1.00 0.00 C ATOM 868 C PRO A 57 10.108 -5.015 -2.429 1.00 0.00 C ATOM 869 O PRO A 57 9.870 -4.705 -3.594 1.00 0.00 O ATOM 870 CB PRO A 57 12.494 -5.806 -2.884 1.00 0.00 C ATOM 871 CG PRO A 57 12.232 -6.567 -4.178 1.00 0.00 C ATOM 872 CD PRO A 57 11.354 -7.743 -3.740 1.00 0.00 C ATOM 0 HA PRO A 57 11.427 -5.931 -1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.685 -4.748 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.359 -6.199 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.726 -5.942 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.160 -6.910 -4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.623 -7.990 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.956 -8.637 -3.574 1.00 0.00 H new ATOM 880 N GLY A 58 9.384 -4.602 -1.394 1.00 0.00 N ATOM 881 CA GLY A 58 8.284 -3.654 -1.452 1.00 0.00 C ATOM 882 C GLY A 58 6.991 -4.276 -0.969 1.00 0.00 C ATOM 883 O GLY A 58 6.015 -3.560 -0.758 1.00 0.00 O ATOM 0 H GLY A 58 9.559 -4.938 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.520 -2.783 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.159 -3.301 -2.476 1.00 0.00 H new ATOM 887 N CYS A 59 6.962 -5.597 -0.785 1.00 0.00 N ATOM 888 CA CYS A 59 5.757 -6.297 -0.383 1.00 0.00 C ATOM 889 C CYS A 59 5.418 -5.954 1.072 1.00 0.00 C ATOM 890 O CYS A 59 6.313 -5.729 1.894 1.00 0.00 O ATOM 891 CB CYS A 59 5.928 -7.816 -0.599 1.00 0.00 C ATOM 892 SG CYS A 59 4.320 -8.512 -1.092 1.00 0.00 S ATOM 0 H CYS A 59 7.773 -6.203 -0.912 1.00 0.00 H new ATOM 0 HA CYS A 59 4.920 -5.974 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.676 -8.008 -1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.282 -8.291 0.316 1.00 0.00 H new ATOM 0 HG CYS A 59 4.441 -9.792 -1.282 1.00 0.00 H new ATOM 898 N GLY A 60 4.116 -5.877 1.345 1.00 0.00 N ATOM 899 CA GLY A 60 3.499 -5.507 2.605 1.00 0.00 C ATOM 900 C GLY A 60 3.019 -4.065 2.560 1.00 0.00 C ATOM 901 O GLY A 60 2.006 -3.718 3.168 1.00 0.00 O ATOM 0 H GLY A 60 3.418 -6.089 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.659 -6.170 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.214 -5.633 3.418 1.00 0.00 H new ATOM 905 N LYS A 61 3.754 -3.183 1.884 1.00 0.00 N ATOM 906 CA LYS A 61 3.484 -1.751 1.906 1.00 0.00 C ATOM 907 C LYS A 61 2.430 -1.390 0.853 1.00 0.00 C ATOM 908 O LYS A 61 2.099 -2.210 -0.008 1.00 0.00 O ATOM 909 CB LYS A 61 4.790 -0.963 1.720 1.00 0.00 C ATOM 910 CG LYS A 61 5.967 -1.352 2.628 1.00 0.00 C ATOM 911 CD LYS A 61 6.913 -2.392 2.011 1.00 0.00 C ATOM 912 CE LYS A 61 8.112 -2.576 2.946 1.00 0.00 C ATOM 913 NZ LYS A 61 8.943 -3.758 2.624 1.00 0.00 N ATOM 0 H LYS A 61 4.553 -3.444 1.306 1.00 0.00 H new ATOM 0 HA LYS A 61 3.074 -1.475 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.109 -1.073 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.575 0.094 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.537 -0.455 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.575 -1.744 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.394 -3.340 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.247 -2.063 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.735 -1.683 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.752 -2.665 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.535 -4.000 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.327 -4.563 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.552 -3.543 1.809 1.00 0.00 H new ATOM 927 N ILE A 62 1.894 -0.168 0.913 1.00 0.00 N ATOM 928 CA ILE A 62 0.954 0.413 -0.049 1.00 0.00 C ATOM 929 C ILE A 62 1.434 1.848 -0.294 1.00 0.00 C ATOM 930 O ILE A 62 1.702 2.562 0.675 1.00 0.00 O ATOM 931 CB ILE A 62 -0.495 0.342 0.497 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.914 -1.146 0.582 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.450 1.178 -0.379 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.389 -1.405 0.899 1.00 0.00 C ATOM 0 H ILE A 62 2.115 0.476 1.673 1.00 0.00 H new ATOM 0 HA ILE A 62 0.932 -0.135 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.547 0.773 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.676 -1.626 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.307 -1.632 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.461 1.114 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.125 2.219 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.439 0.793 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.570 -2.479 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.637 -0.963 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.012 -0.957 0.125 1.00 0.00 H new ATOM 946 N PHE A 63 1.611 2.245 -1.558 1.00 0.00 N ATOM 947 CA PHE A 63 1.935 3.615 -1.970 1.00 0.00 C ATOM 948 C PHE A 63 0.631 4.277 -2.435 1.00 0.00 C ATOM 949 O PHE A 63 -0.299 3.581 -2.859 1.00 0.00 O ATOM 950 CB PHE A 63 2.981 3.603 -3.095 1.00 0.00 C ATOM 951 CG PHE A 63 4.182 2.696 -2.865 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.123 1.334 -3.228 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.339 3.192 -2.234 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.203 0.478 -2.945 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.426 2.336 -1.951 1.00 0.00 C ATOM 956 CZ PHE A 63 6.358 0.981 -2.318 1.00 0.00 C ATOM 0 H PHE A 63 1.530 1.603 -2.346 1.00 0.00 H new ATOM 0 HA PHE A 63 2.364 4.177 -1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.491 3.299 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.340 4.621 -3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.246 0.947 -3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.396 4.236 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.146 -0.568 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.305 2.721 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.193 0.325 -2.119 1.00 0.00 H new ATOM 966 N VAL A 64 0.553 5.604 -2.375 1.00 0.00 N ATOM 967 CA VAL A 64 -0.618 6.399 -2.739 1.00 0.00 C ATOM 968 C VAL A 64 -0.081 7.693 -3.368 1.00 0.00 C ATOM 969 O VAL A 64 0.978 8.177 -2.953 1.00 0.00 O ATOM 970 CB VAL A 64 -1.496 6.585 -1.470 1.00 0.00 C ATOM 971 CG1 VAL A 64 -0.799 7.430 -0.399 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.889 7.189 -1.668 1.00 0.00 C ATOM 0 H VAL A 64 1.335 6.178 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.274 5.931 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.634 5.549 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.453 7.531 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.129 6.943 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.577 8.418 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.394 7.263 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.796 8.183 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.471 6.552 -2.334 1.00 0.00 H new ATOM 982 N GLU A 65 -0.770 8.243 -4.364 1.00 0.00 N ATOM 983 CA GLU A 65 -0.359 9.430 -5.108 1.00 0.00 C ATOM 984 C GLU A 65 -1.448 10.495 -4.982 1.00 0.00 C ATOM 985 O GLU A 65 -2.634 10.148 -4.953 1.00 0.00 O ATOM 986 CB GLU A 65 -0.128 9.039 -6.580 1.00 0.00 C ATOM 987 CG GLU A 65 0.859 9.974 -7.293 1.00 0.00 C ATOM 988 CD GLU A 65 0.922 9.836 -8.821 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.671 8.949 -9.291 1.00 0.00 O ATOM 990 OE2 GLU A 65 0.390 10.702 -9.551 1.00 0.00 O ATOM 0 H GLU A 65 -1.660 7.862 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 65 0.570 9.837 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.248 8.017 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.081 9.052 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.596 11.003 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.856 9.796 -6.889 1.00 0.00 H new ATOM 997 N PHE A 66 -1.068 11.774 -4.962 1.00 0.00 N ATOM 998 CA PHE A 66 -1.986 12.909 -4.903 1.00 0.00 C ATOM 999 C PHE A 66 -1.691 13.893 -6.026 1.00 0.00 C ATOM 1000 O PHE A 66 -0.639 13.842 -6.659 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.878 13.631 -3.552 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.174 12.755 -2.358 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.126 12.038 -1.754 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.484 12.651 -1.850 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -1.382 11.230 -0.640 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -3.736 11.852 -0.721 1.00 0.00 C ATOM 1007 CZ PHE A 66 -2.680 11.142 -0.120 1.00 0.00 C ATOM 0 H PHE A 66 -0.088 12.054 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.999 12.523 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.872 14.038 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.566 14.476 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.124 12.111 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.293 13.184 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.578 10.674 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.735 11.783 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.871 10.526 0.746 1.00 0.00 H new ATOM 1017 N THR A 67 -2.611 14.829 -6.252 1.00 0.00 N ATOM 1018 CA THR A 67 -2.469 15.858 -7.274 1.00 0.00 C ATOM 1019 C THR A 67 -1.459 16.949 -6.882 1.00 0.00 C ATOM 1020 O THR A 67 -1.018 17.697 -7.760 1.00 0.00 O ATOM 1021 CB THR A 67 -3.855 16.459 -7.560 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.516 16.792 -6.357 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.772 15.473 -8.292 1.00 0.00 C ATOM 0 H THR A 67 -3.482 14.893 -5.725 1.00 0.00 H new ATOM 0 HA THR A 67 -2.068 15.396 -8.176 1.00 0.00 H new ATOM 0 HB THR A 67 -3.673 17.339 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.395 17.174 -6.562 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.740 15.941 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.320 15.194 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.909 14.581 -7.681 1.00 0.00 H new ATOM 1031 N SER A 68 -1.098 17.096 -5.599 1.00 0.00 N ATOM 1032 CA SER A 68 -0.092 18.049 -5.139 1.00 0.00 C ATOM 1033 C SER A 68 0.459 17.660 -3.767 1.00 0.00 C ATOM 1034 O SER A 68 -0.234 16.995 -2.989 1.00 0.00 O ATOM 1035 CB SER A 68 -0.697 19.456 -5.070 1.00 0.00 C ATOM 1036 OG SER A 68 -0.812 20.010 -6.363 1.00 0.00 O ATOM 0 H SER A 68 -1.507 16.545 -4.844 1.00 0.00 H new ATOM 0 HA SER A 68 0.731 18.037 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.679 19.413 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.072 20.097 -4.448 1.00 0.00 H new ATOM 0 HG SER A 68 -0.753 19.296 -7.031 1.00 0.00 H new ATOM 1042 N VAL A 69 1.650 18.175 -3.430 1.00 0.00 N ATOM 1043 CA VAL A 69 2.265 18.069 -2.104 1.00 0.00 C ATOM 1044 C VAL A 69 1.275 18.572 -1.050 1.00 0.00 C ATOM 1045 O VAL A 69 1.173 17.995 0.026 1.00 0.00 O ATOM 1046 CB VAL A 69 3.579 18.891 -2.022 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.299 18.634 -0.693 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.620 18.581 -3.105 1.00 0.00 C ATOM 0 H VAL A 69 2.227 18.692 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 69 2.512 17.023 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 69 3.235 19.918 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.217 19.220 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.651 18.924 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.542 17.575 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.498 19.209 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.909 17.532 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.193 18.781 -4.088 1.00 0.00 H new ATOM 1058 N PHE A 70 0.532 19.641 -1.358 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.440 20.253 -0.459 1.00 0.00 C ATOM 1060 C PHE A 70 -1.422 19.235 0.095 1.00 0.00 C ATOM 1061 O PHE A 70 -1.624 19.198 1.306 1.00 0.00 O ATOM 1062 CB PHE A 70 -1.222 21.334 -1.209 1.00 0.00 C ATOM 1063 CG PHE A 70 -0.574 22.690 -1.124 1.00 0.00 C ATOM 1064 CD1 PHE A 70 0.407 23.079 -2.050 1.00 0.00 C ATOM 1065 CD2 PHE A 70 -0.948 23.560 -0.086 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.008 24.341 -1.933 1.00 0.00 C ATOM 1067 CE2 PHE A 70 -0.379 24.837 0.002 1.00 0.00 C ATOM 1068 CZ PHE A 70 0.597 25.227 -0.923 1.00 0.00 C ATOM 0 H PHE A 70 0.595 20.112 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 70 0.113 20.685 0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.316 21.047 -2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.232 21.393 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.697 22.411 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.676 23.243 0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.788 24.632 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.692 25.518 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.035 26.212 -0.860 1.00 0.00 H new ATOM 1078 N ASP A 71 -2.055 18.467 -0.789 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.100 17.515 -0.431 1.00 0.00 C ATOM 1080 C ASP A 71 -2.469 16.398 0.392 1.00 0.00 C ATOM 1081 O ASP A 71 -2.979 16.044 1.460 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.800 16.998 -1.699 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.836 17.973 -2.285 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.751 19.206 -2.048 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.727 17.499 -3.013 1.00 0.00 O ATOM 0 H ASP A 71 -1.852 18.490 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.872 17.990 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.046 16.787 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.294 16.054 -1.469 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.303 15.915 -0.047 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.544 14.907 0.671 1.00 0.00 C ATOM 1092 C CYS A 72 -0.196 15.386 2.090 1.00 0.00 C ATOM 1093 O CYS A 72 -0.321 14.623 3.045 1.00 0.00 O ATOM 1094 CB CYS A 72 0.715 14.546 -0.133 1.00 0.00 C ATOM 1095 SG CYS A 72 1.417 13.000 0.495 1.00 0.00 S ATOM 0 H CYS A 72 -0.863 16.219 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.153 14.009 0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.466 14.441 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.449 15.348 -0.057 1.00 0.00 H new ATOM 0 HG CYS A 72 0.652 12.006 0.154 1.00 0.00 H new ATOM 1101 N GLN A 73 0.201 16.650 2.256 1.00 0.00 N ATOM 1102 CA GLN A 73 0.558 17.244 3.535 1.00 0.00 C ATOM 1103 C GLN A 73 -0.618 17.279 4.522 1.00 0.00 C ATOM 1104 O GLN A 73 -0.383 17.381 5.734 1.00 0.00 O ATOM 1105 CB GLN A 73 1.159 18.650 3.305 1.00 0.00 C ATOM 1106 CG GLN A 73 2.688 18.628 3.140 1.00 0.00 C ATOM 1107 CD GLN A 73 3.300 20.030 3.191 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.169 20.737 4.184 1.00 0.00 O ATOM 1109 NE2 GLN A 73 4.020 20.468 2.174 1.00 0.00 N ATOM 0 H GLN A 73 0.283 17.303 1.477 1.00 0.00 H new ATOM 0 HA GLN A 73 1.312 16.610 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.709 19.091 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.899 19.293 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.127 18.014 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.942 18.158 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.135 19.888 1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.461 21.387 2.219 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.873 17.198 4.064 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.049 17.105 4.923 1.00 0.00 C ATOM 1120 C LYS A 74 -3.349 15.630 5.183 1.00 0.00 C ATOM 1121 O LYS A 74 -3.563 15.233 6.327 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.252 17.844 4.293 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.869 19.054 3.421 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.905 20.178 3.302 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.464 21.065 2.121 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.309 22.261 1.927 1.00 0.00 N ATOM 0 H LYS A 74 -2.098 17.196 3.069 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.854 17.595 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.819 17.138 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.914 18.181 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.949 19.481 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.644 18.692 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.901 19.770 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.955 20.758 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.433 21.382 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.476 20.471 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.954 22.809 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.290 21.967 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.279 22.850 2.784 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.331 14.814 4.126 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.624 13.388 4.177 1.00 0.00 C ATOM 1142 C ALA A 75 -2.568 12.590 4.950 1.00 0.00 C ATOM 1143 O ALA A 75 -2.829 11.442 5.303 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.733 12.856 2.744 1.00 0.00 C ATOM 0 H ALA A 75 -3.105 15.141 3.187 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.565 13.260 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.952 11.789 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.534 13.379 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.791 13.021 2.222 1.00 0.00 H new ATOM 1150 N MET A 76 -1.389 13.167 5.194 1.00 0.00 N ATOM 1151 CA MET A 76 -0.369 12.670 6.100 1.00 0.00 C ATOM 1152 C MET A 76 -0.968 12.604 7.504 1.00 0.00 C ATOM 1153 O MET A 76 -1.438 11.548 7.929 1.00 0.00 O ATOM 1154 CB MET A 76 0.890 13.557 5.966 1.00 0.00 C ATOM 1155 CG MET A 76 1.928 13.451 7.094 1.00 0.00 C ATOM 1156 SD MET A 76 2.502 11.785 7.494 1.00 0.00 S ATOM 1157 CE MET A 76 3.812 11.642 6.264 1.00 0.00 C ATOM 0 H MET A 76 -1.113 14.037 4.739 1.00 0.00 H new ATOM 0 HA MET A 76 -0.044 11.658 5.859 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.382 13.310 5.025 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.569 14.596 5.895 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.793 14.056 6.822 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.502 13.892 7.995 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.902 10.603 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.571 12.264 5.402 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.756 11.972 6.698 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.985 13.727 8.232 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.233 13.654 9.670 1.00 0.00 C ATOM 1169 C GLN A 77 -2.686 13.283 9.976 1.00 0.00 C ATOM 1170 O GLN A 77 -2.948 12.730 11.047 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.834 14.935 10.413 1.00 0.00 C ATOM 1172 CG GLN A 77 0.649 15.321 10.280 1.00 0.00 C ATOM 1173 CD GLN A 77 1.096 16.312 11.358 1.00 0.00 C ATOM 1174 OE1 GLN A 77 0.354 16.648 12.277 1.00 0.00 O ATOM 1175 NE2 GLN A 77 2.345 16.737 11.328 1.00 0.00 N ATOM 0 H GLN A 77 -0.835 14.666 7.862 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.589 12.857 10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.444 15.759 10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.070 14.814 11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.262 14.422 10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.821 15.758 9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.961 16.457 10.564 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.695 17.345 12.069 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.616 13.521 9.046 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.018 13.188 9.225 1.00 0.00 C ATOM 1186 C GLY A 78 -5.245 11.688 9.374 1.00 0.00 C ATOM 1187 O GLY A 78 -6.202 11.266 10.036 1.00 0.00 O ATOM 0 H GLY A 78 -3.408 13.953 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.400 13.700 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.588 13.556 8.372 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.357 10.882 8.781 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.481 9.434 8.675 1.00 0.00 C ATOM 1193 C LEU A 79 -3.400 8.710 9.489 1.00 0.00 C ATOM 1194 O LEU A 79 -3.449 7.485 9.617 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.454 9.025 7.190 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.614 9.593 6.332 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.453 9.223 4.855 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -6.991 9.115 6.809 1.00 0.00 C ATOM 0 H LEU A 79 -3.505 11.238 8.348 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.437 9.130 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.508 9.350 6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.475 7.937 7.128 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.562 10.675 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.283 9.637 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.515 9.630 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.446 8.138 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.765 9.543 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.037 8.027 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.150 9.434 7.839 1.00 0.00 H new ATOM 1210 N THR A 80 -2.458 9.427 10.105 1.00 0.00 N ATOM 1211 CA THR A 80 -1.531 8.856 11.071 1.00 0.00 C ATOM 1212 C THR A 80 -2.332 8.212 12.214 1.00 0.00 C ATOM 1213 O THR A 80 -2.885 8.905 13.067 1.00 0.00 O ATOM 1214 CB THR A 80 -0.564 9.946 11.567 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.149 10.488 10.469 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.442 9.366 12.564 1.00 0.00 C ATOM 0 H THR A 80 -2.320 10.425 9.944 1.00 0.00 H new ATOM 0 HA THR A 80 -0.925 8.076 10.611 1.00 0.00 H new ATOM 0 HB THR A 80 -1.151 10.722 12.058 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.108 10.492 10.671 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.115 10.154 12.901 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.091 8.953 13.420 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.019 8.577 12.081 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.382 6.877 12.260 1.00 0.00 N ATOM 1225 CA GLY A 81 -3.067 6.124 13.304 1.00 0.00 C ATOM 1226 C GLY A 81 -4.471 5.662 12.914 1.00 0.00 C ATOM 1227 O GLY A 81 -5.126 4.987 13.713 1.00 0.00 O ATOM 0 H GLY A 81 -1.939 6.283 11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.467 5.252 13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.134 6.742 14.200 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.942 5.974 11.700 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.152 5.370 11.133 1.00 0.00 C ATOM 1233 C ARG A 82 -5.962 3.862 10.935 1.00 0.00 C ATOM 1234 O ARG A 82 -4.919 3.307 11.296 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.538 6.108 9.836 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.445 7.317 10.117 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.934 6.950 10.234 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.554 6.741 8.919 1.00 0.00 N ATOM 1239 CZ ARG A 82 -10.807 6.346 8.669 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -11.696 6.114 9.620 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -11.178 6.175 7.420 1.00 0.00 N ATOM 0 H ARG A 82 -4.494 6.652 11.084 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.984 5.481 11.828 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.635 6.442 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.049 5.419 9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.123 7.796 11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.320 8.049 9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.038 6.045 10.832 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.463 7.744 10.762 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.963 6.917 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.438 6.235 10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.639 5.814 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.515 6.343 6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.129 5.874 7.207 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.999 3.183 10.448 1.00 0.00 N ATOM 1256 CA LYS A 83 -7.123 1.740 10.431 1.00 0.00 C ATOM 1257 C LYS A 83 -7.603 1.340 9.047 1.00 0.00 C ATOM 1258 O LYS A 83 -8.801 1.149 8.859 1.00 0.00 O ATOM 1259 CB LYS A 83 -8.110 1.282 11.514 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.640 1.595 12.936 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.661 1.041 13.931 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.173 1.152 15.376 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.028 0.347 16.273 1.00 0.00 N ATOM 0 H LYS A 83 -7.807 3.651 10.038 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.166 1.264 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.073 1.762 11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.268 0.208 11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.661 1.151 13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.531 2.671 13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.602 1.581 13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.865 -0.004 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.140 0.810 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.185 2.195 15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.683 0.433 17.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.008 0.691 16.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.995 -0.651 15.981 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.706 1.189 8.077 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.036 0.877 6.680 1.00 0.00 C ATOM 1279 C PHE A 84 -7.365 -0.637 6.549 1.00 0.00 C ATOM 1280 O PHE A 84 -6.931 -1.304 5.610 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.868 1.313 5.764 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.624 2.794 5.467 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -5.937 3.819 6.385 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.024 3.151 4.240 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -5.633 5.160 6.084 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -4.751 4.495 3.917 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.055 5.501 4.847 1.00 0.00 C ATOM 0 H PHE A 84 -5.703 1.281 8.239 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.921 1.429 6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.951 0.918 6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.006 0.811 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.412 3.573 7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.768 2.376 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.845 5.933 6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.312 4.748 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.846 6.535 4.614 1.00 0.00 H new ATOM 1297 N ALA A 85 -8.043 -1.200 7.557 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.720 -2.487 7.700 1.00 0.00 C ATOM 1299 C ALA A 85 -9.178 -2.560 9.159 1.00 0.00 C ATOM 1300 O ALA A 85 -10.365 -2.462 9.477 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.833 -3.695 7.379 1.00 0.00 C ATOM 0 H ALA A 85 -8.140 -0.674 8.425 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.542 -2.537 6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.407 -4.613 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.485 -3.627 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.975 -3.706 8.052 1.00 0.00 H new ATOM 1307 N ASN A 86 -8.195 -2.687 10.058 1.00 0.00 N ATOM 1308 CA ASN A 86 -8.355 -2.774 11.510 1.00 0.00 C ATOM 1309 C ASN A 86 -7.085 -2.330 12.241 1.00 0.00 C ATOM 1310 O ASN A 86 -7.161 -1.834 13.363 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.667 -4.230 11.915 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.969 -4.340 12.700 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -10.147 -3.694 13.735 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.892 -5.161 12.220 1.00 0.00 N ATOM 0 H ASN A 86 -7.216 -2.734 9.775 1.00 0.00 H new ATOM 0 HA ASN A 86 -9.175 -2.113 11.791 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.730 -4.849 11.020 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.847 -4.622 12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.780 -5.272 12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.714 -5.682 11.361 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.899 -2.504 11.644 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.638 -2.311 12.365 1.00 0.00 C ATOM 1323 C ARG A 87 -4.197 -0.877 12.245 1.00 0.00 C ATOM 1324 O ARG A 87 -4.628 -0.171 11.343 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.522 -3.232 11.856 1.00 0.00 C ATOM 1326 CG ARG A 87 -4.026 -4.665 11.718 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.952 -5.620 11.199 1.00 0.00 C ATOM 1328 NE ARG A 87 -2.012 -5.980 12.262 1.00 0.00 N ATOM 1329 CZ ARG A 87 -2.259 -6.843 13.248 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -3.428 -7.464 13.355 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -1.321 -7.090 14.142 1.00 0.00 N ATOM 0 H ARG A 87 -5.788 -2.777 10.667 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.823 -2.566 13.409 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.160 -2.874 10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.677 -3.203 12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.381 -5.016 12.687 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.880 -4.682 11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.422 -6.521 10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.413 -5.153 10.375 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.094 -5.535 12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.165 -7.286 12.672 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.589 -8.119 14.120 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.417 -6.622 14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.500 -7.748 14.900 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.291 -0.463 13.113 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.801 0.911 13.081 1.00 0.00 C ATOM 1347 C VAL A 88 -2.063 1.141 11.769 1.00 0.00 C ATOM 1348 O VAL A 88 -1.306 0.269 11.348 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.937 1.215 14.318 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -0.636 0.419 14.345 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.626 2.709 14.451 1.00 0.00 C ATOM 0 H VAL A 88 -2.881 -1.047 13.842 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.637 1.609 13.123 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.540 0.903 15.171 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.070 0.677 15.240 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.862 -0.647 14.353 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.045 0.658 13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.014 2.876 15.338 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.085 3.048 13.568 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.557 3.268 14.542 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.238 2.306 11.153 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.472 2.720 9.996 1.00 0.00 C ATOM 1363 C VAL A 89 -0.388 3.685 10.463 1.00 0.00 C ATOM 1364 O VAL A 89 -0.640 4.620 11.234 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.434 3.305 8.948 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.697 3.968 7.775 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.327 2.169 8.425 1.00 0.00 C ATOM 0 H VAL A 89 -2.928 2.995 11.453 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.964 1.887 9.510 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.028 4.084 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.424 4.364 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.075 4.781 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.068 3.230 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.018 2.563 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.705 1.397 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.892 1.740 9.252 1.00 0.00 H new ATOM 1377 N VAL A 90 0.826 3.453 9.974 1.00 0.00 N ATOM 1378 CA VAL A 90 1.951 4.372 10.030 1.00 0.00 C ATOM 1379 C VAL A 90 2.181 4.850 8.599 1.00 0.00 C ATOM 1380 O VAL A 90 2.310 4.050 7.667 1.00 0.00 O ATOM 1381 CB VAL A 90 3.203 3.755 10.700 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.243 4.139 12.180 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.266 2.222 10.629 1.00 0.00 C ATOM 0 H VAL A 90 1.060 2.577 9.507 1.00 0.00 H new ATOM 0 HA VAL A 90 1.731 5.223 10.675 1.00 0.00 H new ATOM 0 HB VAL A 90 4.050 4.153 10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.126 3.702 12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.283 5.224 12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.348 3.765 12.677 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.173 1.872 11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.395 1.798 11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.274 1.906 9.586 1.00 0.00 H new ATOM 1393 N THR A 91 2.124 6.166 8.445 1.00 0.00 N ATOM 1394 CA THR A 91 2.321 6.960 7.242 1.00 0.00 C ATOM 1395 C THR A 91 3.834 7.242 7.057 1.00 0.00 C ATOM 1396 O THR A 91 4.611 7.238 8.023 1.00 0.00 O ATOM 1397 CB THR A 91 1.551 8.285 7.488 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.617 8.661 8.862 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.070 8.143 7.121 1.00 0.00 C ATOM 0 H THR A 91 1.917 6.765 9.244 1.00 0.00 H new ATOM 0 HA THR A 91 1.964 6.453 6.345 1.00 0.00 H new ATOM 0 HB THR A 91 2.021 9.042 6.861 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.933 9.337 9.049 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.442 9.087 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.020 7.880 6.067 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.382 7.361 7.730 1.00 0.00 H new ATOM 1407 N LYS A 92 4.267 7.499 5.814 1.00 0.00 N ATOM 1408 CA LYS A 92 5.608 7.956 5.430 1.00 0.00 C ATOM 1409 C LYS A 92 5.499 8.736 4.127 1.00 0.00 C ATOM 1410 O LYS A 92 4.817 8.262 3.222 1.00 0.00 O ATOM 1411 CB LYS A 92 6.515 6.751 5.131 1.00 0.00 C ATOM 1412 CG LYS A 92 7.211 6.177 6.361 1.00 0.00 C ATOM 1413 CD LYS A 92 8.170 5.069 5.916 1.00 0.00 C ATOM 1414 CE LYS A 92 9.145 4.691 7.032 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.321 3.980 6.488 1.00 0.00 N ATOM 0 H LYS A 92 3.655 7.387 5.005 1.00 0.00 H new ATOM 0 HA LYS A 92 6.016 8.557 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.918 5.967 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.271 7.050 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.758 6.961 6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.475 5.780 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.599 4.190 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.728 5.399 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.469 5.590 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.640 4.060 7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.968 3.734 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.010 3.111 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.814 4.594 5.808 1.00 0.00 H new ATOM 1429 N TYR A 93 6.204 9.855 3.972 1.00 0.00 N ATOM 1430 CA TYR A 93 6.434 10.412 2.637 1.00 0.00 C ATOM 1431 C TYR A 93 7.336 9.438 1.887 1.00 0.00 C ATOM 1432 O TYR A 93 8.378 9.045 2.426 1.00 0.00 O ATOM 1433 CB TYR A 93 7.073 11.806 2.705 1.00 0.00 C ATOM 1434 CG TYR A 93 6.134 12.874 3.228 1.00 0.00 C ATOM 1435 CD1 TYR A 93 4.979 13.210 2.493 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.413 13.531 4.441 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.066 14.150 3.001 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.506 14.476 4.950 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.321 14.773 4.241 1.00 0.00 C ATOM 1440 OH TYR A 93 3.420 15.644 4.758 1.00 0.00 O ATOM 0 H TYR A 93 6.620 10.387 4.737 1.00 0.00 H new ATOM 0 HA TYR A 93 5.483 10.536 2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.954 11.763 3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.415 12.089 1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.795 12.744 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.322 13.309 4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.173 14.394 2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.715 14.976 5.884 1.00 0.00 H new ATOM 0 HH TYR A 93 3.748 15.982 5.617 1.00 0.00 H new ATOM 1450 N CYS A 94 6.920 9.028 0.688 1.00 0.00 N ATOM 1451 CA CYS A 94 7.691 8.185 -0.217 1.00 0.00 C ATOM 1452 C CYS A 94 8.380 9.085 -1.249 1.00 0.00 C ATOM 1453 O CYS A 94 8.054 10.270 -1.319 1.00 0.00 O ATOM 1454 CB CYS A 94 6.726 7.172 -0.861 1.00 0.00 C ATOM 1455 SG CYS A 94 7.336 5.504 -0.518 1.00 0.00 S ATOM 0 H CYS A 94 6.007 9.284 0.311 1.00 0.00 H new ATOM 0 HA CYS A 94 8.469 7.625 0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.721 7.298 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.663 7.339 -1.936 1.00 0.00 H new ATOM 0 HG CYS A 94 6.861 4.678 -1.402 1.00 0.00 H new ATOM 1461 N ASP A 95 9.307 8.565 -2.058 1.00 0.00 N ATOM 1462 CA ASP A 95 9.766 9.324 -3.221 1.00 0.00 C ATOM 1463 C ASP A 95 8.901 8.921 -4.417 1.00 0.00 C ATOM 1464 O ASP A 95 8.618 7.726 -4.574 1.00 0.00 O ATOM 1465 CB ASP A 95 11.229 9.035 -3.582 1.00 0.00 C ATOM 1466 CG ASP A 95 12.247 9.740 -2.691 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.027 10.909 -2.294 1.00 0.00 O ATOM 1468 OD2 ASP A 95 13.328 9.155 -2.445 1.00 0.00 O ATOM 0 H ASP A 95 9.742 7.651 -1.935 1.00 0.00 H new ATOM 0 HA ASP A 95 9.685 10.384 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.399 7.960 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.401 9.333 -4.616 1.00 0.00 H new ATOM 1473 N PRO A 96 8.576 9.863 -5.314 1.00 0.00 N ATOM 1474 CA PRO A 96 7.827 9.590 -6.527 1.00 0.00 C ATOM 1475 C PRO A 96 8.703 8.951 -7.608 1.00 0.00 C ATOM 1476 O PRO A 96 8.168 8.240 -8.446 1.00 0.00 O ATOM 1477 CB PRO A 96 7.284 10.939 -6.998 1.00 0.00 C ATOM 1478 CG PRO A 96 8.291 11.935 -6.444 1.00 0.00 C ATOM 1479 CD PRO A 96 8.801 11.286 -5.170 1.00 0.00 C ATOM 0 HA PRO A 96 7.026 8.876 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.224 10.991 -8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.281 11.125 -6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.101 12.115 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.825 12.899 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.860 11.498 -5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.275 11.676 -4.299 1.00 0.00 H new ATOM 1487 N ASP A 97 10.020 9.199 -7.626 1.00 0.00 N ATOM 1488 CA ASP A 97 10.869 8.789 -8.757 1.00 0.00 C ATOM 1489 C ASP A 97 10.839 7.285 -8.948 1.00 0.00 C ATOM 1490 O ASP A 97 10.476 6.786 -10.013 1.00 0.00 O ATOM 1491 CB ASP A 97 12.331 9.213 -8.584 1.00 0.00 C ATOM 1492 CG ASP A 97 12.910 9.656 -9.914 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.562 10.782 -10.346 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.717 8.903 -10.500 1.00 0.00 O ATOM 0 H ASP A 97 10.519 9.678 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 97 10.455 9.294 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.398 10.026 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.913 8.383 -8.184 1.00 0.00 H new ATOM 1499 N SER A 98 11.209 6.568 -7.884 1.00 0.00 N ATOM 1500 CA SER A 98 11.188 5.128 -7.903 1.00 0.00 C ATOM 1501 C SER A 98 9.741 4.648 -8.023 1.00 0.00 C ATOM 1502 O SER A 98 9.515 3.622 -8.660 1.00 0.00 O ATOM 1503 CB SER A 98 11.882 4.564 -6.655 1.00 0.00 C ATOM 1504 OG SER A 98 13.287 4.786 -6.727 1.00 0.00 O ATOM 0 H SER A 98 11.525 6.975 -7.004 1.00 0.00 H new ATOM 0 HA SER A 98 11.742 4.760 -8.767 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.478 5.038 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.680 3.496 -6.569 1.00 0.00 H new ATOM 0 HG SER A 98 13.695 4.114 -7.312 1.00 0.00 H new ATOM 1510 N TYR A 99 8.766 5.365 -7.442 1.00 0.00 N ATOM 1511 CA TYR A 99 7.355 4.988 -7.434 1.00 0.00 C ATOM 1512 C TYR A 99 6.735 5.003 -8.832 1.00 0.00 C ATOM 1513 O TYR A 99 5.858 4.186 -9.118 1.00 0.00 O ATOM 1514 CB TYR A 99 6.599 5.938 -6.496 1.00 0.00 C ATOM 1515 CG TYR A 99 5.092 5.825 -6.543 1.00 0.00 C ATOM 1516 CD1 TYR A 99 4.472 4.583 -6.304 1.00 0.00 C ATOM 1517 CD2 TYR A 99 4.311 6.956 -6.850 1.00 0.00 C ATOM 1518 CE1 TYR A 99 3.078 4.468 -6.389 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.923 6.839 -6.865 1.00 0.00 C ATOM 1520 CZ TYR A 99 2.287 5.603 -6.646 1.00 0.00 C ATOM 1521 OH TYR A 99 0.933 5.487 -6.728 1.00 0.00 O ATOM 0 H TYR A 99 8.948 6.243 -6.955 1.00 0.00 H new ATOM 0 HA TYR A 99 7.276 3.961 -7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.930 5.753 -5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.878 6.963 -6.741 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.071 3.719 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.782 7.902 -7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.609 3.504 -6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.321 7.717 -7.049 1.00 0.00 H new ATOM 0 HH TYR A 99 0.632 4.752 -6.154 1.00 0.00 H new ATOM 1531 N HIS A 100 7.207 5.869 -9.730 1.00 0.00 N ATOM 1532 CA HIS A 100 6.833 5.870 -11.139 1.00 0.00 C ATOM 1533 C HIS A 100 7.290 4.598 -11.875 1.00 0.00 C ATOM 1534 O HIS A 100 7.014 4.450 -13.071 1.00 0.00 O ATOM 1535 CB HIS A 100 7.439 7.115 -11.804 1.00 0.00 C ATOM 1536 CG HIS A 100 6.842 8.423 -11.342 1.00 0.00 C ATOM 1537 ND1 HIS A 100 7.529 9.591 -11.073 1.00 0.00 N ATOM 1538 CD2 HIS A 100 5.507 8.678 -11.171 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.622 10.530 -10.759 1.00 0.00 C ATOM 1540 NE2 HIS A 100 5.379 10.027 -10.825 1.00 0.00 N ATOM 0 H HIS A 100 7.873 6.603 -9.490 1.00 0.00 H new ATOM 0 HA HIS A 100 5.745 5.889 -11.203 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.511 7.130 -11.609 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.312 7.033 -12.884 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.701 7.968 -11.283 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.860 11.549 -10.491 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.509 10.532 -10.655 1.00 0.00 H new ATOM 1548 N ARG A 101 8.001 3.688 -11.202 1.00 0.00 N ATOM 1549 CA ARG A 101 8.584 2.466 -11.733 1.00 0.00 C ATOM 1550 C ARG A 101 8.368 1.341 -10.723 1.00 0.00 C ATOM 1551 O ARG A 101 7.850 1.551 -9.630 1.00 0.00 O ATOM 1552 CB ARG A 101 10.089 2.687 -11.986 1.00 0.00 C ATOM 1553 CG ARG A 101 10.374 3.939 -12.826 1.00 0.00 C ATOM 1554 CD ARG A 101 11.754 3.849 -13.464 1.00 0.00 C ATOM 1555 NE ARG A 101 12.011 5.001 -14.334 1.00 0.00 N ATOM 1556 CZ ARG A 101 12.603 4.979 -15.529 1.00 0.00 C ATOM 1557 NH1 ARG A 101 13.024 3.832 -16.058 1.00 0.00 N ATOM 1558 NH2 ARG A 101 12.763 6.111 -16.195 1.00 0.00 N ATOM 0 H ARG A 101 8.193 3.799 -10.206 1.00 0.00 H new ATOM 0 HA ARG A 101 8.110 2.196 -12.676 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.605 2.772 -11.030 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.499 1.814 -12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.615 4.045 -13.601 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.314 4.827 -12.197 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.515 3.801 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.831 2.928 -14.043 1.00 0.00 H new ATOM 0 HE ARG A 101 11.706 5.912 -13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.895 2.958 -15.549 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.475 3.828 -16.973 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.435 6.990 -15.794 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.214 6.105 -17.110 1.00 0.00 H new ATOM 1572 N ARG A 102 8.831 0.134 -11.047 1.00 0.00 N ATOM 1573 CA ARG A 102 8.804 -1.019 -10.149 1.00 0.00 C ATOM 1574 C ARG A 102 9.966 -1.001 -9.139 1.00 0.00 C ATOM 1575 O ARG A 102 10.387 -2.059 -8.673 1.00 0.00 O ATOM 1576 CB ARG A 102 8.772 -2.306 -10.991 1.00 0.00 C ATOM 1577 CG ARG A 102 8.217 -3.509 -10.218 1.00 0.00 C ATOM 1578 CD ARG A 102 6.785 -3.790 -10.682 1.00 0.00 C ATOM 1579 NE ARG A 102 6.035 -4.610 -9.712 1.00 0.00 N ATOM 1580 CZ ARG A 102 6.179 -5.926 -9.504 1.00 0.00 C ATOM 1581 NH1 ARG A 102 7.057 -6.640 -10.209 1.00 0.00 N ATOM 1582 NH2 ARG A 102 5.425 -6.504 -8.579 1.00 0.00 N ATOM 0 H ARG A 102 9.243 -0.073 -11.957 1.00 0.00 H new ATOM 0 HA ARG A 102 7.900 -0.976 -9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.163 -2.138 -11.879 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.781 -2.535 -11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.844 -4.385 -10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.232 -3.306 -9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.263 -2.846 -10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.811 -4.301 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 102 5.338 -4.128 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.631 -6.185 -10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.154 -7.641 -10.038 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.756 -5.948 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.514 -7.504 -8.400 1.00 0.00 H new ATOM 1596 N ASP A 103 10.580 0.151 -8.863 1.00 0.00 N ATOM 1597 CA ASP A 103 11.833 0.216 -8.099 1.00 0.00 C ATOM 1598 C ASP A 103 11.602 0.193 -6.576 1.00 0.00 C ATOM 1599 O ASP A 103 12.151 1.010 -5.829 1.00 0.00 O ATOM 1600 CB ASP A 103 12.653 1.425 -8.563 1.00 0.00 C ATOM 1601 CG ASP A 103 14.035 1.452 -7.919 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.655 0.369 -7.806 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.511 2.541 -7.513 1.00 0.00 O ATOM 0 H ASP A 103 10.228 1.061 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 103 12.411 -0.685 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.758 1.399 -9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.119 2.343 -8.317 1.00 0.00 H new ATOM 1608 N PHE A 104 10.733 -0.707 -6.100 1.00 0.00 N ATOM 1609 CA PHE A 104 10.366 -0.785 -4.690 1.00 0.00 C ATOM 1610 C PHE A 104 11.484 -1.514 -3.941 1.00 0.00 C ATOM 1611 O PHE A 104 11.952 -2.559 -4.399 1.00 0.00 O ATOM 1612 CB PHE A 104 9.017 -1.506 -4.495 1.00 0.00 C ATOM 1613 CG PHE A 104 7.942 -1.180 -5.515 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.377 0.105 -5.568 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.562 -2.148 -6.460 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.545 0.474 -6.641 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.719 -1.784 -7.519 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.246 -0.469 -7.641 1.00 0.00 C ATOM 0 H PHE A 104 10.267 -1.400 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 104 10.245 0.223 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.195 -2.581 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.636 -1.263 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.583 0.814 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.917 -3.164 -6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.139 1.473 -6.696 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.430 -2.525 -8.250 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.655 -0.182 -8.498 1.00 0.00 H new ATOM 1628 N TRP A 105 11.892 -0.973 -2.794 1.00 0.00 N ATOM 1629 CA TRP A 105 12.836 -1.577 -1.870 1.00 0.00 C ATOM 1630 C TRP A 105 12.696 -0.861 -0.548 1.00 0.00 C ATOM 1631 O TRP A 105 12.627 0.389 -0.571 1.00 0.00 O ATOM 1632 CB TRP A 105 14.271 -1.454 -2.392 1.00 0.00 C ATOM 1633 CG TRP A 105 15.061 -2.717 -2.306 1.00 0.00 C ATOM 1634 CD1 TRP A 105 15.223 -3.487 -1.209 1.00 0.00 C ATOM 1635 CD2 TRP A 105 15.829 -3.356 -3.361 1.00 0.00 C ATOM 1636 NE1 TRP A 105 16.043 -4.554 -1.510 1.00 0.00 N ATOM 1637 CE2 TRP A 105 16.465 -4.510 -2.821 1.00 0.00 C ATOM 1638 CE3 TRP A 105 16.086 -3.049 -4.714 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 17.338 -5.303 -3.582 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 16.961 -3.835 -5.487 1.00 0.00 C ATOM 1641 CH2 TRP A 105 17.591 -4.957 -4.920 1.00 0.00 C ATOM 0 H TRP A 105 11.557 -0.064 -2.475 1.00 0.00 H new ATOM 0 HA TRP A 105 12.623 -2.640 -1.759 1.00 0.00 H new ATOM 0 HB2 TRP A 105 14.241 -1.127 -3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 105 14.786 -0.677 -1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 105 14.778 -3.296 -0.243 1.00 0.00 H new ATOM 0 HE1 TRP A 105 16.304 -5.283 -0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 105 15.602 -2.195 -5.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 17.810 -6.170 -3.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 17.149 -3.576 -6.518 1.00 0.00 H new ATOM 0 HH2 TRP A 105 18.269 -5.553 -5.513 1.00 0.00 H new TER 1652 TRP A 105