USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 742 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 71 LYS NZ :NH3+ 164:sc= -0.0584 (180deg=-0.348) USER MOD Set 1.2: A 89 SER OG : rot 140:sc= -0.0204 USER MOD Single : A 3 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 4 MET CE :methyl 161:sc= -0.17 (180deg=-0.709) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -62:sc= 0.983 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= -3.13! (180deg=-5.85!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 44 CYS SG : rot 170:sc= -1.09 USER MOD Single : A 46 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-3.7!) USER MOD Single : A 47 ASN : amide:sc= -0.0172 K(o=-0.017,f=-2.9!) USER MOD Single : A 48 CYS SG : rot 56:sc= 0.278 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -159:sc= -0.116 (180deg=-0.687) USER MOD Single : A 56 SER OG : rot -9:sc= 0.974 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0478 (180deg=-0.289) USER MOD Single : A 62 CYS SG : rot 27:sc= -4.05! USER MOD Single : A 66 GLN : amide:sc= -0.0016 X(o=-0.0016,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0341) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -130:sc= 0.129 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.05 (180deg=-0.299) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -147:sc= -1.83 (180deg=-2.69!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.551! USER MOD Single : A 86 SER OG : rot 34:sc=-0.00768 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= -4.05! (180deg=-8.8!) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.0259 (180deg=-0.203) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -20.322 7.874 -6.192 1.00 0.00 N ATOM 2 CA HIS A 3 -19.848 6.649 -6.888 1.00 0.00 C ATOM 3 C HIS A 3 -20.072 5.404 -6.033 1.00 0.00 C ATOM 4 O HIS A 3 -19.183 4.560 -5.911 1.00 0.00 O ATOM 5 CB HIS A 3 -18.359 6.813 -7.207 1.00 0.00 C ATOM 6 CG HIS A 3 -18.062 7.934 -8.158 1.00 0.00 C ATOM 7 ND1 HIS A 3 -16.782 8.266 -8.550 1.00 0.00 N ATOM 8 CD2 HIS A 3 -18.886 8.799 -8.801 1.00 0.00 C ATOM 9 CE1 HIS A 3 -16.831 9.284 -9.391 1.00 0.00 C ATOM 10 NE2 HIS A 3 -18.095 9.624 -9.560 1.00 0.00 N ATOM 0 HA HIS A 3 -20.417 6.519 -7.809 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.815 6.984 -6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.983 5.881 -7.630 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.963 8.832 -8.729 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.981 9.757 -9.860 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -18.430 10.379 -10.159 1.00 0.00 H new ATOM 21 N MET A 4 -21.270 5.302 -5.453 1.00 0.00 N ATOM 22 CA MET A 4 -21.645 4.167 -4.606 1.00 0.00 C ATOM 23 C MET A 4 -20.953 4.226 -3.243 1.00 0.00 C ATOM 24 O MET A 4 -21.569 3.937 -2.217 1.00 0.00 O ATOM 25 CB MET A 4 -21.323 2.839 -5.300 1.00 0.00 C ATOM 26 CG MET A 4 -21.738 1.615 -4.497 1.00 0.00 C ATOM 27 SD MET A 4 -23.515 1.551 -4.197 1.00 0.00 S ATOM 28 CE MET A 4 -24.143 1.496 -5.873 1.00 0.00 C ATOM 0 H MET A 4 -22.005 6.001 -5.557 1.00 0.00 H new ATOM 0 HA MET A 4 -22.721 4.229 -4.442 1.00 0.00 H new ATOM 0 HB2 MET A 4 -21.823 2.814 -6.268 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.251 2.790 -5.493 1.00 0.00 H new ATOM 0 HG2 MET A 4 -21.431 0.715 -5.029 1.00 0.00 H new ATOM 0 HG3 MET A 4 -21.212 1.616 -3.542 1.00 0.00 H new ATOM 0 HE1 MET A 4 -25.167 1.121 -5.866 1.00 0.00 H new ATOM 0 HE2 MET A 4 -24.126 2.498 -6.301 1.00 0.00 H new ATOM 0 HE3 MET A 4 -23.519 0.835 -6.474 1.00 0.00 H new ATOM 38 N ARG A 5 -19.676 4.598 -3.235 1.00 0.00 N ATOM 39 CA ARG A 5 -18.913 4.688 -1.996 1.00 0.00 C ATOM 40 C ARG A 5 -17.580 5.388 -2.232 1.00 0.00 C ATOM 41 O ARG A 5 -16.931 5.179 -3.257 1.00 0.00 O ATOM 42 CB ARG A 5 -18.676 3.295 -1.415 1.00 0.00 C ATOM 43 CG ARG A 5 -17.980 3.313 -0.065 1.00 0.00 C ATOM 44 CD ARG A 5 -17.913 1.924 0.545 1.00 0.00 C ATOM 45 NE ARG A 5 -17.116 1.003 -0.262 1.00 0.00 N ATOM 46 CZ ARG A 5 -15.810 1.141 -0.471 1.00 0.00 C ATOM 47 NH1 ARG A 5 -15.148 2.152 0.078 1.00 0.00 N ATOM 48 NH2 ARG A 5 -15.161 0.264 -1.226 1.00 0.00 N ATOM 0 H ARG A 5 -19.149 4.842 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 5 -19.491 5.275 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -19.634 2.784 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -18.077 2.714 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -16.971 3.710 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -18.512 3.983 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -17.487 1.989 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -18.923 1.528 0.654 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.589 0.207 -0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.641 2.827 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.146 2.254 -0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.664 -0.517 -1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.159 0.371 -1.385 1.00 0.00 H new ATOM 62 N GLN A 6 -17.179 6.225 -1.280 1.00 0.00 N ATOM 63 CA GLN A 6 -15.932 6.962 -1.383 1.00 0.00 C ATOM 64 C GLN A 6 -14.739 6.011 -1.509 1.00 0.00 C ATOM 65 O GLN A 6 -14.629 5.040 -0.760 1.00 0.00 O ATOM 66 CB GLN A 6 -15.763 7.860 -0.159 1.00 0.00 C ATOM 67 CG GLN A 6 -14.491 8.681 -0.187 1.00 0.00 C ATOM 68 CD GLN A 6 -14.361 9.603 1.010 1.00 0.00 C ATOM 69 OE1 GLN A 6 -14.342 9.152 2.156 1.00 0.00 O ATOM 70 NE2 GLN A 6 -14.273 10.902 0.750 1.00 0.00 N ATOM 0 H GLN A 6 -17.705 6.408 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.968 7.577 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.619 8.532 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.768 7.242 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.632 8.011 -0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.467 9.274 -1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.293 11.231 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.185 11.571 1.515 1.00 0.00 H new ATOM 79 N PRO A 7 -13.824 6.284 -2.460 1.00 0.00 N ATOM 80 CA PRO A 7 -12.634 5.452 -2.677 1.00 0.00 C ATOM 81 C PRO A 7 -11.712 5.441 -1.460 1.00 0.00 C ATOM 82 O PRO A 7 -11.609 6.438 -0.745 1.00 0.00 O ATOM 83 CB PRO A 7 -11.935 6.114 -3.869 1.00 0.00 C ATOM 84 CG PRO A 7 -12.466 7.506 -3.906 1.00 0.00 C ATOM 85 CD PRO A 7 -13.874 7.425 -3.392 1.00 0.00 C ATOM 0 HA PRO A 7 -12.897 4.409 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.852 6.108 -3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.152 5.585 -4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.862 8.170 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.443 7.906 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.173 8.344 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.588 7.256 -4.198 1.00 0.00 H new ATOM 93 N PRO A 8 -11.025 4.312 -1.204 1.00 0.00 N ATOM 94 CA PRO A 8 -10.112 4.189 -0.064 1.00 0.00 C ATOM 95 C PRO A 8 -9.018 5.252 -0.084 1.00 0.00 C ATOM 96 O PRO A 8 -8.268 5.367 -1.054 1.00 0.00 O ATOM 97 CB PRO A 8 -9.500 2.789 -0.227 1.00 0.00 C ATOM 98 CG PRO A 8 -9.799 2.383 -1.632 1.00 0.00 C ATOM 99 CD PRO A 8 -11.081 3.074 -1.998 1.00 0.00 C ATOM 0 HA PRO A 8 -10.632 4.327 0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.426 2.807 -0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.933 2.086 0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.992 2.677 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.902 1.301 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.137 3.282 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.952 2.470 -1.744 1.00 0.00 H new ATOM 107 N LEU A 9 -8.931 6.025 0.994 1.00 0.00 N ATOM 108 CA LEU A 9 -7.927 7.076 1.103 1.00 0.00 C ATOM 109 C LEU A 9 -6.784 6.646 2.015 1.00 0.00 C ATOM 110 O LEU A 9 -6.994 6.341 3.188 1.00 0.00 O ATOM 111 CB LEU A 9 -8.561 8.364 1.636 1.00 0.00 C ATOM 112 CG LEU A 9 -7.582 9.512 1.901 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.877 9.930 0.618 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.308 10.694 2.524 1.00 0.00 C ATOM 0 H LEU A 9 -9.544 5.943 1.805 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.524 7.261 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.310 8.704 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.087 8.135 2.563 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.825 9.162 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.187 10.746 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.323 9.083 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.616 10.261 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.599 11.502 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.087 11.041 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.759 10.388 3.468 1.00 0.00 H new ATOM 126 N VAL A 10 -5.572 6.635 1.472 1.00 0.00 N ATOM 127 CA VAL A 10 -4.393 6.254 2.240 1.00 0.00 C ATOM 128 C VAL A 10 -3.695 7.487 2.805 1.00 0.00 C ATOM 129 O VAL A 10 -3.538 8.493 2.113 1.00 0.00 O ATOM 130 CB VAL A 10 -3.399 5.445 1.382 1.00 0.00 C ATOM 131 CG1 VAL A 10 -2.176 5.055 2.197 1.00 0.00 C ATOM 132 CG2 VAL A 10 -4.078 4.211 0.804 1.00 0.00 C ATOM 0 H VAL A 10 -5.380 6.886 0.502 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.732 5.625 3.063 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.067 6.074 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.489 4.485 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.677 5.955 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.484 4.445 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.363 3.651 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.440 3.581 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.918 4.517 0.180 1.00 0.00 H new ATOM 142 N THR A 11 -3.285 7.408 4.069 1.00 0.00 N ATOM 143 CA THR A 11 -2.613 8.524 4.726 1.00 0.00 C ATOM 144 C THR A 11 -2.018 8.101 6.070 1.00 0.00 C ATOM 145 O THR A 11 -2.244 8.744 7.096 1.00 0.00 O ATOM 146 CB THR A 11 -3.573 9.709 4.935 1.00 0.00 C ATOM 147 OG1 THR A 11 -2.912 10.765 5.640 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.805 9.269 5.702 1.00 0.00 C ATOM 0 H THR A 11 -3.407 6.584 4.657 1.00 0.00 H new ATOM 0 HA THR A 11 -1.803 8.840 4.069 1.00 0.00 H new ATOM 0 HB THR A 11 -3.883 10.075 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.646 10.449 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.471 10.121 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.323 8.490 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.508 8.880 6.676 1.00 0.00 H new ATOM 156 N GLY A 12 -1.253 7.014 6.053 1.00 0.00 N ATOM 157 CA GLY A 12 -0.636 6.518 7.269 1.00 0.00 C ATOM 158 C GLY A 12 0.327 5.378 7.005 1.00 0.00 C ATOM 159 O GLY A 12 0.087 4.544 6.133 1.00 0.00 O ATOM 0 H GLY A 12 -1.049 6.467 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.105 7.332 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.413 6.182 7.956 1.00 0.00 H new ATOM 163 N ILE A 13 1.421 5.343 7.759 1.00 0.00 N ATOM 164 CA ILE A 13 2.427 4.299 7.599 1.00 0.00 C ATOM 165 C ILE A 13 3.296 4.182 8.848 1.00 0.00 C ATOM 166 O ILE A 13 3.802 5.182 9.358 1.00 0.00 O ATOM 167 CB ILE A 13 3.325 4.572 6.372 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.340 3.441 6.189 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.035 5.914 6.515 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.154 3.553 4.916 1.00 0.00 C ATOM 0 H ILE A 13 1.634 6.025 8.487 1.00 0.00 H new ATOM 0 HA ILE A 13 1.896 3.360 7.445 1.00 0.00 H new ATOM 0 HB ILE A 13 2.693 4.613 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.017 3.431 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.812 2.487 6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.663 6.088 5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.295 6.710 6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.655 5.904 7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.851 2.717 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.487 3.532 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.711 4.490 4.921 1.00 0.00 H new ATOM 182 N SER A 14 3.465 2.956 9.341 1.00 0.00 N ATOM 183 CA SER A 14 4.276 2.727 10.531 1.00 0.00 C ATOM 184 C SER A 14 5.746 3.048 10.251 1.00 0.00 C ATOM 185 O SER A 14 6.325 3.912 10.910 1.00 0.00 O ATOM 186 CB SER A 14 4.118 1.287 11.031 1.00 0.00 C ATOM 187 OG SER A 14 4.898 1.059 12.192 1.00 0.00 O ATOM 0 H SER A 14 3.054 2.114 8.938 1.00 0.00 H new ATOM 0 HA SER A 14 3.924 3.396 11.317 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.069 1.088 11.250 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.417 0.592 10.246 1.00 0.00 H new ATOM 0 HG SER A 14 4.777 0.133 12.491 1.00 0.00 H new ATOM 193 N PRO A 15 6.379 2.375 9.262 1.00 0.00 N ATOM 194 CA PRO A 15 7.773 2.628 8.921 1.00 0.00 C ATOM 195 C PRO A 15 7.917 3.725 7.871 1.00 0.00 C ATOM 196 O PRO A 15 7.476 3.566 6.734 1.00 0.00 O ATOM 197 CB PRO A 15 8.216 1.284 8.356 1.00 0.00 C ATOM 198 CG PRO A 15 7.000 0.747 7.675 1.00 0.00 C ATOM 199 CD PRO A 15 5.802 1.324 8.396 1.00 0.00 C ATOM 0 HA PRO A 15 8.361 2.974 9.771 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.044 1.401 7.657 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.557 0.614 9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.990 1.030 6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.986 -0.342 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.076 1.737 7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.284 0.564 8.981 1.00 0.00 H new ATOM 207 N ASN A 16 8.539 4.836 8.251 1.00 0.00 N ATOM 208 CA ASN A 16 8.733 5.944 7.324 1.00 0.00 C ATOM 209 C ASN A 16 10.144 5.917 6.741 1.00 0.00 C ATOM 210 O ASN A 16 10.691 6.952 6.360 1.00 0.00 O ATOM 211 CB ASN A 16 8.476 7.279 8.026 1.00 0.00 C ATOM 212 CG ASN A 16 7.146 7.304 8.754 1.00 0.00 C ATOM 213 OD1 ASN A 16 6.904 6.504 9.657 1.00 0.00 O ATOM 214 ND2 ASN A 16 6.273 8.225 8.363 1.00 0.00 N ATOM 0 H ASN A 16 8.914 4.992 9.186 1.00 0.00 H new ATOM 0 HA ASN A 16 8.019 5.836 6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.279 7.473 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.500 8.083 7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.361 8.288 8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.514 8.869 7.610 1.00 0.00 H new ATOM 221 N GLU A 17 10.717 4.716 6.673 1.00 0.00 N ATOM 222 CA GLU A 17 12.062 4.521 6.136 1.00 0.00 C ATOM 223 C GLU A 17 12.461 3.050 6.218 1.00 0.00 C ATOM 224 O GLU A 17 12.312 2.415 7.262 1.00 0.00 O ATOM 225 CB GLU A 17 13.078 5.381 6.895 1.00 0.00 C ATOM 226 CG GLU A 17 13.117 5.106 8.390 1.00 0.00 C ATOM 227 CD GLU A 17 14.135 5.966 9.115 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.004 7.207 9.068 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.062 5.398 9.729 1.00 0.00 O ATOM 0 H GLU A 17 10.265 3.857 6.986 1.00 0.00 H new ATOM 0 HA GLU A 17 12.057 4.828 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.070 5.209 6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.842 6.433 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.129 5.284 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.351 4.054 8.556 1.00 0.00 H new ATOM 236 N GLY A 18 12.961 2.511 5.109 1.00 0.00 N ATOM 237 CA GLY A 18 13.363 1.116 5.087 1.00 0.00 C ATOM 238 C GLY A 18 13.654 0.611 3.688 1.00 0.00 C ATOM 239 O GLY A 18 13.076 1.090 2.713 1.00 0.00 O ATOM 0 H GLY A 18 13.094 3.012 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.251 0.989 5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.575 0.508 5.531 1.00 0.00 H new ATOM 243 N ILE A 19 14.556 -0.362 3.592 1.00 0.00 N ATOM 244 CA ILE A 19 14.929 -0.946 2.308 1.00 0.00 C ATOM 245 C ILE A 19 13.702 -1.507 1.581 1.00 0.00 C ATOM 246 O ILE A 19 12.653 -1.707 2.191 1.00 0.00 O ATOM 247 CB ILE A 19 15.989 -2.054 2.485 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.458 -3.165 3.395 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.273 -1.459 3.050 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.415 -4.329 3.558 1.00 0.00 C ATOM 0 H ILE A 19 15.044 -0.764 4.393 1.00 0.00 H new ATOM 0 HA ILE A 19 15.360 -0.149 1.702 1.00 0.00 H new ATOM 0 HB ILE A 19 16.208 -2.492 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.240 -2.745 4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.516 -3.535 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.016 -2.247 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.656 -0.702 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.067 -1.001 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.971 -5.076 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.614 -4.776 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.350 -3.974 3.992 1.00 0.00 H new ATOM 262 N PRO A 20 13.810 -1.744 0.258 1.00 0.00 N ATOM 263 CA PRO A 20 12.698 -2.260 -0.557 1.00 0.00 C ATOM 264 C PRO A 20 12.000 -3.482 0.044 1.00 0.00 C ATOM 265 O PRO A 20 10.774 -3.552 0.074 1.00 0.00 O ATOM 266 CB PRO A 20 13.382 -2.641 -1.868 1.00 0.00 C ATOM 267 CG PRO A 20 14.540 -1.713 -1.967 1.00 0.00 C ATOM 268 CD PRO A 20 15.019 -1.503 -0.558 1.00 0.00 C ATOM 0 HA PRO A 20 11.904 -1.519 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.707 -3.681 -1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.707 -2.525 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.329 -2.137 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 20 14.246 -0.768 -2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.822 -2.194 -0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.407 -0.495 -0.412 1.00 0.00 H new ATOM 276 N TRP A 21 12.779 -4.454 0.495 1.00 0.00 N ATOM 277 CA TRP A 21 12.213 -5.674 1.065 1.00 0.00 C ATOM 278 C TRP A 21 11.545 -5.431 2.416 1.00 0.00 C ATOM 279 O TRP A 21 10.920 -6.334 2.972 1.00 0.00 O ATOM 280 CB TRP A 21 13.284 -6.756 1.194 1.00 0.00 C ATOM 281 CG TRP A 21 13.803 -7.227 -0.130 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.881 -6.739 -0.813 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.245 -8.263 -0.946 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.038 -7.424 -1.995 1.00 0.00 N ATOM 285 CE2 TRP A 21 14.044 -8.363 -2.100 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.151 -9.121 -0.807 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.782 -9.286 -3.110 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.891 -10.036 -1.811 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.703 -10.112 -2.949 1.00 0.00 C ATOM 0 H TRP A 21 13.798 -4.425 0.479 1.00 0.00 H new ATOM 0 HA TRP A 21 11.439 -6.014 0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.113 -6.370 1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.871 -7.605 1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.516 -5.934 -0.474 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.774 -7.260 -2.682 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.520 -9.071 0.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.408 -9.347 -3.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.047 -10.703 -1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.473 -10.837 -3.715 1.00 0.00 H new ATOM 300 N THR A 22 11.667 -4.217 2.942 1.00 0.00 N ATOM 301 CA THR A 22 11.056 -3.891 4.226 1.00 0.00 C ATOM 302 C THR A 22 9.543 -3.767 4.090 1.00 0.00 C ATOM 303 O THR A 22 9.045 -3.033 3.236 1.00 0.00 O ATOM 304 CB THR A 22 11.616 -2.580 4.813 1.00 0.00 C ATOM 305 OG1 THR A 22 13.021 -2.713 5.054 1.00 0.00 O ATOM 306 CG2 THR A 22 10.909 -2.217 6.113 1.00 0.00 C ATOM 0 H THR A 22 12.178 -3.450 2.505 1.00 0.00 H new ATOM 0 HA THR A 22 11.299 -4.708 4.905 1.00 0.00 H new ATOM 0 HB THR A 22 11.442 -1.784 4.089 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.370 -1.876 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.323 -1.288 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.843 -2.087 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.054 -3.015 6.841 1.00 0.00 H new ATOM 314 N LYS A 23 8.816 -4.488 4.935 1.00 0.00 N ATOM 315 CA LYS A 23 7.360 -4.455 4.908 1.00 0.00 C ATOM 316 C LYS A 23 6.836 -3.150 5.502 1.00 0.00 C ATOM 317 O LYS A 23 7.170 -2.793 6.632 1.00 0.00 O ATOM 318 CB LYS A 23 6.788 -5.653 5.671 1.00 0.00 C ATOM 319 CG LYS A 23 7.201 -5.700 7.135 1.00 0.00 C ATOM 320 CD LYS A 23 6.596 -6.895 7.862 1.00 0.00 C ATOM 321 CE LYS A 23 7.227 -8.212 7.427 1.00 0.00 C ATOM 322 NZ LYS A 23 6.935 -8.538 6.004 1.00 0.00 N ATOM 0 H LYS A 23 9.211 -5.102 5.647 1.00 0.00 H new ATOM 0 HA LYS A 23 7.036 -4.512 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.700 -5.625 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.111 -6.572 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.288 -5.747 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.890 -4.780 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.727 -6.769 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.523 -6.928 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.306 -8.160 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.859 -9.016 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.844 -9.568 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.046 -8.080 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.711 -8.194 5.403 1.00 0.00 H new ATOM 336 N VAL A 24 6.014 -2.444 4.734 1.00 0.00 N ATOM 337 CA VAL A 24 5.443 -1.181 5.188 1.00 0.00 C ATOM 338 C VAL A 24 3.955 -1.328 5.488 1.00 0.00 C ATOM 339 O VAL A 24 3.186 -1.813 4.656 1.00 0.00 O ATOM 340 CB VAL A 24 5.652 -0.063 4.148 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.129 0.272 4.014 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.074 -0.468 2.801 1.00 0.00 C ATOM 0 H VAL A 24 5.728 -2.724 3.796 1.00 0.00 H new ATOM 0 HA VAL A 24 5.964 -0.906 6.105 1.00 0.00 H new ATOM 0 HB VAL A 24 5.126 0.827 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.257 1.063 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.515 0.608 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.676 -0.615 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.232 0.335 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.570 -1.373 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.006 -0.657 2.905 1.00 0.00 H new ATOM 352 N THR A 25 3.552 -0.912 6.685 1.00 0.00 N ATOM 353 CA THR A 25 2.157 -1.004 7.097 1.00 0.00 C ATOM 354 C THR A 25 1.324 0.120 6.490 1.00 0.00 C ATOM 355 O THR A 25 1.574 1.299 6.743 1.00 0.00 O ATOM 356 CB THR A 25 2.022 -0.960 8.632 1.00 0.00 C ATOM 357 OG1 THR A 25 2.780 -2.023 9.220 1.00 0.00 O ATOM 358 CG2 THR A 25 0.565 -1.080 9.055 1.00 0.00 C ATOM 0 H THR A 25 4.173 -0.508 7.386 1.00 0.00 H new ATOM 0 HA THR A 25 1.784 -1.961 6.733 1.00 0.00 H new ATOM 0 HB THR A 25 2.406 -0.001 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.691 -1.988 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.498 -1.046 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.006 -0.255 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.158 -2.025 8.696 1.00 0.00 H new ATOM 366 N ILE A 26 0.321 -0.256 5.701 1.00 0.00 N ATOM 367 CA ILE A 26 -0.564 0.715 5.069 1.00 0.00 C ATOM 368 C ILE A 26 -1.693 1.101 6.017 1.00 0.00 C ATOM 369 O ILE A 26 -2.226 0.255 6.732 1.00 0.00 O ATOM 370 CB ILE A 26 -1.172 0.164 3.763 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.062 -0.239 2.790 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.092 1.200 3.129 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.577 -0.814 1.487 1.00 0.00 C ATOM 0 H ILE A 26 0.102 -1.228 5.485 1.00 0.00 H new ATOM 0 HA ILE A 26 0.038 1.592 4.831 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.762 -0.722 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.555 0.633 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.583 -0.974 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.514 0.797 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.898 1.443 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.523 2.102 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.265 -1.077 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.169 -1.706 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.198 -0.074 0.983 1.00 0.00 H new ATOM 385 N ARG A 27 -2.054 2.379 6.020 1.00 0.00 N ATOM 386 CA ARG A 27 -3.123 2.865 6.884 1.00 0.00 C ATOM 387 C ARG A 27 -3.891 3.997 6.213 1.00 0.00 C ATOM 388 O ARG A 27 -3.298 4.888 5.606 1.00 0.00 O ATOM 389 CB ARG A 27 -2.558 3.339 8.223 1.00 0.00 C ATOM 390 CG ARG A 27 -1.875 2.239 9.021 1.00 0.00 C ATOM 391 CD ARG A 27 -1.430 2.742 10.383 1.00 0.00 C ATOM 392 NE ARG A 27 -0.710 1.721 11.140 1.00 0.00 N ATOM 393 CZ ARG A 27 -0.214 1.920 12.359 1.00 0.00 C ATOM 394 NH1 ARG A 27 -0.349 3.100 12.949 1.00 0.00 N ATOM 395 NH2 ARG A 27 0.419 0.939 12.988 1.00 0.00 N ATOM 0 H ARG A 27 -1.623 3.096 5.436 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.811 2.039 7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.843 4.142 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.367 3.760 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.559 1.399 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.012 1.868 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.790 3.615 10.255 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.302 3.066 10.951 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.580 0.805 10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.834 3.858 12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.032 3.250 13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.526 0.030 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.798 1.093 13.922 1.00 0.00 H new ATOM 409 N GLY A 28 -5.215 3.951 6.323 1.00 0.00 N ATOM 410 CA GLY A 28 -6.047 4.973 5.718 1.00 0.00 C ATOM 411 C GLY A 28 -7.502 4.846 6.120 1.00 0.00 C ATOM 412 O GLY A 28 -7.819 4.766 7.307 1.00 0.00 O ATOM 0 H GLY A 28 -5.726 3.223 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.677 5.957 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.966 4.909 4.633 1.00 0.00 H new ATOM 416 N GLU A 29 -8.391 4.828 5.131 1.00 0.00 N ATOM 417 CA GLU A 29 -9.819 4.710 5.393 1.00 0.00 C ATOM 418 C GLU A 29 -10.511 3.870 4.322 1.00 0.00 C ATOM 419 O GLU A 29 -10.354 4.116 3.126 1.00 0.00 O ATOM 420 CB GLU A 29 -10.462 6.098 5.452 1.00 0.00 C ATOM 421 CG GLU A 29 -9.897 6.991 6.544 1.00 0.00 C ATOM 422 CD GLU A 29 -10.546 8.360 6.570 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.779 8.430 6.757 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.821 9.364 6.403 1.00 0.00 O ATOM 0 H GLU A 29 -8.147 4.894 4.143 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.941 4.211 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.330 6.590 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.535 5.985 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.036 6.508 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.823 7.105 6.396 1.00 0.00 H new ATOM 431 N ASN A 30 -11.287 2.887 4.769 1.00 0.00 N ATOM 432 CA ASN A 30 -12.028 2.007 3.867 1.00 0.00 C ATOM 433 C ASN A 30 -11.105 1.266 2.899 1.00 0.00 C ATOM 434 O ASN A 30 -11.373 1.212 1.698 1.00 0.00 O ATOM 435 CB ASN A 30 -13.069 2.810 3.085 1.00 0.00 C ATOM 436 CG ASN A 30 -14.082 3.483 3.990 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.800 2.819 4.738 1.00 0.00 O ATOM 438 ND2 ASN A 30 -14.144 4.807 3.926 1.00 0.00 N ATOM 0 H ASN A 30 -11.420 2.678 5.758 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.529 1.259 4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.564 3.567 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.589 2.148 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.806 5.315 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.529 5.316 3.291 1.00 0.00 H new ATOM 445 N LEU A 31 -10.030 0.682 3.422 1.00 0.00 N ATOM 446 CA LEU A 31 -9.089 -0.068 2.591 1.00 0.00 C ATOM 447 C LEU A 31 -9.602 -1.480 2.321 1.00 0.00 C ATOM 448 O LEU A 31 -8.901 -2.463 2.560 1.00 0.00 O ATOM 449 CB LEU A 31 -7.705 -0.136 3.244 1.00 0.00 C ATOM 450 CG LEU A 31 -6.865 1.140 3.136 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.533 2.293 3.862 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.468 0.901 3.688 1.00 0.00 C ATOM 0 H LEU A 31 -9.788 0.713 4.413 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.001 0.462 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.831 -0.380 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.148 -0.957 2.792 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.784 1.406 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.916 3.187 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.513 2.481 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.651 2.040 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.882 1.816 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.536 0.608 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.983 0.107 3.120 1.00 0.00 H new ATOM 464 N GLY A 32 -10.829 -1.572 1.818 1.00 0.00 N ATOM 465 CA GLY A 32 -11.414 -2.867 1.522 1.00 0.00 C ATOM 466 C GLY A 32 -12.049 -3.516 2.736 1.00 0.00 C ATOM 467 O GLY A 32 -11.469 -3.521 3.822 1.00 0.00 O ATOM 0 H GLY A 32 -11.428 -0.773 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.167 -2.751 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.643 -3.527 1.125 1.00 0.00 H new ATOM 471 N THR A 33 -13.247 -4.064 2.547 1.00 0.00 N ATOM 472 CA THR A 33 -13.972 -4.722 3.629 1.00 0.00 C ATOM 473 C THR A 33 -13.214 -5.939 4.146 1.00 0.00 C ATOM 474 O THR A 33 -13.160 -6.179 5.352 1.00 0.00 O ATOM 475 CB THR A 33 -15.378 -5.161 3.179 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.277 -6.083 2.087 1.00 0.00 O ATOM 477 CG2 THR A 33 -16.213 -3.960 2.759 1.00 0.00 C ATOM 0 H THR A 33 -13.736 -4.065 1.652 1.00 0.00 H new ATOM 0 HA THR A 33 -14.066 -3.991 4.432 1.00 0.00 H new ATOM 0 HB THR A 33 -15.869 -5.648 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.175 -6.359 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.201 -4.296 2.445 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.313 -3.274 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.724 -3.449 1.930 1.00 0.00 H new ATOM 485 N GLY A 34 -12.630 -6.705 3.230 1.00 0.00 N ATOM 486 CA GLY A 34 -11.887 -7.885 3.628 1.00 0.00 C ATOM 487 C GLY A 34 -10.934 -8.375 2.552 1.00 0.00 C ATOM 488 O GLY A 34 -10.561 -7.614 1.659 1.00 0.00 O ATOM 0 H GLY A 34 -12.658 -6.531 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.322 -7.664 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.587 -8.682 3.876 1.00 0.00 H new ATOM 492 N PRO A 35 -10.515 -9.654 2.614 1.00 0.00 N ATOM 493 CA PRO A 35 -9.591 -10.234 1.634 1.00 0.00 C ATOM 494 C PRO A 35 -10.199 -10.323 0.240 1.00 0.00 C ATOM 495 O PRO A 35 -9.577 -9.930 -0.748 1.00 0.00 O ATOM 496 CB PRO A 35 -9.311 -11.644 2.176 1.00 0.00 C ATOM 497 CG PRO A 35 -9.789 -11.633 3.590 1.00 0.00 C ATOM 498 CD PRO A 35 -10.900 -10.627 3.646 1.00 0.00 C ATOM 0 HA PRO A 35 -8.697 -9.621 1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.835 -12.400 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.248 -11.880 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.141 -12.620 3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.983 -11.362 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.867 -11.081 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.976 -10.164 4.630 1.00 0.00 H new ATOM 506 N THR A 36 -11.418 -10.849 0.169 1.00 0.00 N ATOM 507 CA THR A 36 -12.117 -11.000 -1.102 1.00 0.00 C ATOM 508 C THR A 36 -12.330 -9.657 -1.791 1.00 0.00 C ATOM 509 O THR A 36 -12.205 -9.551 -3.011 1.00 0.00 O ATOM 510 CB THR A 36 -13.478 -11.696 -0.912 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.183 -11.747 -2.160 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.322 -10.969 0.125 1.00 0.00 C ATOM 0 H THR A 36 -11.943 -11.178 0.979 1.00 0.00 H new ATOM 0 HA THR A 36 -11.483 -11.621 -1.735 1.00 0.00 H new ATOM 0 HB THR A 36 -13.294 -12.710 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.046 -12.192 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.278 -11.481 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.797 -10.961 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.496 -9.944 -0.202 1.00 0.00 H new ATOM 520 N ASP A 37 -12.654 -8.635 -1.006 1.00 0.00 N ATOM 521 CA ASP A 37 -12.886 -7.304 -1.550 1.00 0.00 C ATOM 522 C ASP A 37 -11.616 -6.758 -2.193 1.00 0.00 C ATOM 523 O ASP A 37 -11.645 -6.246 -3.311 1.00 0.00 O ATOM 524 CB ASP A 37 -13.368 -6.354 -0.453 1.00 0.00 C ATOM 525 CG ASP A 37 -13.792 -5.007 -1.003 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.734 -4.970 -1.822 1.00 0.00 O ATOM 527 OD2 ASP A 37 -13.181 -3.989 -0.618 1.00 0.00 O ATOM 0 H ASP A 37 -12.761 -8.703 0.006 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.659 -7.379 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.206 -6.808 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.571 -6.211 0.277 1.00 0.00 H new ATOM 532 N LEU A 38 -10.501 -6.879 -1.481 1.00 0.00 N ATOM 533 CA LEU A 38 -9.219 -6.403 -1.986 1.00 0.00 C ATOM 534 C LEU A 38 -8.792 -7.245 -3.189 1.00 0.00 C ATOM 535 O LEU A 38 -8.784 -8.474 -3.122 1.00 0.00 O ATOM 536 CB LEU A 38 -8.158 -6.483 -0.878 1.00 0.00 C ATOM 537 CG LEU A 38 -6.958 -5.533 -1.020 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.989 -5.726 0.137 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.238 -5.739 -2.344 1.00 0.00 C ATOM 0 H LEU A 38 -10.459 -7.302 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.320 -5.364 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.644 -6.282 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.783 -7.506 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.340 -4.512 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.145 -5.046 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.499 -5.516 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.628 -6.755 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.395 -5.051 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.875 -6.765 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.927 -5.549 -3.167 1.00 0.00 H new ATOM 551 N ILE A 39 -8.438 -6.580 -4.285 1.00 0.00 N ATOM 552 CA ILE A 39 -8.013 -7.277 -5.495 1.00 0.00 C ATOM 553 C ILE A 39 -6.798 -6.602 -6.123 1.00 0.00 C ATOM 554 O ILE A 39 -5.845 -7.270 -6.523 1.00 0.00 O ATOM 555 CB ILE A 39 -9.147 -7.350 -6.538 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.671 -5.948 -6.863 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.271 -8.243 -6.033 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.748 -5.932 -7.928 1.00 0.00 C ATOM 0 H ILE A 39 -8.437 -5.563 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.746 -8.290 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.749 -7.783 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.066 -5.497 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.839 -5.326 -7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.065 -8.286 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.886 -9.247 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.669 -7.837 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.070 -4.906 -8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.352 -6.352 -8.852 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.598 -6.527 -7.594 1.00 0.00 H new ATOM 570 N GLY A 40 -6.836 -5.277 -6.206 1.00 0.00 N ATOM 571 CA GLY A 40 -5.729 -4.540 -6.782 1.00 0.00 C ATOM 572 C GLY A 40 -4.805 -3.971 -5.725 1.00 0.00 C ATOM 573 O GLY A 40 -5.264 -3.429 -4.720 1.00 0.00 O ATOM 0 H GLY A 40 -7.614 -4.701 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.162 -5.197 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.117 -3.728 -7.397 1.00 0.00 H new ATOM 577 N LEU A 41 -3.502 -4.092 -5.951 1.00 0.00 N ATOM 578 CA LEU A 41 -2.517 -3.584 -5.008 1.00 0.00 C ATOM 579 C LEU A 41 -1.253 -3.154 -5.747 1.00 0.00 C ATOM 580 O LEU A 41 -0.738 -3.886 -6.592 1.00 0.00 O ATOM 581 CB LEU A 41 -2.194 -4.660 -3.960 1.00 0.00 C ATOM 582 CG LEU A 41 -1.494 -4.172 -2.683 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.086 -3.680 -2.978 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.312 -3.079 -2.009 1.00 0.00 C ATOM 0 H LEU A 41 -3.105 -4.537 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.927 -2.713 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.124 -5.151 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.565 -5.417 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.416 -5.019 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.382 -3.342 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.501 -4.493 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.131 -2.853 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.800 -2.746 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.428 -2.237 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.295 -3.470 -1.746 1.00 0.00 H new ATOM 596 N THR A 42 -0.765 -1.961 -5.422 1.00 0.00 N ATOM 597 CA THR A 42 0.433 -1.420 -6.054 1.00 0.00 C ATOM 598 C THR A 42 1.173 -0.469 -5.124 1.00 0.00 C ATOM 599 O THR A 42 0.563 0.220 -4.306 1.00 0.00 O ATOM 600 CB THR A 42 0.103 -0.662 -7.355 1.00 0.00 C ATOM 601 OG1 THR A 42 -1.006 0.220 -7.142 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.207 -1.622 -8.493 1.00 0.00 C ATOM 0 H THR A 42 -1.183 -1.348 -4.722 1.00 0.00 H new ATOM 0 HA THR A 42 1.065 -2.278 -6.284 1.00 0.00 H new ATOM 0 HB THR A 42 0.980 -0.079 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.208 0.699 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.435 -1.055 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.657 -2.261 -8.675 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.065 -2.239 -8.225 1.00 0.00 H new ATOM 610 N ILE A 43 2.491 -0.426 -5.271 1.00 0.00 N ATOM 611 CA ILE A 43 3.329 0.449 -4.466 1.00 0.00 C ATOM 612 C ILE A 43 4.313 1.181 -5.365 1.00 0.00 C ATOM 613 O ILE A 43 5.172 0.556 -5.983 1.00 0.00 O ATOM 614 CB ILE A 43 4.107 -0.341 -3.395 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.133 -1.034 -2.439 1.00 0.00 C ATOM 616 CG2 ILE A 43 5.050 0.581 -2.634 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.812 -1.895 -1.395 1.00 0.00 C ATOM 0 H ILE A 43 3.005 -0.992 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 43 2.680 1.162 -3.959 1.00 0.00 H new ATOM 0 HB ILE A 43 4.707 -1.106 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.531 -0.277 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.448 -1.653 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.591 0.007 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.760 1.029 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.475 1.367 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.058 -2.353 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.392 -2.675 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.476 -1.277 -0.790 1.00 0.00 H new ATOM 629 N CYS A 44 4.162 2.502 -5.449 1.00 0.00 N ATOM 630 CA CYS A 44 5.020 3.331 -6.294 1.00 0.00 C ATOM 631 C CYS A 44 4.670 3.135 -7.771 1.00 0.00 C ATOM 632 O CYS A 44 4.673 4.089 -8.549 1.00 0.00 O ATOM 633 CB CYS A 44 6.500 3.011 -6.057 1.00 0.00 C ATOM 634 SG CYS A 44 7.038 3.224 -4.345 1.00 0.00 S ATOM 0 H CYS A 44 3.449 3.023 -4.939 1.00 0.00 H new ATOM 0 HA CYS A 44 4.847 4.373 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.691 1.982 -6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.106 3.650 -6.699 1.00 0.00 H new ATOM 0 HG CYS A 44 8.232 2.730 -4.201 1.00 0.00 H new ATOM 640 N GLY A 45 4.363 1.894 -8.148 1.00 0.00 N ATOM 641 CA GLY A 45 4.010 1.595 -9.521 1.00 0.00 C ATOM 642 C GLY A 45 3.899 0.105 -9.784 1.00 0.00 C ATOM 643 O GLY A 45 2.985 -0.340 -10.477 1.00 0.00 O ATOM 0 H GLY A 45 4.354 1.090 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.061 2.074 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.760 2.023 -10.186 1.00 0.00 H new ATOM 647 N HIS A 46 4.834 -0.669 -9.236 1.00 0.00 N ATOM 648 CA HIS A 46 4.839 -2.104 -9.418 1.00 0.00 C ATOM 649 C HIS A 46 3.822 -2.778 -8.503 1.00 0.00 C ATOM 650 O HIS A 46 3.716 -2.444 -7.323 1.00 0.00 O ATOM 651 CB HIS A 46 6.242 -2.652 -9.152 1.00 0.00 C ATOM 652 CG HIS A 46 6.725 -2.468 -7.748 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.916 -1.233 -7.169 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.068 -3.380 -6.807 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.357 -1.392 -5.932 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.456 -2.686 -5.690 1.00 0.00 N ATOM 0 H HIS A 46 5.598 -0.316 -8.660 1.00 0.00 H new ATOM 0 HA HIS A 46 4.556 -2.324 -10.448 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.254 -3.716 -9.390 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.943 -2.166 -9.830 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.041 -4.454 -6.916 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.595 -0.599 -5.239 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.770 -3.102 -4.814 1.00 0.00 H new ATOM 665 N ASN A 47 3.074 -3.726 -9.056 1.00 0.00 N ATOM 666 CA ASN A 47 2.064 -4.447 -8.292 1.00 0.00 C ATOM 667 C ASN A 47 2.697 -5.208 -7.131 1.00 0.00 C ATOM 668 O ASN A 47 3.788 -5.765 -7.262 1.00 0.00 O ATOM 669 CB ASN A 47 1.303 -5.416 -9.197 1.00 0.00 C ATOM 670 CG ASN A 47 0.602 -4.708 -10.340 1.00 0.00 C ATOM 671 OD1 ASN A 47 1.237 -4.036 -11.153 1.00 0.00 O ATOM 672 ND2 ASN A 47 -0.715 -4.856 -10.409 1.00 0.00 N ATOM 0 H ASN A 47 3.149 -4.013 -10.032 1.00 0.00 H new ATOM 0 HA ASN A 47 1.365 -3.716 -7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.997 -6.153 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.568 -5.961 -8.605 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.241 -4.404 -11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.202 -5.422 -9.714 1.00 0.00 H new ATOM 679 N CYS A 48 2.006 -5.226 -5.996 1.00 0.00 N ATOM 680 CA CYS A 48 2.496 -5.919 -4.809 1.00 0.00 C ATOM 681 C CYS A 48 1.353 -6.636 -4.097 1.00 0.00 C ATOM 682 O CYS A 48 1.293 -6.669 -2.869 1.00 0.00 O ATOM 683 CB CYS A 48 3.164 -4.928 -3.853 1.00 0.00 C ATOM 684 SG CYS A 48 4.581 -4.057 -4.560 1.00 0.00 S ATOM 0 H CYS A 48 1.103 -4.768 -5.873 1.00 0.00 H new ATOM 0 HA CYS A 48 3.232 -6.659 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.424 -4.195 -3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.489 -5.464 -2.961 1.00 0.00 H new ATOM 0 HG CYS A 48 4.218 -3.453 -5.653 1.00 0.00 H new ATOM 690 N LEU A 49 0.448 -7.206 -4.886 1.00 0.00 N ATOM 691 CA LEU A 49 -0.701 -7.924 -4.346 1.00 0.00 C ATOM 692 C LEU A 49 -0.282 -9.251 -3.717 1.00 0.00 C ATOM 693 O LEU A 49 -0.756 -9.613 -2.639 1.00 0.00 O ATOM 694 CB LEU A 49 -1.729 -8.173 -5.452 1.00 0.00 C ATOM 695 CG LEU A 49 -2.959 -8.978 -5.028 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.813 -8.175 -4.059 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.770 -9.392 -6.248 1.00 0.00 C ATOM 0 H LEU A 49 0.489 -7.184 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.148 -7.307 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.061 -7.210 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.237 -8.696 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.624 -9.881 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.684 -8.763 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.227 -7.932 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.142 -7.254 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.641 -9.964 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.097 -8.503 -6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.153 -10.007 -6.904 1.00 0.00 H new ATOM 709 N LEU A 50 0.596 -9.978 -4.405 1.00 0.00 N ATOM 710 CA LEU A 50 1.067 -11.276 -3.923 1.00 0.00 C ATOM 711 C LEU A 50 1.620 -11.178 -2.502 1.00 0.00 C ATOM 712 O LEU A 50 1.350 -12.038 -1.663 1.00 0.00 O ATOM 713 CB LEU A 50 2.131 -11.858 -4.865 1.00 0.00 C ATOM 714 CG LEU A 50 3.476 -11.120 -4.908 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.513 -11.955 -5.642 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.333 -9.760 -5.579 1.00 0.00 C ATOM 0 H LEU A 50 0.996 -9.691 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 50 0.208 -11.947 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.317 -12.892 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.720 -11.880 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 50 3.806 -10.963 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.462 -11.419 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.646 -12.906 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.176 -12.139 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.301 -9.259 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.976 -9.894 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.620 -9.153 -5.022 1.00 0.00 H new ATOM 728 N THR A 51 2.395 -10.131 -2.235 1.00 0.00 N ATOM 729 CA THR A 51 2.981 -9.932 -0.914 1.00 0.00 C ATOM 730 C THR A 51 1.976 -9.319 0.055 1.00 0.00 C ATOM 731 O THR A 51 1.949 -9.666 1.236 1.00 0.00 O ATOM 732 CB THR A 51 4.231 -9.033 -0.976 1.00 0.00 C ATOM 733 OG1 THR A 51 3.899 -7.769 -1.562 1.00 0.00 O ATOM 734 CG2 THR A 51 5.338 -9.697 -1.782 1.00 0.00 C ATOM 0 H THR A 51 2.631 -9.408 -2.915 1.00 0.00 H new ATOM 0 HA THR A 51 3.271 -10.919 -0.553 1.00 0.00 H new ATOM 0 HB THR A 51 4.589 -8.878 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.699 -7.204 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.209 -9.043 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.610 -10.644 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.988 -9.881 -2.798 1.00 0.00 H new ATOM 742 N ALA A 52 1.154 -8.401 -0.448 1.00 0.00 N ATOM 743 CA ALA A 52 0.153 -7.735 0.378 1.00 0.00 C ATOM 744 C ALA A 52 -0.837 -8.729 0.973 1.00 0.00 C ATOM 745 O ALA A 52 -1.421 -9.547 0.261 1.00 0.00 O ATOM 746 CB ALA A 52 -0.589 -6.683 -0.431 1.00 0.00 C ATOM 0 H ALA A 52 1.162 -8.102 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 52 0.678 -7.250 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.332 -6.196 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.119 -5.940 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.087 -7.158 -1.276 1.00 0.00 H new ATOM 752 N GLU A 53 -1.030 -8.640 2.285 1.00 0.00 N ATOM 753 CA GLU A 53 -1.958 -9.513 2.990 1.00 0.00 C ATOM 754 C GLU A 53 -2.945 -8.684 3.806 1.00 0.00 C ATOM 755 O GLU A 53 -2.551 -7.764 4.523 1.00 0.00 O ATOM 756 CB GLU A 53 -1.194 -10.474 3.905 1.00 0.00 C ATOM 757 CG GLU A 53 -2.093 -11.432 4.669 1.00 0.00 C ATOM 758 CD GLU A 53 -1.313 -12.365 5.577 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.068 -12.262 5.610 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.948 -13.200 6.256 1.00 0.00 O ATOM 0 H GLU A 53 -0.552 -7.967 2.884 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.512 -10.097 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.490 -11.050 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.607 -9.894 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.803 -10.860 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.674 -12.022 3.961 1.00 0.00 H new ATOM 767 N TRP A 54 -4.229 -9.006 3.686 1.00 0.00 N ATOM 768 CA TRP A 54 -5.266 -8.280 4.409 1.00 0.00 C ATOM 769 C TRP A 54 -5.107 -8.455 5.916 1.00 0.00 C ATOM 770 O TRP A 54 -4.623 -9.485 6.385 1.00 0.00 O ATOM 771 CB TRP A 54 -6.656 -8.752 3.984 1.00 0.00 C ATOM 772 CG TRP A 54 -7.749 -7.834 4.440 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.188 -6.708 3.807 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.521 -7.948 5.640 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.201 -6.124 4.529 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.421 -6.864 5.661 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.544 -8.862 6.695 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.331 -6.673 6.696 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.447 -8.670 7.724 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.330 -7.583 7.717 1.00 0.00 C ATOM 0 H TRP A 54 -4.575 -9.763 3.096 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.158 -7.223 4.164 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.689 -8.836 2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.834 -9.749 4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.796 -6.330 2.874 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.706 -5.278 4.265 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.868 -9.704 6.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.014 -5.836 6.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.472 -9.369 8.546 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.025 -7.461 8.535 1.00 0.00 H new ATOM 791 N MET A 55 -5.523 -7.440 6.669 1.00 0.00 N ATOM 792 CA MET A 55 -5.433 -7.475 8.124 1.00 0.00 C ATOM 793 C MET A 55 -6.637 -6.781 8.754 1.00 0.00 C ATOM 794 O MET A 55 -7.245 -7.297 9.690 1.00 0.00 O ATOM 795 CB MET A 55 -4.146 -6.798 8.597 1.00 0.00 C ATOM 796 CG MET A 55 -2.879 -7.456 8.075 1.00 0.00 C ATOM 797 SD MET A 55 -2.651 -9.130 8.709 1.00 0.00 S ATOM 798 CE MET A 55 -2.484 -8.805 10.463 1.00 0.00 C ATOM 0 H MET A 55 -5.926 -6.582 6.293 1.00 0.00 H new ATOM 0 HA MET A 55 -5.423 -8.519 8.436 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.159 -5.755 8.282 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.124 -6.802 9.687 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.912 -7.486 6.986 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.018 -6.847 8.351 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.979 -9.644 10.942 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.899 -7.897 10.611 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.472 -8.676 10.905 1.00 0.00 H new ATOM 808 N SER A 56 -6.973 -5.607 8.228 1.00 0.00 N ATOM 809 CA SER A 56 -8.102 -4.829 8.730 1.00 0.00 C ATOM 810 C SER A 56 -8.505 -3.760 7.719 1.00 0.00 C ATOM 811 O SER A 56 -7.732 -3.425 6.821 1.00 0.00 O ATOM 812 CB SER A 56 -7.751 -4.170 10.067 1.00 0.00 C ATOM 813 OG SER A 56 -7.472 -5.140 11.062 1.00 0.00 O ATOM 0 H SER A 56 -6.477 -5.171 7.450 1.00 0.00 H new ATOM 0 HA SER A 56 -8.941 -5.509 8.882 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.886 -3.519 9.938 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.579 -3.540 10.393 1.00 0.00 H new ATOM 0 HG SER A 56 -7.708 -6.030 10.726 1.00 0.00 H new ATOM 819 N ALA A 57 -9.718 -3.234 7.867 1.00 0.00 N ATOM 820 CA ALA A 57 -10.221 -2.203 6.963 1.00 0.00 C ATOM 821 C ALA A 57 -9.565 -0.851 7.241 1.00 0.00 C ATOM 822 O ALA A 57 -10.206 0.195 7.130 1.00 0.00 O ATOM 823 CB ALA A 57 -11.734 -2.092 7.079 1.00 0.00 C ATOM 0 H ALA A 57 -10.370 -3.504 8.603 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.965 -2.495 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.095 -1.320 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.190 -3.047 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.002 -1.829 8.102 1.00 0.00 H new ATOM 829 N SER A 58 -8.283 -0.883 7.595 1.00 0.00 N ATOM 830 CA SER A 58 -7.524 0.328 7.885 1.00 0.00 C ATOM 831 C SER A 58 -6.062 -0.018 8.145 1.00 0.00 C ATOM 832 O SER A 58 -5.326 0.755 8.759 1.00 0.00 O ATOM 833 CB SER A 58 -8.114 1.052 9.099 1.00 0.00 C ATOM 834 OG SER A 58 -8.104 0.218 10.244 1.00 0.00 O ATOM 0 H SER A 58 -7.744 -1.744 7.688 1.00 0.00 H new ATOM 0 HA SER A 58 -7.584 0.989 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.542 1.958 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.136 1.362 8.880 1.00 0.00 H new ATOM 0 HG SER A 58 -8.484 0.704 11.006 1.00 0.00 H new ATOM 840 N LYS A 59 -5.653 -1.189 7.666 1.00 0.00 N ATOM 841 CA LYS A 59 -4.282 -1.657 7.832 1.00 0.00 C ATOM 842 C LYS A 59 -3.999 -2.826 6.892 1.00 0.00 C ATOM 843 O LYS A 59 -4.782 -3.774 6.818 1.00 0.00 O ATOM 844 CB LYS A 59 -4.035 -2.077 9.283 1.00 0.00 C ATOM 845 CG LYS A 59 -2.617 -2.556 9.546 1.00 0.00 C ATOM 846 CD LYS A 59 -2.410 -2.909 11.011 1.00 0.00 C ATOM 847 CE LYS A 59 -0.995 -3.400 11.271 1.00 0.00 C ATOM 848 NZ LYS A 59 -0.674 -4.616 10.473 1.00 0.00 N ATOM 0 H LYS A 59 -6.256 -1.835 7.157 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.607 -0.838 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.252 -1.233 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.733 -2.872 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.406 -3.428 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.910 -1.780 9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.612 -2.034 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.123 -3.679 11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.286 -2.609 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.876 -3.620 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.183 -5.065 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.468 -5.285 10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.513 -4.348 9.481 1.00 0.00 H new ATOM 862 N ILE A 60 -2.879 -2.757 6.177 1.00 0.00 N ATOM 863 CA ILE A 60 -2.501 -3.815 5.243 1.00 0.00 C ATOM 864 C ILE A 60 -0.984 -3.961 5.167 1.00 0.00 C ATOM 865 O ILE A 60 -0.275 -3.010 4.837 1.00 0.00 O ATOM 866 CB ILE A 60 -3.044 -3.539 3.823 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.575 -3.461 3.833 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.571 -4.616 2.855 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.177 -3.124 2.485 1.00 0.00 C ATOM 0 H ILE A 60 -2.218 -1.981 6.226 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.940 -4.738 5.620 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.656 -2.577 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.976 -4.416 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.887 -2.709 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.962 -4.407 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.481 -4.623 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.931 -5.589 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.263 -3.086 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.806 -2.155 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.896 -3.888 1.760 1.00 0.00 H new ATOM 881 N VAL A 61 -0.492 -5.160 5.466 1.00 0.00 N ATOM 882 CA VAL A 61 0.940 -5.431 5.423 1.00 0.00 C ATOM 883 C VAL A 61 1.388 -5.773 4.005 1.00 0.00 C ATOM 884 O VAL A 61 0.752 -6.573 3.321 1.00 0.00 O ATOM 885 CB VAL A 61 1.326 -6.588 6.367 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.829 -6.825 6.340 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.852 -6.303 7.784 1.00 0.00 C ATOM 0 H VAL A 61 -1.064 -5.958 5.740 1.00 0.00 H new ATOM 0 HA VAL A 61 1.445 -4.523 5.754 1.00 0.00 H new ATOM 0 HB VAL A 61 0.832 -7.495 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.080 -7.645 7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.139 -7.079 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.346 -5.921 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.134 -7.131 8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.314 -5.384 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.232 -6.190 7.789 1.00 0.00 H new ATOM 897 N CYS A 62 2.489 -5.166 3.569 1.00 0.00 N ATOM 898 CA CYS A 62 3.021 -5.412 2.232 1.00 0.00 C ATOM 899 C CYS A 62 4.399 -4.781 2.070 1.00 0.00 C ATOM 900 O CYS A 62 4.609 -3.622 2.430 1.00 0.00 O ATOM 901 CB CYS A 62 2.073 -4.861 1.166 1.00 0.00 C ATOM 902 SG CYS A 62 1.850 -3.069 1.236 1.00 0.00 S ATOM 0 H CYS A 62 3.030 -4.501 4.122 1.00 0.00 H new ATOM 0 HA CYS A 62 3.113 -6.490 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.454 -5.131 0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.101 -5.342 1.275 1.00 0.00 H new ATOM 0 HG CYS A 62 2.903 -2.521 1.767 1.00 0.00 H new ATOM 908 N ARG A 63 5.335 -5.552 1.528 1.00 0.00 N ATOM 909 CA ARG A 63 6.696 -5.074 1.319 1.00 0.00 C ATOM 910 C ARG A 63 6.817 -4.317 0.000 1.00 0.00 C ATOM 911 O ARG A 63 6.326 -4.773 -1.034 1.00 0.00 O ATOM 912 CB ARG A 63 7.674 -6.250 1.329 1.00 0.00 C ATOM 913 CG ARG A 63 7.578 -7.110 2.577 1.00 0.00 C ATOM 914 CD ARG A 63 8.562 -8.268 2.532 1.00 0.00 C ATOM 915 NE ARG A 63 8.355 -9.113 1.359 1.00 0.00 N ATOM 916 CZ ARG A 63 9.073 -10.203 1.098 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.031 -10.588 1.931 1.00 0.00 N ATOM 918 NH2 ARG A 63 8.830 -10.910 0.003 1.00 0.00 N ATOM 0 H ARG A 63 5.175 -6.513 1.225 1.00 0.00 H new ATOM 0 HA ARG A 63 6.941 -4.391 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.489 -6.873 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.691 -5.867 1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.774 -6.498 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.564 -7.497 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.580 -7.879 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.457 -8.869 3.435 1.00 0.00 H new ATOM 0 HE ARG A 63 7.619 -8.853 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.220 -10.048 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.579 -11.424 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.093 -10.619 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.380 -11.745 -0.197 1.00 0.00 H new ATOM 932 N VAL A 64 7.483 -3.168 0.042 1.00 0.00 N ATOM 933 CA VAL A 64 7.683 -2.354 -1.151 1.00 0.00 C ATOM 934 C VAL A 64 8.678 -3.033 -2.101 1.00 0.00 C ATOM 935 O VAL A 64 8.742 -4.261 -2.152 1.00 0.00 O ATOM 936 CB VAL A 64 8.173 -0.941 -0.773 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.105 -0.208 0.023 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.468 -1.014 0.021 1.00 0.00 C ATOM 0 H VAL A 64 7.894 -2.779 0.891 1.00 0.00 H new ATOM 0 HA VAL A 64 6.726 -2.256 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 64 8.367 -0.388 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.464 0.788 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.199 -0.122 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.885 -0.764 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.795 -0.006 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.303 -1.585 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.235 -1.503 -0.579 1.00 0.00 H new ATOM 948 N GLY A 65 9.457 -2.248 -2.848 1.00 0.00 N ATOM 949 CA GLY A 65 10.420 -2.841 -3.760 1.00 0.00 C ATOM 950 C GLY A 65 11.225 -1.817 -4.540 1.00 0.00 C ATOM 951 O GLY A 65 12.456 -1.871 -4.548 1.00 0.00 O ATOM 0 H GLY A 65 9.438 -1.228 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.103 -3.474 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.894 -3.488 -4.461 1.00 0.00 H new ATOM 955 N GLN A 66 10.542 -0.888 -5.206 1.00 0.00 N ATOM 956 CA GLN A 66 11.226 0.136 -5.993 1.00 0.00 C ATOM 957 C GLN A 66 10.243 1.127 -6.607 1.00 0.00 C ATOM 958 O GLN A 66 9.204 0.741 -7.140 1.00 0.00 O ATOM 959 CB GLN A 66 12.050 -0.515 -7.107 1.00 0.00 C ATOM 960 CG GLN A 66 11.216 -1.337 -8.077 1.00 0.00 C ATOM 961 CD GLN A 66 12.046 -1.939 -9.194 1.00 0.00 C ATOM 962 OE1 GLN A 66 12.674 -1.222 -9.972 1.00 0.00 O ATOM 963 NE2 GLN A 66 12.054 -3.265 -9.277 1.00 0.00 N ATOM 0 H GLN A 66 9.524 -0.823 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 66 11.884 0.681 -5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.576 0.263 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.809 -1.156 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.713 -2.136 -7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.438 -0.706 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.518 -3.821 -8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.596 -3.727 -10.007 1.00 0.00 H new ATOM 972 N ALA A 67 10.591 2.410 -6.542 1.00 0.00 N ATOM 973 CA ALA A 67 9.751 3.459 -7.107 1.00 0.00 C ATOM 974 C ALA A 67 10.013 3.616 -8.603 1.00 0.00 C ATOM 975 O ALA A 67 11.146 3.852 -9.019 1.00 0.00 O ATOM 976 CB ALA A 67 9.996 4.776 -6.387 1.00 0.00 C ATOM 0 H ALA A 67 11.448 2.746 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 67 8.708 3.173 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.362 5.550 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.759 4.662 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.042 5.061 -6.496 1.00 0.00 H new ATOM 982 N LYS A 68 8.961 3.485 -9.407 1.00 0.00 N ATOM 983 CA LYS A 68 9.090 3.614 -10.855 1.00 0.00 C ATOM 984 C LYS A 68 9.056 5.076 -11.289 1.00 0.00 C ATOM 985 O LYS A 68 9.960 5.546 -11.980 1.00 0.00 O ATOM 986 CB LYS A 68 7.978 2.838 -11.563 1.00 0.00 C ATOM 987 CG LYS A 68 8.077 1.332 -11.387 1.00 0.00 C ATOM 988 CD LYS A 68 6.934 0.617 -12.091 1.00 0.00 C ATOM 989 CE LYS A 68 7.074 -0.893 -11.995 1.00 0.00 C ATOM 990 NZ LYS A 68 5.948 -1.597 -12.670 1.00 0.00 N ATOM 0 H LYS A 68 8.014 3.290 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 68 10.056 3.196 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.013 3.176 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.004 3.073 -12.627 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.029 0.979 -11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.064 1.086 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.986 0.924 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.909 0.915 -13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.017 -1.200 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.111 -1.189 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.034 -2.621 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.045 -1.260 -12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.979 -1.402 -13.691 1.00 0.00 H new ATOM 1004 N ASN A 69 8.008 5.789 -10.888 1.00 0.00 N ATOM 1005 CA ASN A 69 7.864 7.196 -11.247 1.00 0.00 C ATOM 1006 C ASN A 69 8.939 8.040 -10.574 1.00 0.00 C ATOM 1007 O ASN A 69 9.832 8.568 -11.237 1.00 0.00 O ATOM 1008 CB ASN A 69 6.477 7.706 -10.851 1.00 0.00 C ATOM 1009 CG ASN A 69 5.359 6.910 -11.497 1.00 0.00 C ATOM 1010 OD1 ASN A 69 5.259 6.840 -12.722 1.00 0.00 O ATOM 1011 ND2 ASN A 69 4.509 6.308 -10.674 1.00 0.00 N ATOM 0 H ASN A 69 7.249 5.418 -10.317 1.00 0.00 H new ATOM 0 HA ASN A 69 7.981 7.284 -12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.372 7.660 -9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.384 8.754 -11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.735 5.761 -11.051 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.630 6.393 -9.665 1.00 0.00 H new ATOM 1018 N ASP A 70 8.846 8.154 -9.252 1.00 0.00 N ATOM 1019 CA ASP A 70 9.806 8.928 -8.470 1.00 0.00 C ATOM 1020 C ASP A 70 9.405 8.937 -6.998 1.00 0.00 C ATOM 1021 O ASP A 70 10.208 8.619 -6.121 1.00 0.00 O ATOM 1022 CB ASP A 70 9.893 10.366 -8.993 1.00 0.00 C ATOM 1023 CG ASP A 70 10.934 11.195 -8.264 1.00 0.00 C ATOM 1024 OD1 ASP A 70 11.631 10.643 -7.387 1.00 0.00 O ATOM 1025 OD2 ASP A 70 11.058 12.398 -8.576 1.00 0.00 O ATOM 0 H ASP A 70 8.110 7.717 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 70 10.785 8.459 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.130 10.347 -10.057 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.919 10.844 -8.892 1.00 0.00 H new ATOM 1030 N LYS A 71 8.154 9.303 -6.740 1.00 0.00 N ATOM 1031 CA LYS A 71 7.634 9.355 -5.383 1.00 0.00 C ATOM 1032 C LYS A 71 7.325 7.940 -4.877 1.00 0.00 C ATOM 1033 O LYS A 71 8.215 7.090 -4.834 1.00 0.00 O ATOM 1034 CB LYS A 71 6.391 10.252 -5.341 1.00 0.00 C ATOM 1035 CG LYS A 71 6.000 10.692 -3.940 1.00 0.00 C ATOM 1036 CD LYS A 71 4.702 11.483 -3.948 1.00 0.00 C ATOM 1037 CE LYS A 71 4.354 12.001 -2.563 1.00 0.00 C ATOM 1038 NZ LYS A 71 5.395 12.929 -2.038 1.00 0.00 N ATOM 0 H LYS A 71 7.480 9.569 -7.458 1.00 0.00 H new ATOM 0 HA LYS A 71 8.386 9.784 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.571 11.136 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.554 9.719 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.890 9.817 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.796 11.302 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.790 12.321 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.893 10.852 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.394 12.516 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.240 11.160 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.009 13.464 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.222 12.382 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.681 13.590 -2.788 1.00 0.00 H new ATOM 1052 N GLY A 72 6.072 7.683 -4.499 1.00 0.00 N ATOM 1053 CA GLY A 72 5.700 6.367 -4.011 1.00 0.00 C ATOM 1054 C GLY A 72 4.274 6.320 -3.494 1.00 0.00 C ATOM 1055 O GLY A 72 4.016 5.788 -2.414 1.00 0.00 O ATOM 0 H GLY A 72 5.311 8.362 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.816 5.639 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.382 6.073 -3.213 1.00 0.00 H new ATOM 1059 N ASP A 73 3.348 6.881 -4.265 1.00 0.00 N ATOM 1060 CA ASP A 73 1.941 6.908 -3.878 1.00 0.00 C ATOM 1061 C ASP A 73 1.359 5.498 -3.792 1.00 0.00 C ATOM 1062 O ASP A 73 1.477 4.708 -4.728 1.00 0.00 O ATOM 1063 CB ASP A 73 1.133 7.740 -4.877 1.00 0.00 C ATOM 1064 CG ASP A 73 1.613 9.176 -4.958 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.790 9.389 -5.318 1.00 0.00 O ATOM 1066 OD2 ASP A 73 0.812 10.087 -4.664 1.00 0.00 O ATOM 0 H ASP A 73 3.546 7.324 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 73 1.878 7.364 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.199 7.282 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.082 7.727 -4.589 1.00 0.00 H new ATOM 1071 N ILE A 74 0.724 5.197 -2.663 1.00 0.00 N ATOM 1072 CA ILE A 74 0.111 3.890 -2.449 1.00 0.00 C ATOM 1073 C ILE A 74 -1.305 3.857 -3.020 1.00 0.00 C ATOM 1074 O ILE A 74 -2.068 4.810 -2.860 1.00 0.00 O ATOM 1075 CB ILE A 74 0.070 3.536 -0.949 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.482 3.602 -0.356 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.537 2.153 -0.744 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.530 3.403 1.145 1.00 0.00 C ATOM 0 H ILE A 74 0.620 5.843 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 74 0.723 3.152 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.558 4.262 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.101 2.842 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.922 4.569 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.558 1.919 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.553 2.139 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.065 1.410 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.563 3.464 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.940 4.178 1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.122 2.424 1.395 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.651 2.762 -3.692 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.976 2.617 -4.290 1.00 0.00 C ATOM 1092 C ILE A 75 -3.573 1.244 -3.994 1.00 0.00 C ATOM 1093 O ILE A 75 -2.867 0.235 -3.988 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.930 2.827 -5.821 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -2.412 4.231 -6.156 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -4.308 2.606 -6.437 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -3.284 5.351 -5.626 1.00 0.00 C ATOM 0 H ILE A 75 -1.034 1.963 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.607 3.385 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.243 2.095 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.407 4.343 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.331 4.329 -7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.253 2.759 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.640 1.588 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.017 3.313 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.851 6.312 -5.904 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.284 5.267 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.346 5.281 -4.540 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.882 1.217 -3.757 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.589 -0.024 -3.468 1.00 0.00 C ATOM 1111 C VAL A 76 -6.956 -0.035 -4.147 1.00 0.00 C ATOM 1112 O VAL A 76 -7.732 0.912 -4.022 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.767 -0.232 -1.952 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.488 0.954 -1.334 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.516 -1.528 -1.671 1.00 0.00 C ATOM 0 H VAL A 76 -5.476 2.046 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.983 -0.841 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.780 -0.307 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.605 0.791 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.907 1.861 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.470 1.063 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.631 -1.656 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.500 -1.489 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.954 -2.369 -2.078 1.00 0.00 H new ATOM 1125 N THR A 77 -7.237 -1.108 -4.879 1.00 0.00 N ATOM 1126 CA THR A 77 -8.503 -1.236 -5.590 1.00 0.00 C ATOM 1127 C THR A 77 -9.464 -2.165 -4.854 1.00 0.00 C ATOM 1128 O THR A 77 -9.058 -3.197 -4.318 1.00 0.00 O ATOM 1129 CB THR A 77 -8.289 -1.760 -7.022 1.00 0.00 C ATOM 1130 OG1 THR A 77 -7.291 -0.975 -7.684 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.584 -1.704 -7.817 1.00 0.00 C ATOM 0 H THR A 77 -6.606 -1.901 -4.995 1.00 0.00 H new ATOM 0 HA THR A 77 -8.940 -0.239 -5.636 1.00 0.00 H new ATOM 0 HB THR A 77 -7.960 -2.797 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.158 -1.314 -8.594 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.408 -2.079 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.339 -2.319 -7.327 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.935 -0.673 -7.869 1.00 0.00 H new ATOM 1139 N THR A 78 -10.739 -1.792 -4.836 1.00 0.00 N ATOM 1140 CA THR A 78 -11.766 -2.586 -4.172 1.00 0.00 C ATOM 1141 C THR A 78 -12.865 -2.985 -5.153 1.00 0.00 C ATOM 1142 O THR A 78 -13.146 -2.260 -6.108 1.00 0.00 O ATOM 1143 CB THR A 78 -12.397 -1.825 -2.991 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.979 -0.599 -3.451 1.00 0.00 O ATOM 1145 CG2 THR A 78 -11.356 -1.527 -1.922 1.00 0.00 C ATOM 0 H THR A 78 -11.087 -0.940 -5.276 1.00 0.00 H new ATOM 0 HA THR A 78 -11.276 -3.482 -3.790 1.00 0.00 H new ATOM 0 HB THR A 78 -13.173 -2.454 -2.556 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.670 0.141 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.825 -0.989 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.936 -2.462 -1.553 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.561 -0.916 -2.349 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.475 -4.144 -4.915 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.539 -4.646 -5.781 1.00 0.00 C ATOM 1155 C LYS A 79 -15.616 -3.588 -6.002 1.00 0.00 C ATOM 1156 O LYS A 79 -15.984 -3.294 -7.141 1.00 0.00 O ATOM 1157 CB LYS A 79 -15.168 -5.905 -5.175 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.185 -7.051 -4.984 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.621 -7.541 -6.310 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.701 -8.156 -7.188 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.354 -9.323 -6.531 1.00 0.00 N ATOM 0 H LYS A 79 -13.250 -4.754 -4.129 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.095 -4.892 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.608 -5.652 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.981 -6.240 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.368 -6.725 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.683 -7.876 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.154 -6.709 -6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.840 -8.278 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.453 -7.402 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.263 -8.471 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.905 -9.854 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.626 -9.943 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.987 -8.988 -5.777 1.00 0.00 H new ATOM 1175 N SER A 80 -16.117 -3.016 -4.911 1.00 0.00 N ATOM 1176 CA SER A 80 -17.149 -1.989 -4.994 1.00 0.00 C ATOM 1177 C SER A 80 -16.578 -0.699 -5.575 1.00 0.00 C ATOM 1178 O SER A 80 -17.092 -0.167 -6.560 1.00 0.00 O ATOM 1179 CB SER A 80 -17.744 -1.722 -3.612 1.00 0.00 C ATOM 1180 OG SER A 80 -18.375 -2.881 -3.093 1.00 0.00 O ATOM 0 H SER A 80 -15.825 -3.246 -3.961 1.00 0.00 H new ATOM 0 HA SER A 80 -17.938 -2.349 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.957 -1.397 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.467 -0.909 -3.675 1.00 0.00 H new ATOM 0 HG SER A 80 -18.745 -2.683 -2.208 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.509 -0.207 -4.958 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.876 1.011 -5.426 1.00 0.00 C ATOM 1188 C GLY A 81 -13.866 0.748 -6.525 1.00 0.00 C ATOM 1189 O GLY A 81 -14.157 0.041 -7.490 1.00 0.00 O ATOM 0 H GLY A 81 -15.069 -0.631 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.639 1.697 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.380 1.505 -4.590 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.674 1.314 -6.372 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.625 1.127 -7.356 1.00 0.00 C ATOM 1195 C GLY A 82 -10.302 1.693 -6.884 1.00 0.00 C ATOM 1196 O GLY A 82 -9.978 1.615 -5.699 1.00 0.00 O ATOM 0 H GLY A 82 -12.415 1.902 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.511 0.064 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.913 1.608 -8.290 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.536 2.272 -7.803 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.248 2.855 -7.451 1.00 0.00 C ATOM 1202 C LYS A 83 -8.436 4.082 -6.567 1.00 0.00 C ATOM 1203 O LYS A 83 -9.042 5.071 -6.980 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.468 3.232 -8.712 1.00 0.00 C ATOM 1205 CG LYS A 83 -7.007 2.033 -9.524 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.380 2.454 -10.844 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.107 3.260 -10.630 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.066 2.474 -9.912 1.00 0.00 N ATOM 0 H LYS A 83 -9.783 2.349 -8.790 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.679 2.110 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.094 3.866 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.598 3.824 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.284 1.458 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.855 1.377 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.155 1.569 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.095 3.047 -11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.716 3.584 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.339 4.160 -10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.503 3.110 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.523 1.753 -9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.444 2.009 -10.603 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.914 4.009 -5.347 1.00 0.00 N ATOM 1223 CA GLY A 84 -8.036 5.118 -4.422 1.00 0.00 C ATOM 1224 C GLY A 84 -6.956 6.163 -4.615 1.00 0.00 C ATOM 1225 O GLY A 84 -6.670 6.575 -5.740 1.00 0.00 O ATOM 0 H GLY A 84 -7.409 3.201 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.013 5.584 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.992 4.740 -3.401 1.00 0.00 H new ATOM 1229 N THR A 85 -6.358 6.588 -3.509 1.00 0.00 N ATOM 1230 CA THR A 85 -5.302 7.592 -3.537 1.00 0.00 C ATOM 1231 C THR A 85 -4.476 7.547 -2.263 1.00 0.00 C ATOM 1232 O THR A 85 -4.690 6.697 -1.398 1.00 0.00 O ATOM 1233 CB THR A 85 -5.878 9.011 -3.732 1.00 0.00 C ATOM 1234 OG1 THR A 85 -4.961 10.010 -3.273 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.207 9.160 -3.010 1.00 0.00 C ATOM 0 H THR A 85 -6.589 6.250 -2.575 1.00 0.00 H new ATOM 0 HA THR A 85 -4.659 7.359 -4.386 1.00 0.00 H new ATOM 0 HB THR A 85 -6.039 9.154 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.350 10.899 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.593 10.168 -3.162 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.919 8.435 -3.405 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.064 8.983 -1.944 1.00 0.00 H new ATOM 1243 N SER A 86 -3.531 8.467 -2.157 1.00 0.00 N ATOM 1244 CA SER A 86 -2.663 8.538 -0.987 1.00 0.00 C ATOM 1245 C SER A 86 -1.843 9.823 -0.976 1.00 0.00 C ATOM 1246 O SER A 86 -1.103 10.109 -1.917 1.00 0.00 O ATOM 1247 CB SER A 86 -1.722 7.332 -0.962 1.00 0.00 C ATOM 1248 OG SER A 86 -0.915 7.295 -2.125 1.00 0.00 O ATOM 0 H SER A 86 -3.343 9.176 -2.866 1.00 0.00 H new ATOM 0 HA SER A 86 -3.298 8.531 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.088 7.379 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.304 6.413 -0.889 1.00 0.00 H new ATOM 0 HG SER A 86 -0.713 8.210 -2.412 1.00 0.00 H new ATOM 1254 N THR A 87 -1.965 10.584 0.108 1.00 0.00 N ATOM 1255 CA THR A 87 -1.222 11.827 0.259 1.00 0.00 C ATOM 1256 C THR A 87 0.061 11.581 1.047 1.00 0.00 C ATOM 1257 O THR A 87 0.517 12.439 1.805 1.00 0.00 O ATOM 1258 CB THR A 87 -2.064 12.903 0.972 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.417 12.456 2.287 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.327 13.213 0.182 1.00 0.00 C ATOM 0 H THR A 87 -2.573 10.359 0.895 1.00 0.00 H new ATOM 0 HA THR A 87 -0.976 12.188 -0.740 1.00 0.00 H new ATOM 0 HB THR A 87 -1.467 13.812 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.950 13.146 2.735 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.905 13.975 0.705 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.056 13.579 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.926 12.308 0.083 1.00 0.00 H new ATOM 1268 N VAL A 88 0.631 10.394 0.856 1.00 0.00 N ATOM 1269 CA VAL A 88 1.858 9.993 1.537 1.00 0.00 C ATOM 1270 C VAL A 88 2.632 8.984 0.695 1.00 0.00 C ATOM 1271 O VAL A 88 2.046 8.255 -0.106 1.00 0.00 O ATOM 1272 CB VAL A 88 1.571 9.368 2.919 1.00 0.00 C ATOM 1273 CG1 VAL A 88 1.015 10.405 3.882 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.613 8.194 2.782 1.00 0.00 C ATOM 0 H VAL A 88 0.256 9.685 0.226 1.00 0.00 H new ATOM 0 HA VAL A 88 2.451 10.897 1.678 1.00 0.00 H new ATOM 0 HB VAL A 88 2.512 9.001 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.822 9.938 4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.739 11.211 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.085 10.811 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.421 7.764 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.325 8.539 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.056 7.436 2.135 1.00 0.00 H new ATOM 1284 N SER A 89 3.949 8.951 0.872 1.00 0.00 N ATOM 1285 CA SER A 89 4.795 8.033 0.117 1.00 0.00 C ATOM 1286 C SER A 89 5.948 7.515 0.972 1.00 0.00 C ATOM 1287 O SER A 89 6.519 8.248 1.779 1.00 0.00 O ATOM 1288 CB SER A 89 5.341 8.725 -1.131 1.00 0.00 C ATOM 1289 OG SER A 89 6.123 9.856 -0.787 1.00 0.00 O ATOM 0 H SER A 89 4.452 9.547 1.529 1.00 0.00 H new ATOM 0 HA SER A 89 4.184 7.181 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.945 8.022 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.514 9.032 -1.771 1.00 0.00 H new ATOM 0 HG SER A 89 6.910 9.899 -1.370 1.00 0.00 H new ATOM 1295 N PHE A 90 6.277 6.240 0.788 1.00 0.00 N ATOM 1296 CA PHE A 90 7.354 5.605 1.539 1.00 0.00 C ATOM 1297 C PHE A 90 8.709 5.854 0.881 1.00 0.00 C ATOM 1298 O PHE A 90 8.867 5.667 -0.327 1.00 0.00 O ATOM 1299 CB PHE A 90 7.102 4.100 1.643 1.00 0.00 C ATOM 1300 CG PHE A 90 8.205 3.353 2.338 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.507 3.607 3.666 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.938 2.393 1.659 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.520 2.919 4.304 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.953 1.701 2.292 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.243 1.964 3.616 1.00 0.00 C ATOM 0 H PHE A 90 5.811 5.624 0.122 1.00 0.00 H new ATOM 0 HA PHE A 90 7.372 6.043 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.167 3.933 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.973 3.691 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.944 4.352 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.714 2.183 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.747 3.127 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.518 0.956 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.035 1.423 4.113 1.00 0.00 H new ATOM 1315 N LYS A 91 9.686 6.265 1.685 1.00 0.00 N ATOM 1316 CA LYS A 91 11.031 6.528 1.183 1.00 0.00 C ATOM 1317 C LYS A 91 11.822 5.230 1.058 1.00 0.00 C ATOM 1318 O LYS A 91 12.025 4.520 2.042 1.00 0.00 O ATOM 1319 CB LYS A 91 11.764 7.498 2.116 1.00 0.00 C ATOM 1320 CG LYS A 91 13.179 7.828 1.664 1.00 0.00 C ATOM 1321 CD LYS A 91 13.871 8.809 2.606 1.00 0.00 C ATOM 1322 CE LYS A 91 14.155 8.197 3.972 1.00 0.00 C ATOM 1323 NZ LYS A 91 12.909 7.906 4.734 1.00 0.00 N ATOM 0 H LYS A 91 9.571 6.423 2.686 1.00 0.00 H new ATOM 0 HA LYS A 91 10.945 6.980 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.190 8.422 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.803 7.067 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.763 6.910 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.148 8.251 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.807 9.141 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.246 9.693 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.722 7.275 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.780 8.878 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.044 8.165 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.122 8.458 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.689 6.892 4.666 1.00 0.00 H new ATOM 1337 N LEU A 92 12.274 4.927 -0.157 1.00 0.00 N ATOM 1338 CA LEU A 92 13.049 3.715 -0.401 1.00 0.00 C ATOM 1339 C LEU A 92 14.514 3.923 -0.026 1.00 0.00 C ATOM 1340 O LEU A 92 15.132 4.909 -0.427 1.00 0.00 O ATOM 1341 CB LEU A 92 12.941 3.286 -1.870 1.00 0.00 C ATOM 1342 CG LEU A 92 11.566 2.777 -2.318 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.104 1.631 -1.434 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.542 3.903 -2.320 1.00 0.00 C ATOM 0 H LEU A 92 12.117 5.502 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 92 12.637 2.924 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.215 4.134 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.675 2.502 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 92 11.660 2.406 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.126 1.284 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.820 0.812 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.033 1.973 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.575 3.515 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.452 4.314 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.865 4.687 -3.005 1.00 0.00 H new ATOM 1356 N LEU A 93 15.061 2.987 0.744 1.00 0.00 N ATOM 1357 CA LEU A 93 16.454 3.067 1.174 1.00 0.00 C ATOM 1358 C LEU A 93 17.320 2.050 0.435 1.00 0.00 C ATOM 1359 O LEU A 93 16.871 0.946 0.124 1.00 0.00 O ATOM 1360 CB LEU A 93 16.558 2.846 2.683 1.00 0.00 C ATOM 1361 CG LEU A 93 15.785 3.849 3.542 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.004 3.564 5.019 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.200 5.275 3.209 1.00 0.00 C ATOM 0 H LEU A 93 14.562 2.165 1.083 1.00 0.00 H new ATOM 0 HA LEU A 93 16.821 4.065 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.200 1.843 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.609 2.882 2.968 1.00 0.00 H new ATOM 0 HG LEU A 93 14.723 3.741 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.447 4.287 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.656 2.557 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.066 3.643 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.638 5.972 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.266 5.397 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.993 5.478 2.158 1.00 0.00 H new ATOM 1375 N LYS A 94 18.563 2.432 0.159 1.00 0.00 N ATOM 1376 CA LYS A 94 19.500 1.560 -0.543 1.00 0.00 C ATOM 1377 C LYS A 94 19.753 0.280 0.256 1.00 0.00 C ATOM 1378 O LYS A 94 20.021 0.334 1.457 1.00 0.00 O ATOM 1379 CB LYS A 94 20.821 2.295 -0.789 1.00 0.00 C ATOM 1380 CG LYS A 94 21.857 1.469 -1.537 1.00 0.00 C ATOM 1381 CD LYS A 94 23.154 2.242 -1.737 1.00 0.00 C ATOM 1382 CE LYS A 94 22.942 3.483 -2.593 1.00 0.00 C ATOM 1383 NZ LYS A 94 22.409 3.142 -3.941 1.00 0.00 N ATOM 0 H LYS A 94 18.946 3.343 0.412 1.00 0.00 H new ATOM 0 HA LYS A 94 19.061 1.286 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.619 3.205 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.239 2.602 0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.061 0.553 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.456 1.173 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.558 2.533 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.894 1.596 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.250 4.158 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.887 4.016 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.500 3.966 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.948 2.345 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.407 2.877 -3.861 1.00 0.00 H new ATOM 1397 N PRO A 95 19.671 -0.891 -0.402 1.00 0.00 N ATOM 1398 CA PRO A 95 19.892 -2.185 0.256 1.00 0.00 C ATOM 1399 C PRO A 95 21.331 -2.357 0.732 1.00 0.00 C ATOM 1400 O PRO A 95 22.275 -2.048 0.007 1.00 0.00 O ATOM 1401 CB PRO A 95 19.563 -3.207 -0.836 1.00 0.00 C ATOM 1402 CG PRO A 95 19.745 -2.472 -2.117 1.00 0.00 C ATOM 1403 CD PRO A 95 19.358 -1.049 -1.835 1.00 0.00 C ATOM 0 HA PRO A 95 19.282 -2.292 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.224 -4.072 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.543 -3.578 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.778 -2.535 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 95 19.122 -2.898 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.923 -0.349 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.302 -0.871 -2.038 1.00 0.00 H new ATOM 1411 N GLU A 96 21.486 -2.855 1.956 1.00 0.00 N ATOM 1412 CA GLU A 96 22.808 -3.073 2.537 1.00 0.00 C ATOM 1413 C GLU A 96 23.526 -4.232 1.851 1.00 0.00 C ATOM 1414 O GLU A 96 23.600 -5.337 2.392 1.00 0.00 O ATOM 1415 CB GLU A 96 22.687 -3.350 4.037 1.00 0.00 C ATOM 1416 CG GLU A 96 22.065 -2.206 4.819 1.00 0.00 C ATOM 1417 CD GLU A 96 21.949 -2.507 6.299 1.00 0.00 C ATOM 1418 OE1 GLU A 96 22.994 -2.750 6.939 1.00 0.00 O ATOM 1419 OE2 GLU A 96 20.813 -2.503 6.818 1.00 0.00 O ATOM 0 H GLU A 96 20.711 -3.116 2.566 1.00 0.00 H new ATOM 0 HA GLU A 96 23.396 -2.168 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 96 22.087 -4.248 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 96 23.678 -3.558 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 96 22.666 -1.307 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 96 21.075 -1.992 4.417 1.00 0.00 H new ATOM 1426 N LYS A 97 24.055 -3.975 0.658 1.00 0.00 N ATOM 1427 CA LYS A 97 24.767 -4.997 -0.099 1.00 0.00 C ATOM 1428 C LYS A 97 25.995 -5.482 0.668 1.00 0.00 C ATOM 1429 O LYS A 97 25.980 -6.640 1.136 1.00 0.00 O ATOM 1430 CB LYS A 97 25.187 -4.450 -1.467 1.00 0.00 C ATOM 1431 CG LYS A 97 25.921 -5.462 -2.334 1.00 0.00 C ATOM 1432 CD LYS A 97 25.058 -6.679 -2.638 1.00 0.00 C ATOM 1433 CE LYS A 97 23.805 -6.299 -3.413 1.00 0.00 C ATOM 1434 NZ LYS A 97 22.945 -7.484 -3.691 1.00 0.00 N ATOM 1435 OXT LYS A 97 26.959 -4.699 0.793 1.00 0.00 O ATOM 0 H LYS A 97 24.003 -3.067 0.196 1.00 0.00 H new ATOM 0 HA LYS A 97 24.094 -5.842 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 97 24.300 -4.106 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 97 25.827 -3.580 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 97 26.223 -4.989 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.833 -5.780 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 97 25.637 -7.401 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.775 -7.167 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 97 23.236 -5.562 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 97 24.089 -5.827 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.102 -7.184 -4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 23.479 -8.176 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 22.653 -7.920 -2.793 1.00 0.00 H new TER 1449 LYS A 97