USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1339 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 Single : A 4 SER OG : rot -27:sc= 0.0324 USER MOD Single : A 5 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=-0.0082) USER MOD Single : A 15 MET CE :methyl -113:sc= -1.34 (180deg=-2.99) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -0.0385 (180deg=-0.376) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= -0.267 (180deg=-1.4!) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0361) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.22) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0996 (180deg=-0.586) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 61:sc= 0.863 USER MOD Single : A 67 CYS SG : rot -45:sc= 0.162 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0967 (180deg=-0.756) USER MOD Single : A 73 GLN : amide:sc= -0.491 K(o=-0.49,f=-5.3!) USER MOD Single : A 74 SER OG : rot 78:sc= -0.0322 USER MOD Single : A 77 CYS SG : rot -15:sc= -1.64! USER MOD Single : A 80 CYS SG : rot 84:sc= -0.432 USER MOD Single : A 85 CYS SG : rot 83:sc= -1.68 USER MOD Single : B 4 SER OG : rot -29:sc= 0.0381 USER MOD Single : B 5 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.6!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.0804 X(o=-0.08,f=-0.0073) USER MOD Single : B 15 MET CE :methyl 136:sc= -0.89 (180deg=-3.01) USER MOD Single : B 18 LYS NZ :NH3+ -159:sc= -0.0141 (180deg=-0.352) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 148:sc= -0.303 (180deg=-1.31!) USER MOD Single : B 41 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0447) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.22) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 160:sc= -0.0659 (180deg=-0.513) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 69:sc= 0.876 USER MOD Single : B 67 CYS SG : rot -40:sc= 0.48 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : B 72 LYS NZ :NH3+ -133:sc= -0.0875 (180deg=-0.725) USER MOD Single : B 73 GLN : amide:sc= -0.508 K(o=-0.51,f=-5.2!) USER MOD Single : B 74 SER OG : rot 78:sc= -0.04 USER MOD Single : B 77 CYS SG : rot -13:sc= -1.68! USER MOD Single : B 80 CYS SG : rot 84:sc= -0.424 USER MOD Single : B 85 CYS SG : rot 83:sc= -1.68 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.430 -11.139 4.177 1.00 0.63 N ATOM 49 CA SER A 4 121.367 -12.390 3.369 1.00 0.61 C ATOM 50 C SER A 4 122.680 -13.168 3.501 1.00 0.60 C ATOM 51 O SER A 4 123.655 -12.690 4.046 1.00 0.57 O ATOM 52 CB SER A 4 121.139 -12.031 1.901 1.00 0.63 C ATOM 53 OG SER A 4 122.276 -11.336 1.406 1.00 1.51 O ATOM 0 HA SER A 4 120.547 -13.009 3.732 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.967 -12.935 1.316 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.248 -11.412 1.800 1.00 0.63 H new ATOM 0 HG SER A 4 122.720 -10.868 2.144 1.00 1.51 H new ATOM 59 N GLN A 5 122.691 -14.378 3.009 1.00 0.63 N ATOM 60 CA GLN A 5 123.910 -15.231 3.093 1.00 0.64 C ATOM 61 C GLN A 5 125.107 -14.496 2.488 1.00 0.60 C ATOM 62 O GLN A 5 126.245 -14.835 2.744 1.00 0.59 O ATOM 63 CB GLN A 5 123.676 -16.530 2.317 1.00 0.71 C ATOM 64 CG GLN A 5 122.589 -17.357 3.009 1.00 1.34 C ATOM 65 CD GLN A 5 122.259 -18.580 2.150 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.483 -18.577 0.956 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.732 -19.635 2.710 1.00 2.18 N ATOM 0 H GLN A 5 121.895 -14.817 2.546 1.00 0.63 H new ATOM 0 HA GLN A 5 124.115 -15.454 4.140 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.378 -16.304 1.293 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.602 -17.103 2.261 1.00 0.71 H new ATOM 0 HG2 GLN A 5 122.929 -17.672 3.996 1.00 1.34 H new ATOM 0 HG3 GLN A 5 121.695 -16.751 3.158 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.543 -19.640 3.712 1.00 2.18 H new ATOM 0 HE22 GLN A 5 121.509 -20.455 2.145 1.00 2.18 H new ATOM 76 N LYS A 6 124.867 -13.495 1.681 1.00 0.59 N ATOM 77 CA LYS A 6 125.998 -12.752 1.061 1.00 0.57 C ATOM 78 C LYS A 6 126.867 -12.141 2.161 1.00 0.51 C ATOM 79 O LYS A 6 128.077 -12.094 2.052 1.00 0.50 O ATOM 80 CB LYS A 6 125.452 -11.626 0.179 1.00 0.58 C ATOM 81 CG LYS A 6 124.778 -12.212 -1.064 1.00 0.65 C ATOM 82 CD LYS A 6 124.240 -11.071 -1.931 1.00 0.81 C ATOM 83 CE LYS A 6 123.563 -11.643 -3.177 1.00 1.26 C ATOM 84 NZ LYS A 6 123.313 -10.545 -4.152 1.00 2.02 N ATOM 0 H LYS A 6 123.937 -13.162 1.426 1.00 0.59 H new ATOM 0 HA LYS A 6 126.590 -13.439 0.456 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.736 -11.027 0.742 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.262 -10.960 -0.117 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.491 -12.810 -1.631 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.965 -12.877 -0.772 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.529 -10.473 -1.361 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.054 -10.407 -2.221 1.00 0.81 H new ATOM 0 HE2 LYS A 6 124.194 -12.408 -3.628 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.623 -12.124 -2.905 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 122.852 -10.932 -5.000 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.695 -9.830 -3.718 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.217 -10.105 -4.419 1.00 2.02 H new ATOM 98 N HIS A 7 126.264 -11.656 3.210 1.00 0.49 N ATOM 99 CA HIS A 7 127.060 -11.030 4.302 1.00 0.45 C ATOM 100 C HIS A 7 128.062 -12.033 4.878 1.00 0.45 C ATOM 101 O HIS A 7 129.233 -11.739 5.018 1.00 0.43 O ATOM 102 CB HIS A 7 126.102 -10.554 5.406 1.00 0.45 C ATOM 103 CG HIS A 7 126.873 -10.177 6.648 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.434 -8.920 6.829 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.177 -10.890 7.783 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.040 -8.918 8.035 1.00 0.38 C ATOM 107 NE2 HIS A 7 127.912 -10.093 8.650 1.00 0.42 N ATOM 0 H HIS A 7 125.255 -11.666 3.358 1.00 0.49 H new ATOM 0 HA HIS A 7 127.616 -10.182 3.902 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.528 -9.697 5.053 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.387 -11.343 5.640 1.00 0.45 H new ATOM 0 HD2 HIS A 7 126.888 -11.913 7.971 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.564 -8.069 8.450 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.278 -10.353 9.566 1.00 0.42 H new ATOM 115 N ARG A 8 127.616 -13.214 5.224 1.00 0.48 N ATOM 116 CA ARG A 8 128.538 -14.231 5.799 1.00 0.50 C ATOM 117 C ARG A 8 129.497 -14.731 4.719 1.00 0.51 C ATOM 118 O ARG A 8 130.637 -15.046 4.986 1.00 0.51 O ATOM 119 CB ARG A 8 127.710 -15.407 6.329 1.00 0.55 C ATOM 120 CG ARG A 8 126.742 -14.922 7.417 1.00 0.57 C ATOM 121 CD ARG A 8 127.484 -14.695 8.741 1.00 1.00 C ATOM 122 NE ARG A 8 126.491 -14.451 9.824 1.00 1.69 N ATOM 123 CZ ARG A 8 126.853 -14.541 11.074 1.00 2.27 C ATOM 124 NH1 ARG A 8 128.082 -14.858 11.376 1.00 2.42 N ATOM 125 NH2 ARG A 8 125.985 -14.313 12.022 1.00 3.21 N ATOM 0 H ARG A 8 126.646 -13.516 5.131 1.00 0.48 H new ATOM 0 HA ARG A 8 129.115 -13.785 6.609 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.152 -15.866 5.513 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.370 -16.174 6.734 1.00 0.55 H new ATOM 0 HG2 ARG A 8 126.264 -13.996 7.099 1.00 0.57 H new ATOM 0 HG3 ARG A 8 125.950 -15.657 7.560 1.00 0.57 H new ATOM 0 HD2 ARG A 8 128.096 -15.564 8.982 1.00 1.00 H new ATOM 0 HD3 ARG A 8 128.159 -13.844 8.652 1.00 1.00 H new ATOM 0 HE ARG A 8 125.528 -14.213 9.588 1.00 1.69 H new ATOM 0 HH11 ARG A 8 128.760 -15.035 10.635 1.00 2.42 H new ATOM 0 HH12 ARG A 8 128.365 -14.928 12.353 1.00 2.42 H new ATOM 0 HH21 ARG A 8 125.024 -14.065 11.785 1.00 3.21 H new ATOM 0 HH22 ARG A 8 126.267 -14.383 13.000 1.00 3.21 H new ATOM 139 N ASP A 9 129.039 -14.805 3.509 1.00 0.52 N ATOM 140 CA ASP A 9 129.919 -15.290 2.413 1.00 0.54 C ATOM 141 C ASP A 9 131.045 -14.285 2.166 1.00 0.49 C ATOM 142 O ASP A 9 132.176 -14.653 1.916 1.00 0.49 O ATOM 143 CB ASP A 9 129.101 -15.454 1.133 1.00 0.61 C ATOM 144 CG ASP A 9 128.143 -16.636 1.283 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.409 -17.487 2.118 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.158 -16.671 0.564 1.00 0.76 O ATOM 0 H ASP A 9 128.092 -14.551 3.227 1.00 0.52 H new ATOM 0 HA ASP A 9 130.348 -16.250 2.700 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.540 -14.542 0.929 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.765 -15.617 0.284 1.00 0.61 H new ATOM 151 N PHE A 10 130.743 -13.019 2.216 1.00 0.46 N ATOM 152 CA PHE A 10 131.796 -11.996 1.960 1.00 0.43 C ATOM 153 C PHE A 10 132.862 -12.037 3.067 1.00 0.38 C ATOM 154 O PHE A 10 134.046 -12.029 2.797 1.00 0.36 O ATOM 155 CB PHE A 10 131.136 -10.614 1.924 1.00 0.45 C ATOM 156 CG PHE A 10 132.116 -9.582 1.420 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.207 -9.329 0.046 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.920 -8.869 2.317 1.00 0.43 C ATOM 159 CE1 PHE A 10 133.101 -8.366 -0.432 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.817 -7.904 1.837 1.00 0.43 C ATOM 161 CZ PHE A 10 133.906 -7.654 0.464 1.00 0.43 C ATOM 0 H PHE A 10 129.816 -12.648 2.422 1.00 0.46 H new ATOM 0 HA PHE A 10 132.283 -12.203 1.007 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.258 -10.639 1.278 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.790 -10.342 2.921 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.586 -9.878 -0.646 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.850 -9.062 3.377 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.170 -8.172 -1.492 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.439 -7.354 2.528 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.597 -6.911 0.095 1.00 0.43 H new ATOM 171 N VAL A 11 132.452 -12.069 4.308 1.00 0.37 N ATOM 172 CA VAL A 11 133.439 -12.095 5.435 1.00 0.35 C ATOM 173 C VAL A 11 133.883 -13.532 5.742 1.00 0.37 C ATOM 174 O VAL A 11 134.625 -13.770 6.674 1.00 0.38 O ATOM 175 CB VAL A 11 132.783 -11.502 6.683 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.308 -10.078 6.383 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.585 -12.370 7.082 1.00 0.40 C ATOM 0 H VAL A 11 131.473 -12.078 4.593 1.00 0.37 H new ATOM 0 HA VAL A 11 134.314 -11.513 5.146 1.00 0.35 H new ATOM 0 HB VAL A 11 133.504 -11.476 7.500 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.840 -9.655 7.272 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.161 -9.463 6.094 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.584 -10.100 5.568 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.113 -11.952 7.971 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.864 -12.392 6.265 1.00 0.40 H new ATOM 0 HG23 VAL A 11 131.925 -13.384 7.294 1.00 0.40 H new ATOM 187 N ALA A 12 133.455 -14.489 4.958 1.00 0.41 N ATOM 188 CA ALA A 12 133.874 -15.912 5.196 1.00 0.48 C ATOM 189 C ALA A 12 134.996 -16.294 4.229 1.00 0.46 C ATOM 190 O ALA A 12 135.674 -17.286 4.411 1.00 0.49 O ATOM 191 CB ALA A 12 132.682 -16.842 4.976 1.00 0.54 C ATOM 0 H ALA A 12 132.833 -14.350 4.162 1.00 0.41 H new ATOM 0 HA ALA A 12 134.231 -16.009 6.221 1.00 0.48 H new ATOM 0 HB1 ALA A 12 132.989 -17.874 5.149 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.883 -16.580 5.669 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.323 -16.737 3.952 1.00 0.54 H new ATOM 197 N GLU A 13 135.201 -15.513 3.205 1.00 0.43 N ATOM 198 CA GLU A 13 136.281 -15.824 2.224 1.00 0.43 C ATOM 199 C GLU A 13 136.740 -14.517 1.567 1.00 0.40 C ATOM 200 O GLU A 13 135.974 -13.578 1.474 1.00 0.37 O ATOM 201 CB GLU A 13 135.732 -16.779 1.157 1.00 0.46 C ATOM 202 CG GLU A 13 134.324 -16.336 0.745 1.00 0.48 C ATOM 203 CD GLU A 13 133.940 -17.012 -0.574 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.366 -18.135 -0.787 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.230 -16.394 -1.350 1.00 1.05 O ATOM 0 H GLU A 13 134.665 -14.669 3.004 1.00 0.43 H new ATOM 0 HA GLU A 13 137.125 -16.296 2.727 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.390 -16.787 0.288 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.705 -17.797 1.545 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.607 -16.599 1.523 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.291 -15.252 0.633 1.00 0.48 H new ATOM 212 N PRO A 14 137.968 -14.446 1.103 1.00 0.42 N ATOM 213 CA PRO A 14 138.496 -13.223 0.436 1.00 0.40 C ATOM 214 C PRO A 14 137.424 -12.517 -0.402 1.00 0.36 C ATOM 215 O PRO A 14 136.448 -13.113 -0.813 1.00 0.36 O ATOM 216 CB PRO A 14 139.612 -13.778 -0.449 1.00 0.45 C ATOM 217 CG PRO A 14 140.157 -14.947 0.315 1.00 0.49 C ATOM 218 CD PRO A 14 138.992 -15.508 1.157 1.00 0.48 C ATOM 0 HA PRO A 14 138.834 -12.467 1.144 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.230 -14.085 -1.423 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.383 -13.029 -0.630 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.545 -15.706 -0.364 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.984 -14.640 0.955 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.617 -16.445 0.745 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.302 -15.712 2.182 1.00 0.48 H new ATOM 226 N MET A 15 137.594 -11.246 -0.647 1.00 0.35 N ATOM 227 CA MET A 15 136.581 -10.487 -1.447 1.00 0.35 C ATOM 228 C MET A 15 136.978 -10.484 -2.927 1.00 0.36 C ATOM 229 O MET A 15 136.139 -10.483 -3.806 1.00 0.39 O ATOM 230 CB MET A 15 136.491 -9.047 -0.926 1.00 0.37 C ATOM 231 CG MET A 15 137.880 -8.401 -0.883 1.00 0.41 C ATOM 232 SD MET A 15 137.821 -6.930 0.170 1.00 0.57 S ATOM 233 CE MET A 15 137.294 -5.761 -1.104 1.00 0.43 C ATOM 0 H MET A 15 138.392 -10.696 -0.328 1.00 0.35 H new ATOM 0 HA MET A 15 135.608 -10.968 -1.345 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.832 -8.463 -1.568 1.00 0.37 H new ATOM 0 HB3 MET A 15 136.051 -9.042 0.071 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.612 -9.110 -0.497 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.199 -8.130 -1.889 1.00 0.41 H new ATOM 0 HE1 MET A 15 138.094 -5.046 -1.295 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.064 -6.302 -2.022 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.405 -5.229 -0.764 1.00 0.43 H new ATOM 243 N GLY A 16 138.252 -10.503 -3.205 1.00 0.37 N ATOM 244 CA GLY A 16 138.714 -10.520 -4.623 1.00 0.40 C ATOM 245 C GLY A 16 138.080 -9.368 -5.411 1.00 0.40 C ATOM 246 O GLY A 16 138.079 -8.233 -4.978 1.00 0.38 O ATOM 0 H GLY A 16 138.997 -10.508 -2.508 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.800 -10.437 -4.658 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.452 -11.472 -5.085 1.00 0.40 H new ATOM 250 N GLU A 17 137.573 -9.655 -6.587 1.00 0.41 N ATOM 251 CA GLU A 17 136.968 -8.591 -7.453 1.00 0.42 C ATOM 252 C GLU A 17 135.450 -8.770 -7.562 1.00 0.40 C ATOM 253 O GLU A 17 134.867 -8.518 -8.598 1.00 0.40 O ATOM 254 CB GLU A 17 137.579 -8.689 -8.852 1.00 0.47 C ATOM 255 CG GLU A 17 139.086 -8.446 -8.770 1.00 0.52 C ATOM 256 CD GLU A 17 139.697 -8.544 -10.168 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.714 -7.539 -10.858 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.137 -9.625 -10.527 1.00 0.85 O ATOM 0 H GLU A 17 137.552 -10.592 -6.989 1.00 0.41 H new ATOM 0 HA GLU A 17 137.173 -7.618 -7.007 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.381 -9.673 -9.278 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.117 -7.956 -9.514 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.283 -7.462 -8.344 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.547 -9.179 -8.108 1.00 0.52 H new ATOM 265 N LYS A 18 134.797 -9.201 -6.518 1.00 0.38 N ATOM 266 CA LYS A 18 133.319 -9.387 -6.605 1.00 0.36 C ATOM 267 C LYS A 18 132.685 -8.036 -6.983 1.00 0.32 C ATOM 268 O LYS A 18 133.205 -6.995 -6.635 1.00 0.31 O ATOM 269 CB LYS A 18 132.775 -9.837 -5.246 1.00 0.36 C ATOM 270 CG LYS A 18 133.235 -11.265 -4.950 1.00 0.45 C ATOM 271 CD LYS A 18 132.817 -11.644 -3.528 1.00 1.17 C ATOM 272 CE LYS A 18 133.055 -13.138 -3.304 1.00 1.44 C ATOM 273 NZ LYS A 18 132.050 -13.922 -4.077 1.00 2.01 N ATOM 0 H LYS A 18 135.216 -9.431 -5.617 1.00 0.38 H new ATOM 0 HA LYS A 18 133.080 -10.143 -7.353 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.124 -9.163 -4.463 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.686 -9.789 -5.246 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.795 -11.958 -5.668 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.317 -11.340 -5.056 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.387 -11.062 -2.803 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.765 -11.406 -3.372 1.00 1.17 H new ATOM 0 HE2 LYS A 18 134.063 -13.408 -3.619 1.00 1.44 H new ATOM 0 HE3 LYS A 18 132.978 -13.374 -2.243 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 131.967 -14.876 -3.671 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 131.127 -13.445 -4.031 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.353 -13.993 -5.069 1.00 2.01 H new ATOM 287 N PRO A 19 131.586 -8.042 -7.707 1.00 0.31 N ATOM 288 CA PRO A 19 130.914 -6.778 -8.142 1.00 0.29 C ATOM 289 C PRO A 19 130.466 -5.919 -6.952 1.00 0.25 C ATOM 290 O PRO A 19 130.255 -6.407 -5.860 1.00 0.24 O ATOM 291 CB PRO A 19 129.712 -7.256 -8.982 1.00 0.32 C ATOM 292 CG PRO A 19 129.491 -8.683 -8.585 1.00 0.33 C ATOM 293 CD PRO A 19 130.862 -9.232 -8.184 1.00 0.34 C ATOM 0 HA PRO A 19 131.588 -6.134 -8.707 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.828 -6.651 -8.782 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.920 -7.173 -10.049 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.787 -8.752 -7.756 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.069 -9.256 -9.411 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.778 -9.989 -7.405 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.370 -9.698 -9.028 1.00 0.34 H new ATOM 301 N VAL A 20 130.333 -4.638 -7.165 1.00 0.25 N ATOM 302 CA VAL A 20 129.916 -3.728 -6.061 1.00 0.23 C ATOM 303 C VAL A 20 128.585 -4.192 -5.461 1.00 0.21 C ATOM 304 O VAL A 20 128.419 -4.261 -4.259 1.00 0.23 O ATOM 305 CB VAL A 20 129.770 -2.306 -6.614 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.689 -2.275 -7.701 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.382 -1.350 -5.480 1.00 0.29 C ATOM 0 H VAL A 20 130.496 -4.180 -8.062 1.00 0.25 H new ATOM 0 HA VAL A 20 130.672 -3.744 -5.276 1.00 0.23 H new ATOM 0 HB VAL A 20 130.721 -1.993 -7.045 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.592 -1.261 -8.089 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.969 -2.948 -8.512 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.737 -2.594 -7.277 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.279 -0.339 -5.875 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.435 -1.668 -5.044 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.156 -1.362 -4.713 1.00 0.29 H new ATOM 317 N GLY A 21 127.628 -4.488 -6.300 1.00 0.23 N ATOM 318 CA GLY A 21 126.290 -4.923 -5.807 1.00 0.21 C ATOM 319 C GLY A 21 126.417 -6.170 -4.927 1.00 0.20 C ATOM 320 O GLY A 21 125.442 -6.642 -4.377 1.00 0.19 O ATOM 0 H GLY A 21 127.718 -4.446 -7.315 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.826 -4.117 -5.239 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.636 -5.134 -6.653 1.00 0.21 H new ATOM 324 N SER A 22 127.596 -6.712 -4.777 1.00 0.20 N ATOM 325 CA SER A 22 127.750 -7.926 -3.920 1.00 0.20 C ATOM 326 C SER A 22 127.907 -7.506 -2.457 1.00 0.19 C ATOM 327 O SER A 22 127.653 -8.275 -1.552 1.00 0.20 O ATOM 328 CB SER A 22 128.988 -8.710 -4.357 1.00 0.23 C ATOM 329 OG SER A 22 128.969 -9.994 -3.745 1.00 1.24 O ATOM 0 H SER A 22 128.455 -6.370 -5.207 1.00 0.20 H new ATOM 0 HA SER A 22 126.865 -8.554 -4.026 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.005 -8.811 -5.442 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.893 -8.172 -4.073 1.00 0.23 H new ATOM 0 HG SER A 22 129.760 -10.501 -4.024 1.00 1.24 H new ATOM 335 N LEU A 23 128.327 -6.293 -2.214 1.00 0.17 N ATOM 336 CA LEU A 23 128.499 -5.840 -0.805 1.00 0.18 C ATOM 337 C LEU A 23 127.140 -5.858 -0.099 1.00 0.18 C ATOM 338 O LEU A 23 126.128 -5.488 -0.660 1.00 0.17 O ATOM 339 CB LEU A 23 129.073 -4.421 -0.790 1.00 0.18 C ATOM 340 CG LEU A 23 130.488 -4.428 -1.386 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.979 -2.984 -1.541 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.452 -5.215 -0.472 1.00 0.24 C ATOM 0 H LEU A 23 128.557 -5.600 -2.927 1.00 0.17 H new ATOM 0 HA LEU A 23 129.186 -6.508 -0.286 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.430 -3.752 -1.363 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.100 -4.040 0.231 1.00 0.18 H new ATOM 0 HG LEU A 23 130.462 -4.913 -2.362 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.984 -2.985 -1.964 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.306 -2.440 -2.204 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.997 -2.499 -0.565 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.451 -5.211 -0.908 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.484 -4.747 0.512 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.103 -6.243 -0.374 1.00 0.24 H new ATOM 354 N ALA A 24 127.120 -6.301 1.122 1.00 0.18 N ATOM 355 CA ALA A 24 125.833 -6.366 1.872 1.00 0.19 C ATOM 356 C ALA A 24 125.259 -4.960 2.076 1.00 0.20 C ATOM 357 O ALA A 24 125.956 -4.025 2.416 1.00 0.20 O ATOM 358 CB ALA A 24 126.074 -7.014 3.235 1.00 0.21 C ATOM 0 H ALA A 24 127.939 -6.623 1.638 1.00 0.18 H new ATOM 0 HA ALA A 24 125.121 -6.958 1.297 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.135 -7.063 3.786 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.465 -8.022 3.095 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.794 -6.420 3.798 1.00 0.21 H new ATOM 364 N GLY A 25 123.977 -4.821 1.867 1.00 0.20 N ATOM 365 CA GLY A 25 123.312 -3.493 2.037 1.00 0.21 C ATOM 366 C GLY A 25 123.252 -2.781 0.685 1.00 0.21 C ATOM 367 O GLY A 25 122.496 -1.849 0.497 1.00 0.22 O ATOM 0 H GLY A 25 123.355 -5.578 1.583 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.306 -3.625 2.436 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.863 -2.887 2.756 1.00 0.21 H new ATOM 371 N ILE A 26 124.039 -3.222 -0.261 1.00 0.20 N ATOM 372 CA ILE A 26 124.030 -2.585 -1.613 1.00 0.21 C ATOM 373 C ILE A 26 123.195 -3.453 -2.548 1.00 0.23 C ATOM 374 O ILE A 26 123.570 -4.565 -2.864 1.00 0.25 O ATOM 375 CB ILE A 26 125.462 -2.505 -2.147 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.374 -1.868 -1.090 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.486 -1.663 -3.423 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.779 -0.542 -0.604 1.00 0.24 C ATOM 0 H ILE A 26 124.691 -3.999 -0.156 1.00 0.20 H new ATOM 0 HA ILE A 26 123.610 -1.581 -1.552 1.00 0.21 H new ATOM 0 HB ILE A 26 125.820 -3.510 -2.371 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.498 -2.549 -0.248 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.365 -1.697 -1.510 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.506 -1.607 -3.803 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.844 -2.123 -4.174 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.125 -0.658 -3.203 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.436 -0.101 0.145 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.679 0.142 -1.446 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.798 -0.723 -0.165 1.00 0.24 H new ATOM 390 N GLY A 27 122.071 -2.973 -3.007 1.00 0.24 N ATOM 391 CA GLY A 27 121.239 -3.796 -3.928 1.00 0.28 C ATOM 392 C GLY A 27 121.625 -3.487 -5.375 1.00 0.28 C ATOM 393 O GLY A 27 122.473 -2.659 -5.641 1.00 0.27 O ATOM 0 H GLY A 27 121.695 -2.051 -2.785 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.386 -4.856 -3.719 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.182 -3.583 -3.769 1.00 0.28 H new ATOM 397 N GLU A 28 121.019 -4.160 -6.306 1.00 0.30 N ATOM 398 CA GLU A 28 121.367 -3.916 -7.731 1.00 0.32 C ATOM 399 C GLU A 28 121.188 -2.432 -8.055 1.00 0.32 C ATOM 400 O GLU A 28 121.970 -1.848 -8.775 1.00 0.34 O ATOM 401 CB GLU A 28 120.458 -4.749 -8.637 1.00 0.36 C ATOM 402 CG GLU A 28 120.815 -6.230 -8.499 1.00 0.39 C ATOM 403 CD GLU A 28 119.906 -7.062 -9.404 1.00 1.28 C ATOM 404 OE1 GLU A 28 119.232 -6.475 -10.234 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.893 -8.272 -9.246 1.00 1.65 O ATOM 0 H GLU A 28 120.301 -4.866 -6.145 1.00 0.30 H new ATOM 0 HA GLU A 28 122.405 -4.203 -7.900 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.414 -4.589 -8.367 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.572 -4.432 -9.674 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.859 -6.390 -8.769 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.702 -6.547 -7.462 1.00 0.39 H new ATOM 412 N VAL A 29 120.160 -1.818 -7.541 1.00 0.31 N ATOM 413 CA VAL A 29 119.930 -0.375 -7.837 1.00 0.33 C ATOM 414 C VAL A 29 121.063 0.471 -7.248 1.00 0.33 C ATOM 415 O VAL A 29 121.591 1.351 -7.897 1.00 0.35 O ATOM 416 CB VAL A 29 118.593 0.055 -7.221 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.434 1.574 -7.321 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.447 -0.632 -7.964 1.00 0.35 C ATOM 0 H VAL A 29 119.469 -2.252 -6.929 1.00 0.31 H new ATOM 0 HA VAL A 29 119.906 -0.227 -8.917 1.00 0.33 H new ATOM 0 HB VAL A 29 118.573 -0.235 -6.170 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.482 1.870 -6.881 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.248 2.061 -6.785 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.459 1.874 -8.369 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.496 -0.327 -7.527 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.472 -0.346 -9.015 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.555 -1.713 -7.880 1.00 0.35 H new ATOM 428 N LEU A 30 121.429 0.224 -6.023 1.00 0.32 N ATOM 429 CA LEU A 30 122.515 1.025 -5.392 1.00 0.32 C ATOM 430 C LEU A 30 123.847 0.743 -6.092 1.00 0.32 C ATOM 431 O LEU A 30 124.651 1.630 -6.300 1.00 0.33 O ATOM 432 CB LEU A 30 122.630 0.661 -3.907 1.00 0.32 C ATOM 433 CG LEU A 30 121.331 1.023 -3.172 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.434 0.560 -1.715 1.00 0.36 C ATOM 435 CD2 LEU A 30 121.099 2.547 -3.216 1.00 0.40 C ATOM 0 H LEU A 30 121.023 -0.499 -5.429 1.00 0.32 H new ATOM 0 HA LEU A 30 122.276 2.084 -5.489 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.832 -0.405 -3.801 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.470 1.191 -3.459 1.00 0.32 H new ATOM 0 HG LEU A 30 120.492 0.527 -3.660 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.515 0.814 -1.187 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.583 -0.519 -1.686 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.277 1.056 -1.234 1.00 0.36 H new ATOM 0 HD21 LEU A 30 120.175 2.790 -2.691 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.934 3.056 -2.735 1.00 0.40 H new ATOM 0 HD23 LEU A 30 121.024 2.874 -4.253 1.00 0.40 H new ATOM 447 N GLY A 31 124.085 -0.486 -6.453 1.00 0.33 N ATOM 448 CA GLY A 31 125.365 -0.825 -7.137 1.00 0.34 C ATOM 449 C GLY A 31 125.482 -0.049 -8.455 1.00 0.35 C ATOM 450 O GLY A 31 126.543 0.423 -8.813 1.00 0.35 O ATOM 0 H GLY A 31 123.450 -1.270 -6.305 1.00 0.33 H new ATOM 0 HA2 GLY A 31 126.207 -0.584 -6.489 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.409 -1.896 -7.332 1.00 0.34 H new ATOM 454 N LYS A 32 124.404 0.083 -9.183 1.00 0.35 N ATOM 455 CA LYS A 32 124.463 0.821 -10.479 1.00 0.37 C ATOM 456 C LYS A 32 124.785 2.295 -10.234 1.00 0.36 C ATOM 457 O LYS A 32 125.528 2.905 -10.978 1.00 0.38 O ATOM 458 CB LYS A 32 123.120 0.707 -11.200 1.00 0.39 C ATOM 459 CG LYS A 32 122.927 -0.729 -11.688 1.00 1.18 C ATOM 460 CD LYS A 32 121.583 -0.847 -12.410 1.00 1.37 C ATOM 461 CE LYS A 32 121.386 -2.283 -12.899 1.00 2.06 C ATOM 462 NZ LYS A 32 120.319 -2.310 -13.938 1.00 2.74 N ATOM 0 H LYS A 32 123.486 -0.288 -8.936 1.00 0.35 H new ATOM 0 HA LYS A 32 125.247 0.383 -11.096 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.309 0.987 -10.528 1.00 0.39 H new ATOM 0 HB3 LYS A 32 123.087 1.397 -12.043 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.739 -1.008 -12.360 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.960 -1.419 -10.844 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.772 -0.567 -11.738 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.550 -0.157 -13.254 1.00 1.37 H new ATOM 0 HE2 LYS A 32 122.319 -2.670 -13.310 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.113 -2.929 -12.064 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 120.184 -3.286 -14.272 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 119.429 -1.957 -13.531 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 120.598 -1.706 -14.738 1.00 2.74 H new ATOM 476 N LYS A 33 124.228 2.884 -9.211 1.00 0.35 N ATOM 477 CA LYS A 33 124.504 4.324 -8.953 1.00 0.36 C ATOM 478 C LYS A 33 125.968 4.484 -8.545 1.00 0.34 C ATOM 479 O LYS A 33 126.671 5.337 -9.048 1.00 0.36 O ATOM 480 CB LYS A 33 123.594 4.807 -7.823 1.00 0.36 C ATOM 481 CG LYS A 33 122.133 4.690 -8.274 1.00 0.39 C ATOM 482 CD LYS A 33 121.189 5.152 -7.151 1.00 0.64 C ATOM 483 CE LYS A 33 121.044 6.677 -7.172 1.00 0.65 C ATOM 484 NZ LYS A 33 120.519 7.105 -8.500 1.00 1.54 N ATOM 0 H LYS A 33 123.598 2.433 -8.547 1.00 0.35 H new ATOM 0 HA LYS A 33 124.313 4.913 -9.850 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.760 4.211 -6.925 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.827 5.841 -7.567 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.971 5.295 -9.166 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.910 3.658 -8.544 1.00 0.39 H new ATOM 0 HD2 LYS A 33 120.212 4.685 -7.273 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.577 4.830 -6.185 1.00 0.64 H new ATOM 0 HE2 LYS A 33 120.369 7.000 -6.380 1.00 0.65 H new ATOM 0 HE3 LYS A 33 122.008 7.148 -6.981 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 119.958 7.973 -8.388 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 121.314 7.287 -9.145 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.918 6.353 -8.894 1.00 1.54 H new ATOM 498 N LEU A 34 126.443 3.650 -7.666 1.00 0.32 N ATOM 499 CA LEU A 34 127.872 3.734 -7.266 1.00 0.31 C ATOM 500 C LEU A 34 128.721 3.497 -8.521 1.00 0.31 C ATOM 501 O LEU A 34 129.733 4.134 -8.740 1.00 0.33 O ATOM 502 CB LEU A 34 128.167 2.673 -6.195 1.00 0.29 C ATOM 503 CG LEU A 34 127.441 3.033 -4.885 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.365 1.795 -3.990 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.200 4.141 -4.131 1.00 0.34 C ATOM 0 H LEU A 34 125.904 2.915 -7.208 1.00 0.32 H new ATOM 0 HA LEU A 34 128.106 4.711 -6.843 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.842 1.692 -6.543 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.241 2.609 -6.020 1.00 0.29 H new ATOM 0 HG LEU A 34 126.440 3.387 -5.131 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.852 2.048 -3.062 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.816 1.007 -4.505 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.373 1.447 -3.764 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.671 4.381 -3.209 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.206 3.796 -3.893 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.260 5.031 -4.757 1.00 0.34 H new ATOM 517 N GLU A 35 128.294 2.582 -9.344 1.00 0.32 N ATOM 518 CA GLU A 35 129.057 2.294 -10.596 1.00 0.34 C ATOM 519 C GLU A 35 129.124 3.567 -11.448 1.00 0.37 C ATOM 520 O GLU A 35 130.147 3.891 -12.019 1.00 0.39 O ATOM 521 CB GLU A 35 128.364 1.174 -11.379 1.00 0.35 C ATOM 522 CG GLU A 35 129.169 0.853 -12.643 1.00 0.93 C ATOM 523 CD GLU A 35 128.501 -0.299 -13.395 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.598 -0.900 -12.837 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.905 -0.562 -14.516 1.00 1.36 O ATOM 0 H GLU A 35 127.453 2.021 -9.208 1.00 0.32 H new ATOM 0 HA GLU A 35 130.068 1.973 -10.344 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.275 0.283 -10.757 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.352 1.477 -11.648 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.228 1.733 -13.283 1.00 0.93 H new ATOM 0 HG3 GLU A 35 130.191 0.584 -12.377 1.00 0.93 H new ATOM 532 N GLU A 36 128.043 4.301 -11.523 1.00 0.39 N ATOM 533 CA GLU A 36 128.046 5.564 -12.319 1.00 0.43 C ATOM 534 C GLU A 36 128.953 6.581 -11.629 1.00 0.45 C ATOM 535 O GLU A 36 129.407 7.537 -12.225 1.00 0.49 O ATOM 536 CB GLU A 36 126.622 6.126 -12.405 1.00 0.45 C ATOM 537 CG GLU A 36 125.775 5.251 -13.331 1.00 1.12 C ATOM 538 CD GLU A 36 126.250 5.432 -14.775 1.00 1.39 C ATOM 539 OE1 GLU A 36 126.756 6.500 -15.080 1.00 1.86 O ATOM 540 OE2 GLU A 36 126.099 4.502 -15.549 1.00 2.00 O ATOM 0 H GLU A 36 127.158 4.079 -11.067 1.00 0.39 H new ATOM 0 HA GLU A 36 128.411 5.362 -13.326 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.174 6.160 -11.412 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.647 7.150 -12.779 1.00 0.45 H new ATOM 0 HG2 GLU A 36 125.858 4.205 -13.037 1.00 1.12 H new ATOM 0 HG3 GLU A 36 124.723 5.523 -13.246 1.00 1.12 H new ATOM 547 N ARG A 37 129.206 6.381 -10.366 1.00 0.42 N ATOM 548 CA ARG A 37 130.073 7.336 -9.615 1.00 0.45 C ATOM 549 C ARG A 37 131.533 6.874 -9.687 1.00 0.42 C ATOM 550 O ARG A 37 132.414 7.498 -9.130 1.00 0.43 O ATOM 551 CB ARG A 37 129.622 7.393 -8.150 1.00 0.45 C ATOM 552 CG ARG A 37 128.180 7.921 -8.048 1.00 0.53 C ATOM 553 CD ARG A 37 128.161 9.456 -8.096 1.00 0.86 C ATOM 554 NE ARG A 37 128.869 9.998 -6.902 1.00 1.42 N ATOM 555 CZ ARG A 37 129.245 11.248 -6.878 1.00 1.88 C ATOM 556 NH1 ARG A 37 129.010 12.022 -7.903 1.00 2.15 N ATOM 557 NH2 ARG A 37 129.857 11.725 -5.828 1.00 2.69 N ATOM 0 H ARG A 37 128.850 5.597 -9.819 1.00 0.42 H new ATOM 0 HA ARG A 37 129.988 8.328 -10.059 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.684 6.400 -7.706 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.292 8.038 -7.582 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.581 7.519 -8.865 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.725 7.575 -7.120 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.642 9.808 -9.009 1.00 0.86 H new ATOM 0 HD3 ARG A 37 127.133 9.817 -8.118 1.00 0.86 H new ATOM 0 HE ARG A 37 129.060 9.393 -6.104 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.532 11.650 -8.724 1.00 2.15 H new ATOM 0 HH12 ARG A 37 129.304 12.998 -7.883 1.00 2.15 H new ATOM 0 HH21 ARG A 37 130.041 11.121 -5.027 1.00 2.69 H new ATOM 0 HH22 ARG A 37 130.151 12.702 -5.809 1.00 2.69 H new ATOM 571 N GLY A 38 131.802 5.803 -10.396 1.00 0.40 N ATOM 572 CA GLY A 38 133.216 5.323 -10.537 1.00 0.39 C ATOM 573 C GLY A 38 133.507 4.159 -9.586 1.00 0.37 C ATOM 574 O GLY A 38 134.590 4.062 -9.044 1.00 0.48 O ATOM 0 H GLY A 38 131.105 5.240 -10.883 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.394 5.008 -11.565 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.903 6.144 -10.331 1.00 0.39 H new ATOM 578 N PHE A 39 132.569 3.265 -9.384 1.00 0.31 N ATOM 579 CA PHE A 39 132.804 2.092 -8.480 1.00 0.28 C ATOM 580 C PHE A 39 132.311 0.820 -9.173 1.00 0.28 C ATOM 581 O PHE A 39 131.290 0.269 -8.815 1.00 0.28 O ATOM 582 CB PHE A 39 132.012 2.290 -7.192 1.00 0.27 C ATOM 583 CG PHE A 39 132.619 3.410 -6.381 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.188 4.724 -6.578 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.603 3.131 -5.426 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.741 5.765 -5.823 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.158 4.170 -4.670 1.00 0.30 C ATOM 588 CZ PHE A 39 133.726 5.487 -4.868 1.00 0.32 C ATOM 0 H PHE A 39 131.643 3.297 -9.810 1.00 0.31 H new ATOM 0 HA PHE A 39 133.867 2.006 -8.255 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.973 2.521 -7.426 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.011 1.368 -6.611 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.427 4.937 -7.314 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.934 2.115 -5.272 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.408 6.781 -5.977 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.919 3.956 -3.934 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.153 6.289 -4.284 1.00 0.32 H new ATOM 598 N ASP A 40 133.007 0.354 -10.173 1.00 0.30 N ATOM 599 CA ASP A 40 132.537 -0.871 -10.883 1.00 0.31 C ATOM 600 C ASP A 40 132.918 -2.125 -10.094 1.00 0.29 C ATOM 601 O ASP A 40 132.473 -3.214 -10.402 1.00 0.30 O ATOM 602 CB ASP A 40 133.175 -0.932 -12.272 1.00 0.35 C ATOM 603 CG ASP A 40 134.697 -0.965 -12.135 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.201 -0.368 -11.198 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.334 -1.588 -12.968 1.00 0.41 O ATOM 0 H ASP A 40 133.872 0.762 -10.527 1.00 0.30 H new ATOM 0 HA ASP A 40 131.452 -0.828 -10.976 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.828 -1.818 -12.804 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.871 -0.067 -12.861 1.00 0.35 H new ATOM 610 N LYS A 41 133.747 -1.990 -9.086 1.00 0.28 N ATOM 611 CA LYS A 41 134.172 -3.183 -8.281 1.00 0.28 C ATOM 612 C LYS A 41 133.980 -2.886 -6.789 1.00 0.23 C ATOM 613 O LYS A 41 134.039 -1.752 -6.355 1.00 0.23 O ATOM 614 CB LYS A 41 135.651 -3.475 -8.565 1.00 0.34 C ATOM 615 CG LYS A 41 135.843 -3.813 -10.056 1.00 0.48 C ATOM 616 CD LYS A 41 135.448 -5.269 -10.333 1.00 0.74 C ATOM 617 CE LYS A 41 135.874 -5.646 -11.753 1.00 0.71 C ATOM 618 NZ LYS A 41 135.569 -7.083 -12.002 1.00 1.56 N ATOM 0 H LYS A 41 134.150 -1.103 -8.784 1.00 0.28 H new ATOM 0 HA LYS A 41 133.569 -4.049 -8.554 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.259 -2.611 -8.298 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.991 -4.307 -7.948 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.238 -3.143 -10.667 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.883 -3.652 -10.340 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.924 -5.931 -9.610 1.00 0.74 H new ATOM 0 HD3 LYS A 41 134.371 -5.394 -10.219 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.351 -5.022 -12.478 1.00 0.71 H new ATOM 0 HE3 LYS A 41 136.940 -5.462 -11.884 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 136.190 -7.444 -12.754 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 135.728 -7.628 -11.130 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 134.576 -7.181 -12.295 1.00 1.56 H new ATOM 632 N ALA A 42 133.730 -3.903 -6.008 1.00 0.21 N ATOM 633 CA ALA A 42 133.504 -3.704 -4.545 1.00 0.20 C ATOM 634 C ALA A 42 134.778 -3.210 -3.847 1.00 0.18 C ATOM 635 O ALA A 42 134.717 -2.388 -2.954 1.00 0.18 O ATOM 636 CB ALA A 42 133.072 -5.032 -3.922 1.00 0.21 C ATOM 0 H ALA A 42 133.672 -4.871 -6.323 1.00 0.21 H new ATOM 0 HA ALA A 42 132.728 -2.950 -4.415 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.905 -4.895 -2.854 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.150 -5.372 -4.393 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.853 -5.777 -4.075 1.00 0.21 H new ATOM 642 N TYR A 43 135.923 -3.723 -4.204 1.00 0.19 N ATOM 643 CA TYR A 43 137.168 -3.292 -3.505 1.00 0.18 C ATOM 644 C TYR A 43 137.370 -1.782 -3.668 1.00 0.17 C ATOM 645 O TYR A 43 138.109 -1.165 -2.926 1.00 0.17 O ATOM 646 CB TYR A 43 138.389 -4.061 -4.022 1.00 0.20 C ATOM 647 CG TYR A 43 138.757 -3.615 -5.411 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.612 -2.524 -5.579 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.273 -4.307 -6.525 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.984 -2.120 -6.862 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.642 -3.901 -7.811 1.00 0.28 C ATOM 652 CZ TYR A 43 139.500 -2.807 -7.981 1.00 0.28 C ATOM 653 OH TYR A 43 139.867 -2.407 -9.249 1.00 0.32 O ATOM 0 H TYR A 43 136.051 -4.415 -4.942 1.00 0.19 H new ATOM 0 HA TYR A 43 137.059 -3.519 -2.444 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.233 -3.905 -3.350 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.176 -5.130 -4.024 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.985 -1.993 -4.716 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.615 -5.153 -6.393 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.646 -1.276 -6.991 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.265 -4.431 -8.673 1.00 0.28 H new ATOM 0 HH TYR A 43 139.444 -2.992 -9.912 1.00 0.32 H new ATOM 663 N VAL A 44 136.703 -1.172 -4.609 1.00 0.18 N ATOM 664 CA VAL A 44 136.845 0.304 -4.780 1.00 0.18 C ATOM 665 C VAL A 44 135.961 0.985 -3.724 1.00 0.17 C ATOM 666 O VAL A 44 136.264 2.046 -3.211 1.00 0.18 O ATOM 667 CB VAL A 44 136.397 0.703 -6.193 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.572 2.213 -6.404 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.251 -0.048 -7.221 1.00 0.24 C ATOM 0 H VAL A 44 136.068 -1.628 -5.265 1.00 0.18 H new ATOM 0 HA VAL A 44 137.883 0.612 -4.652 1.00 0.18 H new ATOM 0 HB VAL A 44 135.345 0.447 -6.316 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.250 2.479 -7.411 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.969 2.755 -5.675 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.621 2.479 -6.277 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.938 0.231 -8.227 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.300 0.212 -7.082 1.00 0.24 H new ATOM 0 HG23 VAL A 44 137.123 -1.122 -7.086 1.00 0.24 H new ATOM 679 N VAL A 45 134.875 0.339 -3.392 1.00 0.17 N ATOM 680 CA VAL A 45 133.950 0.890 -2.361 1.00 0.17 C ATOM 681 C VAL A 45 134.558 0.605 -0.989 1.00 0.16 C ATOM 682 O VAL A 45 134.494 1.416 -0.087 1.00 0.16 O ATOM 683 CB VAL A 45 132.574 0.227 -2.472 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.710 0.634 -1.275 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.891 0.677 -3.767 1.00 0.20 C ATOM 0 H VAL A 45 134.588 -0.553 -3.794 1.00 0.17 H new ATOM 0 HA VAL A 45 133.820 1.962 -2.506 1.00 0.17 H new ATOM 0 HB VAL A 45 132.696 -0.856 -2.481 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.731 0.161 -1.355 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.193 0.313 -0.352 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.590 1.717 -1.264 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.912 0.205 -3.845 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.772 1.760 -3.758 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.503 0.387 -4.621 1.00 0.20 H new ATOM 695 N LEU A 46 135.188 -0.527 -0.841 1.00 0.17 N ATOM 696 CA LEU A 46 135.845 -0.846 0.452 1.00 0.18 C ATOM 697 C LEU A 46 136.889 0.235 0.707 1.00 0.17 C ATOM 698 O LEU A 46 137.120 0.656 1.823 1.00 0.18 O ATOM 699 CB LEU A 46 136.527 -2.216 0.354 1.00 0.22 C ATOM 700 CG LEU A 46 137.396 -2.477 1.592 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.557 -2.325 2.865 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.960 -3.898 1.516 1.00 0.35 C ATOM 0 H LEU A 46 135.275 -1.244 -1.561 1.00 0.17 H new ATOM 0 HA LEU A 46 135.118 -0.878 1.264 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.773 -2.998 0.261 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.143 -2.258 -0.545 1.00 0.22 H new ATOM 0 HG LEU A 46 138.212 -1.755 1.620 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.183 -2.512 3.738 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.155 -1.313 2.917 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.736 -3.041 2.847 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.579 -4.091 2.392 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.139 -4.614 1.486 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.565 -4.002 0.615 1.00 0.35 H new ATOM 714 N GLY A 47 137.520 0.682 -0.343 1.00 0.17 N ATOM 715 CA GLY A 47 138.556 1.736 -0.212 1.00 0.18 C ATOM 716 C GLY A 47 137.938 2.994 0.394 1.00 0.18 C ATOM 717 O GLY A 47 138.516 3.623 1.256 1.00 0.18 O ATOM 0 H GLY A 47 137.358 0.356 -1.296 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.372 1.381 0.417 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.983 1.963 -1.189 1.00 0.18 H new ATOM 721 N GLN A 48 136.756 3.364 -0.030 1.00 0.17 N ATOM 722 CA GLN A 48 136.115 4.581 0.550 1.00 0.18 C ATOM 723 C GLN A 48 135.942 4.366 2.055 1.00 0.17 C ATOM 724 O GLN A 48 136.224 5.237 2.855 1.00 0.18 O ATOM 725 CB GLN A 48 134.742 4.791 -0.099 1.00 0.19 C ATOM 726 CG GLN A 48 134.137 6.117 0.377 1.00 0.22 C ATOM 727 CD GLN A 48 134.960 7.285 -0.172 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.016 7.496 -1.366 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.603 8.059 0.657 1.00 1.09 N ATOM 0 H GLN A 48 136.212 2.881 -0.745 1.00 0.17 H new ATOM 0 HA GLN A 48 136.735 5.458 0.366 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.840 4.795 -1.185 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.078 3.965 0.158 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.103 6.198 0.041 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.121 6.151 1.466 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.556 7.882 1.660 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.153 8.841 0.302 1.00 1.09 H new ATOM 738 N PHE A 49 135.497 3.203 2.445 1.00 0.17 N ATOM 739 CA PHE A 49 135.320 2.909 3.896 1.00 0.17 C ATOM 740 C PHE A 49 136.670 3.040 4.605 1.00 0.18 C ATOM 741 O PHE A 49 136.765 3.560 5.700 1.00 0.19 O ATOM 742 CB PHE A 49 134.792 1.483 4.054 1.00 0.17 C ATOM 743 CG PHE A 49 134.651 1.158 5.517 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.483 1.504 6.203 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.691 0.504 6.187 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.355 1.198 7.562 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.563 0.197 7.544 1.00 0.31 C ATOM 748 CZ PHE A 49 134.395 0.544 8.233 1.00 0.26 C ATOM 0 H PHE A 49 135.247 2.439 1.817 1.00 0.17 H new ATOM 0 HA PHE A 49 134.612 3.611 4.335 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.829 1.383 3.554 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.473 0.777 3.578 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.680 2.007 5.684 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.592 0.237 5.655 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.454 1.466 8.093 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.365 -0.308 8.061 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.296 0.307 9.282 1.00 0.26 H new ATOM 758 N LEU A 50 137.705 2.567 3.987 1.00 0.19 N ATOM 759 CA LEU A 50 139.048 2.654 4.624 1.00 0.21 C ATOM 760 C LEU A 50 139.471 4.131 4.666 1.00 0.21 C ATOM 761 O LEU A 50 140.071 4.587 5.618 1.00 0.23 O ATOM 762 CB LEU A 50 140.048 1.821 3.807 1.00 0.23 C ATOM 763 CG LEU A 50 139.693 0.325 3.911 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.478 -0.463 2.853 1.00 0.28 C ATOM 765 CD2 LEU A 50 140.038 -0.217 5.312 1.00 0.28 C ATOM 0 H LEU A 50 137.685 2.123 3.069 1.00 0.19 H new ATOM 0 HA LEU A 50 139.022 2.261 5.640 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.030 2.136 2.764 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.060 1.990 4.174 1.00 0.23 H new ATOM 0 HG LEU A 50 138.623 0.208 3.742 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.227 -1.521 2.927 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.218 -0.097 1.860 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.547 -0.331 3.020 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.780 -1.275 5.367 1.00 0.28 H new ATOM 0 HD22 LEU A 50 141.105 -0.093 5.497 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.473 0.333 6.064 1.00 0.28 H new ATOM 777 N VAL A 51 139.169 4.874 3.637 1.00 0.21 N ATOM 778 CA VAL A 51 139.554 6.320 3.601 1.00 0.23 C ATOM 779 C VAL A 51 138.747 7.129 4.637 1.00 0.23 C ATOM 780 O VAL A 51 139.131 8.218 5.015 1.00 0.24 O ATOM 781 CB VAL A 51 139.294 6.880 2.192 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.410 8.410 2.201 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.325 6.307 1.216 1.00 0.27 C ATOM 0 H VAL A 51 138.669 4.542 2.812 1.00 0.21 H new ATOM 0 HA VAL A 51 140.612 6.406 3.846 1.00 0.23 H new ATOM 0 HB VAL A 51 138.289 6.597 1.881 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.224 8.795 1.198 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.677 8.826 2.891 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.412 8.697 2.520 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.141 6.704 0.218 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.327 6.588 1.539 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.242 5.220 1.196 1.00 0.27 H new ATOM 793 N LEU A 52 137.620 6.626 5.070 1.00 0.22 N ATOM 794 CA LEU A 52 136.776 7.391 6.049 1.00 0.23 C ATOM 795 C LEU A 52 137.164 7.064 7.495 1.00 0.23 C ATOM 796 O LEU A 52 136.449 7.401 8.418 1.00 0.24 O ATOM 797 CB LEU A 52 135.306 7.034 5.834 1.00 0.24 C ATOM 798 CG LEU A 52 134.812 7.620 4.501 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.426 7.045 4.187 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.733 9.162 4.584 1.00 0.27 C ATOM 0 H LEU A 52 137.244 5.720 4.791 1.00 0.22 H new ATOM 0 HA LEU A 52 136.940 8.455 5.881 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.183 5.951 5.833 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.705 7.422 6.656 1.00 0.24 H new ATOM 0 HG LEU A 52 135.513 7.354 3.710 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.067 7.455 3.243 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.491 5.960 4.110 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.733 7.311 4.985 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.382 9.560 3.632 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.040 9.449 5.375 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.721 9.566 4.803 1.00 0.27 H new ATOM 812 N LYS A 53 138.275 6.427 7.716 1.00 0.22 N ATOM 813 CA LYS A 53 138.676 6.108 9.117 1.00 0.23 C ATOM 814 C LYS A 53 137.510 5.446 9.860 1.00 0.24 C ATOM 815 O LYS A 53 137.313 5.674 11.036 1.00 0.30 O ATOM 816 CB LYS A 53 139.051 7.401 9.845 1.00 0.29 C ATOM 817 CG LYS A 53 140.365 7.948 9.281 1.00 0.38 C ATOM 818 CD LYS A 53 140.780 9.203 10.060 1.00 0.49 C ATOM 819 CE LYS A 53 139.769 10.334 9.825 1.00 0.90 C ATOM 820 NZ LYS A 53 140.410 11.643 10.135 1.00 1.70 N ATOM 0 H LYS A 53 138.923 6.113 6.994 1.00 0.22 H new ATOM 0 HA LYS A 53 139.527 5.428 9.094 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.258 8.139 9.727 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.154 7.212 10.914 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.145 7.190 9.351 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.247 8.187 8.224 1.00 0.38 H new ATOM 0 HD2 LYS A 53 140.841 8.975 11.124 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.773 9.523 9.745 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.426 10.321 8.791 1.00 0.90 H new ATOM 0 HE3 LYS A 53 138.891 10.188 10.454 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 139.726 12.411 9.976 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 140.717 11.653 11.129 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 141.235 11.781 9.517 1.00 1.70 H new ATOM 834 N LYS A 54 136.736 4.630 9.182 1.00 0.22 N ATOM 835 CA LYS A 54 135.582 3.934 9.832 1.00 0.25 C ATOM 836 C LYS A 54 134.598 4.959 10.403 1.00 0.27 C ATOM 837 O LYS A 54 133.788 4.635 11.248 1.00 0.33 O ATOM 838 CB LYS A 54 136.084 3.024 10.960 1.00 0.35 C ATOM 839 CG LYS A 54 137.041 1.982 10.381 1.00 0.67 C ATOM 840 CD LYS A 54 137.545 1.071 11.501 1.00 0.83 C ATOM 841 CE LYS A 54 138.502 0.030 10.918 1.00 1.41 C ATOM 842 NZ LYS A 54 139.696 0.717 10.350 1.00 2.24 N ATOM 0 H LYS A 54 136.858 4.415 8.192 1.00 0.22 H new ATOM 0 HA LYS A 54 135.073 3.330 9.080 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.591 3.616 11.722 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.242 2.531 11.447 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.534 1.391 9.618 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.882 2.476 9.894 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.053 1.661 12.264 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.705 0.576 11.988 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.808 -0.673 11.693 1.00 1.41 H new ATOM 0 HE3 LYS A 54 137.999 -0.549 10.143 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.474 0.035 10.250 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.459 1.111 9.417 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.989 1.486 10.986 1.00 2.24 H new ATOM 856 N ASP A 55 134.629 6.182 9.949 1.00 0.29 N ATOM 857 CA ASP A 55 133.654 7.175 10.487 1.00 0.39 C ATOM 858 C ASP A 55 132.250 6.771 10.018 1.00 0.37 C ATOM 859 O ASP A 55 131.901 6.915 8.864 1.00 0.37 O ATOM 860 CB ASP A 55 134.002 8.571 9.970 1.00 0.46 C ATOM 861 CG ASP A 55 135.262 9.074 10.676 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.394 8.817 11.862 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.069 9.716 10.024 1.00 1.55 O ATOM 0 H ASP A 55 135.274 6.533 9.242 1.00 0.29 H new ATOM 0 HA ASP A 55 133.691 7.192 11.576 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.162 8.542 8.892 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.173 9.255 10.151 1.00 0.46 H new ATOM 868 N GLU A 56 131.459 6.234 10.908 1.00 0.38 N ATOM 869 CA GLU A 56 130.086 5.774 10.538 1.00 0.37 C ATOM 870 C GLU A 56 129.173 6.934 10.117 1.00 0.38 C ATOM 871 O GLU A 56 128.398 6.811 9.191 1.00 0.37 O ATOM 872 CB GLU A 56 129.471 5.062 11.743 1.00 0.39 C ATOM 873 CG GLU A 56 128.154 4.403 11.335 1.00 0.41 C ATOM 874 CD GLU A 56 127.674 3.492 12.465 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.360 3.421 13.472 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.635 2.878 12.304 1.00 0.85 O ATOM 0 H GLU A 56 131.707 6.092 11.887 1.00 0.38 H new ATOM 0 HA GLU A 56 130.174 5.103 9.683 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.162 4.310 12.125 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.298 5.775 12.549 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.404 5.164 11.122 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.291 3.826 10.420 1.00 0.41 H new ATOM 883 N ASP A 57 129.240 8.053 10.786 1.00 0.40 N ATOM 884 CA ASP A 57 128.355 9.200 10.416 1.00 0.41 C ATOM 885 C ASP A 57 128.778 9.756 9.057 1.00 0.40 C ATOM 886 O ASP A 57 127.956 10.098 8.230 1.00 0.40 O ATOM 887 CB ASP A 57 128.464 10.299 11.474 1.00 0.45 C ATOM 888 CG ASP A 57 127.804 9.826 12.770 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.609 10.024 12.910 1.00 0.73 O ATOM 890 OD2 ASP A 57 128.504 9.264 13.597 1.00 0.64 O ATOM 0 H ASP A 57 129.867 8.225 11.572 1.00 0.40 H new ATOM 0 HA ASP A 57 127.323 8.854 10.361 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.511 10.542 11.654 1.00 0.45 H new ATOM 0 HB3 ASP A 57 127.982 11.210 11.119 1.00 0.45 H new ATOM 895 N LEU A 58 130.046 9.835 8.818 1.00 0.40 N ATOM 896 CA LEU A 58 130.510 10.355 7.504 1.00 0.40 C ATOM 897 C LEU A 58 130.167 9.331 6.421 1.00 0.37 C ATOM 898 O LEU A 58 129.738 9.677 5.338 1.00 0.38 O ATOM 899 CB LEU A 58 132.020 10.593 7.526 1.00 0.40 C ATOM 900 CG LEU A 58 132.371 11.673 8.561 1.00 0.47 C ATOM 901 CD1 LEU A 58 133.894 11.842 8.615 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.715 13.014 8.174 1.00 0.55 C ATOM 0 H LEU A 58 130.784 9.565 9.469 1.00 0.40 H new ATOM 0 HA LEU A 58 130.014 11.303 7.296 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.538 9.665 7.768 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.362 10.901 6.538 1.00 0.40 H new ATOM 0 HG LEU A 58 131.998 11.369 9.539 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.149 12.607 9.348 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.355 10.897 8.902 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.262 12.142 7.634 1.00 0.45 H new ATOM 0 HD21 LEU A 58 131.971 13.771 8.915 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.077 13.327 7.195 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.632 12.893 8.138 1.00 0.55 H new ATOM 914 N PHE A 59 130.319 8.068 6.717 1.00 0.36 N ATOM 915 CA PHE A 59 129.965 7.022 5.718 1.00 0.35 C ATOM 916 C PHE A 59 128.476 7.125 5.392 1.00 0.35 C ATOM 917 O PHE A 59 128.073 7.090 4.247 1.00 0.35 O ATOM 918 CB PHE A 59 130.278 5.636 6.290 1.00 0.34 C ATOM 919 CG PHE A 59 129.893 4.574 5.287 1.00 0.33 C ATOM 920 CD1 PHE A 59 130.817 4.148 4.325 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.613 4.008 5.324 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.461 3.160 3.400 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.256 3.019 4.399 1.00 0.38 C ATOM 924 CZ PHE A 59 129.181 2.595 3.437 1.00 0.36 C ATOM 0 H PHE A 59 130.673 7.717 7.607 1.00 0.36 H new ATOM 0 HA PHE A 59 130.548 7.170 4.809 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.340 5.560 6.525 1.00 0.34 H new ATOM 0 HB3 PHE A 59 129.733 5.485 7.222 1.00 0.34 H new ATOM 0 HD1 PHE A 59 131.805 4.582 4.297 1.00 0.35 H new ATOM 0 HD2 PHE A 59 127.900 4.334 6.067 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.174 2.833 2.657 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.268 2.584 4.428 1.00 0.38 H new ATOM 0 HZ PHE A 59 128.907 1.832 2.724 1.00 0.36 H new ATOM 934 N ARG A 60 127.655 7.238 6.401 1.00 0.37 N ATOM 935 CA ARG A 60 126.189 7.327 6.165 1.00 0.38 C ATOM 936 C ARG A 60 125.854 8.543 5.308 1.00 0.39 C ATOM 937 O ARG A 60 125.123 8.443 4.343 1.00 0.39 O ATOM 938 CB ARG A 60 125.454 7.450 7.504 1.00 0.42 C ATOM 939 CG ARG A 60 125.493 6.113 8.243 1.00 0.43 C ATOM 940 CD ARG A 60 124.926 6.290 9.652 1.00 0.50 C ATOM 941 NE ARG A 60 124.742 4.952 10.282 1.00 1.31 N ATOM 942 CZ ARG A 60 124.560 4.856 11.570 1.00 1.55 C ATOM 943 NH1 ARG A 60 124.569 5.928 12.312 1.00 1.16 N ATOM 944 NH2 ARG A 60 124.374 3.686 12.117 1.00 2.64 N ATOM 0 H ARG A 60 127.939 7.272 7.380 1.00 0.37 H new ATOM 0 HA ARG A 60 125.873 6.423 5.645 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.917 8.226 8.113 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.420 7.752 7.335 1.00 0.42 H new ATOM 0 HG2 ARG A 60 124.914 5.368 7.698 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.518 5.745 8.296 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.601 6.898 10.254 1.00 0.50 H new ATOM 0 HD3 ARG A 60 123.974 6.818 9.609 1.00 0.50 H new ATOM 0 HE ARG A 60 124.758 4.111 9.706 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.718 6.842 11.885 1.00 1.16 H new ATOM 0 HH12 ARG A 60 124.427 5.852 13.319 1.00 1.16 H new ATOM 0 HH21 ARG A 60 124.371 2.847 11.537 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.232 3.611 13.124 1.00 2.64 H new ATOM 958 N GLU A 61 126.375 9.695 5.633 1.00 0.41 N ATOM 959 CA GLU A 61 126.063 10.889 4.809 1.00 0.44 C ATOM 960 C GLU A 61 126.672 10.705 3.420 1.00 0.42 C ATOM 961 O GLU A 61 126.068 11.045 2.424 1.00 0.42 O ATOM 962 CB GLU A 61 126.664 12.132 5.469 1.00 0.48 C ATOM 963 CG GLU A 61 125.893 12.446 6.753 1.00 1.29 C ATOM 964 CD GLU A 61 126.559 13.618 7.475 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.549 14.118 6.964 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.068 13.998 8.525 1.00 2.32 O ATOM 0 H GLU A 61 126.996 9.857 6.426 1.00 0.41 H new ATOM 0 HA GLU A 61 124.983 11.011 4.726 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.717 11.964 5.695 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.616 12.980 4.786 1.00 0.48 H new ATOM 0 HG2 GLU A 61 124.858 12.692 6.517 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.873 11.570 7.401 1.00 1.29 H new ATOM 973 N TRP A 62 127.858 10.166 3.337 1.00 0.40 N ATOM 974 CA TRP A 62 128.488 9.964 2.000 1.00 0.38 C ATOM 975 C TRP A 62 127.659 8.998 1.154 1.00 0.36 C ATOM 976 O TRP A 62 127.345 9.267 0.013 1.00 0.36 O ATOM 977 CB TRP A 62 129.902 9.385 2.182 1.00 0.38 C ATOM 978 CG TRP A 62 130.428 8.918 0.856 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.016 9.702 -0.076 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.391 7.573 0.296 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.348 8.921 -1.171 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.983 7.600 -0.988 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.908 6.342 0.779 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.090 6.445 -1.767 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.016 5.181 -0.002 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.605 5.232 -1.272 1.00 0.32 C ATOM 0 H TRP A 62 128.416 9.858 4.133 1.00 0.40 H new ATOM 0 HA TRP A 62 128.539 10.927 1.491 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.565 10.142 2.602 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.878 8.555 2.888 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.197 10.763 0.018 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.806 9.277 -2.010 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.452 6.291 1.756 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.545 6.490 -2.746 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.642 4.242 0.379 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.684 4.335 -1.868 1.00 0.32 H new ATOM 997 N LEU A 63 127.313 7.873 1.702 1.00 0.34 N ATOM 998 CA LEU A 63 126.519 6.885 0.930 1.00 0.32 C ATOM 999 C LEU A 63 125.131 7.451 0.643 1.00 0.33 C ATOM 1000 O LEU A 63 124.644 7.403 -0.468 1.00 0.32 O ATOM 1001 CB LEU A 63 126.397 5.597 1.755 1.00 0.31 C ATOM 1002 CG LEU A 63 125.581 4.537 1.000 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.324 4.086 -0.265 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.362 3.334 1.921 1.00 0.32 C ATOM 0 H LEU A 63 127.546 7.593 2.655 1.00 0.34 H new ATOM 0 HA LEU A 63 127.013 6.670 -0.017 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.390 5.207 1.977 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.920 5.816 2.710 1.00 0.31 H new ATOM 0 HG LEU A 63 124.623 4.965 0.705 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.731 3.335 -0.787 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.482 4.943 -0.920 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.288 3.659 0.012 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.783 2.574 1.396 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.327 2.918 2.212 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.820 3.652 2.812 1.00 0.32 H new ATOM 1016 N LYS A 64 124.491 7.988 1.640 1.00 0.35 N ATOM 1017 CA LYS A 64 123.136 8.558 1.434 1.00 0.37 C ATOM 1018 C LYS A 64 123.208 9.716 0.439 1.00 0.39 C ATOM 1019 O LYS A 64 122.402 9.829 -0.463 1.00 0.39 O ATOM 1020 CB LYS A 64 122.577 9.047 2.770 1.00 0.41 C ATOM 1021 CG LYS A 64 121.147 9.552 2.569 1.00 0.43 C ATOM 1022 CD LYS A 64 120.589 10.032 3.905 1.00 0.68 C ATOM 1023 CE LYS A 64 119.160 10.536 3.707 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.678 11.174 4.964 1.00 2.11 N ATOM 0 H LYS A 64 124.850 8.057 2.592 1.00 0.35 H new ATOM 0 HA LYS A 64 122.477 7.788 1.033 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.589 8.238 3.500 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.203 9.845 3.169 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.135 10.365 1.844 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.521 8.756 2.166 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.602 9.219 4.630 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.215 10.828 4.308 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.127 11.253 2.887 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.506 9.708 3.433 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.705 11.517 4.829 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.695 10.477 5.736 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 119.296 11.974 5.206 1.00 2.11 H new ATOM 1038 N ASP A 65 124.172 10.578 0.598 1.00 0.41 N ATOM 1039 CA ASP A 65 124.308 11.731 -0.333 1.00 0.45 C ATOM 1040 C ASP A 65 124.740 11.221 -1.706 1.00 0.43 C ATOM 1041 O ASP A 65 124.416 11.797 -2.726 1.00 0.46 O ATOM 1042 CB ASP A 65 125.356 12.712 0.198 1.00 0.49 C ATOM 1043 CG ASP A 65 124.836 13.371 1.478 1.00 1.17 C ATOM 1044 OD1 ASP A 65 123.656 13.678 1.525 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.627 13.561 2.387 1.00 1.42 O ATOM 0 H ASP A 65 124.875 10.533 1.336 1.00 0.41 H new ATOM 0 HA ASP A 65 123.349 12.243 -0.413 1.00 0.45 H new ATOM 0 HB2 ASP A 65 126.291 12.188 0.400 1.00 0.49 H new ATOM 0 HB3 ASP A 65 125.572 13.472 -0.553 1.00 0.49 H new ATOM 1050 N THR A 66 125.502 10.162 -1.737 1.00 0.40 N ATOM 1051 CA THR A 66 125.997 9.630 -3.036 1.00 0.39 C ATOM 1052 C THR A 66 124.902 8.856 -3.774 1.00 0.39 C ATOM 1053 O THR A 66 124.833 8.915 -4.986 1.00 0.41 O ATOM 1054 CB THR A 66 127.194 8.709 -2.793 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.232 9.442 -2.157 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.702 8.163 -4.129 1.00 0.39 C ATOM 0 H THR A 66 125.804 9.641 -0.914 1.00 0.40 H new ATOM 0 HA THR A 66 126.296 10.476 -3.655 1.00 0.39 H new ATOM 0 HB THR A 66 126.889 7.879 -2.156 1.00 0.38 H new ATOM 0 HG1 THR A 66 127.911 9.784 -1.296 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.555 7.507 -3.953 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.907 7.601 -4.618 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.007 8.991 -4.768 1.00 0.39 H new ATOM 1064 N CYS A 67 124.066 8.101 -3.090 1.00 0.37 N ATOM 1065 CA CYS A 67 123.015 7.300 -3.804 1.00 0.38 C ATOM 1066 C CYS A 67 121.630 7.492 -3.180 1.00 0.37 C ATOM 1067 O CYS A 67 120.633 7.524 -3.875 1.00 0.40 O ATOM 1068 CB CYS A 67 123.391 5.820 -3.732 1.00 0.37 C ATOM 1069 SG CYS A 67 123.718 5.363 -2.011 1.00 0.36 S ATOM 0 H CYS A 67 124.067 8.006 -2.074 1.00 0.37 H new ATOM 0 HA CYS A 67 122.969 7.644 -4.837 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.583 5.209 -4.135 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.272 5.627 -4.344 1.00 0.37 H new ATOM 0 HG CYS A 67 124.459 6.274 -1.453 1.00 0.36 H new ATOM 1075 N GLY A 68 121.556 7.610 -1.875 1.00 0.36 N ATOM 1076 CA GLY A 68 120.232 7.791 -1.193 1.00 0.36 C ATOM 1077 C GLY A 68 119.928 6.553 -0.347 1.00 0.34 C ATOM 1078 O GLY A 68 118.799 6.320 0.040 1.00 0.34 O ATOM 0 H GLY A 68 122.361 7.589 -1.248 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.253 8.680 -0.563 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.446 7.942 -1.933 1.00 0.36 H new ATOM 1082 N ALA A 69 120.919 5.756 -0.051 1.00 0.33 N ATOM 1083 CA ALA A 69 120.673 4.539 0.773 1.00 0.32 C ATOM 1084 C ALA A 69 119.957 4.941 2.061 1.00 0.31 C ATOM 1085 O ALA A 69 120.073 6.059 2.521 1.00 0.32 O ATOM 1086 CB ALA A 69 122.009 3.872 1.113 1.00 0.32 C ATOM 0 H ALA A 69 121.886 5.895 -0.344 1.00 0.33 H new ATOM 0 HA ALA A 69 120.053 3.837 0.215 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.828 2.982 1.716 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.519 3.589 0.192 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.632 4.569 1.673 1.00 0.32 H new ATOM 1092 N ASN A 70 119.211 4.044 2.645 1.00 0.30 N ATOM 1093 CA ASN A 70 118.480 4.382 3.902 1.00 0.30 C ATOM 1094 C ASN A 70 119.351 4.037 5.110 1.00 0.30 C ATOM 1095 O ASN A 70 120.401 3.438 4.983 1.00 0.29 O ATOM 1096 CB ASN A 70 117.181 3.579 3.971 1.00 0.30 C ATOM 1097 CG ASN A 70 116.255 4.007 2.832 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.921 5.170 2.710 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.827 3.113 1.984 1.00 1.77 N ATOM 0 H ASN A 70 119.075 3.091 2.307 1.00 0.30 H new ATOM 0 HA ASN A 70 118.251 5.448 3.909 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.396 2.513 3.898 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.692 3.740 4.932 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.212 3.389 1.218 1.00 1.77 H new ATOM 0 HD22 ASN A 70 116.107 2.138 2.086 1.00 1.77 H new ATOM 1106 N ALA A 71 118.927 4.425 6.278 1.00 0.32 N ATOM 1107 CA ALA A 71 119.725 4.140 7.500 1.00 0.34 C ATOM 1108 C ALA A 71 119.911 2.631 7.682 1.00 0.32 C ATOM 1109 O ALA A 71 120.907 2.187 8.209 1.00 0.32 O ATOM 1110 CB ALA A 71 119.004 4.707 8.723 1.00 0.39 C ATOM 0 H ALA A 71 118.056 4.931 6.440 1.00 0.32 H new ATOM 0 HA ALA A 71 120.704 4.607 7.393 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.588 4.498 9.619 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.887 5.785 8.609 1.00 0.39 H new ATOM 0 HB3 ALA A 71 118.022 4.243 8.814 1.00 0.39 H new ATOM 1116 N LYS A 72 118.962 1.834 7.270 1.00 0.30 N ATOM 1117 CA LYS A 72 119.119 0.362 7.456 1.00 0.29 C ATOM 1118 C LYS A 72 120.177 -0.184 6.498 1.00 0.27 C ATOM 1119 O LYS A 72 120.972 -1.032 6.851 1.00 0.27 O ATOM 1120 CB LYS A 72 117.783 -0.341 7.200 1.00 0.29 C ATOM 1121 CG LYS A 72 117.936 -1.842 7.464 1.00 1.18 C ATOM 1122 CD LYS A 72 116.602 -2.548 7.230 1.00 1.29 C ATOM 1123 CE LYS A 72 116.785 -4.051 7.442 1.00 2.11 C ATOM 1124 NZ LYS A 72 117.742 -4.579 6.428 1.00 2.58 N ATOM 0 H LYS A 72 118.097 2.132 6.819 1.00 0.30 H new ATOM 0 HA LYS A 72 119.437 0.172 8.481 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.011 0.076 7.847 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.463 -0.173 6.172 1.00 0.29 H new ATOM 0 HG2 LYS A 72 118.699 -2.260 6.807 1.00 1.18 H new ATOM 0 HG3 LYS A 72 118.271 -2.008 8.488 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.847 -2.161 7.915 1.00 1.29 H new ATOM 0 HD3 LYS A 72 116.246 -2.352 6.219 1.00 1.29 H new ATOM 0 HE2 LYS A 72 117.159 -4.245 8.447 1.00 2.11 H new ATOM 0 HE3 LYS A 72 115.826 -4.562 7.354 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 117.574 -5.596 6.288 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 117.605 -4.078 5.527 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 118.716 -4.432 6.761 1.00 2.58 H new ATOM 1138 N GLN A 73 120.180 0.279 5.279 1.00 0.26 N ATOM 1139 CA GLN A 73 121.164 -0.226 4.286 1.00 0.25 C ATOM 1140 C GLN A 73 122.580 0.181 4.684 1.00 0.25 C ATOM 1141 O GLN A 73 123.519 -0.573 4.529 1.00 0.25 O ATOM 1142 CB GLN A 73 120.835 0.350 2.908 1.00 0.26 C ATOM 1143 CG GLN A 73 119.540 -0.278 2.387 1.00 0.29 C ATOM 1144 CD GLN A 73 119.114 0.428 1.098 1.00 1.24 C ATOM 1145 OE1 GLN A 73 119.500 1.553 0.851 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.330 -0.192 0.257 1.00 1.88 N ATOM 0 H GLN A 73 119.538 0.990 4.928 1.00 0.26 H new ATOM 0 HA GLN A 73 121.108 -1.314 4.255 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.727 1.433 2.971 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.652 0.151 2.215 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.688 -1.342 2.200 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.754 -0.193 3.138 1.00 0.29 H new ATOM 0 HE21 GLN A 73 118.006 -1.137 0.464 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.042 0.269 -0.606 1.00 1.88 H new ATOM 1155 N SER A 74 122.741 1.372 5.183 1.00 0.26 N ATOM 1156 CA SER A 74 124.097 1.833 5.578 1.00 0.27 C ATOM 1157 C SER A 74 124.614 1.005 6.756 1.00 0.26 C ATOM 1158 O SER A 74 125.781 0.673 6.820 1.00 0.26 O ATOM 1159 CB SER A 74 124.042 3.303 5.975 1.00 0.30 C ATOM 1160 OG SER A 74 123.552 4.066 4.880 1.00 1.36 O ATOM 0 H SER A 74 121.991 2.047 5.334 1.00 0.26 H new ATOM 0 HA SER A 74 124.773 1.708 4.732 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.395 3.434 6.843 1.00 0.30 H new ATOM 0 HB3 SER A 74 125.034 3.652 6.261 1.00 0.30 H new ATOM 0 HG SER A 74 122.579 3.963 4.819 1.00 1.36 H new ATOM 1166 N ARG A 75 123.766 0.662 7.694 1.00 0.27 N ATOM 1167 CA ARG A 75 124.235 -0.143 8.854 1.00 0.28 C ATOM 1168 C ARG A 75 124.796 -1.471 8.355 1.00 0.26 C ATOM 1169 O ARG A 75 125.771 -1.970 8.883 1.00 0.27 O ATOM 1170 CB ARG A 75 123.075 -0.391 9.824 1.00 0.30 C ATOM 1171 CG ARG A 75 122.718 0.918 10.533 1.00 0.33 C ATOM 1172 CD ARG A 75 121.476 0.706 11.402 1.00 0.61 C ATOM 1173 NE ARG A 75 121.748 -0.363 12.402 1.00 1.34 N ATOM 1174 CZ ARG A 75 120.948 -0.527 13.419 1.00 1.81 C ATOM 1175 NH1 ARG A 75 119.913 0.255 13.569 1.00 1.88 N ATOM 1176 NH2 ARG A 75 121.181 -1.473 14.288 1.00 2.80 N ATOM 0 H ARG A 75 122.775 0.905 7.703 1.00 0.27 H new ATOM 0 HA ARG A 75 125.018 0.403 9.380 1.00 0.28 H new ATOM 0 HB2 ARG A 75 122.209 -0.773 9.283 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.354 -1.150 10.555 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.554 1.250 11.149 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.532 1.702 9.799 1.00 0.33 H new ATOM 0 HD2 ARG A 75 121.210 1.634 11.909 1.00 0.61 H new ATOM 0 HD3 ARG A 75 120.626 0.428 10.779 1.00 0.61 H new ATOM 0 HE ARG A 75 122.562 -0.968 12.292 1.00 1.34 H new ATOM 0 HH11 ARG A 75 119.730 0.994 12.891 1.00 1.88 H new ATOM 0 HH12 ARG A 75 119.288 0.126 14.364 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.989 -2.084 14.172 1.00 2.80 H new ATOM 0 HH22 ARG A 75 120.555 -1.601 15.083 1.00 2.80 H new ATOM 1190 N ASP A 76 124.196 -2.070 7.361 1.00 0.25 N ATOM 1191 CA ASP A 76 124.699 -3.376 6.858 1.00 0.24 C ATOM 1192 C ASP A 76 126.060 -3.202 6.188 1.00 0.23 C ATOM 1193 O ASP A 76 126.941 -4.019 6.354 1.00 0.23 O ATOM 1194 CB ASP A 76 123.705 -3.945 5.841 1.00 0.24 C ATOM 1195 CG ASP A 76 122.428 -4.386 6.561 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.545 -4.993 7.613 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.356 -4.112 6.047 1.00 0.39 O ATOM 0 H ASP A 76 123.376 -1.707 6.875 1.00 0.25 H new ATOM 0 HA ASP A 76 124.805 -4.060 7.700 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.469 -3.193 5.088 1.00 0.24 H new ATOM 0 HB3 ASP A 76 124.150 -4.791 5.317 1.00 0.24 H new ATOM 1202 N CYS A 77 126.259 -2.151 5.442 1.00 0.22 N ATOM 1203 CA CYS A 77 127.582 -1.963 4.788 1.00 0.22 C ATOM 1204 C CYS A 77 128.641 -1.639 5.845 1.00 0.22 C ATOM 1205 O CYS A 77 129.760 -2.101 5.769 1.00 0.21 O ATOM 1206 CB CYS A 77 127.493 -0.812 3.787 1.00 0.23 C ATOM 1207 SG CYS A 77 126.475 -1.318 2.378 1.00 0.24 S ATOM 0 H CYS A 77 125.570 -1.422 5.259 1.00 0.22 H new ATOM 0 HA CYS A 77 127.862 -2.880 4.269 1.00 0.22 H new ATOM 0 HB2 CYS A 77 127.061 0.067 4.265 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.490 -0.533 3.447 1.00 0.23 H new ATOM 0 HG CYS A 77 126.329 -2.610 2.390 1.00 0.24 H new ATOM 1213 N PHE A 78 128.318 -0.842 6.822 1.00 0.23 N ATOM 1214 CA PHE A 78 129.342 -0.501 7.844 1.00 0.25 C ATOM 1215 C PHE A 78 129.851 -1.778 8.513 1.00 0.24 C ATOM 1216 O PHE A 78 131.025 -2.090 8.468 1.00 0.23 O ATOM 1217 CB PHE A 78 128.708 0.419 8.891 1.00 0.29 C ATOM 1218 CG PHE A 78 129.715 0.763 9.960 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.534 1.890 9.817 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.823 -0.041 11.100 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.460 2.212 10.815 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.750 0.281 12.098 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.569 1.408 11.956 1.00 0.43 C ATOM 0 H PHE A 78 127.401 -0.416 6.957 1.00 0.23 H new ATOM 0 HA PHE A 78 130.183 0.006 7.370 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.347 1.330 8.414 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.843 -0.070 9.340 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.451 2.510 8.937 1.00 0.36 H new ATOM 0 HD2 PHE A 78 129.191 -0.910 11.210 1.00 0.38 H new ATOM 0 HE1 PHE A 78 132.091 3.081 10.705 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.834 -0.340 12.978 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.284 1.657 12.726 1.00 0.43 H new ATOM 1233 N GLY A 79 128.980 -2.513 9.145 1.00 0.25 N ATOM 1234 CA GLY A 79 129.409 -3.764 9.832 1.00 0.26 C ATOM 1235 C GLY A 79 129.923 -4.794 8.819 1.00 0.24 C ATOM 1236 O GLY A 79 130.806 -5.572 9.112 1.00 0.24 O ATOM 0 H GLY A 79 127.985 -2.301 9.216 1.00 0.25 H new ATOM 0 HA2 GLY A 79 130.192 -3.537 10.555 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.572 -4.183 10.390 1.00 0.26 H new ATOM 1240 N CYS A 80 129.383 -4.813 7.635 1.00 0.22 N ATOM 1241 CA CYS A 80 129.859 -5.809 6.630 1.00 0.22 C ATOM 1242 C CYS A 80 131.259 -5.436 6.147 1.00 0.22 C ATOM 1243 O CYS A 80 132.160 -6.251 6.140 1.00 0.23 O ATOM 1244 CB CYS A 80 128.897 -5.846 5.443 1.00 0.22 C ATOM 1245 SG CYS A 80 129.418 -7.138 4.286 1.00 0.25 S ATOM 0 H CYS A 80 128.640 -4.190 7.318 1.00 0.22 H new ATOM 0 HA CYS A 80 129.894 -6.794 7.096 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.882 -6.041 5.789 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.883 -4.878 4.942 1.00 0.22 H new ATOM 0 HG CYS A 80 128.954 -8.287 4.681 1.00 0.25 H new ATOM 1251 N LEU A 81 131.462 -4.209 5.767 1.00 0.21 N ATOM 1252 CA LEU A 81 132.822 -3.806 5.319 1.00 0.21 C ATOM 1253 C LEU A 81 133.757 -3.790 6.535 1.00 0.22 C ATOM 1254 O LEU A 81 134.901 -4.195 6.455 1.00 0.22 O ATOM 1255 CB LEU A 81 132.763 -2.409 4.697 1.00 0.22 C ATOM 1256 CG LEU A 81 131.816 -2.407 3.487 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.762 -0.993 2.900 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.313 -3.394 2.415 1.00 0.28 C ATOM 0 H LEU A 81 130.755 -3.474 5.746 1.00 0.21 H new ATOM 0 HA LEU A 81 133.193 -4.511 4.576 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.420 -1.687 5.438 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.761 -2.098 4.388 1.00 0.22 H new ATOM 0 HG LEU A 81 130.821 -2.716 3.808 1.00 0.24 H new ATOM 0 HD11 LEU A 81 131.092 -0.981 2.040 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.394 -0.299 3.656 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.761 -0.691 2.586 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.631 -3.381 1.564 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.310 -3.102 2.086 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.350 -4.399 2.835 1.00 0.28 H new ATOM 1270 N ARG A 82 133.281 -3.321 7.656 1.00 0.22 N ATOM 1271 CA ARG A 82 134.151 -3.273 8.868 1.00 0.24 C ATOM 1272 C ARG A 82 134.527 -4.693 9.301 1.00 0.25 C ATOM 1273 O ARG A 82 135.644 -4.950 9.705 1.00 0.26 O ATOM 1274 CB ARG A 82 133.433 -2.566 10.020 1.00 0.28 C ATOM 1275 CG ARG A 82 134.442 -2.310 11.146 1.00 0.33 C ATOM 1276 CD ARG A 82 133.739 -1.668 12.345 1.00 0.84 C ATOM 1277 NE ARG A 82 134.745 -0.971 13.215 1.00 1.41 N ATOM 1278 CZ ARG A 82 135.814 -1.582 13.661 1.00 1.95 C ATOM 1279 NH1 ARG A 82 135.944 -2.874 13.532 1.00 2.25 N ATOM 1280 NH2 ARG A 82 136.729 -0.901 14.295 1.00 2.73 N ATOM 0 H ARG A 82 132.332 -2.970 7.786 1.00 0.22 H new ATOM 0 HA ARG A 82 135.054 -2.716 8.618 1.00 0.24 H new ATOM 0 HB2 ARG A 82 133.003 -1.625 9.677 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.608 -3.179 10.384 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.909 -3.248 11.447 1.00 0.33 H new ATOM 0 HG3 ARG A 82 135.239 -1.658 10.789 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.989 -0.956 12.000 1.00 0.84 H new ATOM 0 HD3 ARG A 82 133.214 -2.430 12.921 1.00 0.84 H new ATOM 0 HE ARG A 82 134.591 0.006 13.466 1.00 1.41 H new ATOM 0 HH11 ARG A 82 135.209 -3.418 13.080 1.00 2.25 H new ATOM 0 HH12 ARG A 82 136.781 -3.340 13.883 1.00 2.25 H new ATOM 0 HH21 ARG A 82 136.609 0.101 14.441 1.00 2.73 H new ATOM 0 HH22 ARG A 82 137.564 -1.371 14.645 1.00 2.73 H new ATOM 1294 N GLU A 83 133.606 -5.616 9.231 1.00 0.25 N ATOM 1295 CA GLU A 83 133.916 -7.013 9.653 1.00 0.28 C ATOM 1296 C GLU A 83 134.895 -7.660 8.672 1.00 0.27 C ATOM 1297 O GLU A 83 135.804 -8.355 9.080 1.00 0.29 O ATOM 1298 CB GLU A 83 132.625 -7.842 9.725 1.00 0.30 C ATOM 1299 CG GLU A 83 131.870 -7.510 11.016 1.00 0.33 C ATOM 1300 CD GLU A 83 130.535 -8.254 11.033 1.00 1.19 C ATOM 1301 OE1 GLU A 83 130.528 -9.409 11.425 1.00 1.91 O ATOM 1302 OE2 GLU A 83 129.542 -7.657 10.655 1.00 1.56 O ATOM 0 H GLU A 83 132.653 -5.464 8.900 1.00 0.25 H new ATOM 0 HA GLU A 83 134.376 -6.983 10.641 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.997 -7.630 8.860 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.862 -8.905 9.694 1.00 0.30 H new ATOM 0 HG2 GLU A 83 132.467 -7.794 11.882 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.700 -6.435 11.084 1.00 0.33 H new ATOM 1309 N TRP A 84 134.760 -7.431 7.391 1.00 0.25 N ATOM 1310 CA TRP A 84 135.732 -8.035 6.443 1.00 0.25 C ATOM 1311 C TRP A 84 137.121 -7.512 6.807 1.00 0.27 C ATOM 1312 O TRP A 84 138.090 -8.244 6.839 1.00 0.28 O ATOM 1313 CB TRP A 84 135.388 -7.628 5.009 1.00 0.25 C ATOM 1314 CG TRP A 84 136.366 -8.258 4.070 1.00 0.27 C ATOM 1315 CD1 TRP A 84 136.205 -9.467 3.483 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.654 -7.752 3.612 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.307 -9.732 2.691 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.229 -8.707 2.738 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.372 -6.569 3.866 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.470 -8.497 2.139 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.623 -6.354 3.264 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.170 -7.316 2.403 1.00 0.37 C ATOM 0 H TRP A 84 134.028 -6.860 6.969 1.00 0.25 H new ATOM 0 HA TRP A 84 135.700 -9.123 6.509 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.374 -7.943 4.762 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.417 -6.543 4.909 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.354 -10.119 3.612 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.424 -10.582 2.139 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.959 -5.822 4.528 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.887 -9.241 1.476 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.166 -5.443 3.466 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.132 -7.145 1.944 1.00 0.37 H new ATOM 1333 N CYS A 85 137.215 -6.236 7.075 1.00 0.27 N ATOM 1334 CA CYS A 85 138.530 -5.640 7.433 1.00 0.30 C ATOM 1335 C CYS A 85 139.058 -6.288 8.713 1.00 0.33 C ATOM 1336 O CYS A 85 140.232 -6.567 8.844 1.00 0.36 O ATOM 1337 CB CYS A 85 138.355 -4.138 7.663 1.00 0.33 C ATOM 1338 SG CYS A 85 138.141 -3.304 6.073 1.00 0.33 S ATOM 0 H CYS A 85 136.433 -5.581 7.061 1.00 0.27 H new ATOM 0 HA CYS A 85 139.239 -5.811 6.623 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.490 -3.956 8.301 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.224 -3.735 8.183 1.00 0.33 H new ATOM 0 HG CYS A 85 136.898 -3.388 5.703 1.00 0.33 H new ATOM 1344 N ASP A 86 138.195 -6.532 9.655 1.00 0.34 N ATOM 1345 CA ASP A 86 138.636 -7.164 10.926 1.00 0.39 C ATOM 1346 C ASP A 86 139.250 -8.530 10.620 1.00 0.41 C ATOM 1347 O ASP A 86 140.144 -8.988 11.304 1.00 0.43 O ATOM 1348 CB ASP A 86 137.435 -7.332 11.860 1.00 0.41 C ATOM 1349 CG ASP A 86 136.984 -5.960 12.365 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.845 -5.170 12.721 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.789 -5.720 12.386 1.00 0.51 O ATOM 0 H ASP A 86 137.199 -6.320 9.599 1.00 0.34 H new ATOM 0 HA ASP A 86 139.379 -6.532 11.413 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.617 -7.824 11.333 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.702 -7.971 12.702 1.00 0.41 H new ATOM 1356 N ALA A 87 138.767 -9.189 9.601 1.00 0.41 N ATOM 1357 CA ALA A 87 139.307 -10.535 9.251 1.00 0.43 C ATOM 1358 C ALA A 87 140.424 -10.415 8.206 1.00 0.43 C ATOM 1359 O ALA A 87 141.352 -11.198 8.196 1.00 0.48 O ATOM 1360 CB ALA A 87 138.178 -11.394 8.682 1.00 0.41 C ATOM 0 H ALA A 87 138.020 -8.852 8.994 1.00 0.41 H new ATOM 0 HA ALA A 87 139.716 -10.995 10.151 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.565 -12.380 8.424 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.389 -11.498 9.427 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.773 -10.918 7.789 1.00 0.41 H new ATOM 1366 N PHE A 88 140.317 -9.471 7.296 1.00 0.40 N ATOM 1367 CA PHE A 88 141.349 -9.340 6.208 1.00 0.44 C ATOM 1368 C PHE A 88 142.259 -8.117 6.394 1.00 0.54 C ATOM 1369 O PHE A 88 143.210 -7.952 5.657 1.00 1.24 O ATOM 1370 CB PHE A 88 140.635 -9.214 4.859 1.00 0.41 C ATOM 1371 CG PHE A 88 139.997 -10.535 4.494 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.756 -11.519 3.849 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.651 -10.776 4.797 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.172 -12.742 3.508 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.066 -12.001 4.453 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.827 -12.984 3.808 1.00 0.45 C ATOM 0 H PHE A 88 139.562 -8.786 7.258 1.00 0.40 H new ATOM 0 HA PHE A 88 141.977 -10.230 6.250 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.875 -8.434 4.910 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.345 -8.917 4.087 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.794 -11.333 3.615 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.065 -10.018 5.295 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.759 -13.501 3.013 1.00 0.47 H new ATOM 0 HE2 PHE A 88 137.028 -12.188 4.685 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.376 -13.929 3.542 1.00 0.45 H new ATOM 1454 N SER B 4 163.410 -2.000 2.080 1.00 0.63 N ATOM 1455 CA SER B 4 163.875 -2.460 3.420 1.00 0.62 C ATOM 1456 C SER B 4 163.019 -3.636 3.898 1.00 0.60 C ATOM 1457 O SER B 4 162.012 -3.975 3.310 1.00 0.58 O ATOM 1458 CB SER B 4 163.753 -1.309 4.417 1.00 0.63 C ATOM 1459 OG SER B 4 162.379 -0.989 4.598 1.00 1.50 O ATOM 0 HA SER B 4 164.914 -2.781 3.348 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.202 -1.589 5.370 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.297 -0.437 4.052 1.00 0.63 H new ATOM 0 HG SER B 4 161.882 -1.208 3.782 1.00 1.50 H new ATOM 1465 N GLN B 5 163.438 -4.265 4.964 1.00 0.63 N ATOM 1466 CA GLN B 5 162.692 -5.433 5.511 1.00 0.64 C ATOM 1467 C GLN B 5 161.235 -5.049 5.771 1.00 0.60 C ATOM 1468 O GLN B 5 160.374 -5.899 5.887 1.00 0.60 O ATOM 1469 CB GLN B 5 163.334 -5.873 6.829 1.00 0.71 C ATOM 1470 CG GLN B 5 164.739 -6.418 6.562 1.00 1.34 C ATOM 1471 CD GLN B 5 165.428 -6.720 7.895 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.075 -6.161 8.914 1.00 2.09 O ATOM 1473 NE2 GLN B 5 166.404 -7.587 7.932 1.00 2.18 N ATOM 0 H GLN B 5 164.278 -4.014 5.485 1.00 0.63 H new ATOM 0 HA GLN B 5 162.728 -6.248 4.788 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.385 -5.031 7.519 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.721 -6.638 7.306 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.681 -7.323 5.957 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.321 -5.692 5.995 1.00 1.34 H new ATOM 0 HE21 GLN B 5 166.701 -8.057 7.077 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.869 -7.794 8.816 1.00 2.18 H new ATOM 1482 N LYS B 6 160.945 -3.778 5.871 1.00 0.59 N ATOM 1483 CA LYS B 6 159.542 -3.352 6.129 1.00 0.57 C ATOM 1484 C LYS B 6 158.644 -3.850 4.995 1.00 0.51 C ATOM 1485 O LYS B 6 157.517 -4.248 5.212 1.00 0.50 O ATOM 1486 CB LYS B 6 159.469 -1.823 6.182 1.00 0.58 C ATOM 1487 CG LYS B 6 160.161 -1.308 7.445 1.00 0.66 C ATOM 1488 CD LYS B 6 160.077 0.220 7.479 1.00 0.80 C ATOM 1489 CE LYS B 6 160.767 0.747 8.738 1.00 1.25 C ATOM 1490 NZ LYS B 6 160.426 2.186 8.925 1.00 2.01 N ATOM 0 H LYS B 6 161.620 -3.018 5.785 1.00 0.59 H new ATOM 0 HA LYS B 6 159.210 -3.770 7.079 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.944 -1.397 5.298 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.428 -1.500 6.171 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.687 -1.730 8.331 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.203 -1.627 7.459 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.550 0.640 6.591 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.034 0.537 7.465 1.00 0.80 H new ATOM 0 HE2 LYS B 6 160.450 0.171 9.608 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.847 0.626 8.652 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.895 2.545 9.781 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.749 2.729 8.099 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.396 2.288 9.025 1.00 2.01 H new ATOM 1504 N HIS B 7 159.125 -3.817 3.784 1.00 0.49 N ATOM 1505 CA HIS B 7 158.287 -4.269 2.638 1.00 0.45 C ATOM 1506 C HIS B 7 157.859 -5.726 2.831 1.00 0.45 C ATOM 1507 O HIS B 7 156.697 -6.059 2.706 1.00 0.43 O ATOM 1508 CB HIS B 7 159.096 -4.129 1.339 1.00 0.45 C ATOM 1509 CG HIS B 7 158.401 -4.835 0.202 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.405 -4.235 -0.557 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.555 -6.099 -0.316 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.005 -5.132 -1.481 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.675 -6.278 -1.374 1.00 0.42 N ATOM 0 H HIS B 7 160.062 -3.497 3.538 1.00 0.49 H new ATOM 0 HA HIS B 7 157.390 -3.652 2.583 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.223 -3.074 1.096 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.093 -4.547 1.478 1.00 0.45 H new ATOM 0 HD2 HIS B 7 159.254 -6.839 0.045 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.237 -4.944 -2.216 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.564 -7.113 -1.949 1.00 0.42 H new ATOM 1521 N ARG B 8 158.784 -6.603 3.125 1.00 0.48 N ATOM 1522 CA ARG B 8 158.433 -8.036 3.315 1.00 0.50 C ATOM 1523 C ARG B 8 157.634 -8.207 4.606 1.00 0.51 C ATOM 1524 O ARG B 8 156.763 -9.045 4.703 1.00 0.51 O ATOM 1525 CB ARG B 8 159.726 -8.854 3.404 1.00 0.55 C ATOM 1526 CG ARG B 8 160.542 -8.694 2.113 1.00 0.57 C ATOM 1527 CD ARG B 8 159.944 -9.544 0.985 1.00 1.00 C ATOM 1528 NE ARG B 8 160.879 -9.550 -0.175 1.00 1.70 N ATOM 1529 CZ ARG B 8 160.742 -10.440 -1.119 1.00 2.29 C ATOM 1530 NH1 ARG B 8 159.796 -11.337 -1.040 1.00 2.43 N ATOM 1531 NH2 ARG B 8 161.552 -10.435 -2.141 1.00 3.23 N ATOM 0 H ARG B 8 159.773 -6.383 3.242 1.00 0.48 H new ATOM 0 HA ARG B 8 157.830 -8.380 2.475 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.316 -8.524 4.259 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.490 -9.906 3.566 1.00 0.55 H new ATOM 0 HG2 ARG B 8 160.559 -7.646 1.815 1.00 0.57 H new ATOM 0 HG3 ARG B 8 161.575 -8.992 2.291 1.00 0.57 H new ATOM 0 HD2 ARG B 8 159.772 -10.562 1.333 1.00 1.00 H new ATOM 0 HD3 ARG B 8 158.976 -9.142 0.685 1.00 1.00 H new ATOM 0 HE ARG B 8 161.626 -8.858 -0.231 1.00 1.70 H new ATOM 0 HH11 ARG B 8 159.164 -11.342 -0.240 1.00 2.43 H new ATOM 0 HH12 ARG B 8 159.690 -12.032 -1.779 1.00 2.43 H new ATOM 0 HH21 ARG B 8 162.292 -9.736 -2.202 1.00 3.23 H new ATOM 0 HH22 ARG B 8 161.446 -11.130 -2.879 1.00 3.23 H new ATOM 1545 N ASP B 9 157.928 -7.420 5.594 1.00 0.52 N ATOM 1546 CA ASP B 9 157.192 -7.542 6.881 1.00 0.54 C ATOM 1547 C ASP B 9 155.732 -7.124 6.685 1.00 0.49 C ATOM 1548 O ASP B 9 154.827 -7.718 7.236 1.00 0.48 O ATOM 1549 CB ASP B 9 157.839 -6.637 7.929 1.00 0.61 C ATOM 1550 CG ASP B 9 159.206 -7.201 8.319 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.413 -8.387 8.121 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.023 -6.438 8.808 1.00 0.76 O ATOM 0 H ASP B 9 158.646 -6.696 5.570 1.00 0.52 H new ATOM 0 HA ASP B 9 157.231 -8.578 7.217 1.00 0.54 H new ATOM 0 HB2 ASP B 9 157.950 -5.627 7.534 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.199 -6.566 8.808 1.00 0.61 H new ATOM 1557 N PHE B 10 155.499 -6.096 5.921 1.00 0.46 N ATOM 1558 CA PHE B 10 154.098 -5.628 5.714 1.00 0.43 C ATOM 1559 C PHE B 10 153.287 -6.691 4.952 1.00 0.37 C ATOM 1560 O PHE B 10 152.177 -7.017 5.322 1.00 0.36 O ATOM 1561 CB PHE B 10 154.131 -4.324 4.913 1.00 0.45 C ATOM 1562 CG PHE B 10 152.761 -3.688 4.899 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.404 -2.795 5.916 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.857 -3.976 3.870 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.142 -2.190 5.906 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.592 -3.369 3.862 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.237 -2.477 4.880 1.00 0.43 C ATOM 0 H PHE B 10 156.215 -5.559 5.431 1.00 0.46 H new ATOM 0 HA PHE B 10 153.622 -5.460 6.680 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.855 -3.637 5.352 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.458 -4.523 3.893 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.103 -2.573 6.709 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.132 -4.664 3.084 1.00 0.43 H new ATOM 0 HE1 PHE B 10 150.867 -1.501 6.691 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.892 -3.590 3.070 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.263 -2.010 4.873 1.00 0.43 H new ATOM 1577 N VAL B 11 153.827 -7.221 3.885 1.00 0.37 N ATOM 1578 CA VAL B 11 153.084 -8.251 3.089 1.00 0.35 C ATOM 1579 C VAL B 11 153.304 -9.655 3.669 1.00 0.36 C ATOM 1580 O VAL B 11 152.846 -10.636 3.116 1.00 0.37 O ATOM 1581 CB VAL B 11 153.593 -8.223 1.647 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.407 -6.818 1.067 1.00 0.44 C ATOM 1583 CG2 VAL B 11 155.079 -8.595 1.633 1.00 0.40 C ATOM 0 H VAL B 11 154.753 -6.986 3.528 1.00 0.37 H new ATOM 0 HA VAL B 11 152.019 -8.022 3.126 1.00 0.35 H new ATOM 0 HB VAL B 11 153.032 -8.937 1.044 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.770 -6.798 0.039 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.349 -6.554 1.084 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.969 -6.100 1.664 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.449 -8.577 0.608 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.639 -7.878 2.233 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.208 -9.595 2.048 1.00 0.40 H new ATOM 1593 N ALA B 12 153.981 -9.763 4.784 1.00 0.41 N ATOM 1594 CA ALA B 12 154.211 -11.108 5.410 1.00 0.47 C ATOM 1595 C ALA B 12 153.228 -11.321 6.564 1.00 0.45 C ATOM 1596 O ALA B 12 153.043 -12.424 7.038 1.00 0.48 O ATOM 1597 CB ALA B 12 155.641 -11.192 5.944 1.00 0.53 C ATOM 0 H ALA B 12 154.387 -8.977 5.292 1.00 0.41 H new ATOM 0 HA ALA B 12 154.057 -11.880 4.656 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.803 -12.170 6.397 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.345 -11.051 5.124 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.796 -10.415 6.692 1.00 0.53 H new ATOM 1603 N GLU B 13 152.597 -10.274 7.019 1.00 0.42 N ATOM 1604 CA GLU B 13 151.624 -10.410 8.141 1.00 0.43 C ATOM 1605 C GLU B 13 150.596 -9.275 8.038 1.00 0.39 C ATOM 1606 O GLU B 13 150.897 -8.225 7.508 1.00 0.36 O ATOM 1607 CB GLU B 13 152.375 -10.313 9.474 1.00 0.46 C ATOM 1608 CG GLU B 13 153.418 -9.193 9.397 1.00 0.48 C ATOM 1609 CD GLU B 13 153.876 -8.820 10.810 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.922 -9.704 11.649 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.172 -7.657 11.026 1.00 1.04 O ATOM 0 H GLU B 13 152.713 -9.326 6.661 1.00 0.42 H new ATOM 0 HA GLU B 13 151.115 -11.372 8.087 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.673 -10.115 10.284 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.862 -11.262 9.698 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.271 -9.517 8.801 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.994 -8.321 8.899 1.00 0.48 H new ATOM 1618 N PRO B 14 149.398 -9.467 8.542 1.00 0.42 N ATOM 1619 CA PRO B 14 148.340 -8.420 8.502 1.00 0.40 C ATOM 1620 C PRO B 14 148.919 -7.011 8.680 1.00 0.36 C ATOM 1621 O PRO B 14 149.995 -6.835 9.218 1.00 0.36 O ATOM 1622 CB PRO B 14 147.444 -8.801 9.680 1.00 0.45 C ATOM 1623 CG PRO B 14 147.522 -10.299 9.748 1.00 0.49 C ATOM 1624 CD PRO B 14 148.910 -10.694 9.203 1.00 0.48 C ATOM 0 HA PRO B 14 147.816 -8.385 7.547 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.792 -8.344 10.606 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.419 -8.464 9.523 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.395 -10.647 10.773 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.729 -10.755 9.156 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.579 -11.008 10.004 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.841 -11.525 8.501 1.00 0.48 H new ATOM 1632 N MET B 15 148.219 -6.012 8.220 1.00 0.35 N ATOM 1633 CA MET B 15 148.729 -4.610 8.344 1.00 0.34 C ATOM 1634 C MET B 15 148.183 -3.967 9.624 1.00 0.35 C ATOM 1635 O MET B 15 148.832 -3.151 10.247 1.00 0.37 O ATOM 1636 CB MET B 15 148.291 -3.795 7.120 1.00 0.36 C ATOM 1637 CG MET B 15 146.775 -3.905 6.914 1.00 0.40 C ATOM 1638 SD MET B 15 146.363 -3.369 5.235 1.00 0.56 S ATOM 1639 CE MET B 15 146.208 -1.605 5.593 1.00 0.42 C ATOM 0 H MET B 15 147.312 -6.102 7.761 1.00 0.35 H new ATOM 0 HA MET B 15 149.818 -4.626 8.395 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.571 -2.750 7.253 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.811 -4.154 6.232 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.448 -4.933 7.071 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.251 -3.289 7.644 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.709 -1.030 4.814 1.00 0.42 H new ATOM 0 HE2 MET B 15 145.153 -1.331 5.624 1.00 0.42 H new ATOM 0 HE3 MET B 15 146.668 -1.388 6.557 1.00 0.42 H new ATOM 1649 N GLY B 16 147.003 -4.346 10.026 1.00 0.36 N ATOM 1650 CA GLY B 16 146.415 -3.778 11.274 1.00 0.39 C ATOM 1651 C GLY B 16 146.423 -2.247 11.224 1.00 0.38 C ATOM 1652 O GLY B 16 146.017 -1.645 10.251 1.00 0.37 O ATOM 0 H GLY B 16 146.417 -5.027 9.543 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.394 -4.138 11.398 1.00 0.39 H new ATOM 0 HA3 GLY B 16 146.982 -4.122 12.139 1.00 0.39 H new ATOM 1656 N GLU B 17 146.852 -1.616 12.293 1.00 0.40 N ATOM 1657 CA GLU B 17 146.859 -0.117 12.360 1.00 0.41 C ATOM 1658 C GLU B 17 148.293 0.425 12.353 1.00 0.38 C ATOM 1659 O GLU B 17 148.588 1.408 13.005 1.00 0.39 O ATOM 1660 CB GLU B 17 146.172 0.322 13.654 1.00 0.46 C ATOM 1661 CG GLU B 17 144.718 -0.155 13.647 1.00 0.50 C ATOM 1662 CD GLU B 17 144.032 0.284 14.941 1.00 0.55 C ATOM 1663 OE1 GLU B 17 143.521 1.391 14.972 1.00 0.73 O ATOM 1664 OE2 GLU B 17 144.026 -0.497 15.880 1.00 0.84 O ATOM 0 H GLU B 17 147.201 -2.081 13.131 1.00 0.40 H new ATOM 0 HA GLU B 17 146.333 0.275 11.489 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.697 -0.091 14.515 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.209 1.407 13.748 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.193 0.258 12.786 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.680 -1.240 13.553 1.00 0.50 H new ATOM 1671 N LYS B 18 149.190 -0.193 11.635 1.00 0.36 N ATOM 1672 CA LYS B 18 150.592 0.316 11.619 1.00 0.35 C ATOM 1673 C LYS B 18 150.571 1.771 11.122 1.00 0.31 C ATOM 1674 O LYS B 18 149.721 2.139 10.335 1.00 0.30 O ATOM 1675 CB LYS B 18 151.437 -0.532 10.663 1.00 0.35 C ATOM 1676 CG LYS B 18 151.637 -1.931 11.247 1.00 0.45 C ATOM 1677 CD LYS B 18 152.347 -2.811 10.216 1.00 1.16 C ATOM 1678 CE LYS B 18 152.767 -4.130 10.869 1.00 1.44 C ATOM 1679 NZ LYS B 18 153.898 -3.881 11.807 1.00 2.02 N ATOM 0 H LYS B 18 149.017 -1.020 11.064 1.00 0.36 H new ATOM 0 HA LYS B 18 151.021 0.261 12.619 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.945 -0.600 9.693 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.403 -0.056 10.498 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.226 -1.875 12.162 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.675 -2.367 11.514 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.685 -3.006 9.372 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.222 -2.294 9.822 1.00 1.16 H new ATOM 0 HE2 LYS B 18 151.925 -4.567 11.406 1.00 1.44 H new ATOM 0 HE3 LYS B 18 153.065 -4.848 10.105 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 154.411 -4.770 11.975 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 154.545 -3.181 11.392 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 153.528 -3.519 12.709 1.00 2.02 H new ATOM 1693 N PRO B 19 151.478 2.603 11.586 1.00 0.31 N ATOM 1694 CA PRO B 19 151.518 4.041 11.177 1.00 0.29 C ATOM 1695 C PRO B 19 151.724 4.211 9.666 1.00 0.25 C ATOM 1696 O PRO B 19 152.246 3.344 8.994 1.00 0.23 O ATOM 1697 CB PRO B 19 152.696 4.632 11.981 1.00 0.32 C ATOM 1698 CG PRO B 19 153.524 3.455 12.395 1.00 0.32 C ATOM 1699 CD PRO B 19 152.557 2.278 12.533 1.00 0.34 C ATOM 0 HA PRO B 19 150.575 4.548 11.383 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.277 5.327 11.374 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.340 5.187 12.849 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.294 3.241 11.654 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.035 3.651 13.338 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.038 1.332 12.283 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.181 2.185 13.552 1.00 0.34 H new ATOM 1707 N VAL B 20 151.298 5.325 9.133 1.00 0.24 N ATOM 1708 CA VAL B 20 151.443 5.566 7.670 1.00 0.22 C ATOM 1709 C VAL B 20 152.910 5.438 7.250 1.00 0.21 C ATOM 1710 O VAL B 20 153.238 4.803 6.268 1.00 0.22 O ATOM 1711 CB VAL B 20 150.928 6.973 7.341 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.758 8.022 8.091 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.031 7.220 5.833 1.00 0.28 C ATOM 0 H VAL B 20 150.853 6.082 9.652 1.00 0.24 H new ATOM 0 HA VAL B 20 150.862 4.823 7.124 1.00 0.22 H new ATOM 0 HB VAL B 20 149.886 7.052 7.651 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.386 9.019 7.852 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.676 7.851 9.164 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.803 7.943 7.790 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.664 8.220 5.602 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.072 7.134 5.520 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.430 6.482 5.302 1.00 0.28 H new ATOM 1723 N GLY B 21 153.792 6.063 7.986 1.00 0.22 N ATOM 1724 CA GLY B 21 155.242 6.016 7.641 1.00 0.21 C ATOM 1725 C GLY B 21 155.744 4.571 7.601 1.00 0.19 C ATOM 1726 O GLY B 21 156.887 4.319 7.277 1.00 0.19 O ATOM 0 H GLY B 21 153.567 6.608 8.818 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.406 6.490 6.673 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.814 6.584 8.375 1.00 0.21 H new ATOM 1730 N SER B 22 154.913 3.612 7.918 1.00 0.20 N ATOM 1731 CA SER B 22 155.374 2.192 7.883 1.00 0.20 C ATOM 1732 C SER B 22 155.245 1.646 6.459 1.00 0.19 C ATOM 1733 O SER B 22 155.900 0.690 6.091 1.00 0.20 O ATOM 1734 CB SER B 22 154.519 1.350 8.828 1.00 0.23 C ATOM 1735 OG SER B 22 155.132 0.081 9.011 1.00 1.24 O ATOM 0 H SER B 22 153.942 3.749 8.198 1.00 0.20 H new ATOM 0 HA SER B 22 156.416 2.145 8.198 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.411 1.856 9.787 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.517 1.227 8.418 1.00 0.23 H new ATOM 0 HG SER B 22 154.586 -0.461 9.618 1.00 1.24 H new ATOM 1741 N LEU B 23 154.403 2.237 5.654 1.00 0.18 N ATOM 1742 CA LEU B 23 154.239 1.738 4.260 1.00 0.18 C ATOM 1743 C LEU B 23 155.563 1.893 3.509 1.00 0.18 C ATOM 1744 O LEU B 23 156.261 2.879 3.645 1.00 0.18 O ATOM 1745 CB LEU B 23 153.143 2.542 3.554 1.00 0.19 C ATOM 1746 CG LEU B 23 151.790 2.286 4.237 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.742 3.235 3.645 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.351 0.821 4.026 1.00 0.24 C ATOM 0 H LEU B 23 153.825 3.040 5.901 1.00 0.18 H new ATOM 0 HA LEU B 23 153.955 0.686 4.278 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.381 3.605 3.585 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.090 2.258 2.503 1.00 0.19 H new ATOM 0 HG LEU B 23 151.887 2.467 5.308 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.779 3.059 4.125 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.049 4.267 3.815 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.652 3.055 2.574 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.391 0.655 4.515 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.254 0.620 2.959 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.097 0.152 4.455 1.00 0.24 H new ATOM 1760 N ALA B 24 155.914 0.913 2.730 1.00 0.18 N ATOM 1761 CA ALA B 24 157.198 0.980 1.976 1.00 0.19 C ATOM 1762 C ALA B 24 157.173 2.138 0.973 1.00 0.19 C ATOM 1763 O ALA B 24 156.203 2.360 0.276 1.00 0.20 O ATOM 1764 CB ALA B 24 157.413 -0.333 1.227 1.00 0.21 C ATOM 0 H ALA B 24 155.367 0.065 2.581 1.00 0.18 H new ATOM 0 HA ALA B 24 158.012 1.145 2.682 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.351 -0.287 0.674 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.452 -1.157 1.940 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.590 -0.494 0.531 1.00 0.21 H new ATOM 1770 N GLY B 25 158.251 2.872 0.910 1.00 0.20 N ATOM 1771 CA GLY B 25 158.333 4.029 -0.034 1.00 0.21 C ATOM 1772 C GLY B 25 157.929 5.309 0.696 1.00 0.20 C ATOM 1773 O GLY B 25 158.210 6.404 0.251 1.00 0.22 O ATOM 0 H GLY B 25 159.086 2.720 1.476 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.347 4.124 -0.423 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.678 3.862 -0.889 1.00 0.21 H new ATOM 1777 N ILE B 26 157.280 5.178 1.823 1.00 0.20 N ATOM 1778 CA ILE B 26 156.860 6.383 2.601 1.00 0.21 C ATOM 1779 C ILE B 26 157.853 6.589 3.740 1.00 0.23 C ATOM 1780 O ILE B 26 157.925 5.791 4.653 1.00 0.25 O ATOM 1781 CB ILE B 26 155.465 6.152 3.184 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.513 5.678 2.076 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.944 7.455 3.792 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.572 6.632 0.879 1.00 0.24 C ATOM 0 H ILE B 26 157.021 4.284 2.241 1.00 0.20 H new ATOM 0 HA ILE B 26 156.839 7.260 1.953 1.00 0.21 H new ATOM 0 HB ILE B 26 155.518 5.388 3.960 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.785 4.671 1.760 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.494 5.628 2.460 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.950 7.291 4.208 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.618 7.783 4.583 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.892 8.222 3.019 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.892 6.283 0.102 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.278 7.632 1.196 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.588 6.660 0.486 1.00 0.24 H new ATOM 1796 N GLY B 27 158.619 7.646 3.717 1.00 0.24 N ATOM 1797 CA GLY B 27 159.592 7.876 4.822 1.00 0.27 C ATOM 1798 C GLY B 27 158.937 8.732 5.906 1.00 0.28 C ATOM 1799 O GLY B 27 157.800 9.143 5.787 1.00 0.27 O ATOM 0 H GLY B 27 158.613 8.356 2.985 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.915 6.923 5.241 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.483 8.374 4.439 1.00 0.27 H new ATOM 1803 N GLU B 28 159.641 8.983 6.966 1.00 0.30 N ATOM 1804 CA GLU B 28 159.049 9.795 8.064 1.00 0.32 C ATOM 1805 C GLU B 28 158.569 11.137 7.506 1.00 0.32 C ATOM 1806 O GLU B 28 157.534 11.640 7.887 1.00 0.35 O ATOM 1807 CB GLU B 28 160.098 10.040 9.151 1.00 0.36 C ATOM 1808 CG GLU B 28 160.393 8.729 9.883 1.00 0.39 C ATOM 1809 CD GLU B 28 161.443 8.975 10.970 1.00 1.27 C ATOM 1810 OE1 GLU B 28 161.709 10.130 11.257 1.00 2.00 O ATOM 1811 OE2 GLU B 28 161.967 8.004 11.490 1.00 1.64 O ATOM 0 H GLU B 28 160.597 8.664 7.123 1.00 0.30 H new ATOM 0 HA GLU B 28 158.205 9.256 8.494 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.012 10.434 8.707 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.738 10.789 9.856 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.479 8.335 10.328 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.753 7.980 9.178 1.00 0.39 H new ATOM 1818 N VAL B 29 159.314 11.726 6.615 1.00 0.31 N ATOM 1819 CA VAL B 29 158.899 13.043 6.052 1.00 0.33 C ATOM 1820 C VAL B 29 157.603 12.888 5.251 1.00 0.33 C ATOM 1821 O VAL B 29 156.686 13.673 5.381 1.00 0.35 O ATOM 1822 CB VAL B 29 160.011 13.567 5.137 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.525 14.805 4.378 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.235 13.927 5.980 1.00 0.35 C ATOM 0 H VAL B 29 160.192 11.355 6.251 1.00 0.31 H new ATOM 0 HA VAL B 29 158.726 13.747 6.866 1.00 0.33 H new ATOM 0 HB VAL B 29 160.278 12.793 4.417 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.322 15.171 3.730 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.657 14.543 3.773 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.250 15.583 5.090 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.027 14.300 5.331 1.00 0.35 H new ATOM 0 HG22 VAL B 29 160.965 14.697 6.703 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.586 13.041 6.508 1.00 0.35 H new ATOM 1834 N LEU B 30 157.525 11.894 4.413 1.00 0.32 N ATOM 1835 CA LEU B 30 156.295 11.703 3.593 1.00 0.33 C ATOM 1836 C LEU B 30 155.118 11.335 4.499 1.00 0.32 C ATOM 1837 O LEU B 30 154.004 11.774 4.294 1.00 0.33 O ATOM 1838 CB LEU B 30 156.525 10.584 2.571 1.00 0.33 C ATOM 1839 CG LEU B 30 157.645 10.978 1.597 1.00 0.35 C ATOM 1840 CD1 LEU B 30 157.921 9.805 0.650 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.230 12.218 0.779 1.00 0.40 C ATOM 0 H LEU B 30 158.260 11.204 4.259 1.00 0.32 H new ATOM 0 HA LEU B 30 156.068 12.631 3.069 1.00 0.33 H new ATOM 0 HB2 LEU B 30 156.789 9.660 3.086 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.605 10.390 2.020 1.00 0.33 H new ATOM 0 HG LEU B 30 158.545 11.218 2.163 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.715 10.077 -0.045 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.228 8.934 1.229 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.016 9.568 0.091 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.033 12.487 0.093 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.327 11.994 0.211 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.036 13.051 1.454 1.00 0.40 H new ATOM 1853 N GLY B 31 155.355 10.530 5.496 1.00 0.33 N ATOM 1854 CA GLY B 31 154.249 10.132 6.411 1.00 0.34 C ATOM 1855 C GLY B 31 153.664 11.370 7.099 1.00 0.35 C ATOM 1856 O GLY B 31 152.467 11.483 7.278 1.00 0.36 O ATOM 0 H GLY B 31 156.267 10.130 5.717 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.470 9.616 5.850 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.620 9.432 7.159 1.00 0.34 H new ATOM 1860 N LYS B 32 154.496 12.297 7.496 1.00 0.35 N ATOM 1861 CA LYS B 32 153.981 13.519 8.183 1.00 0.37 C ATOM 1862 C LYS B 32 153.121 14.341 7.223 1.00 0.37 C ATOM 1863 O LYS B 32 152.110 14.894 7.607 1.00 0.38 O ATOM 1864 CB LYS B 32 155.153 14.369 8.670 1.00 0.40 C ATOM 1865 CG LYS B 32 155.850 13.654 9.828 1.00 1.18 C ATOM 1866 CD LYS B 32 157.024 14.502 10.320 1.00 1.36 C ATOM 1867 CE LYS B 32 157.725 13.789 11.479 1.00 2.07 C ATOM 1868 NZ LYS B 32 158.573 14.764 12.221 1.00 2.75 N ATOM 0 H LYS B 32 155.508 12.261 7.375 1.00 0.35 H new ATOM 0 HA LYS B 32 153.373 13.214 9.034 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.857 14.538 7.856 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.798 15.348 8.993 1.00 0.40 H new ATOM 0 HG2 LYS B 32 155.145 13.484 10.641 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.205 12.676 9.504 1.00 1.18 H new ATOM 0 HD2 LYS B 32 157.728 14.673 9.506 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.668 15.480 10.644 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.987 13.349 12.149 1.00 2.07 H new ATOM 0 HE3 LYS B 32 158.339 12.972 11.100 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 159.050 14.280 13.009 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 159.286 15.164 11.578 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.976 15.529 12.595 1.00 2.75 H new ATOM 1882 N LYS B 33 153.514 14.447 5.983 1.00 0.35 N ATOM 1883 CA LYS B 33 152.711 15.256 5.024 1.00 0.36 C ATOM 1884 C LYS B 33 151.372 14.562 4.786 1.00 0.34 C ATOM 1885 O LYS B 33 150.325 15.178 4.833 1.00 0.36 O ATOM 1886 CB LYS B 33 153.480 15.369 3.707 1.00 0.36 C ATOM 1887 CG LYS B 33 154.794 16.118 3.958 1.00 0.39 C ATOM 1888 CD LYS B 33 155.602 16.233 2.654 1.00 0.64 C ATOM 1889 CE LYS B 33 155.110 17.426 1.828 1.00 0.66 C ATOM 1890 NZ LYS B 33 155.246 18.673 2.633 1.00 1.56 N ATOM 0 H LYS B 33 154.351 14.011 5.595 1.00 0.35 H new ATOM 0 HA LYS B 33 152.533 16.253 5.427 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.683 14.377 3.304 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.881 15.898 2.966 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.584 17.112 4.352 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.381 15.594 4.712 1.00 0.39 H new ATOM 0 HD2 LYS B 33 156.661 16.353 2.883 1.00 0.64 H new ATOM 0 HD3 LYS B 33 155.503 15.315 2.075 1.00 0.64 H new ATOM 0 HE2 LYS B 33 155.688 17.509 0.908 1.00 0.66 H new ATOM 0 HE3 LYS B 33 154.070 17.278 1.539 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 155.448 19.474 2.001 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 154.360 18.853 3.147 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.025 18.564 3.313 1.00 1.56 H new ATOM 1904 N LEU B 34 151.389 13.278 4.568 1.00 0.32 N ATOM 1905 CA LEU B 34 150.112 12.544 4.372 1.00 0.31 C ATOM 1906 C LEU B 34 149.283 12.706 5.652 1.00 0.31 C ATOM 1907 O LEU B 34 148.081 12.884 5.619 1.00 0.32 O ATOM 1908 CB LEU B 34 150.410 11.063 4.094 1.00 0.28 C ATOM 1909 CG LEU B 34 151.084 10.912 2.717 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.767 9.545 2.632 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.040 11.012 1.589 1.00 0.33 C ATOM 0 H LEU B 34 152.232 12.706 4.517 1.00 0.32 H new ATOM 0 HA LEU B 34 149.557 12.939 3.521 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.059 10.662 4.872 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.486 10.486 4.121 1.00 0.28 H new ATOM 0 HG LEU B 34 151.816 11.711 2.601 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.244 9.437 1.658 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.520 9.465 3.416 1.00 0.29 H new ATOM 0 HD13 LEU B 34 151.024 8.758 2.761 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.535 10.903 0.624 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.299 10.221 1.708 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.546 11.982 1.636 1.00 0.33 H new ATOM 1923 N GLU B 35 149.939 12.649 6.777 1.00 0.31 N ATOM 1924 CA GLU B 35 149.209 12.806 8.071 1.00 0.34 C ATOM 1925 C GLU B 35 148.526 14.179 8.098 1.00 0.37 C ATOM 1926 O GLU B 35 147.398 14.313 8.529 1.00 0.39 O ATOM 1927 CB GLU B 35 150.194 12.686 9.238 1.00 0.35 C ATOM 1928 CG GLU B 35 149.439 12.809 10.566 1.00 0.92 C ATOM 1929 CD GLU B 35 150.419 12.639 11.729 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.549 12.258 11.474 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.021 12.889 12.854 1.00 1.35 O ATOM 0 H GLU B 35 150.945 12.501 6.859 1.00 0.31 H new ATOM 0 HA GLU B 35 148.455 12.024 8.166 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.713 11.729 9.191 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.954 13.465 9.167 1.00 0.35 H new ATOM 0 HG2 GLU B 35 148.949 13.780 10.629 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.656 12.053 10.623 1.00 0.92 H new ATOM 1938 N GLU B 36 149.197 15.197 7.626 1.00 0.39 N ATOM 1939 CA GLU B 36 148.582 16.557 7.605 1.00 0.44 C ATOM 1940 C GLU B 36 147.433 16.566 6.598 1.00 0.45 C ATOM 1941 O GLU B 36 146.561 17.411 6.634 1.00 0.49 O ATOM 1942 CB GLU B 36 149.631 17.595 7.191 1.00 0.46 C ATOM 1943 CG GLU B 36 150.637 17.796 8.325 1.00 1.11 C ATOM 1944 CD GLU B 36 149.955 18.518 9.487 1.00 1.38 C ATOM 1945 OE1 GLU B 36 149.025 19.267 9.230 1.00 1.85 O ATOM 1946 OE2 GLU B 36 150.372 18.314 10.615 1.00 1.99 O ATOM 0 H GLU B 36 150.145 15.145 7.254 1.00 0.39 H new ATOM 0 HA GLU B 36 148.208 16.804 8.599 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.147 17.265 6.289 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.145 18.541 6.952 1.00 0.46 H new ATOM 0 HG2 GLU B 36 151.024 16.833 8.658 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.489 18.377 7.971 1.00 1.11 H new ATOM 1953 N ARG B 37 147.441 15.631 5.689 1.00 0.42 N ATOM 1954 CA ARG B 37 146.361 15.578 4.659 1.00 0.45 C ATOM 1955 C ARG B 37 145.220 14.684 5.154 1.00 0.42 C ATOM 1956 O ARG B 37 144.237 14.486 4.467 1.00 0.43 O ATOM 1957 CB ARG B 37 146.930 15.008 3.350 1.00 0.45 C ATOM 1958 CG ARG B 37 148.036 15.927 2.796 1.00 0.52 C ATOM 1959 CD ARG B 37 147.423 17.090 2.004 1.00 0.86 C ATOM 1960 NE ARG B 37 146.712 16.557 0.809 1.00 1.42 N ATOM 1961 CZ ARG B 37 145.868 17.312 0.162 1.00 1.87 C ATOM 1962 NH1 ARG B 37 145.639 18.532 0.567 1.00 2.15 N ATOM 1963 NH2 ARG B 37 145.250 16.847 -0.890 1.00 2.68 N ATOM 0 H ARG B 37 148.148 14.900 5.613 1.00 0.42 H new ATOM 0 HA ARG B 37 145.980 16.584 4.483 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.332 14.010 3.526 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.132 14.905 2.614 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.639 16.316 3.617 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.705 15.354 2.153 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.730 17.648 2.634 1.00 0.86 H new ATOM 0 HD3 ARG B 37 148.204 17.785 1.696 1.00 0.86 H new ATOM 0 HE ARG B 37 146.885 15.602 0.497 1.00 1.42 H new ATOM 0 HH11 ARG B 37 146.120 18.895 1.390 1.00 2.15 H new ATOM 0 HH12 ARG B 37 144.979 19.122 0.061 1.00 2.15 H new ATOM 0 HH21 ARG B 37 145.427 15.893 -1.206 1.00 2.68 H new ATOM 0 HH22 ARG B 37 144.590 17.437 -1.396 1.00 2.68 H new ATOM 1977 N GLY B 38 145.322 14.171 6.357 1.00 0.41 N ATOM 1978 CA GLY B 38 144.221 13.322 6.916 1.00 0.39 C ATOM 1979 C GLY B 38 144.549 11.830 6.793 1.00 0.37 C ATOM 1980 O GLY B 38 143.675 11.025 6.537 1.00 0.49 O ATOM 0 H GLY B 38 146.121 14.304 6.977 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.060 13.576 7.964 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.291 13.536 6.390 1.00 0.39 H new ATOM 1984 N PHE B 39 145.787 11.442 6.987 1.00 0.31 N ATOM 1985 CA PHE B 39 146.163 9.994 6.900 1.00 0.28 C ATOM 1986 C PHE B 39 147.040 9.631 8.102 1.00 0.28 C ATOM 1987 O PHE B 39 148.234 9.444 7.971 1.00 0.28 O ATOM 1988 CB PHE B 39 146.961 9.763 5.621 1.00 0.27 C ATOM 1989 CG PHE B 39 146.057 9.901 4.421 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.889 11.151 3.818 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.397 8.780 3.903 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.061 11.284 2.699 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.567 8.913 2.784 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.399 10.165 2.182 1.00 0.32 C ATOM 0 H PHE B 39 146.560 12.072 7.204 1.00 0.31 H new ATOM 0 HA PHE B 39 145.263 9.379 6.895 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.778 10.482 5.557 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.411 8.770 5.637 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.399 12.015 4.217 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.528 7.813 4.367 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.933 12.250 2.234 1.00 0.33 H new ATOM 0 HE2 PHE B 39 144.056 8.049 2.385 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.758 10.268 1.318 1.00 0.32 H new ATOM 2004 N ASP B 40 146.474 9.549 9.275 1.00 0.30 N ATOM 2005 CA ASP B 40 147.309 9.222 10.469 1.00 0.31 C ATOM 2006 C ASP B 40 147.571 7.715 10.541 1.00 0.29 C ATOM 2007 O ASP B 40 148.376 7.261 11.330 1.00 0.30 O ATOM 2008 CB ASP B 40 146.582 9.671 11.738 1.00 0.35 C ATOM 2009 CG ASP B 40 145.234 8.956 11.836 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.653 8.684 10.798 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.806 8.691 12.946 1.00 0.41 O ATOM 0 H ASP B 40 145.481 9.692 9.459 1.00 0.30 H new ATOM 0 HA ASP B 40 148.263 9.743 10.384 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.189 9.447 12.615 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.432 10.751 11.721 1.00 0.35 H new ATOM 2016 N LYS B 41 146.892 6.934 9.735 1.00 0.28 N ATOM 2017 CA LYS B 41 147.090 5.447 9.764 1.00 0.28 C ATOM 2018 C LYS B 41 147.329 4.935 8.339 1.00 0.23 C ATOM 2019 O LYS B 41 146.872 5.512 7.373 1.00 0.23 O ATOM 2020 CB LYS B 41 145.835 4.788 10.349 1.00 0.33 C ATOM 2021 CG LYS B 41 145.612 5.268 11.795 1.00 0.47 C ATOM 2022 CD LYS B 41 146.527 4.504 12.763 1.00 0.74 C ATOM 2023 CE LYS B 41 146.118 4.825 14.202 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.947 4.023 15.146 1.00 1.56 N ATOM 0 H LYS B 41 146.206 7.262 9.055 1.00 0.28 H new ATOM 0 HA LYS B 41 147.954 5.200 10.381 1.00 0.28 H new ATOM 0 HB2 LYS B 41 144.967 5.034 9.738 1.00 0.33 H new ATOM 0 HB3 LYS B 41 145.941 3.703 10.330 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.812 6.337 11.864 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.570 5.119 12.077 1.00 0.47 H new ATOM 0 HD2 LYS B 41 146.453 3.432 12.582 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.567 4.784 12.597 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.249 5.889 14.400 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.061 4.601 14.349 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.425 3.885 16.035 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 147.159 3.098 14.721 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 147.836 4.526 15.341 1.00 1.56 H new ATOM 2038 N ALA B 42 148.066 3.864 8.208 1.00 0.21 N ATOM 2039 CA ALA B 42 148.373 3.308 6.857 1.00 0.20 C ATOM 2040 C ALA B 42 147.107 2.778 6.172 1.00 0.18 C ATOM 2041 O ALA B 42 146.940 2.924 4.977 1.00 0.18 O ATOM 2042 CB ALA B 42 149.380 2.169 7.002 1.00 0.21 C ATOM 0 H ALA B 42 148.472 3.346 8.987 1.00 0.21 H new ATOM 0 HA ALA B 42 148.786 4.107 6.242 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.609 1.758 6.019 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.294 2.548 7.459 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.957 1.387 7.632 1.00 0.21 H new ATOM 2048 N TYR B 43 146.234 2.131 6.893 1.00 0.18 N ATOM 2049 CA TYR B 43 145.019 1.566 6.238 1.00 0.18 C ATOM 2050 C TYR B 43 144.202 2.685 5.582 1.00 0.17 C ATOM 2051 O TYR B 43 143.378 2.437 4.724 1.00 0.17 O ATOM 2052 CB TYR B 43 144.160 0.786 7.239 1.00 0.20 C ATOM 2053 CG TYR B 43 143.472 1.719 8.200 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.234 2.270 7.859 1.00 0.21 C ATOM 2055 CD2 TYR B 43 144.051 2.007 9.439 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.574 3.113 8.755 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.391 2.853 10.336 1.00 0.28 C ATOM 2058 CZ TYR B 43 142.152 3.406 9.995 1.00 0.27 C ATOM 2059 OH TYR B 43 141.499 4.239 10.881 1.00 0.32 O ATOM 0 H TYR B 43 146.307 1.969 7.898 1.00 0.18 H new ATOM 0 HA TYR B 43 145.343 0.869 5.466 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.416 0.196 6.703 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.785 0.085 7.792 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.788 2.044 6.902 1.00 0.21 H new ATOM 0 HD2 TYR B 43 145.006 1.577 9.703 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.617 3.539 8.491 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.838 3.080 11.293 1.00 0.28 H new ATOM 0 HH TYR B 43 142.037 4.337 11.695 1.00 0.32 H new ATOM 2069 N VAL B 44 144.441 3.914 5.950 1.00 0.18 N ATOM 2070 CA VAL B 44 143.692 5.037 5.311 1.00 0.18 C ATOM 2071 C VAL B 44 144.349 5.325 3.953 1.00 0.17 C ATOM 2072 O VAL B 44 143.709 5.707 2.990 1.00 0.17 O ATOM 2073 CB VAL B 44 143.758 6.277 6.213 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.961 7.434 5.595 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.163 5.936 7.583 1.00 0.24 C ATOM 0 H VAL B 44 145.118 4.190 6.661 1.00 0.18 H new ATOM 0 HA VAL B 44 142.644 4.774 5.169 1.00 0.18 H new ATOM 0 HB VAL B 44 144.800 6.580 6.318 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.019 8.305 6.248 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.379 7.683 4.620 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.919 7.136 5.478 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.208 6.814 8.228 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.125 5.627 7.462 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.733 5.124 8.035 1.00 0.24 H new ATOM 2085 N VAL B 45 145.635 5.107 3.887 1.00 0.17 N ATOM 2086 CA VAL B 45 146.377 5.331 2.613 1.00 0.17 C ATOM 2087 C VAL B 45 146.113 4.132 1.704 1.00 0.15 C ATOM 2088 O VAL B 45 145.953 4.268 0.507 1.00 0.15 O ATOM 2089 CB VAL B 45 147.878 5.458 2.888 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.644 5.461 1.562 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.153 6.768 3.634 1.00 0.20 C ATOM 0 H VAL B 45 146.207 4.781 4.666 1.00 0.17 H new ATOM 0 HA VAL B 45 146.042 6.253 2.138 1.00 0.17 H new ATOM 0 HB VAL B 45 148.205 4.615 3.497 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.712 5.551 1.759 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.451 4.530 1.028 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.315 6.303 0.954 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.222 6.858 3.830 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.823 7.610 3.025 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.610 6.769 4.579 1.00 0.20 H new ATOM 2101 N LEU B 46 146.020 2.963 2.274 1.00 0.17 N ATOM 2102 CA LEU B 46 145.715 1.760 1.455 1.00 0.17 C ATOM 2103 C LEU B 46 144.363 1.997 0.794 1.00 0.17 C ATOM 2104 O LEU B 46 144.122 1.608 -0.331 1.00 0.17 O ATOM 2105 CB LEU B 46 145.643 0.528 2.367 1.00 0.22 C ATOM 2106 CG LEU B 46 145.117 -0.687 1.591 1.00 0.25 C ATOM 2107 CD1 LEU B 46 145.973 -0.925 0.342 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.173 -1.923 2.493 1.00 0.35 C ATOM 0 H LEU B 46 146.142 2.790 3.272 1.00 0.17 H new ATOM 0 HA LEU B 46 146.486 1.589 0.703 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.632 0.309 2.770 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.991 0.734 3.216 1.00 0.22 H new ATOM 0 HG LEU B 46 144.088 -0.500 1.284 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.591 -1.789 -0.201 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.932 -0.045 -0.300 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.006 -1.110 0.638 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.800 -2.789 1.947 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.203 -2.103 2.800 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.555 -1.758 3.376 1.00 0.35 H new ATOM 2120 N GLY B 47 143.480 2.641 1.504 1.00 0.17 N ATOM 2121 CA GLY B 47 142.130 2.926 0.957 1.00 0.18 C ATOM 2122 C GLY B 47 142.257 3.773 -0.308 1.00 0.17 C ATOM 2123 O GLY B 47 141.585 3.536 -1.290 1.00 0.18 O ATOM 0 H GLY B 47 143.641 2.985 2.451 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.614 1.993 0.731 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.529 3.451 1.700 1.00 0.18 H new ATOM 2127 N GLN B 48 143.122 4.753 -0.306 1.00 0.17 N ATOM 2128 CA GLN B 48 143.282 5.593 -1.527 1.00 0.18 C ATOM 2129 C GLN B 48 143.714 4.690 -2.685 1.00 0.17 C ATOM 2130 O GLN B 48 143.204 4.783 -3.784 1.00 0.18 O ATOM 2131 CB GLN B 48 144.354 6.660 -1.275 1.00 0.18 C ATOM 2132 CG GLN B 48 144.425 7.619 -2.467 1.00 0.22 C ATOM 2133 CD GLN B 48 143.141 8.449 -2.537 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.863 9.234 -1.653 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.344 8.310 -3.561 1.00 1.09 N ATOM 0 H GLN B 48 143.719 5.006 0.481 1.00 0.17 H new ATOM 0 HA GLN B 48 142.341 6.086 -1.771 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.122 7.213 -0.365 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.323 6.185 -1.121 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.289 8.276 -2.367 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.557 7.057 -3.391 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.578 7.651 -4.303 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.487 8.861 -3.619 1.00 1.09 H new ATOM 2144 N PHE B 49 144.638 3.804 -2.436 1.00 0.17 N ATOM 2145 CA PHE B 49 145.097 2.871 -3.505 1.00 0.17 C ATOM 2146 C PHE B 49 143.909 2.038 -3.993 1.00 0.18 C ATOM 2147 O PHE B 49 143.748 1.789 -5.171 1.00 0.19 O ATOM 2148 CB PHE B 49 146.174 1.951 -2.932 1.00 0.18 C ATOM 2149 CG PHE B 49 146.616 0.976 -3.991 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.619 1.333 -4.899 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.024 -0.289 -4.060 1.00 0.27 C ATOM 2152 CE1 PHE B 49 148.027 0.423 -5.881 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.433 -1.199 -5.039 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.435 -0.844 -5.950 1.00 0.27 C ATOM 0 H PHE B 49 145.098 3.685 -1.533 1.00 0.17 H new ATOM 0 HA PHE B 49 145.508 3.435 -4.342 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.024 2.539 -2.587 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.786 1.414 -2.067 1.00 0.18 H new ATOM 0 HD1 PHE B 49 148.078 2.309 -4.842 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.251 -0.563 -3.357 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.798 0.698 -6.585 1.00 0.27 H new ATOM 0 HE2 PHE B 49 145.976 -2.176 -5.093 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.751 -1.547 -6.706 1.00 0.27 H new ATOM 2164 N LEU B 50 143.088 1.605 -3.091 1.00 0.18 N ATOM 2165 CA LEU B 50 141.914 0.783 -3.494 1.00 0.20 C ATOM 2166 C LEU B 50 140.938 1.676 -4.273 1.00 0.21 C ATOM 2167 O LEU B 50 140.326 1.253 -5.234 1.00 0.23 O ATOM 2168 CB LEU B 50 141.247 0.206 -2.237 1.00 0.22 C ATOM 2169 CG LEU B 50 142.189 -0.809 -1.561 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.666 -1.133 -0.155 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.271 -2.108 -2.388 1.00 0.27 C ATOM 0 H LEU B 50 143.174 1.782 -2.090 1.00 0.18 H new ATOM 0 HA LEU B 50 142.222 -0.046 -4.131 1.00 0.20 H new ATOM 0 HB2 LEU B 50 141.005 1.010 -1.542 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.307 -0.278 -2.503 1.00 0.22 H new ATOM 0 HG LEU B 50 143.185 -0.371 -1.496 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.332 -1.851 0.324 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.629 -0.220 0.439 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.665 -1.559 -0.228 1.00 0.27 H new ATOM 0 HD21 LEU B 50 142.941 -2.812 -1.894 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.278 -2.550 -2.471 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.652 -1.882 -3.384 1.00 0.27 H new ATOM 2183 N VAL B 51 140.782 2.904 -3.859 1.00 0.21 N ATOM 2184 CA VAL B 51 139.840 3.832 -4.562 1.00 0.23 C ATOM 2185 C VAL B 51 140.372 4.193 -5.964 1.00 0.23 C ATOM 2186 O VAL B 51 139.630 4.636 -6.819 1.00 0.25 O ATOM 2187 CB VAL B 51 139.674 5.114 -3.728 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.948 6.188 -4.548 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.852 4.804 -2.474 1.00 0.27 C ATOM 0 H VAL B 51 141.268 3.310 -3.059 1.00 0.21 H new ATOM 0 HA VAL B 51 138.877 3.334 -4.676 1.00 0.23 H new ATOM 0 HB VAL B 51 140.661 5.481 -3.446 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.836 7.091 -3.947 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.528 6.417 -5.442 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.963 5.821 -4.838 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.734 5.712 -1.883 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.870 4.431 -2.766 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.366 4.048 -1.880 1.00 0.27 H new ATOM 2199 N LEU B 52 141.650 4.043 -6.197 1.00 0.22 N ATOM 2200 CA LEU B 52 142.227 4.418 -7.533 1.00 0.23 C ATOM 2201 C LEU B 52 142.189 3.239 -8.509 1.00 0.23 C ATOM 2202 O LEU B 52 142.815 3.276 -9.549 1.00 0.24 O ATOM 2203 CB LEU B 52 143.675 4.867 -7.349 1.00 0.24 C ATOM 2204 CG LEU B 52 143.718 6.221 -6.622 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.167 6.530 -6.226 1.00 0.30 C ATOM 2206 CD2 LEU B 52 143.174 7.344 -7.535 1.00 0.27 C ATOM 0 H LEU B 52 142.323 3.678 -5.523 1.00 0.22 H new ATOM 0 HA LEU B 52 141.626 5.227 -7.948 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.226 4.120 -6.777 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.165 4.950 -8.319 1.00 0.24 H new ATOM 0 HG LEU B 52 143.093 6.169 -5.731 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.206 7.489 -5.710 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.539 5.747 -5.565 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.787 6.574 -7.121 1.00 0.30 H new ATOM 0 HD21 LEU B 52 143.212 8.295 -7.004 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.783 7.407 -8.437 1.00 0.27 H new ATOM 0 HD23 LEU B 52 142.143 7.122 -7.809 1.00 0.27 H new ATOM 2218 N LYS B 53 141.469 2.200 -8.205 1.00 0.23 N ATOM 2219 CA LYS B 53 141.411 1.046 -9.148 1.00 0.24 C ATOM 2220 C LYS B 53 142.827 0.627 -9.556 1.00 0.24 C ATOM 2221 O LYS B 53 143.059 0.236 -10.683 1.00 0.30 O ATOM 2222 CB LYS B 53 140.636 1.450 -10.403 1.00 0.29 C ATOM 2223 CG LYS B 53 139.155 1.626 -10.062 1.00 0.39 C ATOM 2224 CD LYS B 53 138.365 1.959 -11.334 1.00 0.48 C ATOM 2225 CE LYS B 53 138.791 3.329 -11.882 1.00 0.92 C ATOM 2226 NZ LYS B 53 137.717 3.865 -12.765 1.00 1.71 N ATOM 0 H LYS B 53 140.920 2.096 -7.351 1.00 0.23 H new ATOM 0 HA LYS B 53 140.913 0.213 -8.652 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.039 2.379 -10.807 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.753 0.689 -11.175 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.766 0.714 -9.609 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.034 2.423 -9.328 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.534 1.190 -12.087 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.297 1.963 -11.117 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.979 4.019 -11.060 1.00 0.92 H new ATOM 0 HE3 LYS B 53 139.723 3.236 -12.440 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 138.004 4.793 -13.137 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.558 3.209 -13.556 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.838 3.968 -12.219 1.00 1.71 H new ATOM 2240 N LYS B 54 143.775 0.704 -8.650 1.00 0.23 N ATOM 2241 CA LYS B 54 145.184 0.307 -8.962 1.00 0.26 C ATOM 2242 C LYS B 54 145.730 1.151 -10.118 1.00 0.28 C ATOM 2243 O LYS B 54 146.700 0.782 -10.750 1.00 0.34 O ATOM 2244 CB LYS B 54 145.239 -1.178 -9.344 1.00 0.36 C ATOM 2245 CG LYS B 54 144.724 -2.020 -8.177 1.00 0.67 C ATOM 2246 CD LYS B 54 144.775 -3.504 -8.548 1.00 0.83 C ATOM 2247 CE LYS B 54 144.258 -4.340 -7.377 1.00 1.41 C ATOM 2248 NZ LYS B 54 142.828 -4.011 -7.123 1.00 2.25 N ATOM 0 H LYS B 54 143.628 1.030 -7.695 1.00 0.23 H new ATOM 0 HA LYS B 54 145.796 0.476 -8.076 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.634 -1.359 -10.233 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.261 -1.464 -9.590 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.329 -1.836 -7.289 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.702 -1.732 -7.932 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.170 -3.689 -9.436 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.797 -3.794 -8.792 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.364 -5.402 -7.600 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.852 -4.141 -6.485 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 142.385 -4.782 -6.584 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 142.767 -3.128 -6.577 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 142.333 -3.893 -8.030 1.00 2.25 H new ATOM 2262 N ASP B 55 145.149 2.285 -10.397 1.00 0.30 N ATOM 2263 CA ASP B 55 145.694 3.121 -11.505 1.00 0.39 C ATOM 2264 C ASP B 55 147.070 3.647 -11.078 1.00 0.38 C ATOM 2265 O ASP B 55 147.183 4.521 -10.241 1.00 0.37 O ATOM 2266 CB ASP B 55 144.746 4.288 -11.779 1.00 0.47 C ATOM 2267 CG ASP B 55 143.493 3.766 -12.486 1.00 1.18 C ATOM 2268 OD1 ASP B 55 143.623 2.845 -13.276 1.00 1.80 O ATOM 2269 OD2 ASP B 55 142.425 4.292 -12.222 1.00 1.54 O ATOM 0 H ASP B 55 144.334 2.665 -9.915 1.00 0.30 H new ATOM 0 HA ASP B 55 145.790 2.530 -12.416 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.473 4.777 -10.844 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.241 5.037 -12.397 1.00 0.47 H new ATOM 2274 N GLU B 56 148.117 3.089 -11.627 1.00 0.39 N ATOM 2275 CA GLU B 56 149.501 3.506 -11.245 1.00 0.38 C ATOM 2276 C GLU B 56 149.804 4.961 -11.640 1.00 0.38 C ATOM 2277 O GLU B 56 150.437 5.685 -10.901 1.00 0.38 O ATOM 2278 CB GLU B 56 150.496 2.578 -11.942 1.00 0.40 C ATOM 2279 CG GLU B 56 151.905 2.846 -11.415 1.00 0.41 C ATOM 2280 CD GLU B 56 152.850 1.757 -11.924 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.383 0.880 -12.634 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.021 1.812 -11.590 1.00 0.85 O ATOM 0 H GLU B 56 148.073 2.353 -12.332 1.00 0.39 H new ATOM 0 HA GLU B 56 149.588 3.439 -10.161 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.223 1.538 -11.766 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.464 2.738 -13.020 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.249 3.826 -11.746 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.902 2.860 -10.325 1.00 0.41 H new ATOM 2289 N ASP B 57 149.373 5.394 -12.793 1.00 0.40 N ATOM 2290 CA ASP B 57 149.661 6.799 -13.221 1.00 0.42 C ATOM 2291 C ASP B 57 148.881 7.773 -12.339 1.00 0.41 C ATOM 2292 O ASP B 57 149.380 8.807 -11.943 1.00 0.41 O ATOM 2293 CB ASP B 57 149.244 6.984 -14.681 1.00 0.45 C ATOM 2294 CG ASP B 57 150.197 6.200 -15.585 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.238 6.739 -15.925 1.00 0.74 O ATOM 2296 OD2 ASP B 57 149.867 5.077 -15.926 1.00 0.65 O ATOM 0 H ASP B 57 148.835 4.839 -13.458 1.00 0.40 H new ATOM 0 HA ASP B 57 150.728 6.996 -13.121 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.221 6.637 -14.825 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.262 8.041 -14.945 1.00 0.45 H new ATOM 2301 N LEU B 58 147.671 7.443 -12.018 1.00 0.40 N ATOM 2302 CA LEU B 58 146.876 8.350 -11.148 1.00 0.40 C ATOM 2303 C LEU B 58 147.467 8.322 -9.738 1.00 0.38 C ATOM 2304 O LEU B 58 147.576 9.337 -9.079 1.00 0.38 O ATOM 2305 CB LEU B 58 145.415 7.900 -11.103 1.00 0.41 C ATOM 2306 CG LEU B 58 144.788 7.994 -12.501 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.347 7.473 -12.441 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.789 9.459 -12.989 1.00 0.55 C ATOM 0 H LEU B 58 147.196 6.591 -12.316 1.00 0.40 H new ATOM 0 HA LEU B 58 146.914 9.362 -11.550 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.354 6.875 -10.737 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.857 8.522 -10.403 1.00 0.41 H new ATOM 0 HG LEU B 58 145.371 7.392 -13.198 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.895 7.537 -13.431 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.349 6.435 -12.109 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.771 8.077 -11.740 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.342 9.512 -13.982 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.212 10.073 -12.298 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.814 9.827 -13.033 1.00 0.55 H new ATOM 2320 N PHE B 59 147.880 7.171 -9.282 1.00 0.37 N ATOM 2321 CA PHE B 59 148.501 7.084 -7.930 1.00 0.35 C ATOM 2322 C PHE B 59 149.765 7.940 -7.907 1.00 0.36 C ATOM 2323 O PHE B 59 150.001 8.698 -6.987 1.00 0.35 O ATOM 2324 CB PHE B 59 148.852 5.627 -7.616 1.00 0.35 C ATOM 2325 CG PHE B 59 149.508 5.543 -6.257 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.724 5.376 -5.109 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.901 5.625 -6.145 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.331 5.295 -3.851 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.509 5.543 -4.886 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.724 5.377 -3.739 1.00 0.37 C ATOM 0 H PHE B 59 147.814 6.287 -9.787 1.00 0.37 H new ATOM 0 HA PHE B 59 147.800 7.448 -7.178 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.951 5.014 -7.634 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.522 5.232 -8.379 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.649 5.310 -5.195 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.507 5.752 -7.030 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.725 5.169 -2.966 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.584 5.608 -4.800 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.193 5.312 -2.768 1.00 0.37 H new ATOM 2340 N ARG B 60 150.589 7.809 -8.912 1.00 0.38 N ATOM 2341 CA ARG B 60 151.851 8.596 -8.950 1.00 0.39 C ATOM 2342 C ARG B 60 151.553 10.092 -8.939 1.00 0.40 C ATOM 2343 O ARG B 60 152.137 10.836 -8.176 1.00 0.39 O ATOM 2344 CB ARG B 60 152.633 8.260 -10.225 1.00 0.43 C ATOM 2345 CG ARG B 60 153.234 6.860 -10.113 1.00 0.44 C ATOM 2346 CD ARG B 60 153.852 6.456 -11.451 1.00 0.51 C ATOM 2347 NE ARG B 60 154.640 5.203 -11.275 1.00 1.31 N ATOM 2348 CZ ARG B 60 155.004 4.508 -12.316 1.00 1.54 C ATOM 2349 NH1 ARG B 60 154.651 4.893 -13.513 1.00 1.15 N ATOM 2350 NH2 ARG B 60 155.714 3.424 -12.162 1.00 2.64 N ATOM 0 H ARG B 60 150.440 7.189 -9.709 1.00 0.38 H new ATOM 0 HA ARG B 60 152.439 8.340 -8.069 1.00 0.39 H new ATOM 0 HB2 ARG B 60 151.974 8.314 -11.091 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.424 8.993 -10.381 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.993 6.841 -9.331 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.463 6.145 -9.827 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.069 6.305 -12.195 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.495 7.254 -11.823 1.00 0.51 H new ATOM 0 HE ARG B 60 154.895 4.889 -10.339 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.091 5.737 -13.633 1.00 1.15 H new ATOM 0 HH12 ARG B 60 154.935 4.350 -14.328 1.00 1.15 H new ATOM 0 HH21 ARG B 60 155.984 3.120 -11.227 1.00 2.64 H new ATOM 0 HH22 ARG B 60 155.998 2.881 -12.977 1.00 2.64 H new ATOM 2364 N GLU B 61 150.656 10.553 -9.764 1.00 0.42 N ATOM 2365 CA GLU B 61 150.349 12.005 -9.766 1.00 0.44 C ATOM 2366 C GLU B 61 149.699 12.376 -8.436 1.00 0.42 C ATOM 2367 O GLU B 61 149.984 13.410 -7.869 1.00 0.43 O ATOM 2368 CB GLU B 61 149.385 12.320 -10.911 1.00 0.48 C ATOM 2369 CG GLU B 61 150.114 12.169 -12.246 1.00 1.30 C ATOM 2370 CD GLU B 61 149.125 12.371 -13.395 1.00 1.77 C ATOM 2371 OE1 GLU B 61 147.963 12.613 -13.114 1.00 2.38 O ATOM 2372 OE2 GLU B 61 149.546 12.282 -14.536 1.00 2.33 O ATOM 0 H GLU B 61 150.127 9.991 -10.431 1.00 0.42 H new ATOM 0 HA GLU B 61 151.267 12.577 -9.900 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.528 11.648 -10.874 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.999 13.334 -10.808 1.00 0.48 H new ATOM 0 HG2 GLU B 61 150.922 12.898 -12.315 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.569 11.181 -12.314 1.00 1.30 H new ATOM 2379 N TRP B 62 148.834 11.545 -7.923 1.00 0.40 N ATOM 2380 CA TRP B 62 148.179 11.865 -6.622 1.00 0.39 C ATOM 2381 C TRP B 62 149.216 11.947 -5.502 1.00 0.36 C ATOM 2382 O TRP B 62 149.249 12.891 -4.740 1.00 0.36 O ATOM 2383 CB TRP B 62 147.157 10.767 -6.278 1.00 0.38 C ATOM 2384 CG TRP B 62 146.705 10.927 -4.855 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.738 11.770 -4.429 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.216 10.254 -3.668 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.619 11.653 -3.053 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.508 10.730 -2.539 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.214 9.282 -3.463 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.783 10.259 -1.251 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.490 8.806 -2.172 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.777 9.293 -1.069 1.00 0.32 C ATOM 0 H TRP B 62 148.553 10.661 -8.346 1.00 0.40 H new ATOM 0 HA TRP B 62 147.679 12.829 -6.714 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.302 10.829 -6.951 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.604 9.783 -6.420 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.154 12.427 -5.057 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.956 12.184 -2.489 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.771 8.900 -4.306 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.232 10.639 -0.404 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.257 8.059 -2.028 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.995 8.922 -0.078 1.00 0.32 H new ATOM 2403 N LEU B 63 150.054 10.961 -5.394 1.00 0.34 N ATOM 2404 CA LEU B 63 151.078 10.973 -4.318 1.00 0.32 C ATOM 2405 C LEU B 63 152.070 12.107 -4.564 1.00 0.33 C ATOM 2406 O LEU B 63 152.390 12.872 -3.677 1.00 0.32 O ATOM 2407 CB LEU B 63 151.817 9.626 -4.323 1.00 0.31 C ATOM 2408 CG LEU B 63 152.891 9.586 -3.226 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.244 9.637 -1.836 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.694 8.290 -3.371 1.00 0.32 C ATOM 0 H LEU B 63 150.075 10.145 -6.005 1.00 0.34 H new ATOM 0 HA LEU B 63 150.598 11.127 -3.352 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.105 8.815 -4.170 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.280 9.464 -5.297 1.00 0.31 H new ATOM 0 HG LEU B 63 153.546 10.450 -3.333 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.021 9.608 -1.072 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.670 10.558 -1.735 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.580 8.781 -1.712 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.461 8.249 -2.597 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.026 7.435 -3.266 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.167 8.263 -4.353 1.00 0.32 H new ATOM 2422 N LYS B 64 152.556 12.221 -5.764 1.00 0.35 N ATOM 2423 CA LYS B 64 153.526 13.302 -6.074 1.00 0.37 C ATOM 2424 C LYS B 64 152.866 14.665 -5.865 1.00 0.38 C ATOM 2425 O LYS B 64 153.439 15.562 -5.279 1.00 0.38 O ATOM 2426 CB LYS B 64 154.000 13.166 -7.521 1.00 0.41 C ATOM 2427 CG LYS B 64 155.064 14.225 -7.811 1.00 0.43 C ATOM 2428 CD LYS B 64 155.541 14.081 -9.253 1.00 0.68 C ATOM 2429 CE LYS B 64 156.605 15.139 -9.544 1.00 1.24 C ATOM 2430 NZ LYS B 64 156.941 15.121 -10.996 1.00 2.10 N ATOM 0 H LYS B 64 152.323 11.610 -6.547 1.00 0.35 H new ATOM 0 HA LYS B 64 154.385 13.219 -5.408 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.408 12.169 -7.689 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.158 13.285 -8.203 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.654 15.222 -7.650 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.904 14.111 -7.125 1.00 0.43 H new ATOM 0 HD2 LYS B 64 155.950 13.084 -9.414 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.701 14.196 -9.939 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.240 16.125 -9.257 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.498 14.944 -8.951 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 157.665 15.841 -11.194 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.306 14.183 -11.256 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.087 15.327 -11.553 1.00 2.10 H new ATOM 2444 N ASP B 65 151.663 14.823 -6.340 1.00 0.41 N ATOM 2445 CA ASP B 65 150.956 16.124 -6.173 1.00 0.44 C ATOM 2446 C ASP B 65 150.599 16.317 -4.700 1.00 0.43 C ATOM 2447 O ASP B 65 150.532 17.425 -4.206 1.00 0.45 O ATOM 2448 CB ASP B 65 149.674 16.130 -7.010 1.00 0.48 C ATOM 2449 CG ASP B 65 150.035 16.137 -8.497 1.00 1.17 C ATOM 2450 OD1 ASP B 65 150.998 16.800 -8.849 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.346 15.477 -9.256 1.00 1.41 O ATOM 0 H ASP B 65 151.137 14.105 -6.838 1.00 0.41 H new ATOM 0 HA ASP B 65 151.606 16.933 -6.506 1.00 0.44 H new ATOM 0 HB2 ASP B 65 149.070 15.253 -6.776 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.072 17.006 -6.767 1.00 0.48 H new ATOM 2456 N THR B 66 150.336 15.245 -4.005 1.00 0.39 N ATOM 2457 CA THR B 66 149.944 15.356 -2.574 1.00 0.39 C ATOM 2458 C THR B 66 151.156 15.629 -1.681 1.00 0.38 C ATOM 2459 O THR B 66 151.043 16.355 -0.715 1.00 0.40 O ATOM 2460 CB THR B 66 149.265 14.059 -2.125 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.107 13.834 -2.917 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.861 14.175 -0.655 1.00 0.38 C ATOM 0 H THR B 66 150.376 14.293 -4.369 1.00 0.39 H new ATOM 0 HA THR B 66 149.254 16.194 -2.478 1.00 0.39 H new ATOM 0 HB THR B 66 149.958 13.226 -2.246 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.375 13.624 -3.836 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.378 13.251 -0.336 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.748 14.349 -0.046 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.168 15.008 -0.533 1.00 0.38 H new ATOM 2470 N CYS B 67 152.305 15.041 -1.949 1.00 0.36 N ATOM 2471 CA CYS B 67 153.492 15.263 -1.057 1.00 0.37 C ATOM 2472 C CYS B 67 154.746 15.628 -1.856 1.00 0.37 C ATOM 2473 O CYS B 67 155.549 16.431 -1.423 1.00 0.39 O ATOM 2474 CB CYS B 67 153.763 13.981 -0.268 1.00 0.36 C ATOM 2475 SG CYS B 67 153.868 12.580 -1.408 1.00 0.36 S ATOM 0 H CYS B 67 152.469 14.421 -2.742 1.00 0.36 H new ATOM 0 HA CYS B 67 153.263 16.094 -0.390 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.692 14.077 0.294 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.968 13.814 0.458 1.00 0.36 H new ATOM 0 HG CYS B 67 152.962 12.704 -2.332 1.00 0.36 H new ATOM 2481 N GLY B 68 154.928 15.037 -3.015 1.00 0.35 N ATOM 2482 CA GLY B 68 156.139 15.337 -3.848 1.00 0.36 C ATOM 2483 C GLY B 68 157.024 14.091 -3.920 1.00 0.34 C ATOM 2484 O GLY B 68 158.188 14.167 -4.259 1.00 0.33 O ATOM 0 H GLY B 68 154.286 14.356 -3.422 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.839 15.642 -4.850 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.696 16.168 -3.415 1.00 0.36 H new ATOM 2488 N ALA B 69 156.486 12.941 -3.609 1.00 0.32 N ATOM 2489 CA ALA B 69 157.306 11.697 -3.668 1.00 0.31 C ATOM 2490 C ALA B 69 157.951 11.587 -5.048 1.00 0.31 C ATOM 2491 O ALA B 69 157.450 12.114 -6.021 1.00 0.32 O ATOM 2492 CB ALA B 69 156.410 10.482 -3.418 1.00 0.31 C ATOM 0 H ALA B 69 155.517 12.810 -3.318 1.00 0.32 H new ATOM 0 HA ALA B 69 158.083 11.732 -2.904 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.010 9.573 -3.461 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.949 10.566 -2.434 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.632 10.440 -4.181 1.00 0.31 H new ATOM 2498 N ASN B 70 159.064 10.910 -5.144 1.00 0.29 N ATOM 2499 CA ASN B 70 159.744 10.776 -6.466 1.00 0.29 C ATOM 2500 C ASN B 70 159.245 9.514 -7.170 1.00 0.29 C ATOM 2501 O ASN B 70 158.523 8.717 -6.607 1.00 0.29 O ATOM 2502 CB ASN B 70 161.254 10.672 -6.255 1.00 0.29 C ATOM 2503 CG ASN B 70 161.776 11.980 -5.659 1.00 1.07 C ATOM 2504 OD1 ASN B 70 161.593 13.038 -6.229 1.00 1.91 O ATOM 2505 ND2 ASN B 70 162.420 11.953 -4.525 1.00 1.78 N ATOM 0 H ASN B 70 159.531 10.445 -4.366 1.00 0.29 H new ATOM 0 HA ASN B 70 159.520 11.650 -7.078 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.483 9.840 -5.589 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.751 10.468 -7.203 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.770 12.820 -4.117 1.00 1.78 H new ATOM 0 HD22 ASN B 70 162.574 11.065 -4.047 1.00 1.78 H new ATOM 2512 N ALA B 71 159.617 9.338 -8.406 1.00 0.31 N ATOM 2513 CA ALA B 71 159.163 8.142 -9.166 1.00 0.33 C ATOM 2514 C ALA B 71 159.632 6.858 -8.476 1.00 0.31 C ATOM 2515 O ALA B 71 158.976 5.841 -8.546 1.00 0.31 O ATOM 2516 CB ALA B 71 159.738 8.190 -10.582 1.00 0.38 C ATOM 0 H ALA B 71 160.220 9.976 -8.926 1.00 0.31 H new ATOM 0 HA ALA B 71 158.074 8.146 -9.205 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.406 7.314 -11.139 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.392 9.093 -11.085 1.00 0.38 H new ATOM 0 HB3 ALA B 71 160.827 8.197 -10.532 1.00 0.38 H new ATOM 2522 N LYS B 72 160.762 6.880 -7.825 1.00 0.29 N ATOM 2523 CA LYS B 72 161.242 5.630 -7.163 1.00 0.28 C ATOM 2524 C LYS B 72 160.386 5.319 -5.937 1.00 0.26 C ATOM 2525 O LYS B 72 160.054 4.182 -5.671 1.00 0.26 O ATOM 2526 CB LYS B 72 162.705 5.792 -6.741 1.00 0.28 C ATOM 2527 CG LYS B 72 163.207 4.481 -6.130 1.00 1.18 C ATOM 2528 CD LYS B 72 164.672 4.628 -5.723 1.00 1.28 C ATOM 2529 CE LYS B 72 165.144 3.332 -5.065 1.00 2.10 C ATOM 2530 NZ LYS B 72 164.366 3.106 -3.813 1.00 2.57 N ATOM 0 H LYS B 72 161.367 7.695 -7.722 1.00 0.29 H new ATOM 0 HA LYS B 72 161.160 4.806 -7.871 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.316 6.062 -7.603 1.00 0.28 H new ATOM 0 HB3 LYS B 72 162.799 6.602 -6.018 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.603 4.219 -5.261 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.099 3.669 -6.849 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.284 4.850 -6.597 1.00 1.28 H new ATOM 0 HD3 LYS B 72 164.788 5.463 -5.033 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.009 2.493 -5.748 1.00 2.10 H new ATOM 0 HE3 LYS B 72 166.209 3.391 -4.840 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 165.016 2.856 -3.041 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 163.850 3.974 -3.564 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 163.689 2.331 -3.960 1.00 2.57 H new ATOM 2544 N GLN B 73 160.044 6.319 -5.174 1.00 0.25 N ATOM 2545 CA GLN B 73 159.233 6.086 -3.948 1.00 0.24 C ATOM 2546 C GLN B 73 157.837 5.597 -4.318 1.00 0.25 C ATOM 2547 O GLN B 73 157.272 4.745 -3.661 1.00 0.25 O ATOM 2548 CB GLN B 73 159.126 7.390 -3.157 1.00 0.26 C ATOM 2549 CG GLN B 73 160.488 7.734 -2.549 1.00 0.28 C ATOM 2550 CD GLN B 73 160.426 9.124 -1.913 1.00 1.25 C ATOM 2551 OE1 GLN B 73 159.587 9.930 -2.266 1.00 2.12 O ATOM 2552 NE2 GLN B 73 161.284 9.442 -0.981 1.00 1.89 N ATOM 0 H GLN B 73 160.293 7.293 -5.348 1.00 0.25 H new ATOM 0 HA GLN B 73 159.721 5.324 -3.340 1.00 0.24 H new ATOM 0 HB2 GLN B 73 158.793 8.197 -3.810 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.380 7.289 -2.369 1.00 0.26 H new ATOM 0 HG2 GLN B 73 160.762 6.991 -1.800 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.259 7.709 -3.319 1.00 0.28 H new ATOM 0 HE21 GLN B 73 161.988 8.766 -0.684 1.00 1.89 H new ATOM 0 HE22 GLN B 73 161.250 10.366 -0.550 1.00 1.89 H new ATOM 2561 N SER B 74 157.268 6.138 -5.357 1.00 0.26 N ATOM 2562 CA SER B 74 155.903 5.715 -5.761 1.00 0.27 C ATOM 2563 C SER B 74 155.918 4.257 -6.226 1.00 0.26 C ATOM 2564 O SER B 74 155.004 3.506 -5.950 1.00 0.26 O ATOM 2565 CB SER B 74 155.404 6.605 -6.893 1.00 0.30 C ATOM 2566 OG SER B 74 155.402 7.959 -6.458 1.00 1.36 O ATOM 0 H SER B 74 157.691 6.856 -5.944 1.00 0.26 H new ATOM 0 HA SER B 74 155.237 5.808 -4.903 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.044 6.493 -7.769 1.00 0.30 H new ATOM 0 HB3 SER B 74 154.399 6.305 -7.192 1.00 0.30 H new ATOM 0 HG SER B 74 156.317 8.310 -6.476 1.00 1.36 H new ATOM 2572 N ARG B 75 156.941 3.840 -6.930 1.00 0.27 N ATOM 2573 CA ARG B 75 156.990 2.428 -7.397 1.00 0.27 C ATOM 2574 C ARG B 75 156.959 1.493 -6.192 1.00 0.26 C ATOM 2575 O ARG B 75 156.349 0.444 -6.236 1.00 0.26 O ATOM 2576 CB ARG B 75 158.260 2.190 -8.217 1.00 0.29 C ATOM 2577 CG ARG B 75 158.141 2.913 -9.561 1.00 0.32 C ATOM 2578 CD ARG B 75 159.459 2.791 -10.327 1.00 0.61 C ATOM 2579 NE ARG B 75 159.772 1.350 -10.545 1.00 1.35 N ATOM 2580 CZ ARG B 75 160.690 1.003 -11.405 1.00 1.82 C ATOM 2581 NH1 ARG B 75 161.328 1.917 -12.084 1.00 1.89 N ATOM 2582 NH2 ARG B 75 160.970 -0.258 -11.586 1.00 2.81 N ATOM 0 H ARG B 75 157.739 4.416 -7.198 1.00 0.27 H new ATOM 0 HA ARG B 75 156.125 2.227 -8.029 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.131 2.553 -7.672 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.407 1.122 -8.378 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.328 2.483 -10.146 1.00 0.32 H new ATOM 0 HG3 ARG B 75 157.898 3.963 -9.400 1.00 0.32 H new ATOM 0 HD2 ARG B 75 159.386 3.308 -11.284 1.00 0.61 H new ATOM 0 HD3 ARG B 75 160.263 3.269 -9.768 1.00 0.61 H new ATOM 0 HE ARG B 75 159.268 0.634 -10.021 1.00 1.35 H new ATOM 0 HH11 ARG B 75 161.109 2.903 -11.943 1.00 1.89 H new ATOM 0 HH12 ARG B 75 162.045 1.645 -12.756 1.00 1.89 H new ATOM 0 HH21 ARG B 75 160.471 -0.972 -11.055 1.00 2.81 H new ATOM 0 HH22 ARG B 75 161.687 -0.530 -12.258 1.00 2.81 H new ATOM 2596 N ASP B 76 157.619 1.836 -5.118 1.00 0.24 N ATOM 2597 CA ASP B 76 157.632 0.941 -3.930 1.00 0.24 C ATOM 2598 C ASP B 76 156.246 0.879 -3.292 1.00 0.22 C ATOM 2599 O ASP B 76 155.802 -0.169 -2.876 1.00 0.22 O ATOM 2600 CB ASP B 76 158.637 1.475 -2.906 1.00 0.23 C ATOM 2601 CG ASP B 76 160.061 1.276 -3.428 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.332 0.212 -3.959 1.00 0.40 O ATOM 2603 OD2 ASP B 76 160.857 2.190 -3.286 1.00 0.39 O ATOM 0 H ASP B 76 158.150 2.700 -5.014 1.00 0.24 H new ATOM 0 HA ASP B 76 157.918 -0.062 -4.247 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.453 2.533 -2.719 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.512 0.957 -1.955 1.00 0.23 H new ATOM 2608 N CYS B 77 155.547 1.977 -3.214 1.00 0.22 N ATOM 2609 CA CYS B 77 154.191 1.934 -2.602 1.00 0.21 C ATOM 2610 C CYS B 77 153.233 1.171 -3.520 1.00 0.22 C ATOM 2611 O CYS B 77 152.399 0.418 -3.065 1.00 0.21 O ATOM 2612 CB CYS B 77 153.678 3.361 -2.404 1.00 0.22 C ATOM 2613 SG CYS B 77 154.630 4.165 -1.091 1.00 0.23 S ATOM 0 H CYS B 77 155.852 2.893 -3.544 1.00 0.22 H new ATOM 0 HA CYS B 77 154.246 1.427 -1.638 1.00 0.21 H new ATOM 0 HB2 CYS B 77 153.770 3.925 -3.332 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.620 3.346 -2.144 1.00 0.22 H new ATOM 0 HG CYS B 77 155.321 3.272 -0.447 1.00 0.23 H new ATOM 2619 N PHE B 78 153.323 1.362 -4.806 1.00 0.23 N ATOM 2620 CA PHE B 78 152.384 0.645 -5.709 1.00 0.25 C ATOM 2621 C PHE B 78 152.525 -0.865 -5.509 1.00 0.24 C ATOM 2622 O PHE B 78 151.582 -1.545 -5.152 1.00 0.23 O ATOM 2623 CB PHE B 78 152.716 1.012 -7.158 1.00 0.28 C ATOM 2624 CG PHE B 78 151.798 0.277 -8.103 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.581 0.853 -8.490 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.169 -0.976 -8.603 1.00 0.38 C ATOM 2627 CE1 PHE B 78 149.737 0.174 -9.376 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.324 -1.655 -9.487 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.108 -1.080 -9.875 1.00 0.42 C ATOM 0 H PHE B 78 153.997 1.975 -5.265 1.00 0.23 H new ATOM 0 HA PHE B 78 151.358 0.934 -5.482 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.613 2.088 -7.302 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.754 0.759 -7.377 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.294 1.820 -8.105 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.108 -1.419 -8.306 1.00 0.38 H new ATOM 0 HE1 PHE B 78 148.799 0.618 -9.675 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.610 -2.623 -9.870 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.457 -1.604 -10.559 1.00 0.42 H new ATOM 2639 N GLY B 79 153.690 -1.396 -5.748 1.00 0.25 N ATOM 2640 CA GLY B 79 153.897 -2.864 -5.589 1.00 0.25 C ATOM 2641 C GLY B 79 153.724 -3.283 -4.123 1.00 0.23 C ATOM 2642 O GLY B 79 153.275 -4.371 -3.832 1.00 0.24 O ATOM 0 H GLY B 79 154.513 -0.874 -6.048 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.186 -3.406 -6.213 1.00 0.25 H new ATOM 0 HA3 GLY B 79 154.895 -3.135 -5.934 1.00 0.25 H new ATOM 2646 N CYS B 80 154.074 -2.438 -3.197 1.00 0.22 N ATOM 2647 CA CYS B 80 153.922 -2.819 -1.762 1.00 0.21 C ATOM 2648 C CYS B 80 152.442 -2.850 -1.384 1.00 0.21 C ATOM 2649 O CYS B 80 151.958 -3.812 -0.823 1.00 0.22 O ATOM 2650 CB CYS B 80 154.660 -1.813 -0.878 1.00 0.22 C ATOM 2651 SG CYS B 80 154.568 -2.347 0.850 1.00 0.24 S ATOM 0 H CYS B 80 154.456 -1.507 -3.366 1.00 0.22 H new ATOM 0 HA CYS B 80 154.349 -3.811 -1.611 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.701 -1.733 -1.190 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.218 -0.823 -0.988 1.00 0.22 H new ATOM 0 HG CYS B 80 155.503 -3.219 1.085 1.00 0.24 H new ATOM 2657 N LEU B 81 151.713 -1.821 -1.705 1.00 0.21 N ATOM 2658 CA LEU B 81 150.262 -1.834 -1.376 1.00 0.21 C ATOM 2659 C LEU B 81 149.560 -2.857 -2.276 1.00 0.21 C ATOM 2660 O LEU B 81 148.679 -3.575 -1.847 1.00 0.22 O ATOM 2661 CB LEU B 81 149.670 -0.442 -1.621 1.00 0.22 C ATOM 2662 CG LEU B 81 150.376 0.598 -0.738 1.00 0.24 C ATOM 2663 CD1 LEU B 81 149.779 1.980 -1.021 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.194 0.249 0.751 1.00 0.28 C ATOM 0 H LEU B 81 152.052 -0.982 -2.175 1.00 0.21 H new ATOM 0 HA LEU B 81 150.121 -2.104 -0.329 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.779 -0.172 -2.671 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.602 -0.450 -1.403 1.00 0.22 H new ATOM 0 HG LEU B 81 151.442 0.600 -0.966 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.274 2.725 -0.398 1.00 0.29 H new ATOM 0 HD12 LEU B 81 149.924 2.231 -2.072 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.713 1.969 -0.795 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.700 0.995 1.364 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.132 0.239 0.995 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.622 -0.734 0.949 1.00 0.28 H new ATOM 2676 N ARG B 82 149.940 -2.925 -3.523 1.00 0.22 N ATOM 2677 CA ARG B 82 149.285 -3.898 -4.445 1.00 0.24 C ATOM 2678 C ARG B 82 149.573 -5.332 -3.987 1.00 0.25 C ATOM 2679 O ARG B 82 148.717 -6.192 -4.042 1.00 0.26 O ATOM 2680 CB ARG B 82 149.791 -3.710 -5.877 1.00 0.28 C ATOM 2681 CG ARG B 82 148.913 -4.541 -6.822 1.00 0.32 C ATOM 2682 CD ARG B 82 149.439 -4.434 -8.257 1.00 0.85 C ATOM 2683 NE ARG B 82 148.353 -4.799 -9.228 1.00 1.42 N ATOM 2684 CZ ARG B 82 147.691 -5.925 -9.130 1.00 1.96 C ATOM 2685 NH1 ARG B 82 148.078 -6.858 -8.306 1.00 2.26 N ATOM 2686 NH2 ARG B 82 146.665 -6.138 -9.909 1.00 2.74 N ATOM 0 H ARG B 82 150.672 -2.352 -3.942 1.00 0.22 H new ATOM 0 HA ARG B 82 148.210 -3.718 -4.424 1.00 0.24 H new ATOM 0 HB2 ARG B 82 149.754 -2.657 -6.156 1.00 0.28 H new ATOM 0 HB3 ARG B 82 150.832 -4.024 -5.954 1.00 0.28 H new ATOM 0 HG2 ARG B 82 148.909 -5.584 -6.505 1.00 0.32 H new ATOM 0 HG3 ARG B 82 147.882 -4.190 -6.777 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.787 -3.419 -8.451 1.00 0.85 H new ATOM 0 HD3 ARG B 82 150.295 -5.095 -8.390 1.00 0.85 H new ATOM 0 HE ARG B 82 148.125 -4.153 -9.984 1.00 1.42 H new ATOM 0 HH11 ARG B 82 148.906 -6.716 -7.727 1.00 2.26 H new ATOM 0 HH12 ARG B 82 147.553 -7.730 -8.240 1.00 2.26 H new ATOM 0 HH21 ARG B 82 146.384 -5.430 -10.588 1.00 2.74 H new ATOM 0 HH22 ARG B 82 146.144 -7.012 -9.839 1.00 2.74 H new ATOM 2700 N GLU B 83 150.774 -5.602 -3.549 1.00 0.25 N ATOM 2701 CA GLU B 83 151.114 -6.985 -3.103 1.00 0.27 C ATOM 2702 C GLU B 83 150.368 -7.329 -1.814 1.00 0.27 C ATOM 2703 O GLU B 83 149.877 -8.430 -1.662 1.00 0.28 O ATOM 2704 CB GLU B 83 152.629 -7.113 -2.880 1.00 0.29 C ATOM 2705 CG GLU B 83 153.338 -7.261 -4.230 1.00 0.33 C ATOM 2706 CD GLU B 83 154.852 -7.277 -4.013 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.376 -8.338 -3.715 1.00 1.91 O ATOM 2708 OE2 GLU B 83 155.462 -6.230 -4.151 1.00 1.57 O ATOM 0 H GLU B 83 151.534 -4.925 -3.481 1.00 0.25 H new ATOM 0 HA GLU B 83 150.809 -7.684 -3.882 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.005 -6.235 -2.355 1.00 0.29 H new ATOM 0 HB3 GLU B 83 152.842 -7.976 -2.250 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.021 -8.181 -4.720 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.063 -6.438 -4.889 1.00 0.33 H new ATOM 2715 N TRP B 84 150.239 -6.413 -0.889 1.00 0.25 N ATOM 2716 CA TRP B 84 149.484 -6.736 0.351 1.00 0.25 C ATOM 2717 C TRP B 84 148.061 -7.108 -0.057 1.00 0.26 C ATOM 2718 O TRP B 84 147.483 -8.057 0.435 1.00 0.28 O ATOM 2719 CB TRP B 84 149.451 -5.519 1.278 1.00 0.25 C ATOM 2720 CG TRP B 84 148.705 -5.872 2.525 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.269 -6.378 3.646 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.276 -5.772 2.796 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.280 -6.591 4.588 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.036 -6.234 4.112 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.179 -5.329 2.037 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.752 -6.258 4.657 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.884 -5.351 2.581 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.671 -5.815 3.887 1.00 0.36 C ATOM 0 H TRP B 84 150.620 -5.468 -0.940 1.00 0.25 H new ATOM 0 HA TRP B 84 149.962 -7.560 0.882 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.466 -5.206 1.523 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.970 -4.678 0.778 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.321 -6.582 3.783 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.450 -6.966 5.521 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.333 -4.970 1.030 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.594 -6.615 5.664 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.048 -5.009 1.990 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.673 -5.830 4.299 1.00 0.36 H new ATOM 2739 N CYS B 85 147.493 -6.352 -0.959 1.00 0.27 N ATOM 2740 CA CYS B 85 146.104 -6.639 -1.410 1.00 0.30 C ATOM 2741 C CYS B 85 146.049 -8.024 -2.056 1.00 0.33 C ATOM 2742 O CYS B 85 145.115 -8.775 -1.863 1.00 0.36 O ATOM 2743 CB CYS B 85 145.679 -5.587 -2.439 1.00 0.33 C ATOM 2744 SG CYS B 85 145.334 -4.025 -1.596 1.00 0.33 S ATOM 0 H CYS B 85 147.934 -5.546 -1.403 1.00 0.27 H new ATOM 0 HA CYS B 85 145.432 -6.611 -0.552 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.467 -5.447 -3.179 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.794 -5.926 -2.977 1.00 0.33 H new ATOM 0 HG CYS B 85 146.447 -3.382 -1.402 1.00 0.33 H new ATOM 2750 N ASP B 86 147.047 -8.365 -2.818 1.00 0.34 N ATOM 2751 CA ASP B 86 147.061 -9.699 -3.476 1.00 0.40 C ATOM 2752 C ASP B 86 147.021 -10.788 -2.406 1.00 0.41 C ATOM 2753 O ASP B 86 146.484 -11.858 -2.612 1.00 0.43 O ATOM 2754 CB ASP B 86 148.335 -9.843 -4.314 1.00 0.42 C ATOM 2755 CG ASP B 86 148.247 -8.923 -5.535 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.192 -8.883 -6.146 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.234 -8.272 -5.835 1.00 0.52 O ATOM 0 H ASP B 86 147.856 -7.776 -3.014 1.00 0.34 H new ATOM 0 HA ASP B 86 146.192 -9.797 -4.126 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.209 -9.587 -3.714 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.459 -10.878 -4.633 1.00 0.42 H new ATOM 2762 N ALA B 87 147.599 -10.527 -1.263 1.00 0.40 N ATOM 2763 CA ALA B 87 147.612 -11.547 -0.175 1.00 0.43 C ATOM 2764 C ALA B 87 146.421 -11.343 0.771 1.00 0.43 C ATOM 2765 O ALA B 87 145.892 -12.289 1.317 1.00 0.47 O ATOM 2766 CB ALA B 87 148.912 -11.412 0.618 1.00 0.40 C ATOM 0 H ALA B 87 148.064 -9.648 -1.036 1.00 0.40 H new ATOM 0 HA ALA B 87 147.540 -12.540 -0.620 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.930 -12.154 1.416 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.761 -11.572 -0.046 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.973 -10.413 1.050 1.00 0.40 H new ATOM 2772 N PHE B 88 146.027 -10.111 1.008 1.00 0.39 N ATOM 2773 CA PHE B 88 144.902 -9.840 1.970 1.00 0.44 C ATOM 2774 C PHE B 88 143.605 -9.411 1.269 1.00 0.54 C ATOM 2775 O PHE B 88 142.582 -9.282 1.912 1.00 1.24 O ATOM 2776 CB PHE B 88 145.327 -8.728 2.935 1.00 0.41 C ATOM 2777 CG PHE B 88 146.396 -9.245 3.869 1.00 0.38 C ATOM 2778 CD1 PHE B 88 146.029 -9.930 5.033 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.751 -9.042 3.576 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.012 -10.410 5.905 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.736 -9.523 4.449 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.366 -10.205 5.613 1.00 0.44 C ATOM 0 H PHE B 88 146.435 -9.281 0.578 1.00 0.39 H new ATOM 0 HA PHE B 88 144.698 -10.772 2.497 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.703 -7.872 2.375 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.467 -8.382 3.508 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.985 -10.088 5.258 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.036 -8.515 2.678 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.727 -10.938 6.803 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.781 -9.367 4.223 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.125 -10.574 6.287 1.00 0.44 H new ATOM 2792 N LEU B 89 143.604 -9.190 -0.024 1.00 0.39 N ATOM 2793 CA LEU B 89 142.329 -8.772 -0.704 1.00 0.36 C ATOM 2794 C LEU B 89 141.638 -10.006 -1.288 1.00 0.87 C ATOM 2795 O LEU B 89 141.542 -10.995 -0.582 1.00 1.43 O ATOM 2796 CB LEU B 89 142.639 -7.770 -1.827 1.00 0.74 C ATOM 2797 CG LEU B 89 141.379 -6.948 -2.172 1.00 0.47 C ATOM 2798 CD1 LEU B 89 141.110 -5.875 -1.093 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.580 -6.267 -3.532 1.00 1.27 C ATOM 2800 OXT LEU B 89 141.216 -9.939 -2.431 1.00 1.67 O ATOM 0 H LEU B 89 144.417 -9.278 -0.634 1.00 0.39 H new ATOM 0 HA LEU B 89 141.671 -8.296 0.023 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.443 -7.103 -1.517 1.00 0.74 H new ATOM 0 HB3 LEU B 89 142.989 -8.302 -2.712 1.00 0.74 H new ATOM 0 HG LEU B 89 140.521 -7.620 -2.211 1.00 0.47 H new ATOM 0 HD11 LEU B 89 140.217 -5.308 -1.358 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.960 -6.359 -0.128 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.963 -5.200 -1.031 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.693 -5.684 -3.782 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.446 -5.607 -3.484 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.744 -7.025 -4.298 1.00 1.27 H new