USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1324 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 148 GLN : amide:sc= -0.0595 K(o=-0.06,f=-2.5!) USER MOD Set 2.1: A 69 TYR OH : rot 126:sc= 0.00338 USER MOD Set 2.2: A 70 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.0016) USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 MET CE :methyl -174:sc= -1.72! (180deg=-1.75) USER MOD Set 4.1: A 20 TYR OH : rot -124:sc= 0.171 USER MOD Set 4.2: A 22 CYS SG : rot -103:sc= 0.704 USER MOD Set 4.3: A 26 CYS SG : rot 120:sc= -0.741 USER MOD Set 5.1: A 8 SER OG : rot 120:sc= -1.3 USER MOD Set 5.2: A 10 TYR OH : rot 180:sc= -0.0289 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.89! C(o=-1.9!,f=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.398! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 36 CYS SG : rot 45:sc= -2.58 USER MOD Single : A 37 ASN : amide:sc= -6.02! K(o=-6!,f=-1.4) USER MOD Single : A 38 SER OG : rot 60:sc= 0.772 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 53 ASN : amide:sc= -0.718 X(o=-0.72,f=-0.36) USER MOD Single : A 55 SER OG : rot 42:sc= 0.157 USER MOD Single : A 57 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.16) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.042 K(o=-0.042,f=-0.69) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.016 USER MOD Single : A 76 ASN : amide:sc= -2.21! C(o=-2.2!,f=-10!) USER MOD Single : A 81 SER OG : rot -159:sc= 0.0594 USER MOD Single : A 82 CYS SG : rot -167:sc= 0.433! USER MOD Single : A 86 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-3.6!) USER MOD Single : A 88 SER OG : rot 30:sc= 0.786 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00268 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 0.00218 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -5.43! C(o=-5.4!,f=-3.4!) USER MOD Single : A 100 LYS NZ :NH3+ -121:sc= -0.937 (180deg=-1.7) USER MOD Single : A 104 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.9!) USER MOD Single : A 106 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.2) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 121:sc= -1.75! USER MOD Single : A 116 SER OG : rot 180:sc=0.000858 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.4) USER MOD Single : A 122 HIS : no HD1:sc= -0.773 X(o=-0.77,f=-0.39) USER MOD Single : A 127 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.13) USER MOD Single : A 128 SER OG : rot 4:sc= -2.28! USER MOD Single : A 129 CYS SG : rot 16:sc= 0.302 USER MOD Single : A 130 LYS NZ :NH3+ -117:sc= 2.03 (180deg=-0.516) USER MOD Single : A 139 TYR OH : rot 3:sc= -0.0953 USER MOD Single : A 143 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.36) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0075 USER MOD Single : A 149 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -161:sc= -0.0792 (180deg=-0.778) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.658 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 170 GLN : amide:sc= 0.232 X(o=0.23,f=-0.073) USER MOD Single : A 171 SER OG : rot -110:sc= -0.592! USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.314 -12.161 0.719 1.00 0.52 N ATOM 51 CA GLY A 4 -15.753 -11.482 1.976 1.00 0.30 C ATOM 52 C GLY A 4 -14.482 -11.249 2.795 1.00 0.41 C ATOM 53 O GLY A 4 -14.014 -12.110 3.512 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.254 -10.539 1.756 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.464 -12.100 2.525 1.00 0.30 H new ATOM 57 N GLY A 5 -13.914 -10.080 2.659 1.00 0.01 N ATOM 58 CA GLY A 5 -12.655 -9.763 3.391 1.00 0.01 C ATOM 59 C GLY A 5 -12.943 -9.419 4.855 1.00 0.01 C ATOM 60 O GLY A 5 -13.969 -8.857 5.186 1.00 0.01 O ATOM 0 H GLY A 5 -14.271 -9.328 2.069 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -11.977 -10.615 3.341 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.151 -8.925 2.909 1.00 0.01 H new ATOM 64 N LYS A 6 -12.028 -9.748 5.728 1.00 0.00 N ATOM 65 CA LYS A 6 -12.207 -9.444 7.176 1.00 0.01 C ATOM 66 C LYS A 6 -10.825 -9.315 7.817 1.00 0.01 C ATOM 67 O LYS A 6 -9.924 -10.091 7.533 1.00 0.00 O ATOM 68 CB LYS A 6 -12.999 -10.566 7.861 1.00 0.02 C ATOM 69 CG LYS A 6 -13.490 -10.100 9.239 1.00 0.02 C ATOM 70 CD LYS A 6 -14.579 -11.049 9.748 1.00 0.02 C ATOM 71 CE LYS A 6 -13.978 -12.429 10.013 1.00 0.02 C ATOM 72 NZ LYS A 6 -14.928 -13.232 10.833 1.00 0.02 N ATOM 0 H LYS A 6 -11.154 -10.220 5.495 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.763 -8.513 7.292 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.849 -10.852 7.241 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.371 -11.450 7.970 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.658 -10.075 9.943 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.881 -9.085 9.172 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.022 -10.653 10.662 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.380 -11.126 9.013 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -13.775 -12.937 9.070 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -13.025 -12.329 10.533 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -14.521 -14.172 11.015 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.100 -12.749 11.738 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -15.827 -13.337 10.320 1.00 0.02 H new ATOM 86 N ILE A 7 -10.662 -8.342 8.686 1.00 0.02 N ATOM 87 CA ILE A 7 -9.350 -8.132 9.376 1.00 0.00 C ATOM 88 C ILE A 7 -9.576 -8.003 10.889 1.00 0.02 C ATOM 89 O ILE A 7 -10.525 -7.388 11.337 1.00 0.01 O ATOM 90 CB ILE A 7 -8.668 -6.884 8.811 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.438 -6.541 9.657 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.641 -5.709 8.830 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.574 -5.512 8.920 1.00 0.02 C ATOM 0 H ILE A 7 -11.391 -7.679 8.948 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.698 -8.988 9.201 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.360 -7.080 7.784 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.749 -6.144 10.623 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.858 -7.442 9.855 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.150 -4.823 8.427 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.513 -5.949 8.222 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -9.956 -5.514 9.855 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.700 -5.271 9.525 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.251 -5.926 7.965 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.156 -4.607 8.745 1.00 0.02 H new ATOM 105 N SER A 8 -8.694 -8.576 11.679 1.00 0.02 N ATOM 106 CA SER A 8 -8.821 -8.493 13.171 1.00 0.02 C ATOM 107 C SER A 8 -7.562 -7.848 13.764 1.00 0.01 C ATOM 108 O SER A 8 -6.454 -8.251 13.481 1.00 0.02 O ATOM 109 CB SER A 8 -9.009 -9.895 13.758 1.00 0.30 C ATOM 110 OG SER A 8 -9.697 -9.791 14.996 1.00 0.39 O ATOM 0 H SER A 8 -7.885 -9.102 11.349 1.00 0.02 H new ATOM 0 HA SER A 8 -9.689 -7.883 13.420 1.00 0.02 H new ATOM 0 HB2 SER A 8 -9.573 -10.520 13.066 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.041 -10.374 13.905 1.00 0.30 H new ATOM 0 HG SER A 8 -10.538 -10.292 14.946 1.00 0.39 H new ATOM 116 N PHE A 9 -7.740 -6.855 14.603 1.00 0.02 N ATOM 117 CA PHE A 9 -6.579 -6.167 15.253 1.00 0.01 C ATOM 118 C PHE A 9 -6.551 -6.541 16.740 1.00 0.01 C ATOM 119 O PHE A 9 -7.582 -6.611 17.376 1.00 0.02 O ATOM 120 CB PHE A 9 -6.760 -4.650 15.139 1.00 0.02 C ATOM 121 CG PHE A 9 -7.041 -4.253 13.711 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.331 -4.396 13.190 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.018 -3.725 12.915 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.600 -4.013 11.872 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.286 -3.345 11.595 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.577 -3.487 11.073 1.00 0.02 C ATOM 0 H PHE A 9 -8.654 -6.487 14.868 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.653 -6.471 14.765 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.581 -4.327 15.780 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.862 -4.144 15.493 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.120 -4.802 13.806 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.023 -3.611 13.319 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.597 -4.123 11.470 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.496 -2.942 10.979 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.784 -3.191 10.055 1.00 0.02 H new ATOM 136 N TYR A 10 -5.384 -6.788 17.299 1.00 0.02 N ATOM 137 CA TYR A 10 -5.292 -7.168 18.749 1.00 0.01 C ATOM 138 C TYR A 10 -4.381 -6.179 19.487 1.00 0.02 C ATOM 139 O TYR A 10 -3.361 -5.745 18.976 1.00 0.01 O ATOM 140 CB TYR A 10 -4.696 -8.573 18.876 1.00 0.02 C ATOM 141 CG TYR A 10 -5.441 -9.542 17.981 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.276 -9.482 16.592 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.287 -10.509 18.542 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.957 -10.384 15.765 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.967 -11.411 17.715 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.801 -11.349 16.327 1.00 0.00 C ATOM 147 OH TYR A 10 -7.473 -12.237 15.513 1.00 0.02 O ATOM 0 H TYR A 10 -4.490 -6.742 16.811 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.291 -7.147 19.184 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.641 -8.554 18.604 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.752 -8.907 19.912 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.623 -8.739 16.158 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.414 -10.558 19.613 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.831 -10.335 14.693 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.620 -12.155 18.148 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.015 -12.840 16.064 1.00 0.02 H new ATOM 157 N GLU A 11 -4.766 -5.785 20.676 1.00 0.00 N ATOM 158 CA GLU A 11 -3.952 -4.790 21.435 1.00 0.02 C ATOM 159 C GLU A 11 -2.618 -5.383 21.893 1.00 0.03 C ATOM 160 O GLU A 11 -1.658 -4.657 22.070 1.00 0.03 O ATOM 161 CB GLU A 11 -4.733 -4.331 22.671 1.00 0.00 C ATOM 162 CG GLU A 11 -5.855 -3.384 22.254 1.00 0.00 C ATOM 163 CD GLU A 11 -6.717 -3.044 23.470 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.715 -3.822 24.410 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.364 -2.011 23.440 1.00 0.01 O ATOM 0 H GLU A 11 -5.608 -6.110 21.152 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.748 -3.951 20.770 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.148 -5.194 23.191 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.063 -3.830 23.370 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.436 -2.473 21.827 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.467 -3.847 21.480 1.00 0.00 H new ATOM 172 N ASP A 12 -2.532 -6.678 22.102 1.00 0.02 N ATOM 173 CA ASP A 12 -1.239 -7.282 22.565 1.00 0.01 C ATOM 174 C ASP A 12 -0.670 -8.219 21.497 1.00 0.02 C ATOM 175 O ASP A 12 -1.307 -8.536 20.512 1.00 0.02 O ATOM 176 CB ASP A 12 -1.475 -8.082 23.845 1.00 0.01 C ATOM 177 CG ASP A 12 -2.205 -7.210 24.869 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.994 -6.376 24.454 1.00 0.02 O ATOM 179 OD2 ASP A 12 -1.965 -7.392 26.050 1.00 0.03 O ATOM 0 H ASP A 12 -3.297 -7.340 21.973 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.530 -6.475 22.750 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.064 -8.973 23.626 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.523 -8.422 24.254 1.00 0.01 H new ATOM 184 N ARG A 13 0.542 -8.647 21.705 1.00 0.02 N ATOM 185 CA ARG A 13 1.220 -9.558 20.738 1.00 0.02 C ATOM 186 C ARG A 13 0.643 -10.975 20.852 1.00 0.00 C ATOM 187 O ARG A 13 0.093 -11.362 21.864 1.00 0.02 O ATOM 188 CB ARG A 13 2.711 -9.590 21.085 1.00 0.00 C ATOM 189 CG ARG A 13 3.383 -8.303 20.606 1.00 0.01 C ATOM 190 CD ARG A 13 4.831 -8.274 21.099 1.00 0.02 C ATOM 191 NE ARG A 13 4.852 -8.407 22.583 1.00 0.03 N ATOM 192 CZ ARG A 13 5.962 -8.708 23.194 1.00 0.02 C ATOM 193 NH1 ARG A 13 7.054 -8.892 22.506 1.00 0.02 N ATOM 194 NH2 ARG A 13 5.981 -8.826 24.493 1.00 0.02 N ATOM 0 H ARG A 13 1.104 -8.400 22.520 1.00 0.02 H new ATOM 0 HA ARG A 13 1.067 -9.200 19.720 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.841 -9.700 22.162 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.184 -10.454 20.617 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.356 -8.249 19.518 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.841 -7.435 20.982 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.398 -9.085 20.642 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.310 -7.342 20.800 1.00 0.02 H new ATOM 0 HE ARG A 13 3.997 -8.262 23.120 1.00 0.03 H new ATOM 0 HH11 ARG A 13 7.038 -8.800 21.490 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.924 -9.128 22.983 1.00 0.02 H new ATOM 0 HH21 ARG A 13 5.126 -8.683 25.031 1.00 0.02 H new ATOM 0 HH22 ARG A 13 6.851 -9.062 24.971 1.00 0.02 H new ATOM 208 N ASN A 14 0.788 -11.752 19.808 1.00 0.02 N ATOM 209 CA ASN A 14 0.283 -13.157 19.811 1.00 0.02 C ATOM 210 C ASN A 14 -1.246 -13.189 19.895 1.00 0.02 C ATOM 211 O ASN A 14 -1.837 -14.051 20.515 1.00 0.02 O ATOM 212 CB ASN A 14 0.908 -13.913 20.986 1.00 0.26 C ATOM 213 CG ASN A 14 2.363 -13.479 21.157 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.933 -12.862 20.279 1.00 0.74 O ATOM 215 ND2 ASN A 14 2.993 -13.773 22.262 1.00 0.46 N ATOM 0 H ASN A 14 1.242 -11.466 18.941 1.00 0.02 H new ATOM 0 HA ASN A 14 0.569 -13.642 18.878 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.348 -13.713 21.900 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.856 -14.987 20.809 1.00 0.26 H new ATOM 0 HD21 ASN A 14 3.963 -13.485 22.388 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.515 -14.291 22.999 1.00 0.46 H new ATOM 222 N PHE A 15 -1.867 -12.225 19.262 1.00 0.02 N ATOM 223 CA PHE A 15 -3.360 -12.110 19.232 1.00 0.02 C ATOM 224 C PHE A 15 -3.952 -12.215 20.636 1.00 0.00 C ATOM 225 O PHE A 15 -4.938 -12.887 20.864 1.00 0.02 O ATOM 226 CB PHE A 15 -3.985 -13.170 18.305 1.00 0.02 C ATOM 227 CG PHE A 15 -3.367 -14.526 18.537 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.232 -14.911 17.811 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.926 -15.401 19.476 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.657 -16.169 18.025 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.349 -16.658 19.690 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.216 -17.043 18.966 1.00 0.02 C ATOM 0 H PHE A 15 -1.385 -11.488 18.747 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.601 -11.125 18.833 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.060 -13.222 18.479 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.845 -12.876 17.265 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.801 -14.237 17.086 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.802 -15.106 20.035 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.783 -16.466 17.465 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.780 -17.332 20.416 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.772 -18.014 19.132 1.00 0.02 H new ATOM 242 N GLN A 16 -3.358 -11.520 21.568 1.00 0.02 N ATOM 243 CA GLN A 16 -3.862 -11.513 22.974 1.00 0.02 C ATOM 244 C GLN A 16 -4.395 -10.110 23.281 1.00 0.02 C ATOM 245 O GLN A 16 -4.152 -9.176 22.541 1.00 0.02 O ATOM 246 CB GLN A 16 -2.709 -11.833 23.929 1.00 0.02 C ATOM 247 CG GLN A 16 -2.416 -13.333 23.891 1.00 0.00 C ATOM 248 CD GLN A 16 -1.248 -13.648 24.826 1.00 0.00 C ATOM 249 OE1 GLN A 16 -1.435 -14.243 25.868 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.042 -13.266 24.499 1.00 0.02 N ATOM 0 H GLN A 16 -2.529 -10.946 21.412 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.649 -12.257 23.098 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.820 -11.271 23.644 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.967 -11.528 24.943 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.300 -13.895 24.194 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.175 -13.642 22.874 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.115 -12.766 23.624 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.742 -13.468 25.119 1.00 0.02 H new ATOM 259 N GLY A 17 -5.119 -9.943 24.355 1.00 0.03 N ATOM 260 CA GLY A 17 -5.651 -8.586 24.687 1.00 0.03 C ATOM 261 C GLY A 17 -7.012 -8.361 24.018 1.00 0.02 C ATOM 262 O GLY A 17 -7.621 -9.275 23.498 1.00 0.02 O ATOM 0 H GLY A 17 -5.365 -10.681 25.014 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.749 -8.483 25.768 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.947 -7.823 24.357 1.00 0.03 H new ATOM 266 N ARG A 18 -7.483 -7.142 24.017 1.00 0.00 N ATOM 267 CA ARG A 18 -8.796 -6.836 23.374 1.00 0.02 C ATOM 268 C ARG A 18 -8.654 -6.968 21.856 1.00 0.02 C ATOM 269 O ARG A 18 -7.624 -6.656 21.291 1.00 0.02 O ATOM 270 CB ARG A 18 -9.218 -5.407 23.741 1.00 0.79 C ATOM 271 CG ARG A 18 -10.727 -5.247 23.540 1.00 1.49 C ATOM 272 CD ARG A 18 -11.101 -3.762 23.579 1.00 1.42 C ATOM 273 NE ARG A 18 -10.567 -3.145 24.824 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.502 -1.846 24.932 1.00 2.35 C ATOM 275 NH1 ARG A 18 -10.900 -1.089 23.946 1.00 2.53 N ATOM 276 NH2 ARG A 18 -10.038 -1.304 26.026 1.00 2.76 N ATOM 0 H ARG A 18 -7.012 -6.340 24.436 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.556 -7.534 23.725 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -8.955 -5.195 24.777 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.681 -4.689 23.122 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -11.024 -5.681 22.585 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.266 -5.788 24.318 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -10.696 -3.252 22.705 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -12.184 -3.648 23.541 1.00 1.42 H new ATOM 0 HE ARG A 18 -10.252 -3.737 25.592 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -11.262 -1.513 23.092 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -10.849 -0.074 24.030 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -9.726 -1.896 26.796 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.987 -0.289 26.110 1.00 2.76 H new ATOM 290 N ARG A 19 -9.679 -7.453 21.197 1.00 0.02 N ATOM 291 CA ARG A 19 -9.620 -7.644 19.713 1.00 0.02 C ATOM 292 C ARG A 19 -10.712 -6.824 19.021 1.00 0.02 C ATOM 293 O ARG A 19 -11.784 -6.608 19.554 1.00 0.02 O ATOM 294 CB ARG A 19 -9.850 -9.127 19.417 1.00 0.85 C ATOM 295 CG ARG A 19 -9.566 -9.418 17.942 1.00 1.31 C ATOM 296 CD ARG A 19 -10.026 -10.845 17.603 1.00 1.34 C ATOM 297 NE ARG A 19 -9.888 -11.721 18.802 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.505 -12.869 18.844 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.254 -13.244 17.842 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.379 -13.640 19.890 1.00 1.89 N ATOM 0 H ARG A 19 -10.562 -7.727 21.628 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.650 -7.315 19.342 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.202 -9.736 20.047 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.878 -9.399 19.658 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.087 -8.697 17.311 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.501 -9.310 17.738 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.063 -10.832 17.269 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.431 -11.243 16.781 1.00 1.34 H new ATOM 0 HE ARG A 19 -9.311 -11.422 19.589 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -11.356 -12.639 17.027 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.737 -14.142 17.874 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -9.798 -13.344 20.674 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.862 -14.538 19.923 1.00 1.89 H new ATOM 314 N TYR A 20 -10.441 -6.383 17.819 1.00 0.02 N ATOM 315 CA TYR A 20 -11.439 -5.589 17.038 1.00 0.02 C ATOM 316 C TYR A 20 -11.514 -6.178 15.625 1.00 0.02 C ATOM 317 O TYR A 20 -10.511 -6.333 14.957 1.00 0.02 O ATOM 318 CB TYR A 20 -10.993 -4.121 16.972 1.00 0.02 C ATOM 319 CG TYR A 20 -11.824 -3.373 15.948 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.210 -3.265 16.118 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.211 -2.793 14.828 1.00 0.01 C ATOM 322 CE1 TYR A 20 -13.981 -2.580 15.171 1.00 0.02 C ATOM 323 CE2 TYR A 20 -11.982 -2.109 13.882 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.366 -2.001 14.054 1.00 0.02 C ATOM 325 OH TYR A 20 -14.127 -1.329 13.121 1.00 0.01 O ATOM 0 H TYR A 20 -9.556 -6.542 17.338 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.418 -5.633 17.515 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.101 -3.655 17.951 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -9.937 -4.065 16.707 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.684 -3.710 16.980 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.142 -2.874 14.696 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.050 -2.498 15.302 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.509 -1.664 13.019 1.00 0.02 H new ATOM 0 HH TYR A 20 -13.973 -1.715 12.234 1.00 0.01 H new ATOM 335 N ASP A 21 -12.696 -6.513 15.170 1.00 0.01 N ATOM 336 CA ASP A 21 -12.862 -7.107 13.805 1.00 0.02 C ATOM 337 C ASP A 21 -13.600 -6.124 12.899 1.00 0.00 C ATOM 338 O ASP A 21 -14.564 -5.499 13.297 1.00 0.01 O ATOM 339 CB ASP A 21 -13.680 -8.394 13.920 1.00 0.12 C ATOM 340 CG ASP A 21 -13.603 -9.166 12.601 1.00 0.41 C ATOM 341 OD1 ASP A 21 -13.831 -8.559 11.567 1.00 1.12 O ATOM 342 OD2 ASP A 21 -13.315 -10.350 12.648 1.00 0.56 O ATOM 0 H ASP A 21 -13.565 -6.399 15.692 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.881 -7.322 13.380 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -13.299 -9.008 14.736 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.718 -8.158 14.156 1.00 0.12 H new ATOM 347 N CYS A 22 -13.141 -5.979 11.678 1.00 0.01 N ATOM 348 CA CYS A 22 -13.796 -5.032 10.720 1.00 0.00 C ATOM 349 C CYS A 22 -14.052 -5.744 9.392 1.00 0.02 C ATOM 350 O CYS A 22 -13.221 -6.486 8.897 1.00 0.01 O ATOM 351 CB CYS A 22 -12.878 -3.827 10.506 1.00 0.00 C ATOM 352 SG CYS A 22 -13.820 -2.471 9.764 1.00 0.02 S ATOM 0 H CYS A 22 -12.336 -6.479 11.302 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.749 -4.692 11.125 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.451 -3.509 11.457 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.045 -4.102 9.859 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.539 -2.389 8.497 1.00 0.02 H new ATOM 358 N ASP A 23 -15.210 -5.521 8.817 1.00 0.01 N ATOM 359 CA ASP A 23 -15.571 -6.173 7.517 1.00 0.02 C ATOM 360 C ASP A 23 -15.764 -5.103 6.442 1.00 0.00 C ATOM 361 O ASP A 23 -16.230 -5.378 5.354 1.00 0.02 O ATOM 362 CB ASP A 23 -16.870 -6.960 7.692 1.00 0.16 C ATOM 363 CG ASP A 23 -16.783 -7.805 8.963 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.739 -7.224 10.037 1.00 0.17 O ATOM 365 OD2 ASP A 23 -16.757 -9.019 8.843 1.00 0.20 O ATOM 0 H ASP A 23 -15.930 -4.907 9.198 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.771 -6.848 7.213 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.717 -6.277 7.753 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.040 -7.601 6.827 1.00 0.16 H new ATOM 370 N CYS A 24 -15.393 -3.887 6.734 1.00 0.01 N ATOM 371 CA CYS A 24 -15.535 -2.796 5.732 1.00 0.01 C ATOM 372 C CYS A 24 -14.565 -1.677 6.107 1.00 0.01 C ATOM 373 O CYS A 24 -13.919 -1.735 7.132 1.00 0.01 O ATOM 374 CB CYS A 24 -16.968 -2.266 5.740 1.00 0.62 C ATOM 375 SG CYS A 24 -17.115 -0.909 4.553 1.00 1.23 S ATOM 0 H CYS A 24 -14.995 -3.602 7.629 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.311 -3.170 4.733 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.664 -3.065 5.484 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.234 -1.920 6.739 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.335 -0.459 4.557 1.00 1.23 H new ATOM 381 N ASP A 25 -14.432 -0.668 5.296 1.00 0.02 N ATOM 382 CA ASP A 25 -13.479 0.426 5.633 1.00 0.01 C ATOM 383 C ASP A 25 -13.888 1.111 6.938 1.00 0.02 C ATOM 384 O ASP A 25 -15.056 1.282 7.225 1.00 0.00 O ATOM 385 CB ASP A 25 -13.479 1.461 4.507 1.00 0.01 C ATOM 386 CG ASP A 25 -12.737 0.895 3.294 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.842 -0.298 3.064 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.076 1.664 2.617 1.00 0.01 O ATOM 0 H ASP A 25 -14.938 -0.552 4.418 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.484 -0.002 5.753 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -14.503 1.717 4.234 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.000 2.380 4.844 1.00 0.01 H new ATOM 393 N CYS A 26 -12.921 1.529 7.718 1.00 0.01 N ATOM 394 CA CYS A 26 -13.218 2.240 9.002 1.00 0.01 C ATOM 395 C CYS A 26 -12.347 3.499 9.076 1.00 0.01 C ATOM 396 O CYS A 26 -11.132 3.423 9.085 1.00 0.01 O ATOM 397 CB CYS A 26 -12.912 1.324 10.191 1.00 0.01 C ATOM 398 SG CYS A 26 -13.544 2.075 11.711 1.00 0.02 S ATOM 0 H CYS A 26 -11.928 1.407 7.518 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.272 2.514 9.038 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.370 0.347 10.038 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.837 1.163 10.272 1.00 0.01 H new ATOM 0 HG CYS A 26 -14.420 1.283 12.255 1.00 0.02 H new ATOM 404 N ALA A 27 -12.960 4.656 9.090 1.00 0.01 N ATOM 405 CA ALA A 27 -12.169 5.922 9.117 1.00 0.01 C ATOM 406 C ALA A 27 -11.600 6.171 10.511 1.00 0.01 C ATOM 407 O ALA A 27 -10.618 6.869 10.672 1.00 0.02 O ATOM 408 CB ALA A 27 -13.067 7.094 8.713 1.00 0.24 C ATOM 0 H ALA A 27 -13.973 4.778 9.084 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.341 5.832 8.414 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.490 8.018 8.733 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.452 6.928 7.707 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.900 7.172 9.412 1.00 0.24 H new ATOM 414 N ASP A 28 -12.205 5.610 11.520 1.00 0.01 N ATOM 415 CA ASP A 28 -11.693 5.810 12.906 1.00 0.02 C ATOM 416 C ASP A 28 -12.150 4.632 13.766 1.00 0.01 C ATOM 417 O ASP A 28 -13.285 4.573 14.197 1.00 0.02 O ATOM 418 CB ASP A 28 -12.250 7.114 13.479 1.00 0.67 C ATOM 419 CG ASP A 28 -11.521 7.450 14.782 1.00 0.90 C ATOM 420 OD1 ASP A 28 -11.557 6.630 15.686 1.00 0.87 O ATOM 421 OD2 ASP A 28 -10.937 8.519 14.851 1.00 1.14 O ATOM 0 H ASP A 28 -13.034 5.020 11.445 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.604 5.866 12.898 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.124 7.923 12.760 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.320 7.015 13.663 1.00 0.67 H new ATOM 426 N PHE A 29 -11.269 3.698 14.025 1.00 0.02 N ATOM 427 CA PHE A 29 -11.632 2.510 14.869 1.00 0.02 C ATOM 428 C PHE A 29 -11.022 2.660 16.267 1.00 0.00 C ATOM 429 O PHE A 29 -10.995 1.744 17.067 1.00 0.02 O ATOM 430 CB PHE A 29 -11.167 1.212 14.189 1.00 2.87 C ATOM 431 CG PHE A 29 -9.684 0.993 14.375 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.772 1.732 13.619 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.224 0.031 15.286 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.399 1.515 13.771 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.849 -0.184 15.438 1.00 5.75 C ATOM 436 CZ PHE A 29 -6.939 0.558 14.681 1.00 6.37 C ATOM 0 H PHE A 29 -10.307 3.705 13.687 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.716 2.459 14.975 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.716 0.366 14.603 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.400 1.253 13.125 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.127 2.472 12.917 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.929 -0.543 15.869 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -6.694 2.086 13.186 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.492 -0.923 16.140 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.878 0.392 14.799 1.00 6.37 H new ATOM 446 N ARG A 30 -10.503 3.825 16.546 1.00 0.01 N ATOM 447 CA ARG A 30 -9.867 4.079 17.868 1.00 0.00 C ATOM 448 C ARG A 30 -10.877 3.875 19.004 1.00 0.01 C ATOM 449 O ARG A 30 -10.502 3.632 20.134 1.00 0.02 O ATOM 450 CB ARG A 30 -9.348 5.518 17.915 1.00 0.32 C ATOM 451 CG ARG A 30 -8.147 5.658 16.975 1.00 0.86 C ATOM 452 CD ARG A 30 -7.511 7.038 17.160 1.00 1.62 C ATOM 453 NE ARG A 30 -6.980 7.154 18.547 1.00 2.25 N ATOM 454 CZ ARG A 30 -6.144 8.106 18.849 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.769 8.962 17.937 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.678 8.203 20.063 1.00 3.02 N ATOM 0 H ARG A 30 -10.493 4.619 15.906 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.043 3.377 17.997 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.137 6.210 17.620 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.059 5.779 18.933 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.415 4.878 17.184 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.465 5.528 15.940 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.707 7.180 16.438 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -8.249 7.819 16.974 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.272 6.487 19.261 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.131 8.886 16.986 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.114 9.707 18.175 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -5.968 7.533 20.776 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -5.023 8.948 20.300 1.00 3.02 H new ATOM 470 N SER A 31 -12.153 3.987 18.733 1.00 0.02 N ATOM 471 CA SER A 31 -13.164 3.818 19.816 1.00 0.02 C ATOM 472 C SER A 31 -13.321 2.338 20.172 1.00 0.01 C ATOM 473 O SER A 31 -13.864 1.995 21.202 1.00 0.02 O ATOM 474 CB SER A 31 -14.509 4.365 19.337 1.00 0.37 C ATOM 475 OG SER A 31 -14.308 5.634 18.731 1.00 0.88 O ATOM 0 H SER A 31 -12.536 4.188 17.809 1.00 0.02 H new ATOM 0 HA SER A 31 -12.831 4.361 20.700 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.962 3.676 18.624 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.198 4.455 20.176 1.00 0.37 H new ATOM 0 HG SER A 31 -15.167 5.988 18.421 1.00 0.88 H new ATOM 481 N TYR A 32 -12.860 1.461 19.321 1.00 0.01 N ATOM 482 CA TYR A 32 -12.989 -0.003 19.595 1.00 0.01 C ATOM 483 C TYR A 32 -11.641 -0.542 20.060 1.00 0.02 C ATOM 484 O TYR A 32 -11.553 -1.576 20.692 1.00 0.02 O ATOM 485 CB TYR A 32 -13.396 -0.714 18.304 1.00 0.02 C ATOM 486 CG TYR A 32 -14.757 -0.227 17.862 1.00 0.02 C ATOM 487 CD1 TYR A 32 -14.863 0.884 17.016 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.912 -0.888 18.295 1.00 0.01 C ATOM 489 CE1 TYR A 32 -16.123 1.334 16.605 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.172 -0.439 17.883 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.277 0.672 17.038 1.00 0.02 C ATOM 492 OH TYR A 32 -18.519 1.117 16.632 1.00 0.02 O ATOM 0 H TYR A 32 -12.397 1.695 18.443 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.740 -0.174 20.366 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.659 -0.522 17.524 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.419 -1.792 18.463 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -13.972 1.394 16.681 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.831 -1.745 18.947 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -16.204 2.192 15.954 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.063 -0.950 18.217 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.214 0.546 17.021 1.00 0.02 H new ATOM 502 N LEU A 33 -10.584 0.154 19.742 1.00 0.02 N ATOM 503 CA LEU A 33 -9.223 -0.307 20.151 1.00 0.02 C ATOM 504 C LEU A 33 -8.322 0.922 20.352 1.00 0.02 C ATOM 505 O LEU A 33 -8.232 1.792 19.511 1.00 0.02 O ATOM 506 CB LEU A 33 -8.653 -1.195 19.023 1.00 1.66 C ATOM 507 CG LEU A 33 -7.841 -2.365 19.612 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.762 -3.319 20.407 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.160 -3.136 18.471 1.00 2.80 C ATOM 0 H LEU A 33 -10.603 1.027 19.214 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.270 -0.875 21.080 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.468 -1.582 18.411 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.018 -0.598 18.368 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.087 -1.966 20.290 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.171 -4.139 20.815 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.236 -2.772 21.222 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.529 -3.720 19.745 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.585 -3.964 18.884 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.918 -3.524 17.791 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.493 -2.467 17.927 1.00 2.80 H new ATOM 521 N SER A 34 -7.674 0.992 21.485 1.00 0.02 N ATOM 522 CA SER A 34 -6.791 2.157 21.786 1.00 0.02 C ATOM 523 C SER A 34 -5.399 1.940 21.186 1.00 0.00 C ATOM 524 O SER A 34 -4.583 2.840 21.148 1.00 0.01 O ATOM 525 CB SER A 34 -6.673 2.315 23.305 1.00 0.02 C ATOM 526 OG SER A 34 -6.430 1.043 23.891 1.00 0.02 O ATOM 0 H SER A 34 -7.719 0.286 22.220 1.00 0.02 H new ATOM 0 HA SER A 34 -7.224 3.057 21.349 1.00 0.02 H new ATOM 0 HB2 SER A 34 -5.862 3.002 23.549 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.589 2.746 23.710 1.00 0.02 H new ATOM 0 HG SER A 34 -6.352 1.140 24.863 1.00 0.02 H new ATOM 532 N ARG A 35 -5.121 0.758 20.710 1.00 0.02 N ATOM 533 CA ARG A 35 -3.792 0.467 20.102 1.00 0.01 C ATOM 534 C ARG A 35 -3.867 -0.920 19.462 1.00 0.02 C ATOM 535 O ARG A 35 -4.755 -1.694 19.752 1.00 0.02 O ATOM 536 CB ARG A 35 -2.709 0.481 21.184 1.00 0.02 C ATOM 537 CG ARG A 35 -3.156 -0.376 22.367 1.00 0.02 C ATOM 538 CD ARG A 35 -2.078 -0.340 23.450 1.00 0.02 C ATOM 539 NE ARG A 35 -2.626 -0.902 24.716 1.00 0.02 N ATOM 540 CZ ARG A 35 -1.819 -1.236 25.684 1.00 0.02 C ATOM 541 NH1 ARG A 35 -0.533 -1.074 25.546 1.00 0.00 N ATOM 542 NH2 ARG A 35 -2.299 -1.730 26.793 1.00 0.02 N ATOM 0 H ARG A 35 -5.768 -0.030 20.717 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.542 1.220 19.355 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -1.771 0.100 20.779 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.522 1.503 21.513 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -4.100 -0.004 22.765 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -3.329 -1.402 22.043 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -1.208 -0.914 23.131 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -1.742 0.685 23.610 1.00 0.02 H new ATOM 0 HE ARG A 35 -3.633 -1.026 24.826 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -0.158 -0.686 24.681 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.098 -1.335 26.303 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.305 -1.855 26.902 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -1.668 -1.991 27.550 1.00 0.02 H new ATOM 556 N CYS A 36 -2.947 -1.250 18.594 1.00 0.02 N ATOM 557 CA CYS A 36 -2.968 -2.595 17.940 1.00 0.02 C ATOM 558 C CYS A 36 -1.527 -3.097 17.805 1.00 0.02 C ATOM 559 O CYS A 36 -0.736 -2.500 17.101 1.00 0.02 O ATOM 560 CB CYS A 36 -3.601 -2.465 16.549 1.00 0.02 C ATOM 561 SG CYS A 36 -3.194 -3.919 15.551 1.00 0.02 S ATOM 0 H CYS A 36 -2.178 -0.644 18.308 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.549 -3.298 18.537 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.683 -2.366 16.640 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.238 -1.562 16.057 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.354 -4.994 16.265 1.00 0.02 H new ATOM 567 N ASN A 37 -1.160 -4.166 18.480 1.00 0.02 N ATOM 568 CA ASN A 37 0.253 -4.663 18.389 1.00 0.01 C ATOM 569 C ASN A 37 0.318 -5.956 17.572 1.00 0.02 C ATOM 570 O ASN A 37 1.380 -6.488 17.313 1.00 0.02 O ATOM 571 CB ASN A 37 0.804 -4.928 19.793 1.00 0.02 C ATOM 572 CG ASN A 37 0.786 -3.631 20.604 1.00 0.01 C ATOM 573 OD1 ASN A 37 1.760 -3.287 21.244 1.00 0.03 O ATOM 574 ND2 ASN A 37 -0.287 -2.890 20.604 1.00 0.02 N ATOM 0 H ASN A 37 -1.774 -4.711 19.085 1.00 0.02 H new ATOM 0 HA ASN A 37 0.853 -3.899 17.895 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.205 -5.689 20.292 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.821 -5.315 19.729 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -0.308 -2.023 21.141 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -1.105 -3.177 20.067 1.00 0.02 H new ATOM 581 N SER A 38 -0.813 -6.444 17.131 1.00 0.02 N ATOM 582 CA SER A 38 -0.831 -7.678 16.295 1.00 0.02 C ATOM 583 C SER A 38 -2.093 -7.645 15.431 1.00 0.01 C ATOM 584 O SER A 38 -3.077 -7.021 15.777 1.00 0.02 O ATOM 585 CB SER A 38 -0.827 -8.930 17.175 1.00 0.01 C ATOM 586 OG SER A 38 -1.451 -9.999 16.476 1.00 0.02 O ATOM 0 H SER A 38 -1.730 -6.037 17.316 1.00 0.02 H new ATOM 0 HA SER A 38 0.059 -7.712 15.667 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.196 -9.200 17.438 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.355 -8.734 18.108 1.00 0.01 H new ATOM 0 HG SER A 38 -0.957 -10.182 15.649 1.00 0.02 H new ATOM 592 N ILE A 39 -2.073 -8.292 14.292 1.00 0.02 N ATOM 593 CA ILE A 39 -3.274 -8.269 13.395 1.00 0.02 C ATOM 594 C ILE A 39 -3.424 -9.616 12.693 1.00 0.02 C ATOM 595 O ILE A 39 -2.463 -10.264 12.334 1.00 0.02 O ATOM 596 CB ILE A 39 -3.098 -7.175 12.325 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.948 -5.809 13.009 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.330 -7.149 11.402 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.776 -4.711 11.959 1.00 0.00 C ATOM 0 H ILE A 39 -1.282 -8.833 13.944 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.159 -8.066 13.998 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.207 -7.389 11.735 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.825 -5.602 13.622 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.087 -5.821 13.678 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.202 -6.374 10.646 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.439 -8.117 10.914 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.222 -6.937 11.992 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.671 -3.746 12.455 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.885 -4.913 11.364 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.650 -4.690 11.308 1.00 0.00 H new ATOM 611 N ARG A 40 -4.651 -10.005 12.455 1.00 0.02 N ATOM 612 CA ARG A 40 -4.937 -11.270 11.722 1.00 0.02 C ATOM 613 C ARG A 40 -5.808 -10.910 10.520 1.00 0.01 C ATOM 614 O ARG A 40 -6.880 -10.358 10.676 1.00 0.02 O ATOM 615 CB ARG A 40 -5.694 -12.264 12.606 1.00 0.01 C ATOM 616 CG ARG A 40 -5.759 -13.626 11.914 1.00 0.02 C ATOM 617 CD ARG A 40 -6.617 -14.581 12.748 1.00 0.02 C ATOM 618 NE ARG A 40 -7.965 -13.979 12.966 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.951 -14.716 13.404 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.758 -15.982 13.658 1.00 0.02 N ATOM 621 NH2 ARG A 40 -10.127 -14.184 13.592 1.00 0.02 N ATOM 0 H ARG A 40 -5.481 -9.487 12.745 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.000 -11.737 11.419 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.196 -12.359 13.571 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.701 -11.897 12.802 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.182 -13.519 10.915 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.755 -14.033 11.793 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.713 -15.539 12.238 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.135 -14.777 13.706 1.00 0.02 H new ATOM 0 HE ARG A 40 -8.117 -12.989 12.772 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.837 -16.396 13.515 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.528 -16.557 14.000 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -10.276 -13.194 13.397 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.898 -14.758 13.934 1.00 0.02 H new ATOM 635 N VAL A 41 -5.394 -11.248 9.329 1.00 0.02 N ATOM 636 CA VAL A 41 -6.241 -10.966 8.135 1.00 0.01 C ATOM 637 C VAL A 41 -6.837 -12.295 7.692 1.00 0.02 C ATOM 638 O VAL A 41 -6.127 -13.194 7.292 1.00 0.02 O ATOM 639 CB VAL A 41 -5.396 -10.345 7.028 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.313 -9.891 5.887 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.668 -9.123 7.588 1.00 0.00 C ATOM 0 H VAL A 41 -4.505 -11.708 9.131 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.034 -10.256 8.369 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.677 -11.076 6.658 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.713 -9.446 5.093 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.856 -10.750 5.493 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.023 -9.153 6.262 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.060 -8.671 6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.398 -8.397 7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.026 -9.429 8.414 1.00 0.00 H new ATOM 651 N GLU A 42 -8.132 -12.435 7.796 1.00 0.01 N ATOM 652 CA GLU A 42 -8.774 -13.725 7.418 1.00 0.01 C ATOM 653 C GLU A 42 -9.012 -13.759 5.918 1.00 0.02 C ATOM 654 O GLU A 42 -8.940 -14.803 5.302 1.00 0.01 O ATOM 655 CB GLU A 42 -10.102 -13.881 8.161 1.00 0.99 C ATOM 656 CG GLU A 42 -9.882 -13.612 9.651 1.00 1.86 C ATOM 657 CD GLU A 42 -11.110 -14.065 10.445 1.00 3.10 C ATOM 658 OE1 GLU A 42 -11.837 -14.910 9.948 1.00 3.67 O ATOM 659 OE2 GLU A 42 -11.301 -13.559 11.539 1.00 3.81 O ATOM 0 H GLU A 42 -8.771 -11.712 8.126 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.115 -14.548 7.693 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.840 -13.187 7.759 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.497 -14.886 8.016 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -8.996 -14.143 9.999 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.702 -12.550 9.816 1.00 1.86 H new ATOM 666 N GLY A 43 -9.304 -12.645 5.311 1.00 0.01 N ATOM 667 CA GLY A 43 -9.545 -12.679 3.843 1.00 0.02 C ATOM 668 C GLY A 43 -9.433 -11.279 3.255 1.00 0.02 C ATOM 669 O GLY A 43 -9.722 -10.302 3.914 1.00 0.02 O ATOM 0 H GLY A 43 -9.385 -11.730 5.755 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.823 -13.340 3.365 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.535 -13.088 3.640 1.00 0.02 H new ATOM 673 N GLY A 44 -9.032 -11.173 2.019 1.00 0.00 N ATOM 674 CA GLY A 44 -8.923 -9.828 1.393 1.00 0.01 C ATOM 675 C GLY A 44 -7.587 -9.183 1.764 1.00 0.01 C ATOM 676 O GLY A 44 -6.852 -9.674 2.597 1.00 0.01 O ATOM 0 H GLY A 44 -8.776 -11.957 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.006 -9.915 0.310 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.746 -9.196 1.726 1.00 0.01 H new ATOM 680 N THR A 45 -7.306 -8.053 1.175 1.00 0.01 N ATOM 681 CA THR A 45 -6.053 -7.302 1.504 1.00 0.00 C ATOM 682 C THR A 45 -6.465 -5.939 2.044 1.00 0.01 C ATOM 683 O THR A 45 -7.377 -5.326 1.533 1.00 0.01 O ATOM 684 CB THR A 45 -5.201 -7.123 0.245 1.00 0.73 C ATOM 685 OG1 THR A 45 -4.696 -8.385 -0.167 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.036 -6.175 0.548 1.00 1.48 C ATOM 0 H THR A 45 -7.896 -7.610 0.471 1.00 0.01 H new ATOM 0 HA THR A 45 -5.463 -7.848 2.240 1.00 0.00 H new ATOM 0 HB THR A 45 -5.812 -6.700 -0.553 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.152 -8.272 -0.974 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.429 -6.047 -0.348 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.427 -5.207 0.863 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.423 -6.595 1.345 1.00 1.48 H new ATOM 694 N TRP A 46 -5.853 -5.479 3.108 1.00 0.02 N ATOM 695 CA TRP A 46 -6.278 -4.177 3.718 1.00 0.01 C ATOM 696 C TRP A 46 -5.119 -3.192 3.823 1.00 0.01 C ATOM 697 O TRP A 46 -3.968 -3.551 3.953 1.00 0.01 O ATOM 698 CB TRP A 46 -6.799 -4.449 5.130 1.00 0.00 C ATOM 699 CG TRP A 46 -8.038 -5.278 5.060 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.103 -6.548 4.598 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.388 -4.918 5.462 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.411 -6.989 4.686 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.241 -6.019 5.213 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.951 -3.753 6.013 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.605 -5.965 5.501 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.323 -3.696 6.304 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.147 -4.799 6.047 1.00 0.01 C ATOM 0 H TRP A 46 -5.079 -5.946 3.581 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.045 -3.740 3.079 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.038 -4.965 5.715 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.008 -3.508 5.638 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.270 -7.123 4.222 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.724 -7.916 4.397 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.324 -2.897 6.213 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.237 -6.818 5.303 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.745 -2.797 6.728 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.202 -4.748 6.271 1.00 0.01 H new ATOM 718 N ALA A 47 -5.461 -1.932 3.836 1.00 0.01 N ATOM 719 CA ALA A 47 -4.453 -0.851 4.013 1.00 0.01 C ATOM 720 C ALA A 47 -4.697 -0.309 5.416 1.00 0.01 C ATOM 721 O ALA A 47 -5.820 -0.030 5.787 1.00 0.01 O ATOM 722 CB ALA A 47 -4.663 0.247 2.969 1.00 0.24 C ATOM 0 H ALA A 47 -6.420 -1.601 3.729 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.433 -1.215 3.888 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.919 1.031 3.111 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.559 -0.176 1.970 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.661 0.670 3.082 1.00 0.24 H new ATOM 728 N VAL A 48 -3.656 -0.139 6.192 1.00 0.01 N ATOM 729 CA VAL A 48 -3.820 0.407 7.577 1.00 0.02 C ATOM 730 C VAL A 48 -3.128 1.762 7.663 1.00 0.01 C ATOM 731 O VAL A 48 -2.069 1.951 7.101 1.00 0.01 O ATOM 732 CB VAL A 48 -3.214 -0.561 8.593 1.00 0.09 C ATOM 733 CG1 VAL A 48 -3.953 -1.899 8.521 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.733 -0.777 8.274 1.00 0.65 C ATOM 0 H VAL A 48 -2.695 -0.355 5.926 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.880 0.527 7.802 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.310 -0.144 9.596 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.523 -2.592 9.245 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.008 -1.745 8.749 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -3.855 -2.315 7.518 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.302 -1.467 8.999 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.634 -1.194 7.272 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.207 0.177 8.324 1.00 0.65 H new ATOM 744 N TYR A 49 -3.722 2.713 8.347 1.00 0.01 N ATOM 745 CA TYR A 49 -3.106 4.073 8.457 1.00 0.01 C ATOM 746 C TYR A 49 -2.875 4.411 9.926 1.00 0.01 C ATOM 747 O TYR A 49 -3.629 4.032 10.807 1.00 0.02 O ATOM 748 CB TYR A 49 -4.046 5.098 7.823 1.00 0.01 C ATOM 749 CG TYR A 49 -4.324 4.687 6.395 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.279 3.698 6.126 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.625 5.289 5.344 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.534 3.312 4.806 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.880 4.903 4.022 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.833 3.914 3.753 1.00 0.02 C ATOM 755 OH TYR A 49 -5.084 3.531 2.453 1.00 0.01 O ATOM 0 H TYR A 49 -4.611 2.604 8.835 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.148 4.091 7.937 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.977 5.156 8.387 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.595 6.090 7.849 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.819 3.233 6.938 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.889 6.051 5.552 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.271 2.550 4.599 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.341 5.369 3.210 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.515 4.046 1.844 1.00 0.01 H new ATOM 765 N GLU A 50 -1.792 5.097 10.175 1.00 0.01 N ATOM 766 CA GLU A 50 -1.398 5.453 11.567 1.00 0.01 C ATOM 767 C GLU A 50 -2.394 6.426 12.208 1.00 0.01 C ATOM 768 O GLU A 50 -2.639 6.352 13.394 1.00 0.02 O ATOM 769 CB GLU A 50 -0.001 6.099 11.517 1.00 0.02 C ATOM 770 CG GLU A 50 0.742 5.869 12.843 1.00 0.01 C ATOM 771 CD GLU A 50 1.357 4.465 12.859 1.00 0.02 C ATOM 772 OE1 GLU A 50 0.807 3.589 12.210 1.00 0.01 O ATOM 773 OE2 GLU A 50 2.366 4.289 13.520 1.00 0.02 O ATOM 0 H GLU A 50 -1.151 5.432 9.456 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.390 4.549 12.176 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.573 5.676 10.693 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -0.094 7.168 11.325 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.523 6.619 12.967 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.054 5.984 13.680 1.00 0.01 H new ATOM 780 N ARG A 51 -2.958 7.347 11.457 1.00 0.02 N ATOM 781 CA ARG A 51 -3.919 8.332 12.063 1.00 0.02 C ATOM 782 C ARG A 51 -5.277 8.229 11.337 1.00 0.01 C ATOM 783 O ARG A 51 -5.348 7.759 10.215 1.00 0.02 O ATOM 784 CB ARG A 51 -3.333 9.757 11.877 1.00 0.02 C ATOM 785 CG ARG A 51 -2.608 10.227 13.150 1.00 0.01 C ATOM 786 CD ARG A 51 -1.345 9.395 13.372 1.00 0.02 C ATOM 787 NE ARG A 51 -0.472 10.081 14.364 1.00 0.02 N ATOM 788 CZ ARG A 51 0.509 9.432 14.930 1.00 0.02 C ATOM 789 NH1 ARG A 51 0.733 8.187 14.612 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.268 10.027 15.809 1.00 0.01 N ATOM 0 H ARG A 51 -2.796 7.460 10.456 1.00 0.02 H new ATOM 0 HA ARG A 51 -4.065 8.122 13.123 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.639 9.762 11.037 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -4.134 10.454 11.632 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.347 11.282 13.061 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -3.270 10.134 14.011 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.609 8.400 13.730 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.812 9.264 12.430 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.641 11.059 14.601 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.142 7.723 13.922 1.00 0.02 H new ATOM 0 HH12 ARG A 51 1.499 7.678 15.053 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.095 11.002 16.055 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.034 9.517 16.250 1.00 0.01 H new ATOM 804 N PRO A 52 -6.350 8.673 11.971 1.00 0.02 N ATOM 805 CA PRO A 52 -7.704 8.610 11.350 1.00 0.02 C ATOM 806 C PRO A 52 -7.754 9.289 9.975 1.00 0.01 C ATOM 807 O PRO A 52 -6.871 10.026 9.585 1.00 0.02 O ATOM 808 CB PRO A 52 -8.590 9.344 12.383 1.00 0.02 C ATOM 809 CG PRO A 52 -7.682 9.895 13.498 1.00 0.01 C ATOM 810 CD PRO A 52 -6.294 9.260 13.343 1.00 0.01 C ATOM 0 HA PRO A 52 -8.026 7.588 11.149 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -9.138 10.156 11.904 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.331 8.662 12.800 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.613 10.981 13.430 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -8.099 9.662 14.478 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.498 9.999 13.434 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -6.110 8.499 14.101 1.00 0.01 H new ATOM 818 N ASN A 53 -8.822 9.050 9.267 1.00 0.02 N ATOM 819 CA ASN A 53 -9.012 9.679 7.932 1.00 0.02 C ATOM 820 C ASN A 53 -7.931 9.228 6.947 1.00 0.01 C ATOM 821 O ASN A 53 -7.475 9.982 6.111 1.00 0.01 O ATOM 822 CB ASN A 53 -8.979 11.203 8.090 1.00 0.01 C ATOM 823 CG ASN A 53 -9.711 11.595 9.375 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.902 11.390 9.498 1.00 0.02 O ATOM 825 ND2 ASN A 53 -9.046 12.156 10.347 1.00 0.01 N ATOM 0 H ASN A 53 -9.582 8.437 9.562 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.976 9.367 7.530 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.948 11.554 8.124 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.450 11.679 7.230 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.526 12.421 11.207 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -8.046 12.330 10.247 1.00 0.01 H new ATOM 832 N PHE A 54 -7.541 7.983 7.034 1.00 0.02 N ATOM 833 CA PHE A 54 -6.518 7.437 6.101 1.00 0.01 C ATOM 834 C PHE A 54 -5.350 8.410 5.941 1.00 0.01 C ATOM 835 O PHE A 54 -4.964 8.769 4.847 1.00 0.02 O ATOM 836 CB PHE A 54 -7.174 7.173 4.740 1.00 1.78 C ATOM 837 CG PHE A 54 -8.587 6.678 4.951 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.817 5.542 5.737 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.668 7.352 4.364 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.124 5.079 5.937 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.975 6.887 4.564 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.202 5.751 5.351 1.00 3.39 C ATOM 0 H PHE A 54 -7.893 7.316 7.720 1.00 0.02 H new ATOM 0 HA PHE A 54 -6.125 6.506 6.510 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.182 8.086 4.145 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.597 6.434 4.183 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.986 5.022 6.190 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.493 8.229 3.758 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.299 4.203 6.544 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.807 7.405 4.111 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.209 5.394 5.506 1.00 3.39 H new ATOM 852 N SER A 55 -4.786 8.834 7.048 1.00 0.02 N ATOM 853 CA SER A 55 -3.632 9.790 7.008 1.00 0.02 C ATOM 854 C SER A 55 -2.453 9.219 7.801 1.00 0.01 C ATOM 855 O SER A 55 -2.605 8.296 8.577 1.00 0.01 O ATOM 856 CB SER A 55 -4.057 11.119 7.634 1.00 1.90 C ATOM 857 OG SER A 55 -5.231 11.588 6.987 1.00 2.33 O ATOM 0 H SER A 55 -5.078 8.556 7.985 1.00 0.02 H new ATOM 0 HA SER A 55 -3.330 9.944 5.972 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.243 10.989 8.700 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.257 11.852 7.537 1.00 1.90 H new ATOM 0 HG SER A 55 -5.847 10.839 6.843 1.00 2.33 H new ATOM 863 N GLY A 56 -1.274 9.751 7.600 1.00 0.02 N ATOM 864 CA GLY A 56 -0.077 9.234 8.328 1.00 0.02 C ATOM 865 C GLY A 56 0.548 8.082 7.538 1.00 0.02 C ATOM 866 O GLY A 56 0.319 7.938 6.352 1.00 0.00 O ATOM 0 H GLY A 56 -1.089 10.524 6.961 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.652 10.033 8.463 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.363 8.893 9.323 1.00 0.02 H new ATOM 870 N HIS A 57 1.352 7.272 8.169 1.00 0.02 N ATOM 871 CA HIS A 57 2.004 6.150 7.433 1.00 0.02 C ATOM 872 C HIS A 57 0.951 5.143 6.974 1.00 0.01 C ATOM 873 O HIS A 57 0.059 4.795 7.719 1.00 0.01 O ATOM 874 CB HIS A 57 3.001 5.449 8.357 1.00 0.00 C ATOM 875 CG HIS A 57 3.854 6.472 9.054 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.787 6.678 10.422 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.802 7.348 8.588 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.672 7.643 10.730 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.318 8.086 9.648 1.00 0.01 N ATOM 0 H HIS A 57 1.586 7.337 9.160 1.00 0.02 H new ATOM 0 HA HIS A 57 2.523 6.550 6.562 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.468 4.845 9.091 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.629 4.770 7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.102 7.449 7.555 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.840 8.014 11.730 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.035 8.810 9.608 1.00 0.01 H new ATOM 887 N MET A 58 1.062 4.662 5.755 1.00 0.02 N ATOM 888 CA MET A 58 0.079 3.657 5.233 1.00 0.02 C ATOM 889 C MET A 58 0.818 2.361 4.872 1.00 0.01 C ATOM 890 O MET A 58 1.878 2.380 4.278 1.00 0.01 O ATOM 891 CB MET A 58 -0.615 4.227 3.990 1.00 2.61 C ATOM 892 CG MET A 58 0.367 4.283 2.818 1.00 3.46 C ATOM 893 SD MET A 58 -0.253 5.431 1.563 1.00 4.50 S ATOM 894 CE MET A 58 -1.423 4.299 0.775 1.00 5.01 C ATOM 0 H MET A 58 1.796 4.925 5.097 1.00 0.02 H new ATOM 0 HA MET A 58 -0.669 3.441 5.996 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.472 3.608 3.727 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.996 5.226 4.203 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.348 4.605 3.167 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.492 3.290 2.387 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.850 4.774 -0.108 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.905 3.386 0.482 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.221 4.054 1.476 1.00 5.01 H new ATOM 904 N TYR A 59 0.262 1.237 5.245 1.00 0.02 N ATOM 905 CA TYR A 59 0.905 -0.086 4.955 1.00 0.01 C ATOM 906 C TYR A 59 -0.146 -1.045 4.385 1.00 0.01 C ATOM 907 O TYR A 59 -1.281 -1.069 4.814 1.00 0.02 O ATOM 908 CB TYR A 59 1.452 -0.668 6.258 1.00 0.01 C ATOM 909 CG TYR A 59 2.746 0.022 6.619 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.926 -0.308 5.941 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.766 0.993 7.628 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.125 0.334 6.271 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.967 1.633 7.959 1.00 0.01 C ATOM 914 CZ TYR A 59 5.146 1.303 7.280 1.00 0.01 C ATOM 915 OH TYR A 59 6.330 1.933 7.605 1.00 0.01 O ATOM 0 H TYR A 59 -0.624 1.176 5.746 1.00 0.02 H new ATOM 0 HA TYR A 59 1.713 0.046 4.235 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.724 -0.539 7.059 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.618 -1.740 6.148 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.911 -1.058 5.164 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.856 1.248 8.151 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.035 0.081 5.746 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.984 2.381 8.738 1.00 0.01 H new ATOM 0 HH TYR A 59 6.170 2.579 8.325 1.00 0.01 H new ATOM 925 N ILE A 60 0.239 -1.841 3.414 1.00 0.02 N ATOM 926 CA ILE A 60 -0.713 -2.816 2.794 1.00 0.01 C ATOM 927 C ILE A 60 -0.535 -4.190 3.450 1.00 0.01 C ATOM 928 O ILE A 60 0.573 -4.660 3.617 1.00 0.01 O ATOM 929 CB ILE A 60 -0.429 -2.925 1.291 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.168 -1.530 0.709 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.631 -3.560 0.585 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.310 -0.582 1.086 1.00 1.72 C ATOM 0 H ILE A 60 1.181 -1.856 3.022 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.736 -2.471 2.945 1.00 0.01 H new ATOM 0 HB ILE A 60 0.452 -3.548 1.137 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.778 -1.141 1.086 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.078 -1.591 -0.376 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.427 -3.636 -0.483 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.808 -4.555 0.993 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.514 -2.941 0.742 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.116 0.406 0.668 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.249 -0.966 0.687 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.380 -0.510 2.171 1.00 1.72 H new ATOM 944 N LEU A 61 -1.617 -4.824 3.842 1.00 0.01 N ATOM 945 CA LEU A 61 -1.523 -6.163 4.517 1.00 0.01 C ATOM 946 C LEU A 61 -2.312 -7.231 3.710 1.00 0.01 C ATOM 947 O LEU A 61 -3.528 -7.207 3.714 1.00 0.00 O ATOM 948 CB LEU A 61 -2.149 -6.022 5.935 1.00 0.01 C ATOM 949 CG LEU A 61 -1.083 -6.209 7.029 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.616 -5.682 8.358 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.759 -7.696 7.182 1.00 0.01 C ATOM 0 H LEU A 61 -2.566 -4.470 3.723 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.481 -6.478 4.579 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.611 -5.040 6.036 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.940 -6.761 6.063 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.184 -5.662 6.747 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.860 -5.815 9.132 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -1.853 -4.623 8.261 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.517 -6.231 8.632 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -0.004 -7.826 7.957 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.662 -8.238 7.461 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.379 -8.085 6.237 1.00 0.01 H new ATOM 963 N PRO A 62 -1.661 -8.181 3.051 1.00 0.02 N ATOM 964 CA PRO A 62 -2.411 -9.237 2.311 1.00 0.01 C ATOM 965 C PRO A 62 -2.985 -10.270 3.295 1.00 0.00 C ATOM 966 O PRO A 62 -2.652 -10.271 4.462 1.00 0.02 O ATOM 967 CB PRO A 62 -1.326 -9.848 1.411 1.00 1.47 C ATOM 968 CG PRO A 62 0.046 -9.425 1.968 1.00 1.29 C ATOM 969 CD PRO A 62 -0.172 -8.279 2.978 1.00 0.82 C ATOM 0 HA PRO A 62 -3.267 -8.867 1.747 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.412 -10.934 1.394 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.444 -9.503 0.384 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.536 -10.270 2.452 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.700 -9.099 1.159 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.266 -8.507 3.949 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.278 -7.347 2.636 1.00 0.82 H new ATOM 977 N GLN A 63 -3.845 -11.145 2.841 1.00 0.02 N ATOM 978 CA GLN A 63 -4.435 -12.161 3.761 1.00 0.00 C ATOM 979 C GLN A 63 -3.335 -12.917 4.509 1.00 0.00 C ATOM 980 O GLN A 63 -2.315 -13.253 3.945 1.00 0.02 O ATOM 981 CB GLN A 63 -5.259 -13.161 2.942 1.00 1.27 C ATOM 982 CG GLN A 63 -4.359 -13.831 1.899 1.00 1.67 C ATOM 983 CD GLN A 63 -5.225 -14.537 0.855 1.00 2.43 C ATOM 984 OE1 GLN A 63 -6.341 -14.927 1.135 1.00 4.25 O ATOM 985 NE2 GLN A 63 -4.754 -14.720 -0.347 1.00 3.04 N ATOM 0 H GLN A 63 -4.164 -11.199 1.874 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.068 -11.650 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.695 -13.914 3.599 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.086 -12.650 2.450 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.725 -13.086 1.418 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -3.696 -14.549 2.382 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -3.817 -14.393 -0.583 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -5.322 -15.190 -1.051 1.00 3.04 H new ATOM 994 N GLY A 64 -3.532 -13.207 5.773 1.00 0.02 N ATOM 995 CA GLY A 64 -2.483 -13.960 6.526 1.00 0.01 C ATOM 996 C GLY A 64 -2.577 -13.657 8.023 1.00 0.02 C ATOM 997 O GLY A 64 -3.454 -12.950 8.478 1.00 0.02 O ATOM 0 H GLY A 64 -4.363 -12.958 6.309 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.603 -15.030 6.357 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.495 -13.688 6.155 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.666 -14.194 8.794 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.669 -13.956 10.273 1.00 0.02 C ATOM 1003 C GLU A 65 -0.376 -13.251 10.676 1.00 0.02 C ATOM 1004 O GLU A 65 0.710 -13.673 10.336 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.745 -15.301 10.995 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.810 -15.061 12.504 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.154 -16.369 13.218 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.949 -17.122 12.682 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -1.615 -16.594 14.289 1.00 0.96 O ATOM 0 H GLU A 65 -0.912 -14.794 8.460 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.525 -13.338 10.542 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.624 -15.855 10.665 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.874 -15.909 10.749 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.854 -14.680 12.863 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.561 -14.304 12.730 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.499 -12.179 11.420 1.00 0.02 N ATOM 1017 CA TYR A 66 0.696 -11.419 11.894 1.00 0.02 C ATOM 1018 C TYR A 66 0.662 -11.402 13.434 1.00 0.02 C ATOM 1019 O TYR A 66 -0.052 -10.609 14.021 1.00 0.02 O ATOM 1020 CB TYR A 66 0.601 -9.993 11.349 1.00 0.01 C ATOM 1021 CG TYR A 66 0.678 -10.048 9.840 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.444 -10.434 9.097 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.873 -9.729 9.185 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.371 -10.500 7.698 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.947 -9.797 7.788 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.826 -10.181 7.045 1.00 0.02 C ATOM 1027 OH TYR A 66 0.904 -10.245 5.667 1.00 0.01 O ATOM 0 H TYR A 66 -1.393 -11.793 11.723 1.00 0.02 H new ATOM 0 HA TYR A 66 1.625 -11.875 11.552 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.334 -9.529 11.664 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.410 -9.381 11.747 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.366 -10.681 9.601 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.739 -9.430 9.757 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.237 -10.797 7.125 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.870 -9.553 7.284 1.00 0.02 H new ATOM 0 HH TYR A 66 1.805 -9.991 5.378 1.00 0.01 H new ATOM 1037 N PRO A 67 1.387 -12.285 14.105 1.00 0.01 N ATOM 1038 CA PRO A 67 1.346 -12.327 15.595 1.00 0.02 C ATOM 1039 C PRO A 67 2.027 -11.127 16.272 1.00 0.02 C ATOM 1040 O PRO A 67 1.988 -11.003 17.479 1.00 0.02 O ATOM 1041 CB PRO A 67 2.076 -13.649 15.920 1.00 0.02 C ATOM 1042 CG PRO A 67 2.741 -14.168 14.629 1.00 0.02 C ATOM 1043 CD PRO A 67 2.279 -13.289 13.450 1.00 0.01 C ATOM 0 HA PRO A 67 0.325 -12.276 15.972 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.826 -13.488 16.694 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.372 -14.386 16.307 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.826 -14.135 14.723 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.468 -15.209 14.455 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.121 -12.813 12.948 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.747 -13.871 12.698 1.00 0.01 H new ATOM 1051 N GLU A 68 2.632 -10.235 15.534 1.00 0.01 N ATOM 1052 CA GLU A 68 3.281 -9.059 16.187 1.00 0.01 C ATOM 1053 C GLU A 68 3.355 -7.929 15.161 1.00 0.03 C ATOM 1054 O GLU A 68 3.340 -8.146 13.967 1.00 0.02 O ATOM 1055 CB GLU A 68 4.712 -9.414 16.616 1.00 0.69 C ATOM 1056 CG GLU A 68 4.690 -10.507 17.683 1.00 1.09 C ATOM 1057 CD GLU A 68 6.076 -10.624 18.321 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.977 -9.940 17.866 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.211 -11.394 19.257 1.00 1.55 O ATOM 0 H GLU A 68 2.705 -10.268 14.517 1.00 0.01 H new ATOM 0 HA GLU A 68 2.704 -8.764 17.064 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.285 -9.751 15.752 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.213 -8.527 17.004 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.946 -10.272 18.444 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.401 -11.459 17.238 1.00 1.09 H new ATOM 1066 N TYR A 69 3.389 -6.713 15.634 1.00 0.02 N ATOM 1067 CA TYR A 69 3.405 -5.555 14.703 1.00 0.02 C ATOM 1068 C TYR A 69 4.632 -5.580 13.790 1.00 0.01 C ATOM 1069 O TYR A 69 4.555 -5.243 12.626 1.00 0.01 O ATOM 1070 CB TYR A 69 3.350 -4.249 15.504 1.00 0.02 C ATOM 1071 CG TYR A 69 4.480 -4.215 16.505 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.344 -4.863 17.737 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.664 -3.531 16.200 1.00 0.02 C ATOM 1074 CE1 TYR A 69 5.391 -4.828 18.665 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.712 -3.496 17.129 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.575 -4.145 18.361 1.00 0.02 C ATOM 1077 OH TYR A 69 7.607 -4.113 19.275 1.00 0.01 O ATOM 0 H TYR A 69 3.406 -6.474 16.625 1.00 0.02 H new ATOM 0 HA TYR A 69 2.527 -5.620 14.061 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.423 -3.395 14.830 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.393 -4.168 16.019 1.00 0.02 H new ATOM 0 HD1 TYR A 69 3.431 -5.390 17.972 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.769 -3.031 15.249 1.00 0.02 H new ATOM 0 HE1 TYR A 69 5.286 -5.328 19.616 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.625 -2.969 16.894 1.00 0.02 H new ATOM 0 HH TYR A 69 8.430 -4.433 18.850 1.00 0.01 H new ATOM 1087 N GLN A 70 5.764 -5.971 14.306 1.00 0.01 N ATOM 1088 CA GLN A 70 6.998 -6.019 13.469 1.00 0.02 C ATOM 1089 C GLN A 70 6.800 -6.981 12.290 1.00 0.01 C ATOM 1090 O GLN A 70 7.449 -6.877 11.267 1.00 0.02 O ATOM 1091 CB GLN A 70 8.168 -6.510 14.323 1.00 0.01 C ATOM 1092 CG GLN A 70 8.292 -5.636 15.573 1.00 0.01 C ATOM 1093 CD GLN A 70 9.600 -5.963 16.294 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.948 -5.320 17.265 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.343 -6.943 15.860 1.00 0.02 N ATOM 0 H GLN A 70 5.889 -6.261 15.276 1.00 0.01 H new ATOM 0 HA GLN A 70 7.207 -5.020 13.086 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.012 -7.550 14.608 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.093 -6.473 13.747 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.270 -4.582 15.297 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.445 -5.809 16.237 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.051 -7.482 15.045 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.216 -7.170 16.335 1.00 0.02 H new ATOM 1104 N ARG A 71 5.894 -7.914 12.433 1.00 0.01 N ATOM 1105 CA ARG A 71 5.636 -8.883 11.329 1.00 0.02 C ATOM 1106 C ARG A 71 4.953 -8.144 10.178 1.00 0.01 C ATOM 1107 O ARG A 71 4.931 -8.591 9.049 1.00 0.02 O ATOM 1108 CB ARG A 71 4.733 -10.017 11.827 1.00 0.34 C ATOM 1109 CG ARG A 71 4.763 -11.192 10.832 1.00 0.72 C ATOM 1110 CD ARG A 71 6.032 -12.054 11.044 1.00 1.04 C ATOM 1111 NE ARG A 71 6.673 -12.356 9.721 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.967 -12.771 8.701 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.696 -13.020 8.834 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.544 -12.963 7.547 1.00 3.42 N ATOM 0 H ARG A 71 5.322 -8.046 13.267 1.00 0.01 H new ATOM 0 HA ARG A 71 6.578 -9.312 10.988 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.066 -10.353 12.809 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.712 -9.655 11.943 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.873 -11.808 10.961 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.742 -10.811 9.811 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.737 -11.527 11.687 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.771 -12.983 11.551 1.00 1.04 H new ATOM 0 HE ARG A 71 7.680 -12.235 9.615 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.243 -12.892 9.739 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.153 -13.343 8.033 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.544 -12.790 7.441 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.996 -13.287 6.750 1.00 3.42 H new ATOM 1128 N TRP A 72 4.395 -7.004 10.480 1.00 0.02 N ATOM 1129 CA TRP A 72 3.695 -6.180 9.452 1.00 0.01 C ATOM 1130 C TRP A 72 4.588 -4.968 9.155 1.00 0.01 C ATOM 1131 O TRP A 72 4.200 -4.025 8.498 1.00 0.02 O ATOM 1132 CB TRP A 72 2.319 -5.784 10.049 1.00 0.02 C ATOM 1133 CG TRP A 72 1.899 -4.395 9.679 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.630 -3.967 8.428 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.663 -3.257 10.561 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.256 -2.638 8.483 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.261 -2.156 9.775 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.764 -3.077 11.952 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.966 -0.918 10.347 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.466 -1.832 12.532 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.069 -0.755 11.730 1.00 0.02 C ATOM 0 H TRP A 72 4.395 -6.600 11.417 1.00 0.02 H new ATOM 0 HA TRP A 72 3.520 -6.706 8.513 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.563 -6.490 9.705 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.363 -5.867 11.135 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.696 -4.565 7.531 1.00 0.01 H new ATOM 0 HE1 TRP A 72 1.006 -2.080 7.666 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.073 -3.901 12.579 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.660 -0.091 9.724 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.544 -1.705 13.602 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.843 0.200 12.180 1.00 0.02 H new ATOM 1152 N MET A 73 5.797 -5.009 9.644 1.00 0.02 N ATOM 1153 CA MET A 73 6.759 -3.890 9.419 1.00 0.02 C ATOM 1154 C MET A 73 6.220 -2.589 10.022 1.00 0.01 C ATOM 1155 O MET A 73 6.606 -1.503 9.635 1.00 0.02 O ATOM 1156 CB MET A 73 6.992 -3.698 7.918 1.00 0.02 C ATOM 1157 CG MET A 73 7.203 -5.058 7.250 1.00 0.01 C ATOM 1158 SD MET A 73 7.653 -4.806 5.517 1.00 0.01 S ATOM 1159 CE MET A 73 5.971 -4.756 4.849 1.00 0.01 C ATOM 0 H MET A 73 6.165 -5.782 10.198 1.00 0.02 H new ATOM 0 HA MET A 73 7.701 -4.141 9.906 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.138 -3.191 7.470 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.862 -3.063 7.754 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.988 -5.612 7.765 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.294 -5.655 7.319 1.00 0.01 H new ATOM 0 HE1 MET A 73 6.012 -4.605 3.770 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.466 -5.697 5.065 1.00 0.01 H new ATOM 0 HE3 MET A 73 5.421 -3.935 5.309 1.00 0.01 H new ATOM 1169 N GLY A 74 5.329 -2.699 10.974 1.00 0.02 N ATOM 1170 CA GLY A 74 4.765 -1.481 11.612 1.00 0.02 C ATOM 1171 C GLY A 74 5.893 -0.687 12.262 1.00 0.01 C ATOM 1172 O GLY A 74 6.822 -1.248 12.809 1.00 0.01 O ATOM 0 H GLY A 74 4.970 -3.583 11.335 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.255 -0.869 10.868 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.022 -1.758 12.360 1.00 0.02 H new ATOM 1176 N LEU A 75 5.805 0.614 12.247 1.00 0.02 N ATOM 1177 CA LEU A 75 6.860 1.432 12.908 1.00 0.02 C ATOM 1178 C LEU A 75 6.586 1.417 14.419 1.00 0.01 C ATOM 1179 O LEU A 75 7.487 1.483 15.232 1.00 0.02 O ATOM 1180 CB LEU A 75 6.821 2.867 12.362 1.00 0.55 C ATOM 1181 CG LEU A 75 8.164 3.579 12.630 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.155 3.288 11.494 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.940 5.095 12.714 1.00 0.42 C ATOM 0 H LEU A 75 5.052 1.144 11.808 1.00 0.02 H new ATOM 0 HA LEU A 75 7.851 1.024 12.707 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.618 2.850 11.291 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.008 3.420 12.832 1.00 0.55 H new ATOM 0 HG LEU A 75 8.570 3.210 13.572 1.00 0.58 H new ATOM 0 HD11 LEU A 75 10.098 3.796 11.695 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.328 2.214 11.428 1.00 0.98 H new ATOM 0 HD13 LEU A 75 8.743 3.647 10.551 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.891 5.593 12.903 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.523 5.454 11.773 1.00 0.42 H new ATOM 0 HD23 LEU A 75 7.247 5.316 13.526 1.00 0.42 H new ATOM 1195 N ASN A 76 5.337 1.300 14.790 1.00 0.01 N ATOM 1196 CA ASN A 76 4.947 1.236 16.223 1.00 0.02 C ATOM 1197 C ASN A 76 3.587 0.537 16.271 1.00 0.02 C ATOM 1198 O ASN A 76 3.127 0.018 15.273 1.00 0.02 O ATOM 1199 CB ASN A 76 4.840 2.652 16.798 1.00 0.02 C ATOM 1200 CG ASN A 76 3.818 3.460 15.996 1.00 0.02 C ATOM 1201 OD1 ASN A 76 2.962 2.901 15.341 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.873 4.764 16.018 1.00 0.02 N ATOM 0 H ASN A 76 4.554 1.245 14.139 1.00 0.01 H new ATOM 0 HA ASN A 76 5.686 0.695 16.814 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.541 2.608 17.845 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.813 3.143 16.764 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.197 5.312 15.485 1.00 0.02 H new ATOM 0 HD22 ASN A 76 4.592 5.235 16.568 1.00 0.02 H new ATOM 1209 N ASP A 77 2.935 0.501 17.404 1.00 0.01 N ATOM 1210 CA ASP A 77 1.607 -0.190 17.474 1.00 0.01 C ATOM 1211 C ASP A 77 0.476 0.835 17.345 1.00 0.01 C ATOM 1212 O ASP A 77 -0.610 0.628 17.853 1.00 0.01 O ATOM 1213 CB ASP A 77 1.473 -0.906 18.819 1.00 0.01 C ATOM 1214 CG ASP A 77 1.505 0.120 19.953 1.00 0.01 C ATOM 1215 OD1 ASP A 77 0.481 0.736 20.197 1.00 0.01 O ATOM 1216 OD2 ASP A 77 2.552 0.269 20.561 1.00 0.02 O ATOM 0 H ASP A 77 3.258 0.915 18.278 1.00 0.01 H new ATOM 0 HA ASP A 77 1.541 -0.911 16.659 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.540 -1.469 18.851 1.00 0.01 H new ATOM 0 HB3 ASP A 77 2.284 -1.624 18.942 1.00 0.01 H new ATOM 1221 N ARG A 78 0.712 1.941 16.681 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.360 2.979 16.546 1.00 0.01 C ATOM 1223 C ARG A 78 -1.104 2.808 15.215 1.00 0.02 C ATOM 1224 O ARG A 78 -0.517 2.860 14.153 1.00 0.02 O ATOM 1225 CB ARG A 78 0.285 4.378 16.631 1.00 0.43 C ATOM 1226 CG ARG A 78 -0.719 5.401 17.191 1.00 0.80 C ATOM 1227 CD ARG A 78 -1.908 5.570 16.227 1.00 1.00 C ATOM 1228 NE ARG A 78 -2.378 6.993 16.255 1.00 1.30 N ATOM 1229 CZ ARG A 78 -2.618 7.605 17.385 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -2.621 6.943 18.508 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -2.908 8.879 17.383 1.00 3.20 N ATOM 0 H ARG A 78 1.597 2.170 16.228 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.084 2.865 17.352 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.168 4.340 17.269 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.619 4.692 15.642 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -1.077 5.072 18.166 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -0.225 6.361 17.340 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -1.611 5.294 15.215 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -2.720 4.902 16.514 1.00 1.00 H new ATOM 0 HE ARG A 78 -2.513 7.493 15.376 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -2.435 5.940 18.509 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -2.809 7.428 19.385 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -2.946 9.392 16.502 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -3.096 9.361 18.262 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.397 2.625 15.271 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.208 2.472 14.024 1.00 0.01 C ATOM 1247 C LEU A 79 -4.569 3.136 14.262 1.00 0.01 C ATOM 1248 O LEU A 79 -5.270 2.801 15.196 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.392 0.983 13.719 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.119 0.425 13.059 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.254 -1.093 12.925 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.903 1.060 11.663 1.00 2.61 C ATOM 0 H LEU A 79 -2.933 2.574 16.137 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.708 2.941 13.176 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.605 0.438 14.638 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.247 0.841 13.059 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.257 0.669 13.681 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.356 -1.498 12.458 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.381 -1.536 13.913 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.121 -1.328 12.308 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.998 0.652 11.214 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.758 0.836 11.025 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.801 2.140 11.766 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.927 4.108 13.453 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.223 4.841 13.659 1.00 0.02 C ATOM 1266 C GLY A 80 -7.259 4.543 12.561 1.00 0.02 C ATOM 1267 O GLY A 80 -8.434 4.809 12.746 1.00 0.01 O ATOM 0 H GLY A 80 -4.376 4.427 12.656 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.639 4.568 14.629 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.028 5.913 13.687 1.00 0.02 H new ATOM 1271 N SER A 81 -6.877 4.004 11.426 1.00 0.01 N ATOM 1272 CA SER A 81 -7.912 3.739 10.368 1.00 0.01 C ATOM 1273 C SER A 81 -7.468 2.618 9.435 1.00 0.02 C ATOM 1274 O SER A 81 -6.296 2.347 9.267 1.00 0.01 O ATOM 1275 CB SER A 81 -8.136 5.008 9.552 1.00 0.01 C ATOM 1276 OG SER A 81 -8.844 4.684 8.362 1.00 0.01 O ATOM 0 H SER A 81 -5.921 3.741 11.188 1.00 0.01 H new ATOM 0 HA SER A 81 -8.836 3.436 10.860 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.699 5.735 10.137 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.180 5.469 9.305 1.00 0.01 H new ATOM 0 HG SER A 81 -8.699 5.386 7.694 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.421 1.965 8.813 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.084 0.853 7.874 1.00 0.01 C ATOM 1284 C CYS A 82 -9.077 0.821 6.711 1.00 0.01 C ATOM 1285 O CYS A 82 -10.235 1.157 6.855 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.129 -0.482 8.617 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.182 -0.348 10.154 1.00 0.02 S ATOM 0 H CYS A 82 -9.418 2.156 8.917 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.081 1.019 7.481 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.162 -0.754 8.836 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.717 -1.273 7.991 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.990 -1.534 10.650 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.625 0.410 5.556 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.526 0.339 4.363 1.00 0.01 C ATOM 1295 C ARG A 83 -9.303 -0.992 3.653 1.00 0.01 C ATOM 1296 O ARG A 83 -8.188 -1.458 3.513 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.168 1.460 3.386 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.486 2.819 4.010 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.790 3.927 3.203 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.690 3.518 1.772 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.404 4.403 0.856 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.195 5.648 1.193 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.319 4.044 -0.396 1.00 0.01 N ATOM 0 H ARG A 83 -7.663 0.118 5.384 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.562 0.437 4.687 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.110 1.407 3.130 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.727 1.337 2.458 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.563 2.984 4.020 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.150 2.843 5.047 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.350 4.858 3.287 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -7.796 4.116 3.608 1.00 0.01 H new ATOM 0 HE ARG A 83 -8.845 2.545 1.509 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.255 5.928 2.172 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -7.972 6.339 0.477 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.476 3.071 -0.659 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -8.095 4.736 -1.111 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.362 -1.613 3.200 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.222 -2.914 2.497 1.00 0.01 C ATOM 1319 C ALA A 84 -9.764 -2.648 1.067 1.00 0.01 C ATOM 1320 O ALA A 84 -10.308 -1.817 0.366 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.572 -3.636 2.455 1.00 0.43 C ATOM 0 H ALA A 84 -11.319 -1.270 3.289 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.498 -3.535 3.024 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.459 -4.589 1.938 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -11.921 -3.814 3.472 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.298 -3.019 1.925 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.776 -3.370 0.627 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.273 -3.205 -0.761 1.00 0.01 C ATOM 1329 C VAL A 85 -8.995 -4.201 -1.670 1.00 0.01 C ATOM 1330 O VAL A 85 -8.966 -5.394 -1.443 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.769 -3.465 -0.792 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.235 -3.198 -2.200 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.073 -2.528 0.196 1.00 1.12 C ATOM 0 H VAL A 85 -8.289 -4.077 1.178 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.463 -2.190 -1.109 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.573 -4.501 -0.517 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.161 -3.383 -2.223 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.733 -3.859 -2.909 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.430 -2.161 -2.472 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -4.999 -2.711 0.176 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.270 -1.493 -0.084 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.454 -2.711 1.201 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.636 -3.725 -2.700 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.352 -4.647 -3.627 1.00 0.01 C ATOM 1345 C HIS A 86 -9.375 -5.074 -4.715 1.00 0.01 C ATOM 1346 O HIS A 86 -8.636 -4.276 -5.257 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.535 -3.917 -4.263 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.530 -3.558 -3.196 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.160 -3.374 -1.873 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.886 -3.353 -3.239 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.274 -3.074 -1.179 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -14.354 -3.047 -1.964 1.00 1.71 N ATOM 0 H HIS A 86 -9.696 -2.736 -2.941 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.723 -5.517 -3.085 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.190 -3.017 -4.772 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.005 -4.549 -5.016 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -14.497 -3.419 -4.127 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -13.292 -2.879 -0.117 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -15.315 -2.845 -1.689 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.366 -6.343 -5.034 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.439 -6.862 -6.081 1.00 0.01 C ATOM 1362 C LEU A 87 -9.209 -7.002 -7.393 1.00 0.01 C ATOM 1363 O LEU A 87 -10.325 -7.480 -7.412 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.903 -8.249 -5.655 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.840 -8.353 -4.128 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.292 -9.726 -3.740 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.917 -7.270 -3.573 1.00 1.34 C ATOM 0 H LEU A 87 -9.968 -7.048 -4.608 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.603 -6.175 -6.208 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.548 -9.033 -6.053 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.911 -8.408 -6.078 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.840 -8.221 -3.716 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.245 -9.805 -2.654 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.947 -10.504 -4.133 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.292 -9.850 -4.156 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.876 -7.349 -2.487 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.916 -7.399 -3.984 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.300 -6.288 -3.851 1.00 1.34 H new ATOM 1379 N SER A 88 -8.612 -6.615 -8.491 1.00 0.01 N ATOM 1380 CA SER A 88 -9.279 -6.745 -9.820 1.00 0.01 C ATOM 1381 C SER A 88 -8.527 -7.785 -10.649 1.00 0.01 C ATOM 1382 O SER A 88 -7.339 -7.645 -10.868 1.00 0.01 O ATOM 1383 CB SER A 88 -9.243 -5.399 -10.544 1.00 0.81 C ATOM 1384 OG SER A 88 -7.890 -5.015 -10.756 1.00 1.08 O ATOM 0 H SER A 88 -7.677 -6.209 -8.522 1.00 0.01 H new ATOM 0 HA SER A 88 -10.316 -7.054 -9.685 1.00 0.01 H new ATOM 0 HB2 SER A 88 -9.766 -5.472 -11.498 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.760 -4.642 -9.954 1.00 0.81 H new ATOM 0 HG SER A 88 -7.334 -5.816 -10.850 1.00 1.08 H new ATOM 1390 N SER A 89 -9.183 -8.791 -11.167 1.00 0.01 N ATOM 1391 CA SER A 89 -8.465 -9.778 -12.035 1.00 0.01 C ATOM 1392 C SER A 89 -8.845 -9.435 -13.472 1.00 0.01 C ATOM 1393 O SER A 89 -9.237 -8.315 -13.736 1.00 0.01 O ATOM 1394 CB SER A 89 -8.927 -11.197 -11.707 1.00 0.43 C ATOM 1395 OG SER A 89 -10.347 -11.240 -11.722 1.00 1.26 O ATOM 0 H SER A 89 -10.177 -8.973 -11.029 1.00 0.01 H new ATOM 0 HA SER A 89 -7.387 -9.731 -11.880 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.522 -11.901 -12.434 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.552 -11.498 -10.729 1.00 0.43 H new ATOM 0 HG SER A 89 -10.649 -12.149 -11.514 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.788 -10.357 -14.406 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.213 -10.019 -15.805 1.00 0.00 C ATOM 1403 C GLY A 90 -8.270 -10.602 -16.861 1.00 0.00 C ATOM 1404 O GLY A 90 -8.714 -11.226 -17.803 1.00 0.01 O ATOM 0 H GLY A 90 -8.470 -11.316 -14.264 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.222 -10.395 -15.976 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.254 -8.936 -15.917 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.980 -10.428 -16.730 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.073 -11.011 -17.758 1.00 0.00 C ATOM 1410 C GLY A 91 -4.603 -10.669 -17.488 1.00 0.00 C ATOM 1411 O GLY A 91 -3.960 -11.307 -16.675 1.00 0.01 O ATOM 0 H GLY A 91 -6.525 -9.919 -15.973 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.196 -12.094 -17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.356 -10.641 -18.743 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.055 -9.690 -18.168 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.610 -9.326 -17.961 1.00 2.31 C ATOM 1417 C GLN A 92 -2.478 -7.875 -17.493 1.00 1.91 C ATOM 1418 O GLN A 92 -2.875 -6.945 -18.164 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.856 -9.535 -19.277 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.349 -9.455 -19.021 1.00 2.86 C ATOM 1421 CD GLN A 92 0.402 -9.506 -20.352 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.273 -8.617 -21.169 1.00 3.99 O ATOM 1423 NE2 GLN A 92 1.192 -10.513 -20.601 1.00 4.43 N ATOM 0 H GLN A 92 -4.545 -9.124 -18.860 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.183 -9.964 -17.187 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.112 -10.504 -19.705 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.153 -8.778 -20.003 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.109 -8.533 -18.492 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.034 -10.281 -18.383 1.00 2.86 H new ATOM 0 HE21 GLN A 92 1.299 -11.259 -19.914 1.00 4.43 H new ATOM 0 HE22 GLN A 92 1.703 -10.555 -21.483 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.918 -7.696 -16.322 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.752 -6.317 -15.777 1.00 0.01 C ATOM 1434 C ALA A 93 -0.576 -5.631 -16.478 1.00 0.01 C ATOM 1435 O ALA A 93 0.507 -6.176 -16.575 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.463 -6.395 -14.280 1.00 2.99 C ATOM 0 H ALA A 93 -1.570 -8.444 -15.723 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.666 -5.747 -15.947 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.341 -5.388 -13.880 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.293 -6.889 -13.774 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.548 -6.964 -14.115 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.786 -4.434 -16.967 1.00 0.00 N ATOM 1443 CA LYS A 94 0.300 -3.682 -17.673 1.00 0.01 C ATOM 1444 C LYS A 94 0.364 -2.251 -17.125 1.00 0.01 C ATOM 1445 O LYS A 94 -0.651 -1.635 -16.867 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.036 -3.654 -19.166 1.00 2.49 C ATOM 1447 CG LYS A 94 1.152 -3.094 -19.950 1.00 3.43 C ATOM 1448 CD LYS A 94 0.930 -3.315 -21.450 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.319 -2.555 -21.907 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.264 -2.357 -23.381 1.00 6.36 N ATOM 0 H LYS A 94 -1.676 -3.939 -16.907 1.00 0.00 H new ATOM 0 HA LYS A 94 1.266 -4.163 -17.516 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.273 -4.659 -19.514 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -0.920 -3.040 -19.338 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.268 -2.030 -19.742 1.00 3.43 H new ATOM 0 HG3 LYS A 94 2.073 -3.583 -19.633 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.800 -2.973 -22.010 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.816 -4.379 -21.657 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -1.216 -3.112 -21.637 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.377 -1.591 -21.401 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.217 -2.144 -23.738 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 0.374 -1.566 -23.601 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 0.090 -3.223 -23.835 1.00 6.36 H new ATOM 1464 N ILE A 95 1.553 -1.720 -16.942 1.00 0.00 N ATOM 1465 CA ILE A 95 1.688 -0.324 -16.403 1.00 0.01 C ATOM 1466 C ILE A 95 2.614 0.494 -17.305 1.00 0.01 C ATOM 1467 O ILE A 95 3.592 0.000 -17.834 1.00 0.01 O ATOM 1468 CB ILE A 95 2.266 -0.374 -14.982 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.212 1.025 -14.359 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.718 -0.850 -15.031 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.541 0.933 -12.869 1.00 1.09 C ATOM 0 H ILE A 95 2.435 -2.192 -17.142 1.00 0.00 H new ATOM 0 HA ILE A 95 0.705 0.146 -16.378 1.00 0.01 H new ATOM 0 HB ILE A 95 1.678 -1.067 -14.380 1.00 0.34 H new ATOM 0 HG12 ILE A 95 2.921 1.685 -14.859 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.221 1.458 -14.497 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.124 -0.884 -14.020 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.760 -1.846 -15.472 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.307 -0.160 -15.636 1.00 0.36 H new ATOM 0 HD11 ILE A 95 2.503 1.928 -12.426 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.815 0.288 -12.375 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.541 0.518 -12.742 1.00 1.09 H new ATOM 1483 N GLN A 96 2.327 1.766 -17.432 1.00 0.01 N ATOM 1484 CA GLN A 96 3.187 2.687 -18.237 1.00 0.01 C ATOM 1485 C GLN A 96 3.635 3.821 -17.306 1.00 0.01 C ATOM 1486 O GLN A 96 2.828 4.394 -16.598 1.00 0.00 O ATOM 1487 CB GLN A 96 2.403 3.243 -19.437 1.00 0.53 C ATOM 1488 CG GLN A 96 0.924 3.363 -19.079 1.00 0.82 C ATOM 1489 CD GLN A 96 0.270 1.977 -19.114 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.354 1.559 -18.158 1.00 1.75 O ATOM 1491 NE2 GLN A 96 0.389 1.241 -20.186 1.00 2.05 N ATOM 0 H GLN A 96 1.517 2.213 -17.003 1.00 0.01 H new ATOM 0 HA GLN A 96 4.053 2.158 -18.635 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.798 4.219 -19.720 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.526 2.587 -20.299 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.814 3.803 -18.088 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.423 4.030 -19.781 1.00 0.82 H new ATOM 0 HE21 GLN A 96 0.912 1.590 -20.989 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.041 0.317 -20.220 1.00 2.05 H new ATOM 1500 N VAL A 97 4.898 4.160 -17.296 1.00 0.01 N ATOM 1501 CA VAL A 97 5.387 5.263 -16.400 1.00 0.01 C ATOM 1502 C VAL A 97 6.128 6.308 -17.232 1.00 0.01 C ATOM 1503 O VAL A 97 6.718 6.005 -18.249 1.00 0.01 O ATOM 1504 CB VAL A 97 6.342 4.679 -15.354 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.632 3.571 -14.578 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.576 4.103 -16.054 1.00 1.03 C ATOM 0 H VAL A 97 5.618 3.722 -17.870 1.00 0.01 H new ATOM 0 HA VAL A 97 4.537 5.731 -15.903 1.00 0.01 H new ATOM 0 HB VAL A 97 6.650 5.465 -14.664 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.311 3.155 -13.834 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.754 3.981 -14.079 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.323 2.785 -15.267 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.256 3.687 -15.310 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.269 3.317 -16.744 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.083 4.894 -16.607 1.00 1.03 H new ATOM 1516 N PHE A 98 6.075 7.550 -16.806 1.00 0.01 N ATOM 1517 CA PHE A 98 6.748 8.655 -17.567 1.00 0.01 C ATOM 1518 C PHE A 98 7.819 9.339 -16.710 1.00 0.01 C ATOM 1519 O PHE A 98 7.672 9.519 -15.516 1.00 0.01 O ATOM 1520 CB PHE A 98 5.697 9.687 -17.983 1.00 0.25 C ATOM 1521 CG PHE A 98 4.854 9.127 -19.109 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.956 8.083 -18.856 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.965 9.654 -20.403 1.00 0.58 C ATOM 1524 CE1 PHE A 98 3.172 7.566 -19.894 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.180 9.136 -21.440 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.282 8.092 -21.185 1.00 0.69 C ATOM 0 H PHE A 98 5.591 7.848 -15.959 1.00 0.01 H new ATOM 0 HA PHE A 98 7.231 8.229 -18.447 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.064 9.940 -17.132 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.184 10.608 -18.303 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.868 7.676 -17.859 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.656 10.460 -20.600 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.481 6.760 -19.697 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.267 9.542 -22.437 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.675 7.694 -21.985 1.00 0.69 H new ATOM 1536 N GLU A 99 8.910 9.685 -17.334 1.00 0.01 N ATOM 1537 CA GLU A 99 10.043 10.324 -16.600 1.00 0.01 C ATOM 1538 C GLU A 99 9.660 11.716 -16.074 1.00 0.01 C ATOM 1539 O GLU A 99 10.187 12.160 -15.073 1.00 0.01 O ATOM 1540 CB GLU A 99 11.242 10.460 -17.538 1.00 0.01 C ATOM 1541 CG GLU A 99 12.442 11.000 -16.759 1.00 0.01 C ATOM 1542 CD GLU A 99 13.715 10.790 -17.578 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.823 9.752 -18.210 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.562 11.669 -17.561 1.00 0.01 O ATOM 0 H GLU A 99 9.069 9.552 -18.333 1.00 0.01 H new ATOM 0 HA GLU A 99 10.292 9.691 -15.748 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.486 9.492 -17.976 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.998 11.131 -18.362 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.304 12.060 -16.546 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.526 10.490 -15.799 1.00 0.01 H new ATOM 1551 N LYS A 100 8.765 12.415 -16.735 1.00 0.01 N ATOM 1552 CA LYS A 100 8.373 13.791 -16.265 1.00 0.01 C ATOM 1553 C LYS A 100 6.896 13.815 -15.865 1.00 0.01 C ATOM 1554 O LYS A 100 6.157 12.882 -16.102 1.00 0.01 O ATOM 1555 CB LYS A 100 8.611 14.805 -17.386 1.00 0.94 C ATOM 1556 CG LYS A 100 10.080 14.749 -17.815 1.00 1.63 C ATOM 1557 CD LYS A 100 10.260 15.526 -19.119 1.00 2.19 C ATOM 1558 CE LYS A 100 11.746 15.578 -19.480 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.263 14.191 -19.656 1.00 3.18 N ATOM 0 H LYS A 100 8.288 12.096 -17.578 1.00 0.01 H new ATOM 0 HA LYS A 100 8.981 14.051 -15.398 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.964 14.585 -18.235 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.358 15.809 -17.044 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.714 15.173 -17.036 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.391 13.713 -17.950 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.697 15.048 -19.920 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.865 16.536 -19.010 1.00 2.19 H new ATOM 0 HE2 LYS A 100 11.889 16.150 -20.397 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.304 16.089 -18.695 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.041 14.023 -18.986 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.498 13.510 -19.476 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 12.612 14.071 -20.629 1.00 3.18 H new ATOM 1573 N GLY A 101 6.474 14.882 -15.241 1.00 0.01 N ATOM 1574 CA GLY A 101 5.056 14.992 -14.793 1.00 0.01 C ATOM 1575 C GLY A 101 4.116 15.130 -15.993 1.00 0.00 C ATOM 1576 O GLY A 101 4.526 15.436 -17.095 1.00 0.01 O ATOM 0 H GLY A 101 7.057 15.689 -15.021 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.784 14.111 -14.212 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.943 15.854 -14.136 1.00 0.01 H new ATOM 1580 N ASP A 102 2.846 14.927 -15.761 1.00 0.01 N ATOM 1581 CA ASP A 102 1.828 15.061 -16.845 1.00 0.00 C ATOM 1582 C ASP A 102 2.149 14.143 -18.025 1.00 0.00 C ATOM 1583 O ASP A 102 1.932 14.479 -19.172 1.00 0.01 O ATOM 1584 CB ASP A 102 1.786 16.513 -17.322 1.00 0.01 C ATOM 1585 CG ASP A 102 1.653 17.440 -16.114 1.00 0.01 C ATOM 1586 OD1 ASP A 102 2.624 17.577 -15.390 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.582 17.995 -15.932 1.00 0.01 O ATOM 0 H ASP A 102 2.465 14.670 -14.851 1.00 0.01 H new ATOM 0 HA ASP A 102 0.858 14.770 -16.443 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.692 16.751 -17.879 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.947 16.660 -18.001 1.00 0.01 H new ATOM 1592 N PHE A 103 2.626 12.967 -17.738 1.00 0.01 N ATOM 1593 CA PHE A 103 2.924 11.985 -18.818 1.00 0.01 C ATOM 1594 C PHE A 103 3.831 12.590 -19.890 1.00 0.00 C ATOM 1595 O PHE A 103 3.518 12.555 -21.064 1.00 0.01 O ATOM 1596 CB PHE A 103 1.609 11.536 -19.462 1.00 0.01 C ATOM 1597 CG PHE A 103 0.563 11.355 -18.385 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.730 10.365 -17.410 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.571 12.178 -18.357 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.235 10.197 -16.410 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.535 12.010 -17.356 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.367 11.019 -16.383 1.00 0.01 C ATOM 0 H PHE A 103 2.825 12.639 -16.793 1.00 0.01 H new ATOM 0 HA PHE A 103 3.443 11.135 -18.375 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.275 12.276 -20.189 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.756 10.601 -20.003 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.604 9.730 -17.429 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.701 12.943 -19.108 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.106 9.432 -15.659 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.408 12.645 -17.335 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.111 10.888 -15.611 1.00 0.01 H new ATOM 1612 N ASN A 104 4.965 13.115 -19.504 1.00 0.00 N ATOM 1613 CA ASN A 104 5.923 13.697 -20.500 1.00 0.01 C ATOM 1614 C ASN A 104 7.305 13.094 -20.247 1.00 0.01 C ATOM 1615 O ASN A 104 7.546 12.490 -19.219 1.00 0.01 O ATOM 1616 CB ASN A 104 5.993 15.214 -20.327 1.00 1.68 C ATOM 1617 CG ASN A 104 4.725 15.848 -20.901 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.961 15.195 -21.583 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.467 17.102 -20.649 1.00 2.38 N ATOM 0 H ASN A 104 5.274 13.167 -18.533 1.00 0.00 H new ATOM 0 HA ASN A 104 5.589 13.471 -21.513 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.094 15.467 -19.272 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.873 15.609 -20.835 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.623 17.535 -21.025 1.00 2.38 H new ATOM 0 HD22 ASN A 104 5.109 17.650 -20.076 1.00 2.38 H new ATOM 1626 N GLY A 105 8.215 13.233 -21.176 1.00 0.01 N ATOM 1627 CA GLY A 105 9.579 12.655 -20.980 1.00 0.01 C ATOM 1628 C GLY A 105 9.629 11.256 -21.586 1.00 0.01 C ATOM 1629 O GLY A 105 8.768 10.878 -22.356 1.00 0.01 O ATOM 0 H GLY A 105 8.074 13.721 -22.061 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.327 13.293 -21.450 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.818 12.612 -19.917 1.00 0.01 H new ATOM 1633 N GLN A 106 10.614 10.475 -21.241 1.00 0.01 N ATOM 1634 CA GLN A 106 10.695 9.096 -21.794 1.00 0.01 C ATOM 1635 C GLN A 106 9.657 8.225 -21.085 1.00 0.01 C ATOM 1636 O GLN A 106 9.387 8.388 -19.911 1.00 0.01 O ATOM 1637 CB GLN A 106 12.096 8.530 -21.550 1.00 0.01 C ATOM 1638 CG GLN A 106 12.250 7.202 -22.294 1.00 0.01 C ATOM 1639 CD GLN A 106 12.291 7.460 -23.801 1.00 0.01 C ATOM 1640 OE1 GLN A 106 12.887 8.420 -24.249 1.00 0.01 O ATOM 1641 NE2 GLN A 106 11.680 6.635 -24.608 1.00 0.01 N ATOM 0 H GLN A 106 11.365 10.732 -20.601 1.00 0.01 H new ATOM 0 HA GLN A 106 10.499 9.110 -22.866 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.850 9.239 -21.891 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.258 8.381 -20.482 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.163 6.699 -21.976 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.420 6.539 -22.051 1.00 0.01 H new ATOM 0 HE21 GLN A 106 11.180 5.830 -24.231 1.00 0.01 H new ATOM 0 HE22 GLN A 106 11.703 6.796 -25.615 1.00 0.01 H new ATOM 1650 N MET A 107 9.064 7.310 -21.809 1.00 0.01 N ATOM 1651 CA MET A 107 8.022 6.414 -21.214 1.00 0.01 C ATOM 1652 C MET A 107 8.500 4.964 -21.256 1.00 0.01 C ATOM 1653 O MET A 107 9.120 4.526 -22.204 1.00 0.01 O ATOM 1654 CB MET A 107 6.723 6.533 -22.022 1.00 0.00 C ATOM 1655 CG MET A 107 5.654 5.594 -21.443 1.00 0.01 C ATOM 1656 SD MET A 107 5.880 3.928 -22.116 1.00 0.01 S ATOM 1657 CE MET A 107 4.737 4.082 -23.511 1.00 0.01 C ATOM 0 H MET A 107 9.258 7.143 -22.796 1.00 0.01 H new ATOM 0 HA MET A 107 7.846 6.711 -20.180 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.365 7.562 -22.000 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.911 6.283 -23.066 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.726 5.571 -20.356 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.659 5.964 -21.688 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.721 3.148 -24.073 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.736 4.298 -23.139 1.00 0.01 H new ATOM 0 HE3 MET A 107 5.065 4.892 -24.162 1.00 0.01 H new ATOM 1667 N TYR A 108 8.186 4.212 -20.234 1.00 0.01 N ATOM 1668 CA TYR A 108 8.575 2.771 -20.178 1.00 0.00 C ATOM 1669 C TYR A 108 7.339 1.953 -19.779 1.00 0.01 C ATOM 1670 O TYR A 108 6.591 2.325 -18.895 1.00 0.01 O ATOM 1671 CB TYR A 108 9.671 2.574 -19.132 1.00 0.54 C ATOM 1672 CG TYR A 108 10.973 3.132 -19.656 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.722 2.402 -20.586 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.430 4.378 -19.211 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.930 2.918 -21.070 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.638 4.895 -19.696 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.388 4.164 -20.625 1.00 1.82 C ATOM 1678 OH TYR A 108 14.579 4.672 -21.103 1.00 2.48 O ATOM 0 H TYR A 108 7.667 4.542 -19.420 1.00 0.01 H new ATOM 0 HA TYR A 108 8.948 2.447 -21.149 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.396 3.074 -18.203 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.783 1.514 -18.902 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.368 1.441 -20.930 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.851 4.941 -18.494 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.509 2.355 -21.787 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.991 5.857 -19.354 1.00 1.51 H new ATOM 0 HH TYR A 108 14.750 5.546 -20.694 1.00 2.48 H new ATOM 1688 N GLU A 109 7.112 0.851 -20.452 1.00 0.01 N ATOM 1689 CA GLU A 109 5.915 -0.008 -20.164 1.00 0.01 C ATOM 1690 C GLU A 109 6.365 -1.415 -19.777 1.00 0.01 C ATOM 1691 O GLU A 109 7.237 -1.987 -20.399 1.00 0.01 O ATOM 1692 CB GLU A 109 5.055 -0.068 -21.428 1.00 0.01 C ATOM 1693 CG GLU A 109 3.748 -0.802 -21.127 1.00 0.01 C ATOM 1694 CD GLU A 109 2.745 -0.543 -22.252 1.00 0.00 C ATOM 1695 OE1 GLU A 109 3.161 -0.537 -23.399 1.00 0.00 O ATOM 1696 OE2 GLU A 109 1.579 -0.354 -21.948 1.00 0.00 O ATOM 0 H GLU A 109 7.713 0.504 -21.200 1.00 0.01 H new ATOM 0 HA GLU A 109 5.342 0.412 -19.337 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.844 0.940 -21.784 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.596 -0.580 -22.224 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.934 -1.872 -21.030 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.339 -0.462 -20.176 1.00 0.01 H new ATOM 1703 N THR A 110 5.780 -1.981 -18.747 1.00 0.01 N ATOM 1704 CA THR A 110 6.187 -3.354 -18.323 1.00 0.00 C ATOM 1705 C THR A 110 5.008 -4.099 -17.686 1.00 0.01 C ATOM 1706 O THR A 110 4.097 -3.515 -17.128 1.00 0.01 O ATOM 1707 CB THR A 110 7.330 -3.260 -17.308 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.675 -4.565 -16.864 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.889 -2.412 -16.114 1.00 1.69 C ATOM 0 H THR A 110 5.043 -1.553 -18.187 1.00 0.01 H new ATOM 0 HA THR A 110 6.515 -3.904 -19.205 1.00 0.00 H new ATOM 0 HB THR A 110 8.196 -2.795 -17.779 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.408 -4.507 -16.216 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.704 -2.347 -15.393 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.626 -1.411 -16.456 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.022 -2.873 -15.641 1.00 1.69 H new ATOM 1717 N THR A 111 5.039 -5.401 -17.786 1.00 0.00 N ATOM 1718 CA THR A 111 3.952 -6.260 -17.216 1.00 0.01 C ATOM 1719 C THR A 111 4.475 -7.025 -15.997 1.00 0.01 C ATOM 1720 O THR A 111 3.827 -7.931 -15.509 1.00 0.01 O ATOM 1721 CB THR A 111 3.492 -7.259 -18.281 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.585 -8.090 -18.650 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.986 -6.501 -19.509 1.00 0.01 C ATOM 0 H THR A 111 5.787 -5.919 -18.248 1.00 0.00 H new ATOM 0 HA THR A 111 3.117 -5.630 -16.911 1.00 0.01 H new ATOM 0 HB THR A 111 2.686 -7.874 -17.881 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.293 -8.732 -19.331 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.659 -7.213 -20.267 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.149 -5.864 -19.224 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.789 -5.885 -19.913 1.00 0.01 H new ATOM 1731 N GLU A 112 5.653 -6.693 -15.521 1.00 0.01 N ATOM 1732 CA GLU A 112 6.239 -7.429 -14.350 1.00 0.01 C ATOM 1733 C GLU A 112 6.516 -6.482 -13.176 1.00 0.01 C ATOM 1734 O GLU A 112 6.589 -5.278 -13.331 1.00 0.01 O ATOM 1735 CB GLU A 112 7.556 -8.070 -14.787 1.00 0.85 C ATOM 1736 CG GLU A 112 7.303 -8.992 -15.983 1.00 1.61 C ATOM 1737 CD GLU A 112 6.434 -10.169 -15.542 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.994 -11.153 -15.089 1.00 3.21 O ATOM 1739 OE2 GLU A 112 5.225 -10.067 -15.662 1.00 3.07 O ATOM 0 H GLU A 112 6.236 -5.943 -15.893 1.00 0.01 H new ATOM 0 HA GLU A 112 5.524 -8.183 -14.021 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.277 -7.298 -15.056 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.988 -8.637 -13.962 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.809 -8.441 -16.783 1.00 1.61 H new ATOM 0 HG3 GLU A 112 8.250 -9.355 -16.383 1.00 1.61 H new ATOM 1746 N ASP A 113 6.701 -7.035 -12.006 1.00 0.01 N ATOM 1747 CA ASP A 113 7.012 -6.200 -10.807 1.00 0.01 C ATOM 1748 C ASP A 113 8.394 -5.575 -11.009 1.00 0.00 C ATOM 1749 O ASP A 113 9.222 -6.107 -11.720 1.00 0.01 O ATOM 1750 CB ASP A 113 7.037 -7.091 -9.563 1.00 0.01 C ATOM 1751 CG ASP A 113 7.758 -8.400 -9.888 1.00 0.01 C ATOM 1752 OD1 ASP A 113 8.846 -8.329 -10.432 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.210 -9.448 -9.587 1.00 0.00 O ATOM 0 H ASP A 113 6.650 -8.038 -11.828 1.00 0.01 H new ATOM 0 HA ASP A 113 6.258 -5.423 -10.678 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.543 -6.578 -8.745 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.020 -7.297 -9.229 1.00 0.01 H new ATOM 1758 N CYS A 114 8.661 -4.465 -10.359 1.00 0.01 N ATOM 1759 CA CYS A 114 10.004 -3.809 -10.476 1.00 0.01 C ATOM 1760 C CYS A 114 10.600 -3.632 -9.063 1.00 0.01 C ATOM 1761 O CYS A 114 10.087 -2.838 -8.294 1.00 0.01 O ATOM 1762 CB CYS A 114 9.825 -2.429 -11.100 1.00 0.01 C ATOM 1763 SG CYS A 114 9.463 -2.607 -12.862 1.00 0.01 S ATOM 0 H CYS A 114 8.001 -3.983 -9.749 1.00 0.01 H new ATOM 0 HA CYS A 114 10.664 -4.421 -11.091 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.014 -1.896 -10.603 1.00 0.01 H new ATOM 0 HB3 CYS A 114 10.729 -1.835 -10.962 1.00 0.01 H new ATOM 0 HG CYS A 114 8.316 -2.055 -13.127 1.00 0.01 H new ATOM 1769 N PRO A 115 11.673 -4.324 -8.701 1.00 0.01 N ATOM 1770 CA PRO A 115 12.268 -4.139 -7.345 1.00 0.01 C ATOM 1771 C PRO A 115 13.073 -2.837 -7.256 1.00 0.01 C ATOM 1772 O PRO A 115 13.138 -2.213 -6.215 1.00 0.01 O ATOM 1773 CB PRO A 115 13.175 -5.373 -7.213 1.00 0.01 C ATOM 1774 CG PRO A 115 13.416 -5.930 -8.629 1.00 0.01 C ATOM 1775 CD PRO A 115 12.357 -5.327 -9.573 1.00 0.01 C ATOM 0 HA PRO A 115 11.525 -4.058 -6.552 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.120 -5.104 -6.742 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.706 -6.127 -6.580 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.419 -5.675 -8.972 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.347 -7.018 -8.626 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.812 -4.861 -10.447 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.664 -6.084 -9.940 1.00 0.01 H new ATOM 1783 N SER A 116 13.691 -2.427 -8.334 1.00 0.01 N ATOM 1784 CA SER A 116 14.498 -1.170 -8.314 1.00 0.02 C ATOM 1785 C SER A 116 14.284 -0.421 -9.628 1.00 0.01 C ATOM 1786 O SER A 116 14.736 -0.831 -10.680 1.00 0.00 O ATOM 1787 CB SER A 116 15.976 -1.519 -8.151 1.00 0.01 C ATOM 1788 OG SER A 116 16.751 -0.333 -8.248 1.00 0.01 O ATOM 0 H SER A 116 13.671 -2.911 -9.231 1.00 0.01 H new ATOM 0 HA SER A 116 14.186 -0.540 -7.481 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.144 -1.999 -7.187 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.281 -2.230 -8.919 1.00 0.01 H new ATOM 0 HG SER A 116 17.700 -0.553 -8.142 1.00 0.01 H new ATOM 1794 N ILE A 117 13.567 0.666 -9.567 1.00 0.01 N ATOM 1795 CA ILE A 117 13.272 1.456 -10.793 1.00 0.01 C ATOM 1796 C ILE A 117 14.561 2.028 -11.388 1.00 0.01 C ATOM 1797 O ILE A 117 14.718 2.074 -12.591 1.00 0.00 O ATOM 1798 CB ILE A 117 12.300 2.590 -10.422 1.00 0.57 C ATOM 1799 CG1 ILE A 117 10.878 2.027 -10.342 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.336 3.712 -11.469 1.00 0.93 C ATOM 1801 CD1 ILE A 117 9.966 3.042 -9.664 1.00 1.83 C ATOM 0 H ILE A 117 13.168 1.045 -8.708 1.00 0.01 H new ATOM 0 HA ILE A 117 12.817 0.811 -11.545 1.00 0.01 H new ATOM 0 HB ILE A 117 12.602 3.003 -9.460 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.508 1.801 -11.342 1.00 1.44 H new ATOM 0 HG13 ILE A 117 10.877 1.091 -9.783 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.640 4.500 -11.182 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.344 4.122 -11.528 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.050 3.312 -12.441 1.00 0.93 H new ATOM 0 HD11 ILE A 117 8.954 2.641 -9.607 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.333 3.246 -8.658 1.00 1.83 H new ATOM 0 HD13 ILE A 117 9.958 3.967 -10.241 1.00 1.83 H new ATOM 1813 N MET A 118 15.466 2.491 -10.570 1.00 0.02 N ATOM 1814 CA MET A 118 16.712 3.083 -11.128 1.00 0.01 C ATOM 1815 C MET A 118 17.531 2.002 -11.828 1.00 0.01 C ATOM 1816 O MET A 118 18.130 2.242 -12.853 1.00 0.02 O ATOM 1817 CB MET A 118 17.540 3.730 -10.013 1.00 0.24 C ATOM 1818 CG MET A 118 18.898 4.191 -10.560 1.00 0.63 C ATOM 1819 SD MET A 118 20.062 2.805 -10.534 1.00 1.20 S ATOM 1820 CE MET A 118 21.562 3.759 -10.865 1.00 1.34 C ATOM 0 H MET A 118 15.398 2.485 -9.552 1.00 0.02 H new ATOM 0 HA MET A 118 16.442 3.852 -11.852 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.000 4.580 -9.596 1.00 0.24 H new ATOM 0 HB3 MET A 118 17.689 3.018 -9.201 1.00 0.24 H new ATOM 0 HG2 MET A 118 18.784 4.565 -11.578 1.00 0.63 H new ATOM 0 HG3 MET A 118 19.283 5.015 -9.959 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.421 3.089 -10.893 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.466 4.266 -11.825 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.704 4.498 -10.077 1.00 1.34 H new ATOM 1830 N GLU A 119 17.571 0.816 -11.306 1.00 0.01 N ATOM 1831 CA GLU A 119 18.364 -0.242 -11.980 1.00 0.02 C ATOM 1832 C GLU A 119 17.674 -0.654 -13.283 1.00 0.02 C ATOM 1833 O GLU A 119 18.314 -0.953 -14.270 1.00 0.01 O ATOM 1834 CB GLU A 119 18.479 -1.456 -11.054 1.00 0.30 C ATOM 1835 CG GLU A 119 19.597 -2.376 -11.552 1.00 0.99 C ATOM 1836 CD GLU A 119 20.956 -1.750 -11.229 1.00 1.69 C ATOM 1837 OE1 GLU A 119 21.442 -0.984 -12.046 1.00 2.11 O ATOM 1838 OE2 GLU A 119 21.486 -2.047 -10.172 1.00 2.07 O ATOM 0 H GLU A 119 17.094 0.533 -10.450 1.00 0.01 H new ATOM 0 HA GLU A 119 19.359 0.140 -12.207 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.689 -1.131 -10.035 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.533 -1.997 -11.028 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.514 -3.355 -11.080 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.503 -2.532 -12.627 1.00 0.99 H new ATOM 1845 N GLN A 120 16.371 -0.728 -13.273 1.00 0.00 N ATOM 1846 CA GLN A 120 15.635 -1.186 -14.487 1.00 0.01 C ATOM 1847 C GLN A 120 15.476 -0.071 -15.528 1.00 0.01 C ATOM 1848 O GLN A 120 15.665 -0.294 -16.708 1.00 0.01 O ATOM 1849 CB GLN A 120 14.245 -1.674 -14.070 1.00 0.52 C ATOM 1850 CG GLN A 120 13.634 -2.512 -15.197 1.00 1.07 C ATOM 1851 CD GLN A 120 14.306 -3.884 -15.235 1.00 1.08 C ATOM 1852 OE1 GLN A 120 15.250 -4.091 -15.971 1.00 0.98 O ATOM 1853 NE2 GLN A 120 13.858 -4.837 -14.465 1.00 2.08 N ATOM 0 H GLN A 120 15.782 -0.490 -12.475 1.00 0.00 H new ATOM 0 HA GLN A 120 16.216 -1.988 -14.944 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.316 -2.268 -13.159 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.602 -0.823 -13.847 1.00 0.52 H new ATOM 0 HG2 GLN A 120 12.561 -2.625 -15.040 1.00 1.07 H new ATOM 0 HG3 GLN A 120 13.764 -2.005 -16.153 1.00 1.07 H new ATOM 0 HE21 GLN A 120 13.065 -4.663 -13.847 1.00 2.08 H new ATOM 0 HE22 GLN A 120 14.300 -5.756 -14.481 1.00 2.08 H new ATOM 1862 N PHE A 121 15.056 1.100 -15.112 1.00 0.02 N ATOM 1863 CA PHE A 121 14.790 2.209 -16.092 1.00 0.01 C ATOM 1864 C PHE A 121 15.792 3.358 -15.968 1.00 0.01 C ATOM 1865 O PHE A 121 15.720 4.324 -16.700 1.00 0.01 O ATOM 1866 CB PHE A 121 13.375 2.733 -15.849 1.00 0.01 C ATOM 1867 CG PHE A 121 12.397 1.589 -15.994 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.132 1.055 -17.260 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.763 1.059 -14.863 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.231 -0.009 -17.397 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.863 -0.005 -15.000 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.596 -0.538 -16.267 1.00 0.01 C ATOM 0 H PHE A 121 14.885 1.339 -14.135 1.00 0.02 H new ATOM 0 HA PHE A 121 14.896 1.806 -17.099 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.300 3.169 -14.853 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.138 3.524 -16.561 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.622 1.463 -18.132 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.968 1.471 -13.886 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.026 -0.421 -18.374 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.375 -0.415 -14.128 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.900 -1.357 -16.373 1.00 0.01 H new ATOM 1882 N HIS A 122 16.721 3.276 -15.059 1.00 0.01 N ATOM 1883 CA HIS A 122 17.712 4.379 -14.906 1.00 0.01 C ATOM 1884 C HIS A 122 16.986 5.677 -14.541 1.00 0.01 C ATOM 1885 O HIS A 122 17.393 6.752 -14.927 1.00 0.02 O ATOM 1886 CB HIS A 122 18.487 4.547 -16.218 1.00 0.01 C ATOM 1887 CG HIS A 122 18.751 3.193 -16.820 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.648 2.953 -18.181 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.115 1.995 -16.255 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.945 1.657 -18.388 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.238 1.027 -17.248 1.00 0.01 N ATOM 0 H HIS A 122 16.838 2.494 -14.415 1.00 0.01 H new ATOM 0 HA HIS A 122 18.414 4.138 -14.108 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.916 5.162 -16.914 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.428 5.065 -16.033 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.281 1.829 -15.201 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.946 1.184 -19.359 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.496 0.047 -17.130 1.00 0.01 H new ATOM 1899 N LEU A 123 15.909 5.579 -13.789 1.00 0.01 N ATOM 1900 CA LEU A 123 15.140 6.805 -13.381 1.00 0.01 C ATOM 1901 C LEU A 123 15.244 6.984 -11.864 1.00 0.02 C ATOM 1902 O LEU A 123 15.131 6.038 -11.108 1.00 0.01 O ATOM 1903 CB LEU A 123 13.669 6.646 -13.773 1.00 0.01 C ATOM 1904 CG LEU A 123 13.562 6.262 -15.251 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.085 6.164 -15.643 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.256 7.324 -16.119 1.00 0.01 C ATOM 0 H LEU A 123 15.529 4.699 -13.439 1.00 0.01 H new ATOM 0 HA LEU A 123 15.555 7.678 -13.885 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.200 5.881 -13.155 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.132 7.577 -13.590 1.00 0.01 H new ATOM 0 HG LEU A 123 14.048 5.299 -15.410 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.005 5.891 -16.695 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.596 5.405 -15.033 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.601 7.127 -15.481 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.176 7.044 -17.169 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.777 8.291 -15.963 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.308 7.391 -15.840 1.00 0.01 H new ATOM 1918 N ARG A 124 15.477 8.188 -11.411 1.00 0.01 N ATOM 1919 CA ARG A 124 15.611 8.432 -9.944 1.00 0.00 C ATOM 1920 C ARG A 124 14.252 8.777 -9.320 1.00 0.01 C ATOM 1921 O ARG A 124 14.060 8.649 -8.128 1.00 0.01 O ATOM 1922 CB ARG A 124 16.583 9.596 -9.718 1.00 1.67 C ATOM 1923 CG ARG A 124 16.297 10.701 -10.739 1.00 1.98 C ATOM 1924 CD ARG A 124 16.997 11.991 -10.306 1.00 2.92 C ATOM 1925 NE ARG A 124 16.258 12.593 -9.160 1.00 3.54 N ATOM 1926 CZ ARG A 124 16.819 13.522 -8.437 1.00 4.57 C ATOM 1927 NH1 ARG A 124 18.026 13.927 -8.718 1.00 5.25 N ATOM 1928 NH2 ARG A 124 16.171 14.046 -7.432 1.00 5.32 N ATOM 0 H ARG A 124 15.581 9.017 -11.997 1.00 0.01 H new ATOM 0 HA ARG A 124 15.988 7.525 -9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.474 9.984 -8.705 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.612 9.250 -9.818 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.647 10.398 -11.726 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.223 10.867 -10.819 1.00 1.98 H new ATOM 0 HD2 ARG A 124 18.027 11.780 -10.019 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.036 12.694 -11.138 1.00 2.92 H new ATOM 0 HE ARG A 124 15.313 12.278 -8.941 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.532 13.517 -9.503 1.00 5.25 H new ATOM 0 HH12 ARG A 124 18.465 14.654 -8.152 1.00 5.25 H new ATOM 0 HH21 ARG A 124 15.227 13.729 -7.213 1.00 5.32 H new ATOM 0 HH22 ARG A 124 16.609 14.773 -6.866 1.00 5.32 H new ATOM 1942 N GLU A 125 13.313 9.240 -10.106 1.00 0.01 N ATOM 1943 CA GLU A 125 11.979 9.619 -9.541 1.00 0.01 C ATOM 1944 C GLU A 125 10.879 9.374 -10.580 1.00 0.01 C ATOM 1945 O GLU A 125 11.147 9.247 -11.759 1.00 0.01 O ATOM 1946 CB GLU A 125 11.990 11.106 -9.184 1.00 0.01 C ATOM 1947 CG GLU A 125 12.959 11.346 -8.024 1.00 0.01 C ATOM 1948 CD GLU A 125 12.773 12.766 -7.489 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.398 13.627 -8.267 1.00 0.01 O ATOM 1950 OE2 GLU A 125 13.010 12.969 -6.309 1.00 0.02 O ATOM 0 H GLU A 125 13.411 9.372 -11.113 1.00 0.01 H new ATOM 0 HA GLU A 125 11.784 9.015 -8.654 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.289 11.696 -10.050 1.00 0.01 H new ATOM 0 HB3 GLU A 125 10.987 11.432 -8.907 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.780 10.621 -7.230 1.00 0.01 H new ATOM 0 HG3 GLU A 125 13.986 11.204 -8.359 1.00 0.01 H new ATOM 1957 N ILE A 126 9.637 9.342 -10.153 1.00 0.01 N ATOM 1958 CA ILE A 126 8.496 9.142 -11.107 1.00 0.01 C ATOM 1959 C ILE A 126 7.482 10.260 -10.851 1.00 0.01 C ATOM 1960 O ILE A 126 7.069 10.471 -9.727 1.00 0.01 O ATOM 1961 CB ILE A 126 7.820 7.791 -10.835 1.00 1.33 C ATOM 1962 CG1 ILE A 126 8.867 6.662 -10.829 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.758 7.517 -11.906 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.598 6.549 -12.180 1.00 1.70 C ATOM 0 H ILE A 126 9.363 9.447 -9.176 1.00 0.01 H new ATOM 0 HA ILE A 126 8.855 9.159 -12.136 1.00 0.01 H new ATOM 0 HB ILE A 126 7.340 7.827 -9.857 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.594 6.845 -10.037 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.378 5.715 -10.600 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.281 6.557 -11.708 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.007 8.307 -11.884 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.230 7.492 -12.888 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.328 5.741 -12.132 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.875 6.339 -12.968 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.109 7.487 -12.397 1.00 1.70 H new ATOM 1976 N HIS A 127 7.114 11.011 -11.866 1.00 0.01 N ATOM 1977 CA HIS A 127 6.167 12.160 -11.648 1.00 0.01 C ATOM 1978 C HIS A 127 4.796 11.926 -12.290 1.00 0.01 C ATOM 1979 O HIS A 127 3.842 12.612 -11.980 1.00 0.01 O ATOM 1980 CB HIS A 127 6.784 13.434 -12.226 1.00 0.02 C ATOM 1981 CG HIS A 127 8.176 13.602 -11.686 1.00 0.01 C ATOM 1982 ND1 HIS A 127 8.461 14.468 -10.645 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.371 13.021 -12.031 1.00 0.01 C ATOM 1984 CE1 HIS A 127 9.782 14.386 -10.399 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.385 13.518 -11.217 1.00 0.02 N ATOM 0 H HIS A 127 7.425 10.881 -12.829 1.00 0.01 H new ATOM 0 HA HIS A 127 6.010 12.255 -10.574 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.808 13.378 -13.314 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.174 14.298 -11.964 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.504 12.290 -12.815 1.00 0.01 H new ATOM 0 HE1 HIS A 127 10.292 14.952 -9.634 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.375 13.273 -11.240 1.00 0.02 H new ATOM 1993 N SER A 128 4.669 10.958 -13.156 1.00 0.01 N ATOM 1994 CA SER A 128 3.341 10.686 -13.778 1.00 0.01 C ATOM 1995 C SER A 128 3.334 9.263 -14.337 1.00 0.01 C ATOM 1996 O SER A 128 4.360 8.719 -14.695 1.00 0.01 O ATOM 1997 CB SER A 128 3.099 11.679 -14.914 1.00 0.01 C ATOM 1998 OG SER A 128 2.755 12.942 -14.366 1.00 0.01 O ATOM 0 H SER A 128 5.425 10.345 -13.460 1.00 0.01 H new ATOM 0 HA SER A 128 2.555 10.792 -13.030 1.00 0.01 H new ATOM 0 HB2 SER A 128 3.993 11.769 -15.531 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.299 11.321 -15.562 1.00 0.01 H new ATOM 0 HG SER A 128 2.808 12.900 -13.388 1.00 0.01 H new ATOM 2004 N CYS A 129 2.184 8.651 -14.403 1.00 0.01 N ATOM 2005 CA CYS A 129 2.100 7.261 -14.924 1.00 0.01 C ATOM 2006 C CYS A 129 0.626 6.913 -15.144 1.00 0.00 C ATOM 2007 O CYS A 129 -0.237 7.415 -14.445 1.00 0.01 O ATOM 2008 CB CYS A 129 2.716 6.294 -13.909 1.00 0.69 C ATOM 2009 SG CYS A 129 1.736 6.311 -12.386 1.00 1.22 S ATOM 0 H CYS A 129 1.294 9.058 -14.116 1.00 0.01 H new ATOM 0 HA CYS A 129 2.645 7.179 -15.864 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.746 5.286 -14.323 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.745 6.582 -13.695 1.00 0.69 H new ATOM 0 HG CYS A 129 0.585 6.870 -12.617 1.00 1.22 H new ATOM 2015 N LYS A 130 0.319 6.057 -16.097 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.115 5.687 -16.334 1.00 0.01 C ATOM 2017 C LYS A 130 -1.299 4.220 -15.972 1.00 0.01 C ATOM 2018 O LYS A 130 -0.967 3.322 -16.716 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.477 5.896 -17.810 1.00 0.55 C ATOM 2020 CG LYS A 130 -0.910 7.226 -18.299 1.00 0.80 C ATOM 2021 CD LYS A 130 -1.374 7.478 -19.734 1.00 0.29 C ATOM 2022 CE LYS A 130 -1.057 8.920 -20.127 1.00 0.33 C ATOM 2023 NZ LYS A 130 -2.017 9.841 -19.455 1.00 1.41 N ATOM 0 H LYS A 130 0.993 5.604 -16.714 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.763 6.315 -15.722 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.079 5.078 -18.411 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -2.560 5.885 -17.933 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -1.242 8.036 -17.650 1.00 0.80 H new ATOM 0 HG3 LYS A 130 0.179 7.208 -18.255 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -0.877 6.787 -20.415 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.445 7.294 -19.819 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -0.036 9.170 -19.840 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -1.122 9.036 -21.209 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -2.583 10.337 -20.173 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -2.647 9.293 -18.835 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -1.492 10.536 -18.887 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.834 3.990 -14.809 1.00 0.01 N ATOM 2038 CA VAL A 131 -2.069 2.608 -14.311 1.00 0.01 C ATOM 2039 C VAL A 131 -3.573 2.329 -14.330 1.00 0.01 C ATOM 2040 O VAL A 131 -4.339 3.046 -13.718 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.505 2.506 -12.886 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -1.830 3.780 -12.106 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -2.105 1.301 -12.162 1.00 0.01 C ATOM 0 H VAL A 131 -2.127 4.724 -14.164 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.572 1.870 -14.941 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.424 2.382 -12.948 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.427 3.701 -11.096 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.384 4.638 -12.609 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -2.911 3.910 -12.056 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.696 1.242 -11.153 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -3.188 1.411 -12.108 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -1.860 0.390 -12.707 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.175 -2.092 -7.672 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.728 -1.688 -7.808 1.00 0.01 C ATOM 2107 C TRP A 136 -0.256 -0.975 -6.536 1.00 0.01 C ATOM 2108 O TRP A 136 -0.925 -0.099 -6.019 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.552 -0.740 -8.998 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.592 -1.500 -10.282 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.633 -1.501 -11.137 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.429 -2.354 -10.875 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.317 -2.289 -12.229 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.057 -2.841 -12.112 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.716 -2.748 -10.468 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.711 -3.689 -12.916 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.488 -3.604 -11.274 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.985 -4.071 -12.495 1.00 0.01 C ATOM 0 HA TRP A 136 -0.136 -2.589 -7.966 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.340 0.013 -8.990 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.397 -0.210 -8.911 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.564 -0.972 -10.993 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.938 -2.443 -13.023 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.115 -2.391 -9.530 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.320 -4.046 -13.857 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.474 -3.903 -10.950 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.583 -4.727 -13.110 1.00 0.01 H new ATOM 2129 N ILE A 137 0.907 -1.337 -6.041 1.00 0.01 N ATOM 2130 CA ILE A 137 1.464 -0.678 -4.815 1.00 0.00 C ATOM 2131 C ILE A 137 2.805 -0.038 -5.182 1.00 0.01 C ATOM 2132 O ILE A 137 3.623 -0.635 -5.849 1.00 0.01 O ATOM 2133 CB ILE A 137 1.712 -1.726 -3.722 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.490 -2.631 -3.559 1.00 1.32 C ATOM 2135 CG2 ILE A 137 1.989 -1.020 -2.393 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.867 -3.820 -2.672 1.00 1.69 C ATOM 0 H ILE A 137 1.498 -2.067 -6.438 1.00 0.01 H new ATOM 0 HA ILE A 137 0.758 0.068 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 137 2.569 -2.334 -4.011 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.334 -2.074 -3.113 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.148 -2.981 -4.533 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.165 -1.764 -1.616 1.00 1.37 H new ATOM 0 HG22 ILE A 137 2.869 -0.386 -2.495 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.130 -0.407 -2.121 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.002 -4.472 -2.550 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.679 -4.379 -3.138 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.189 -3.458 -1.696 1.00 1.69 H new ATOM 2148 N PHE A 138 3.040 1.165 -4.726 1.00 0.01 N ATOM 2149 CA PHE A 138 4.334 1.868 -5.012 1.00 0.01 C ATOM 2150 C PHE A 138 5.108 1.946 -3.688 1.00 0.01 C ATOM 2151 O PHE A 138 4.525 2.165 -2.647 1.00 0.00 O ATOM 2152 CB PHE A 138 4.037 3.293 -5.529 1.00 1.11 C ATOM 2153 CG PHE A 138 3.935 3.337 -7.047 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.481 2.231 -7.783 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.296 4.509 -7.719 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.396 2.303 -9.177 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.211 4.579 -9.114 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.761 3.476 -9.843 1.00 2.49 C ATOM 0 H PHE A 138 2.383 1.701 -4.159 1.00 0.01 H new ATOM 0 HA PHE A 138 4.913 1.337 -5.767 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.105 3.651 -5.092 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.824 3.970 -5.198 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.197 1.323 -7.272 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.642 5.365 -7.158 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.047 1.450 -9.740 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.493 5.486 -9.627 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.695 3.530 -10.920 1.00 2.49 H new ATOM 2168 N TYR A 139 6.414 1.773 -3.715 1.00 0.01 N ATOM 2169 CA TYR A 139 7.223 1.845 -2.451 1.00 0.01 C ATOM 2170 C TYR A 139 8.306 2.919 -2.586 1.00 0.01 C ATOM 2171 O TYR A 139 8.857 3.134 -3.652 1.00 0.01 O ATOM 2172 CB TYR A 139 7.877 0.488 -2.189 1.00 0.01 C ATOM 2173 CG TYR A 139 6.833 -0.600 -2.291 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.088 -0.962 -1.164 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.612 -1.247 -3.511 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.121 -1.970 -1.256 1.00 0.02 C ATOM 2177 CE2 TYR A 139 5.646 -2.255 -3.605 1.00 0.01 C ATOM 2178 CZ TYR A 139 4.900 -2.617 -2.478 1.00 0.02 C ATOM 2179 OH TYR A 139 3.948 -3.612 -2.570 1.00 0.00 O ATOM 0 H TYR A 139 6.954 1.585 -4.560 1.00 0.01 H new ATOM 0 HA TYR A 139 6.568 2.102 -1.619 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.675 0.311 -2.911 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.334 0.477 -1.200 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.259 -0.463 -0.221 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.187 -0.968 -4.381 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.546 -2.248 -0.385 1.00 0.02 H new ATOM 0 HE2 TYR A 139 5.476 -2.754 -4.548 1.00 0.01 H new ATOM 0 HH TYR A 139 3.490 -3.707 -1.709 1.00 0.00 H new ATOM 2189 N GLU A 140 8.577 3.632 -1.521 1.00 0.01 N ATOM 2190 CA GLU A 140 9.567 4.749 -1.575 1.00 0.02 C ATOM 2191 C GLU A 140 11.014 4.243 -1.622 1.00 0.01 C ATOM 2192 O GLU A 140 11.866 4.900 -2.191 1.00 0.01 O ATOM 2193 CB GLU A 140 9.377 5.594 -0.313 1.00 0.01 C ATOM 2194 CG GLU A 140 10.331 6.786 -0.349 1.00 0.02 C ATOM 2195 CD GLU A 140 9.913 7.807 0.709 1.00 0.02 C ATOM 2196 OE1 GLU A 140 9.545 7.390 1.794 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.971 8.991 0.417 1.00 0.02 O ATOM 0 H GLU A 140 8.149 3.485 -0.607 1.00 0.01 H new ATOM 0 HA GLU A 140 9.396 5.325 -2.484 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.346 5.942 -0.247 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.567 4.990 0.574 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.352 6.453 -0.165 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.319 7.245 -1.337 1.00 0.02 H new ATOM 2204 N LEU A 141 11.325 3.103 -1.038 1.00 0.01 N ATOM 2205 CA LEU A 141 12.743 2.601 -1.066 1.00 0.02 C ATOM 2206 C LEU A 141 12.780 1.274 -1.850 1.00 0.01 C ATOM 2207 O LEU A 141 11.782 0.580 -1.935 1.00 0.01 O ATOM 2208 CB LEU A 141 13.211 2.372 0.389 1.00 0.57 C ATOM 2209 CG LEU A 141 13.743 3.688 0.994 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.674 3.620 2.523 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.202 3.921 0.575 1.00 1.24 C ATOM 0 H LEU A 141 10.663 2.503 -0.547 1.00 0.01 H new ATOM 0 HA LEU A 141 13.401 3.323 -1.549 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.383 1.996 0.990 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.992 1.612 0.412 1.00 0.57 H new ATOM 0 HG LEU A 141 13.126 4.509 0.627 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.051 4.551 2.946 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.640 3.472 2.834 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.282 2.788 2.878 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.561 4.853 1.011 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.818 3.094 0.928 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.263 3.981 -0.512 1.00 1.24 H new ATOM 2223 N PRO A 142 13.914 0.918 -2.429 1.00 0.01 N ATOM 2224 CA PRO A 142 14.013 -0.345 -3.216 1.00 0.01 C ATOM 2225 C PRO A 142 13.590 -1.584 -2.418 1.00 0.01 C ATOM 2226 O PRO A 142 13.462 -1.567 -1.211 1.00 0.01 O ATOM 2227 CB PRO A 142 15.513 -0.400 -3.589 1.00 0.01 C ATOM 2228 CG PRO A 142 16.231 0.770 -2.891 1.00 0.02 C ATOM 2229 CD PRO A 142 15.164 1.733 -2.349 1.00 0.01 C ATOM 0 HA PRO A 142 13.344 -0.348 -4.076 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.946 -1.351 -3.278 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.638 -0.331 -4.670 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.858 0.401 -2.079 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.888 1.286 -3.592 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.380 2.043 -1.327 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.095 2.640 -2.949 1.00 0.01 H new ATOM 2237 N ASN A 143 13.407 -2.660 -3.128 1.00 0.01 N ATOM 2238 CA ASN A 143 13.024 -3.952 -2.499 1.00 0.01 C ATOM 2239 C ASN A 143 11.710 -3.825 -1.727 1.00 0.01 C ATOM 2240 O ASN A 143 11.468 -4.524 -0.765 1.00 0.01 O ATOM 2241 CB ASN A 143 14.132 -4.391 -1.539 1.00 0.23 C ATOM 2242 CG ASN A 143 15.488 -4.270 -2.236 1.00 0.11 C ATOM 2243 OD1 ASN A 143 16.294 -3.431 -1.883 1.00 0.75 O ATOM 2244 ND2 ASN A 143 15.774 -5.072 -3.222 1.00 0.56 N ATOM 0 H ASN A 143 13.509 -2.698 -4.142 1.00 0.01 H new ATOM 0 HA ASN A 143 12.888 -4.692 -3.288 1.00 0.01 H new ATOM 0 HB2 ASN A 143 14.116 -3.773 -0.641 1.00 0.23 H new ATOM 0 HB3 ASN A 143 13.965 -5.420 -1.220 1.00 0.23 H new ATOM 0 HD21 ASN A 143 16.673 -4.996 -3.697 1.00 0.56 H new ATOM 0 HD22 ASN A 143 15.099 -5.776 -3.519 1.00 0.56 H new ATOM 2251 N TYR A 144 10.843 -2.958 -2.180 1.00 0.01 N ATOM 2252 CA TYR A 144 9.513 -2.790 -1.524 1.00 0.02 C ATOM 2253 C TYR A 144 9.671 -2.427 -0.043 1.00 0.01 C ATOM 2254 O TYR A 144 9.076 -3.043 0.818 1.00 0.01 O ATOM 2255 CB TYR A 144 8.719 -4.099 -1.666 1.00 0.01 C ATOM 2256 CG TYR A 144 9.104 -4.771 -2.968 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.897 -4.104 -4.181 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.682 -6.048 -2.962 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.262 -4.712 -5.388 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.050 -6.656 -4.167 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.841 -5.989 -5.381 1.00 0.01 C ATOM 2262 OH TYR A 144 10.204 -6.589 -6.569 1.00 0.01 O ATOM 0 H TYR A 144 11.002 -2.353 -2.985 1.00 0.01 H new ATOM 0 HA TYR A 144 8.977 -1.975 -2.011 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.929 -4.760 -0.825 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.649 -3.894 -1.651 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.455 -3.119 -4.186 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.843 -6.563 -2.026 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.098 -4.198 -6.324 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.495 -7.640 -4.161 1.00 0.01 H new ATOM 0 HH TYR A 144 10.591 -7.470 -6.385 1.00 0.01 H new ATOM 2272 N ARG A 145 10.463 -1.424 0.256 1.00 0.02 N ATOM 2273 CA ARG A 145 10.662 -1.005 1.685 1.00 0.01 C ATOM 2274 C ARG A 145 10.334 0.484 1.833 1.00 0.01 C ATOM 2275 O ARG A 145 10.225 1.203 0.859 1.00 0.01 O ATOM 2276 CB ARG A 145 12.128 -1.222 2.086 1.00 0.01 C ATOM 2277 CG ARG A 145 12.592 -2.627 1.679 1.00 0.02 C ATOM 2278 CD ARG A 145 11.866 -3.693 2.513 1.00 0.01 C ATOM 2279 NE ARG A 145 11.937 -3.337 3.961 1.00 0.01 N ATOM 2280 CZ ARG A 145 11.152 -3.926 4.819 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.306 -4.834 4.416 1.00 0.02 N ATOM 2282 NH2 ARG A 145 11.218 -3.612 6.084 1.00 0.01 N ATOM 0 H ARG A 145 10.983 -0.875 -0.429 1.00 0.02 H new ATOM 0 HA ARG A 145 10.008 -1.599 2.323 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.757 -0.472 1.608 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.240 -1.093 3.162 1.00 0.01 H new ATOM 0 HG2 ARG A 145 12.395 -2.789 0.619 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.669 -2.717 1.821 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.825 -3.768 2.198 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.320 -4.670 2.347 1.00 0.01 H new ATOM 0 HE ARG A 145 12.601 -2.631 4.280 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.258 -5.084 3.428 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.693 -5.294 5.089 1.00 0.02 H new ATOM 0 HH21 ARG A 145 11.883 -2.906 6.400 1.00 0.01 H new ATOM 0 HH22 ARG A 145 10.604 -4.072 6.756 1.00 0.01 H new ATOM 2296 N GLY A 146 10.156 0.952 3.046 1.00 0.01 N ATOM 2297 CA GLY A 146 9.830 2.395 3.264 1.00 0.02 C ATOM 2298 C GLY A 146 8.316 2.612 3.212 1.00 0.01 C ATOM 2299 O GLY A 146 7.538 1.680 3.271 1.00 0.02 O ATOM 0 H GLY A 146 10.223 0.393 3.897 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.218 2.720 4.229 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.318 3.004 2.503 1.00 0.02 H new ATOM 2303 N ARG A 147 7.897 3.843 3.103 1.00 0.01 N ATOM 2304 CA ARG A 147 6.440 4.142 3.047 1.00 0.01 C ATOM 2305 C ARG A 147 5.881 3.644 1.718 1.00 0.01 C ATOM 2306 O ARG A 147 6.533 3.685 0.693 1.00 0.01 O ATOM 2307 CB ARG A 147 6.226 5.652 3.158 1.00 0.01 C ATOM 2308 CG ARG A 147 4.741 5.938 3.400 1.00 0.01 C ATOM 2309 CD ARG A 147 4.477 7.439 3.274 1.00 0.01 C ATOM 2310 NE ARG A 147 3.007 7.684 3.249 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.542 8.888 3.441 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.364 9.877 3.666 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.255 9.102 3.412 1.00 0.02 N ATOM 0 H ARG A 147 8.506 4.659 3.050 1.00 0.01 H new ATOM 0 HA ARG A 147 5.929 3.644 3.871 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.824 6.056 3.975 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.559 6.146 2.245 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.133 5.391 2.679 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.451 5.590 4.391 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.931 7.970 4.110 1.00 0.01 H new ATOM 0 HD3 ARG A 147 4.936 7.825 2.364 1.00 0.01 H new ATOM 0 HE ARG A 147 2.364 6.910 3.082 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.370 9.709 3.692 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.001 10.818 3.816 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.613 8.328 3.239 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.891 10.043 3.562 1.00 0.02 H new ATOM 2327 N GLN A 148 4.677 3.130 1.748 1.00 0.01 N ATOM 2328 CA GLN A 148 4.044 2.570 0.517 1.00 0.01 C ATOM 2329 C GLN A 148 2.844 3.433 0.120 1.00 0.01 C ATOM 2330 O GLN A 148 2.181 4.010 0.957 1.00 0.01 O ATOM 2331 CB GLN A 148 3.557 1.142 0.847 1.00 0.00 C ATOM 2332 CG GLN A 148 4.468 0.508 1.903 1.00 0.02 C ATOM 2333 CD GLN A 148 4.210 -0.999 1.964 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.238 -1.483 1.417 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.042 -1.767 2.617 1.00 0.01 N ATOM 0 H GLN A 148 4.098 3.074 2.586 1.00 0.01 H new ATOM 0 HA GLN A 148 4.758 2.555 -0.306 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.531 1.174 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.554 0.532 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.513 0.699 1.659 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.281 0.959 2.878 1.00 0.02 H new ATOM 0 HE21 GLN A 148 5.858 -1.361 3.076 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.876 -2.772 2.668 1.00 0.01 H new ATOM 2344 N TYR A 149 2.553 3.502 -1.152 1.00 0.01 N ATOM 2345 CA TYR A 149 1.382 4.294 -1.639 1.00 0.01 C ATOM 2346 C TYR A 149 0.476 3.354 -2.430 1.00 0.01 C ATOM 2347 O TYR A 149 0.945 2.597 -3.256 1.00 0.01 O ATOM 2348 CB TYR A 149 1.860 5.443 -2.533 1.00 0.01 C ATOM 2349 CG TYR A 149 2.888 6.264 -1.790 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.487 7.094 -0.735 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.238 6.198 -2.153 1.00 0.01 C ATOM 2352 CE1 TYR A 149 3.437 7.857 -0.045 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.187 6.960 -1.463 1.00 0.01 C ATOM 2354 CZ TYR A 149 4.786 7.790 -0.409 1.00 0.01 C ATOM 2355 OH TYR A 149 5.723 8.541 0.269 1.00 0.01 O ATOM 0 H TYR A 149 3.085 3.036 -1.887 1.00 0.01 H new ATOM 0 HA TYR A 149 0.838 4.723 -0.798 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.290 5.047 -3.453 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.016 6.070 -2.820 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.445 7.145 -0.454 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.547 5.558 -2.966 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.128 8.497 0.768 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.229 6.908 -1.743 1.00 0.01 H new ATOM 0 HH TYR A 149 6.611 8.376 -0.110 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.809 3.361 -2.186 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.708 2.428 -2.929 1.00 0.01 C ATOM 2367 C LEU A 150 -2.308 3.153 -4.129 1.00 0.01 C ATOM 2368 O LEU A 150 -2.994 4.147 -3.989 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.823 1.976 -1.979 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.703 0.907 -2.648 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.943 -0.425 -2.768 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.962 0.706 -1.800 1.00 0.01 C ATOM 0 H LEU A 150 -1.272 3.968 -1.509 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.150 1.562 -3.284 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.388 1.576 -1.063 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.435 2.832 -1.694 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.972 1.239 -3.651 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.583 -1.168 -3.244 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.046 -0.279 -3.371 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.660 -0.773 -1.775 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.596 -0.050 -2.263 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.679 0.379 -0.800 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.509 1.646 -1.733 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.078 2.647 -5.310 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.658 3.285 -6.525 1.00 0.01 C ATOM 2386 C LEU A 151 -3.984 2.590 -6.830 1.00 0.01 C ATOM 2387 O LEU A 151 -4.247 1.508 -6.343 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.699 3.113 -7.707 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.285 3.528 -7.293 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.628 3.504 -8.521 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -0.310 4.943 -6.705 1.00 0.01 C ATOM 0 H LEU A 151 -1.512 1.817 -5.486 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.816 4.351 -6.358 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.700 2.075 -8.040 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.033 3.718 -8.549 1.00 0.01 H new ATOM 0 HG LEU A 151 0.090 2.834 -6.541 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.636 3.799 -8.231 1.00 0.01 H new ATOM 0 HD12 LEU A 151 0.650 2.497 -8.938 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.248 4.199 -9.270 1.00 0.01 H new ATOM 0 HD21 LEU A 151 0.699 5.233 -6.412 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -0.686 5.641 -7.453 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.961 4.962 -5.831 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.824 3.201 -7.624 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.144 2.580 -7.959 1.00 0.01 C ATOM 2405 C ASP A 152 -6.112 2.073 -9.401 1.00 0.00 C ATOM 2406 O ASP A 152 -5.342 1.192 -9.741 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.244 3.632 -7.808 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.337 4.064 -6.344 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.296 4.208 -5.722 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -8.446 4.241 -5.867 1.00 2.27 O ATOM 0 H ASP A 152 -4.653 4.108 -8.058 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.343 1.745 -7.287 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.028 4.494 -8.440 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.199 3.225 -8.140 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.941 2.618 -10.253 1.00 0.01 N ATOM 2416 CA LYS A 153 -6.965 2.171 -11.677 1.00 0.01 C ATOM 2417 C LYS A 153 -7.170 3.388 -12.577 1.00 0.01 C ATOM 2418 O LYS A 153 -7.681 3.282 -13.674 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.113 1.180 -11.884 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.434 1.835 -11.473 1.00 0.71 C ATOM 2421 CD LYS A 153 -10.548 0.788 -11.487 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.897 1.475 -11.264 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.997 0.502 -11.521 1.00 1.84 N ATOM 0 H LYS A 153 -7.605 3.357 -10.022 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.022 1.684 -11.926 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.157 0.872 -12.929 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.942 0.280 -11.293 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.342 2.271 -10.478 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.677 2.649 -12.156 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -10.551 0.258 -12.439 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -10.373 0.045 -10.709 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -11.961 1.852 -10.243 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -11.994 2.334 -11.928 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.915 0.968 -11.370 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -12.938 0.163 -12.502 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.906 -0.304 -10.870 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.769 4.547 -12.116 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.926 5.796 -12.926 1.00 0.01 C ATOM 2439 C LYS A 154 -5.544 6.271 -13.374 1.00 0.01 C ATOM 2440 O LYS A 154 -4.574 5.548 -13.278 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.577 6.881 -12.064 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.831 6.317 -11.395 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.500 7.414 -10.563 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.538 6.788 -9.630 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.254 5.695 -10.344 1.00 2.28 N ATOM 0 H LYS A 154 -6.335 4.683 -11.203 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.552 5.598 -13.796 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.874 7.230 -11.308 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.836 7.742 -12.679 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.523 5.945 -12.150 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.568 5.472 -10.759 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.751 7.952 -9.982 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.978 8.142 -11.219 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.050 6.395 -8.738 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -11.248 7.546 -9.298 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -12.148 5.489 -9.855 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -11.454 5.991 -11.321 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -10.661 4.841 -10.356 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.450 7.481 -13.864 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.130 8.013 -14.325 1.00 0.01 C ATOM 2461 C GLU A 155 -3.625 9.055 -13.330 1.00 0.01 C ATOM 2462 O GLU A 155 -4.346 9.949 -12.937 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.299 8.666 -15.697 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.019 7.694 -16.634 1.00 0.01 C ATOM 2465 CD GLU A 155 -4.970 8.235 -18.063 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -5.114 9.435 -18.226 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -4.790 7.439 -18.970 1.00 0.01 O ATOM 0 H GLU A 155 -6.233 8.126 -13.965 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.412 7.196 -14.393 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.869 9.590 -15.605 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.325 8.932 -16.108 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -4.548 6.712 -16.589 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.054 7.566 -16.317 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.384 8.952 -12.924 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.825 9.945 -11.957 1.00 0.01 C ATOM 2476 C TYR A 156 -0.995 10.972 -12.726 1.00 0.01 C ATOM 2477 O TYR A 156 0.040 10.653 -13.284 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.943 9.217 -10.938 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.799 8.296 -10.103 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.111 7.014 -10.570 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.280 8.724 -8.859 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.905 6.160 -9.794 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.073 7.870 -8.084 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.384 6.588 -8.551 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.164 5.745 -7.784 1.00 0.01 O ATOM 0 H TYR A 156 -1.735 8.224 -13.220 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.633 10.452 -11.431 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.169 8.646 -11.452 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.435 9.939 -10.299 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.740 6.683 -11.529 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.039 9.713 -8.498 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.147 5.171 -10.155 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.445 8.200 -7.125 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.412 6.197 -6.950 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.464 12.193 -12.803 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.734 13.230 -13.584 1.00 0.01 C ATOM 2497 C ARG A 157 0.308 13.941 -12.724 1.00 0.00 C ATOM 2498 O ARG A 157 1.306 14.408 -13.236 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.737 14.260 -14.108 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.646 14.716 -12.965 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.431 15.956 -13.399 1.00 0.00 C ATOM 2502 NE ARG A 157 -2.485 17.077 -13.657 1.00 0.01 N ATOM 2503 CZ ARG A 157 -2.883 18.124 -14.323 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -4.109 18.191 -14.763 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -2.057 19.108 -14.548 1.00 0.01 N ATOM 0 H ARG A 157 -2.323 12.514 -12.356 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.220 12.739 -14.411 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.209 15.115 -14.530 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.334 13.826 -14.910 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.333 13.915 -12.691 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -2.050 14.941 -12.080 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.008 15.738 -14.298 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.143 16.238 -12.624 1.00 0.00 H new ATOM 0 HE ARG A 157 -1.526 17.025 -13.313 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.757 17.424 -14.586 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -4.420 19.011 -15.284 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -1.099 19.058 -14.203 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -2.369 19.927 -15.069 1.00 0.01 H new ATOM 2519 N LYS A 158 0.114 14.028 -11.427 1.00 0.01 N ATOM 2520 CA LYS A 158 1.126 14.699 -10.548 1.00 0.01 C ATOM 2521 C LYS A 158 1.541 13.694 -9.462 1.00 0.01 C ATOM 2522 O LYS A 158 0.774 12.819 -9.119 1.00 0.01 O ATOM 2523 CB LYS A 158 0.475 15.931 -9.898 1.00 0.58 C ATOM 2524 CG LYS A 158 0.537 17.123 -10.862 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.057 18.371 -10.192 1.00 1.44 C ATOM 2526 CE LYS A 158 -1.588 18.348 -10.280 1.00 2.13 C ATOM 2527 NZ LYS A 158 -2.130 19.648 -9.793 1.00 2.54 N ATOM 0 H LYS A 158 -0.704 13.662 -10.939 1.00 0.01 H new ATOM 0 HA LYS A 158 1.998 15.015 -11.120 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.562 15.713 -9.642 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.988 16.177 -8.968 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.570 17.313 -11.153 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -0.014 16.893 -11.774 1.00 0.97 H new ATOM 0 HD2 LYS A 158 0.253 18.413 -9.148 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.328 19.269 -10.675 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -1.902 18.173 -11.309 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -1.986 17.528 -9.682 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -3.168 19.635 -9.852 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -1.841 19.796 -8.805 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -1.760 20.421 -10.382 1.00 2.54 H new ATOM 2541 N PRO A 159 2.719 13.805 -8.900 1.00 0.01 N ATOM 2542 CA PRO A 159 3.132 12.849 -7.832 1.00 0.02 C ATOM 2543 C PRO A 159 2.210 12.962 -6.609 1.00 0.01 C ATOM 2544 O PRO A 159 1.873 11.976 -5.986 1.00 0.01 O ATOM 2545 CB PRO A 159 4.572 13.306 -7.527 1.00 0.41 C ATOM 2546 CG PRO A 159 4.778 14.685 -8.183 1.00 0.70 C ATOM 2547 CD PRO A 159 3.705 14.859 -9.266 1.00 0.28 C ATOM 0 HA PRO A 159 3.073 11.800 -8.121 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.733 13.367 -6.451 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.292 12.586 -7.917 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.700 15.477 -7.438 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.775 14.755 -8.619 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.263 15.855 -9.246 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.109 14.710 -10.267 1.00 0.28 H new ATOM 2555 N VAL A 160 1.814 14.141 -6.249 1.00 0.01 N ATOM 2556 CA VAL A 160 0.928 14.288 -5.060 1.00 0.02 C ATOM 2557 C VAL A 160 -0.384 13.531 -5.303 1.00 0.02 C ATOM 2558 O VAL A 160 -1.119 13.243 -4.381 1.00 0.02 O ATOM 2559 CB VAL A 160 0.630 15.773 -4.833 1.00 0.14 C ATOM 2560 CG1 VAL A 160 0.018 15.963 -3.445 1.00 0.86 C ATOM 2561 CG2 VAL A 160 1.932 16.571 -4.928 1.00 0.74 C ATOM 0 H VAL A 160 2.061 15.011 -6.721 1.00 0.01 H new ATOM 0 HA VAL A 160 1.423 13.877 -4.180 1.00 0.02 H new ATOM 0 HB VAL A 160 -0.071 16.125 -5.590 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.194 17.020 -3.283 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.908 15.392 -3.374 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.719 15.613 -2.687 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.723 17.629 -4.767 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.631 16.219 -4.169 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.371 16.434 -5.916 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.694 13.224 -6.530 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.976 12.512 -6.804 1.00 0.01 C ATOM 2573 C ASP A 161 -1.988 11.088 -6.222 1.00 0.01 C ATOM 2574 O ASP A 161 -3.047 10.524 -6.032 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.204 12.430 -8.314 1.00 0.00 C ATOM 2576 CG ASP A 161 -2.334 13.840 -8.891 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -2.101 14.784 -8.154 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -2.663 13.952 -10.061 1.00 0.00 O ATOM 0 H ASP A 161 -0.123 13.432 -7.349 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.772 13.080 -6.322 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.374 11.907 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -3.106 11.855 -8.525 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.844 10.506 -5.903 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.863 9.121 -5.297 1.00 0.01 C ATOM 2585 C TRP A 162 -0.664 9.213 -3.778 1.00 0.01 C ATOM 2586 O TRP A 162 -0.421 8.225 -3.113 1.00 0.01 O ATOM 2587 CB TRP A 162 0.179 8.178 -5.929 1.00 0.01 C ATOM 2588 CG TRP A 162 1.503 8.833 -6.135 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.190 9.531 -5.207 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.333 8.811 -7.332 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.384 9.959 -5.766 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.518 9.536 -7.073 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.169 8.242 -8.609 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.508 9.692 -8.045 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.165 8.397 -9.589 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.331 9.121 -9.307 1.00 0.01 C ATOM 0 H TRP A 162 0.081 10.917 -6.032 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.840 8.687 -5.510 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.307 7.305 -5.290 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.197 7.819 -6.887 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.864 9.724 -4.196 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.079 10.518 -5.272 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.273 7.683 -8.837 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.405 10.251 -7.822 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.031 7.955 -10.565 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.092 9.237 -10.065 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.828 10.385 -3.216 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.721 10.538 -1.730 1.00 0.01 C ATOM 2609 C GLY A 163 0.723 10.744 -1.252 1.00 0.01 C ATOM 2610 O GLY A 163 0.996 10.675 -0.070 1.00 0.01 O ATOM 0 H GLY A 163 -1.032 11.246 -3.723 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.328 11.386 -1.413 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.135 9.652 -1.248 1.00 0.01 H new ATOM 2614 N ALA A 164 1.649 10.988 -2.140 1.00 0.01 N ATOM 2615 CA ALA A 164 3.075 11.184 -1.708 1.00 0.02 C ATOM 2616 C ALA A 164 3.420 12.672 -1.684 1.00 0.01 C ATOM 2617 O ALA A 164 3.030 13.433 -2.547 1.00 0.02 O ATOM 2618 CB ALA A 164 4.000 10.509 -2.715 1.00 0.01 C ATOM 0 H ALA A 164 1.486 11.061 -3.144 1.00 0.01 H new ATOM 0 HA ALA A 164 3.199 10.756 -0.713 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.036 10.648 -2.407 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.774 9.444 -2.759 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.852 10.953 -3.700 1.00 0.01 H new ATOM 2624 N ALA A 165 4.166 13.082 -0.697 1.00 0.02 N ATOM 2625 CA ALA A 165 4.566 14.513 -0.591 1.00 0.01 C ATOM 2626 C ALA A 165 5.813 14.766 -1.446 1.00 0.02 C ATOM 2627 O ALA A 165 6.241 15.892 -1.607 1.00 0.01 O ATOM 2628 CB ALA A 165 4.878 14.858 0.869 1.00 0.59 C ATOM 0 H ALA A 165 4.519 12.481 0.048 1.00 0.02 H new ATOM 0 HA ALA A 165 3.746 15.138 -0.946 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.170 15.906 0.941 1.00 0.59 H new ATOM 0 HB2 ALA A 165 3.993 14.685 1.481 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.694 14.229 1.225 1.00 0.59 H new ATOM 2634 N SER A 166 6.401 13.730 -1.998 1.00 0.01 N ATOM 2635 CA SER A 166 7.625 13.908 -2.846 1.00 0.01 C ATOM 2636 C SER A 166 7.547 12.960 -4.058 1.00 0.02 C ATOM 2637 O SER A 166 6.956 11.902 -3.962 1.00 0.01 O ATOM 2638 CB SER A 166 8.861 13.561 -2.015 1.00 0.72 C ATOM 2639 OG SER A 166 9.025 12.150 -1.987 1.00 0.87 O ATOM 0 H SER A 166 6.085 12.765 -1.897 1.00 0.01 H new ATOM 0 HA SER A 166 7.688 14.940 -3.192 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.745 14.033 -2.442 1.00 0.72 H new ATOM 0 HB3 SER A 166 8.752 13.947 -1.001 1.00 0.72 H new ATOM 0 HG SER A 166 9.817 11.923 -1.457 1.00 0.87 H new ATOM 2645 N PRO A 167 8.139 13.302 -5.190 1.00 0.02 N ATOM 2646 CA PRO A 167 8.096 12.395 -6.377 1.00 0.01 C ATOM 2647 C PRO A 167 9.038 11.196 -6.214 1.00 0.01 C ATOM 2648 O PRO A 167 9.371 10.520 -7.174 1.00 0.01 O ATOM 2649 CB PRO A 167 8.592 13.320 -7.499 1.00 0.38 C ATOM 2650 CG PRO A 167 9.384 14.454 -6.834 1.00 0.35 C ATOM 2651 CD PRO A 167 8.879 14.588 -5.388 1.00 0.22 C ATOM 0 HA PRO A 167 7.112 11.960 -6.550 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.221 12.771 -8.200 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.752 13.719 -8.068 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.452 14.235 -6.848 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.243 15.389 -7.377 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.699 14.699 -4.679 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.230 15.455 -5.262 1.00 0.22 H new ATOM 2659 N ALA A 168 9.497 10.941 -5.018 1.00 0.01 N ATOM 2660 CA ALA A 168 10.442 9.809 -4.826 1.00 0.01 C ATOM 2661 C ALA A 168 9.685 8.486 -4.721 1.00 0.01 C ATOM 2662 O ALA A 168 8.886 8.264 -3.835 1.00 0.02 O ATOM 2663 CB ALA A 168 11.248 10.032 -3.545 1.00 0.18 C ATOM 0 H ALA A 168 9.260 11.463 -4.175 1.00 0.01 H new ATOM 0 HA ALA A 168 11.110 9.764 -5.686 1.00 0.01 H new ATOM 0 HB1 ALA A 168 11.941 9.203 -3.402 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.808 10.964 -3.625 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.570 10.088 -2.694 1.00 0.18 H new ATOM 2669 N ILE A 169 9.986 7.612 -5.635 1.00 0.01 N ATOM 2670 CA ILE A 169 9.369 6.256 -5.685 1.00 0.01 C ATOM 2671 C ILE A 169 10.439 5.339 -6.287 1.00 0.01 C ATOM 2672 O ILE A 169 10.963 5.617 -7.348 1.00 0.01 O ATOM 2673 CB ILE A 169 8.101 6.326 -6.575 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.847 6.650 -5.711 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.883 4.999 -7.318 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.882 7.556 -6.491 1.00 3.99 C ATOM 0 H ILE A 169 10.661 7.787 -6.380 1.00 0.01 H new ATOM 0 HA ILE A 169 9.061 5.883 -4.708 1.00 0.01 H new ATOM 0 HB ILE A 169 8.248 7.121 -7.307 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.342 5.726 -5.430 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.151 7.141 -4.787 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.988 5.071 -7.936 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.746 4.790 -7.951 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.760 4.193 -6.595 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.010 7.774 -5.875 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.386 8.487 -6.750 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.565 7.050 -7.403 1.00 3.99 H new ATOM 2688 N GLN A 170 10.813 4.282 -5.598 1.00 0.01 N ATOM 2689 CA GLN A 170 11.902 3.389 -6.111 1.00 0.01 C ATOM 2690 C GLN A 170 11.410 1.986 -6.482 1.00 0.02 C ATOM 2691 O GLN A 170 12.141 1.251 -7.118 1.00 0.01 O ATOM 2692 CB GLN A 170 12.977 3.266 -5.033 1.00 2.62 C ATOM 2693 CG GLN A 170 13.485 4.663 -4.660 1.00 3.39 C ATOM 2694 CD GLN A 170 14.211 5.280 -5.856 1.00 4.36 C ATOM 2695 OE1 GLN A 170 15.240 4.790 -6.275 1.00 4.83 O ATOM 2696 NE2 GLN A 170 13.715 6.343 -6.428 1.00 5.17 N ATOM 0 H GLN A 170 10.410 4.001 -4.704 1.00 0.01 H new ATOM 0 HA GLN A 170 12.291 3.842 -7.023 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.570 2.768 -4.153 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.802 2.651 -5.394 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.650 5.297 -4.362 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.159 4.600 -3.805 1.00 3.39 H new ATOM 0 HE21 GLN A 170 12.851 6.755 -6.076 1.00 5.17 H new ATOM 0 HE22 GLN A 170 14.192 6.762 -7.227 1.00 5.17 H new ATOM 2705 N SER A 171 10.223 1.555 -6.127 1.00 0.01 N ATOM 2706 CA SER A 171 9.831 0.164 -6.525 1.00 0.01 C ATOM 2707 C SER A 171 8.307 0.037 -6.545 1.00 0.01 C ATOM 2708 O SER A 171 7.597 0.792 -5.911 1.00 0.01 O ATOM 2709 CB SER A 171 10.417 -0.832 -5.525 1.00 0.01 C ATOM 2710 OG SER A 171 10.309 -2.145 -6.052 1.00 0.02 O ATOM 0 H SER A 171 9.530 2.083 -5.598 1.00 0.01 H new ATOM 0 HA SER A 171 10.217 -0.048 -7.522 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.462 -0.593 -5.326 1.00 0.01 H new ATOM 0 HB3 SER A 171 9.888 -0.765 -4.575 1.00 0.01 H new ATOM 0 HG SER A 171 9.642 -2.649 -5.541 1.00 0.02 H new ATOM 2716 N PHE A 172 7.794 -0.937 -7.257 1.00 0.01 N ATOM 2717 CA PHE A 172 6.312 -1.129 -7.296 1.00 0.01 C ATOM 2718 C PHE A 172 5.977 -2.600 -7.571 1.00 0.01 C ATOM 2719 O PHE A 172 6.772 -3.337 -8.125 1.00 0.01 O ATOM 2720 CB PHE A 172 5.679 -0.218 -8.360 1.00 1.06 C ATOM 2721 CG PHE A 172 6.062 -0.650 -9.757 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.435 -1.755 -10.345 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.023 0.072 -10.474 1.00 1.29 C ATOM 2724 CE1 PHE A 172 5.771 -2.138 -11.649 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.356 -0.309 -11.780 1.00 2.02 C ATOM 2726 CZ PHE A 172 6.731 -1.416 -12.365 1.00 1.92 C ATOM 0 H PHE A 172 8.334 -1.603 -7.809 1.00 0.01 H new ATOM 0 HA PHE A 172 5.898 -0.856 -6.326 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.594 -0.236 -8.257 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.998 0.811 -8.196 1.00 1.06 H new ATOM 0 HD1 PHE A 172 4.692 -2.312 -9.793 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.508 0.923 -10.020 1.00 1.29 H new ATOM 0 HE1 PHE A 172 5.289 -2.991 -12.102 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.094 0.251 -12.335 1.00 2.02 H new ATOM 0 HZ PHE A 172 6.990 -1.713 -13.370 1.00 1.92 H new ATOM 2736 N ARG A 173 4.817 -3.043 -7.151 1.00 0.01 N ATOM 2737 CA ARG A 173 4.437 -4.478 -7.349 1.00 0.01 C ATOM 2738 C ARG A 173 2.937 -4.599 -7.627 1.00 0.01 C ATOM 2739 O ARG A 173 2.133 -3.818 -7.154 1.00 0.01 O ATOM 2740 CB ARG A 173 4.732 -5.262 -6.066 1.00 0.01 C ATOM 2741 CG ARG A 173 6.235 -5.413 -5.851 1.00 0.01 C ATOM 2742 CD ARG A 173 6.464 -6.365 -4.674 1.00 0.01 C ATOM 2743 NE ARG A 173 5.549 -5.993 -3.557 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.346 -6.826 -2.574 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.946 -7.984 -2.562 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.543 -6.500 -1.600 1.00 0.01 N ATOM 0 H ARG A 173 4.116 -2.472 -6.679 1.00 0.01 H new ATOM 0 HA ARG A 173 5.007 -4.871 -8.191 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.289 -4.749 -5.212 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.268 -6.247 -6.123 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.709 -5.803 -6.752 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.688 -4.443 -5.647 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.281 -7.394 -4.982 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.501 -6.311 -4.344 1.00 0.01 H new ATOM 0 HE ARG A 173 5.081 -5.086 -3.562 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.576 -8.240 -3.322 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.786 -8.634 -1.792 1.00 0.01 H new ATOM 0 HH21 ARG A 173 4.074 -5.594 -1.607 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.384 -7.151 -0.831 1.00 0.01 H new ATOM 2760 N ARG A 174 2.561 -5.606 -8.372 1.00 0.01 N ATOM 2761 CA ARG A 174 1.122 -5.833 -8.672 1.00 0.01 C ATOM 2762 C ARG A 174 0.522 -6.695 -7.561 1.00 0.01 C ATOM 2763 O ARG A 174 1.159 -7.594 -7.052 1.00 0.01 O ATOM 2764 CB ARG A 174 0.976 -6.566 -10.009 1.00 0.01 C ATOM 2765 CG ARG A 174 1.989 -7.712 -10.085 1.00 0.01 C ATOM 2766 CD ARG A 174 1.728 -8.543 -11.344 1.00 0.01 C ATOM 2767 NE ARG A 174 2.905 -9.415 -11.611 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.811 -10.399 -12.461 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.685 -10.624 -13.074 1.00 0.01 N ATOM 2770 NH2 ARG A 174 3.844 -11.157 -12.700 1.00 0.01 N ATOM 0 H ARG A 174 3.198 -6.285 -8.788 1.00 0.01 H new ATOM 0 HA ARG A 174 0.605 -4.875 -8.732 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.037 -6.956 -10.112 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.136 -5.872 -10.834 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.004 -7.314 -10.103 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.909 -8.341 -9.198 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.833 -9.151 -11.213 1.00 0.01 H new ATOM 0 HD3 ARG A 174 1.546 -7.887 -12.195 1.00 0.01 H new ATOM 0 HE ARG A 174 3.787 -9.242 -11.128 1.00 0.01 H new ATOM 0 HH11 ARG A 174 0.876 -10.030 -12.889 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.611 -11.394 -13.739 1.00 0.01 H new ATOM 0 HH21 ARG A 174 4.727 -10.981 -12.222 1.00 0.01 H new ATOM 0 HH22 ARG A 174 3.769 -11.927 -13.365 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.702 -6.435 -7.188 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.347 -7.257 -6.111 1.00 0.01 C ATOM 2786 C ILE A 175 -2.179 -8.368 -6.754 1.00 0.00 C ATOM 2787 O ILE A 175 -2.984 -8.120 -7.631 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.248 -6.375 -5.236 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.567 -5.022 -5.012 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.477 -7.055 -3.886 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.427 -4.164 -4.079 1.00 3.04 C ATOM 0 H ILE A 175 -1.285 -5.694 -7.577 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.571 -7.695 -5.483 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.206 -6.227 -5.735 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.577 -5.168 -4.579 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.426 -4.512 -5.965 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.117 -6.427 -3.266 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.958 -8.021 -4.042 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.520 -7.203 -3.386 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.942 -3.201 -3.920 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.407 -4.006 -4.530 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.545 -4.673 -3.122 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.993 -9.593 -6.330 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.770 -10.728 -6.918 1.00 0.00 C ATOM 2805 C VAL A 176 -3.240 -11.666 -5.804 1.00 0.01 C ATOM 2806 O VAL A 176 -2.577 -11.836 -4.798 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.879 -11.516 -7.881 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.615 -10.678 -9.135 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.551 -11.841 -7.195 1.00 1.89 C ATOM 0 H VAL A 176 -1.333 -9.857 -5.598 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.632 -10.328 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.379 -12.443 -8.163 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.980 -11.239 -9.821 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.561 -10.446 -9.624 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.115 -9.751 -8.854 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.085 -12.402 -7.880 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.051 -10.914 -6.913 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.739 -12.438 -6.303 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.381 -12.277 -5.976 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.900 -13.209 -4.935 1.00 0.01 C ATOM 2821 C GLU A 177 -4.133 -14.531 -5.008 1.00 0.01 C ATOM 2822 O GLU A 177 -4.636 -15.526 -5.491 1.00 0.01 O ATOM 2823 CB GLU A 177 -6.391 -13.467 -5.177 1.00 2.15 C ATOM 2824 CG GLU A 177 -6.976 -14.251 -3.999 1.00 3.19 C ATOM 2825 CD GLU A 177 -6.997 -13.364 -2.754 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -6.836 -12.165 -2.902 1.00 4.77 O ATOM 2827 OE2 GLU A 177 -7.173 -13.899 -1.672 1.00 4.89 O ATOM 0 H GLU A 177 -4.978 -12.170 -6.796 1.00 0.01 H new ATOM 0 HA GLU A 177 -4.765 -12.765 -3.949 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -6.919 -12.521 -5.295 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.528 -14.026 -6.103 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -7.986 -14.585 -4.237 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -6.380 -15.144 -3.812 1.00 3.19 H new