USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 479 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 139 HIS :FLIP no HD1:sc= 0.094 F(o=-3.4,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.51 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 145 GLN : amide:sc= -8.68! C(o=-8.7!,f=-9!) USER MOD Single : A 147 ASN : amide:sc= 0.453 K(o=0.45,f=-0.74) USER MOD Single : A 149 TYR OH : rot -101:sc= 0.0266 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.54! C(o=-8.5!,f=-8.7!) USER MOD Single : A 153 LYS NZ :NH3+ 158:sc= -0.0392 (180deg=-0.362) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0562 X(o=-0.056,f=-0.02) USER MOD Single : A 161 LYS NZ :NH3+ -118:sc= -0.0424 (180deg=-0.461) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 155:sc= -0.0136 (180deg=-0.303) USER MOD Single : A 164 LYS NZ :NH3+ -163:sc= -0.0427 (180deg=-0.411) USER MOD Single : A 165 SER OG : rot 22:sc= 0.0276 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc=-0.00201 X(o=-0.002,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 157:sc= -0.126 (180deg=-0.881) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.791 (180deg=-1.52!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00809 (180deg=-0.0794) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 197 ASN : amide:sc= -0.078 K(o=-0.078,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.309 -1.867 3.201 1.00 0.00 N ATOM 19 CA ALA A 134 16.460 -2.732 2.390 1.00 0.00 C ATOM 20 C ALA A 134 15.042 -2.176 2.321 1.00 0.00 C ATOM 21 O ALA A 134 14.731 -1.160 2.944 1.00 0.00 O ATOM 22 CB ALA A 134 16.430 -4.141 2.984 1.00 0.00 C ATOM 0 HA ALA A 134 16.872 -2.773 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.794 -4.780 2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.441 -4.549 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.034 -4.100 3.999 1.00 0.00 H new ATOM 28 N CYS A 135 14.184 -2.848 1.561 1.00 0.00 N ATOM 29 CA CYS A 135 12.800 -2.412 1.419 1.00 0.00 C ATOM 30 C CYS A 135 12.109 -2.382 2.777 1.00 0.00 C ATOM 31 O CYS A 135 12.502 -3.098 3.699 1.00 0.00 O ATOM 32 CB CYS A 135 12.055 -3.351 0.465 1.00 0.00 C ATOM 33 SG CYS A 135 12.673 -3.101 -1.220 1.00 0.00 S ATOM 0 H CYS A 135 14.420 -3.691 1.037 1.00 0.00 H new ATOM 0 HA CYS A 135 12.789 -1.403 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.201 -4.388 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.984 -3.155 0.505 1.00 0.00 H new ATOM 38 N GLN A 136 11.080 -1.538 2.902 1.00 0.00 N ATOM 39 CA GLN A 136 10.338 -1.408 4.160 1.00 0.00 C ATOM 40 C GLN A 136 8.859 -1.692 3.936 1.00 0.00 C ATOM 41 O GLN A 136 8.302 -1.341 2.898 1.00 0.00 O ATOM 42 CB GLN A 136 10.507 0.006 4.716 1.00 0.00 C ATOM 43 CG GLN A 136 11.974 0.242 5.078 1.00 0.00 C ATOM 44 CD GLN A 136 12.166 1.669 5.581 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.478 2.101 6.505 1.00 0.00 O ATOM 46 NE2 GLN A 136 13.065 2.431 5.021 1.00 0.00 N ATOM 0 H GLN A 136 10.743 -0.937 2.150 1.00 0.00 H new ATOM 0 HA GLN A 136 10.733 -2.131 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.181 0.739 3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.879 0.139 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.286 -0.467 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.605 0.067 4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.634 2.070 4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.199 3.387 5.349 1.00 0.00 H new ATOM 55 N PHE A 137 8.228 -2.336 4.914 1.00 0.00 N ATOM 56 CA PHE A 137 6.808 -2.674 4.817 1.00 0.00 C ATOM 57 C PHE A 137 5.957 -1.663 5.588 1.00 0.00 C ATOM 58 O PHE A 137 6.312 -1.252 6.693 1.00 0.00 O ATOM 59 CB PHE A 137 6.582 -4.087 5.374 1.00 0.00 C ATOM 60 CG PHE A 137 5.098 -4.370 5.510 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.254 -4.236 4.400 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.567 -4.764 6.746 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.889 -4.495 4.524 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.198 -5.024 6.869 1.00 0.00 C ATOM 65 CZ PHE A 137 2.358 -4.891 5.758 1.00 0.00 C ATOM 0 H PHE A 137 8.675 -2.634 5.781 1.00 0.00 H new ATOM 0 HA PHE A 137 6.508 -2.642 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.040 -4.823 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.068 -4.184 6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.661 -3.932 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.215 -4.867 7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.240 -4.390 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.789 -5.327 7.822 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.301 -5.093 5.852 1.00 0.00 H new ATOM 75 N SER A 138 4.830 -1.271 4.993 1.00 0.00 N ATOM 76 CA SER A 138 3.924 -0.310 5.623 1.00 0.00 C ATOM 77 C SER A 138 2.478 -0.592 5.215 1.00 0.00 C ATOM 78 O SER A 138 2.192 -0.841 4.044 1.00 0.00 O ATOM 79 CB SER A 138 4.306 1.110 5.205 1.00 0.00 C ATOM 80 OG SER A 138 3.701 2.039 6.095 1.00 0.00 O ATOM 0 H SER A 138 4.523 -1.603 4.079 1.00 0.00 H new ATOM 0 HA SER A 138 4.010 -0.408 6.705 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.390 1.227 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.979 1.301 4.183 1.00 0.00 H new ATOM 0 HG SER A 138 3.945 2.951 5.831 1.00 0.00 H new ATOM 86 N HIS A 139 1.569 -0.558 6.190 1.00 0.00 N ATOM 87 CA HIS A 139 0.146 -0.816 5.931 1.00 0.00 C ATOM 88 C HIS A 139 -0.732 0.244 6.591 1.00 0.00 C ATOM 89 O HIS A 139 -0.303 0.942 7.509 1.00 0.00 O ATOM 90 CB HIS A 139 -0.242 -2.199 6.459 1.00 0.00 C ATOM 91 CG HIS A 139 -0.153 -2.209 7.960 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.058 -1.864 8.932 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.988 -2.617 8.633 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.491 -2.052 10.189 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.743 -2.507 9.951 1.00 0.00 N flip ATOM 0 H HIS A 139 1.789 -0.355 7.165 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.012 -0.778 4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.255 -2.449 6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.419 -2.958 6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.907 -2.961 8.181 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -0.949 -1.870 11.150 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.417 -2.742 10.680 1.00 0.00 H new ATOM 104 N VAL A 140 -1.970 0.353 6.107 1.00 0.00 N ATOM 105 CA VAL A 140 -2.929 1.328 6.637 1.00 0.00 C ATOM 106 C VAL A 140 -4.295 0.664 6.816 1.00 0.00 C ATOM 107 O VAL A 140 -4.920 0.249 5.840 1.00 0.00 O ATOM 108 CB VAL A 140 -3.035 2.511 5.663 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.232 3.397 6.025 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.755 3.346 5.738 1.00 0.00 C ATOM 0 H VAL A 140 -2.334 -0.222 5.348 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.589 1.691 7.607 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.172 2.123 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.293 4.230 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.149 2.810 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.107 3.782 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.828 4.186 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.624 3.721 6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.900 2.727 5.467 1.00 0.00 H new ATOM 120 N ASN A 141 -4.754 0.555 8.066 1.00 0.00 N ATOM 121 CA ASN A 141 -6.048 -0.078 8.344 1.00 0.00 C ATOM 122 C ASN A 141 -6.706 0.518 9.592 1.00 0.00 C ATOM 123 O ASN A 141 -6.112 0.532 10.670 1.00 0.00 O ATOM 124 CB ASN A 141 -5.851 -1.586 8.543 1.00 0.00 C ATOM 125 CG ASN A 141 -5.184 -1.867 9.888 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.904 -1.855 10.975 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -3.979 -2.107 9.947 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.258 0.891 8.891 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.703 0.105 7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.814 -2.094 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.239 -1.988 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.418 -2.116 9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.540 -2.297 10.848 1.00 0.00 H new ATOM 134 N SER A 142 -7.949 0.987 9.442 1.00 0.00 N ATOM 135 CA SER A 142 -8.699 1.556 10.569 1.00 0.00 C ATOM 136 C SER A 142 -10.156 1.104 10.505 1.00 0.00 C ATOM 137 O SER A 142 -10.545 0.363 9.603 1.00 0.00 O ATOM 138 CB SER A 142 -8.625 3.087 10.562 1.00 0.00 C ATOM 139 OG SER A 142 -8.881 3.572 11.874 1.00 0.00 O ATOM 0 H SER A 142 -8.456 0.985 8.557 1.00 0.00 H new ATOM 0 HA SER A 142 -8.249 1.197 11.495 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.641 3.414 10.226 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.353 3.495 9.862 1.00 0.00 H new ATOM 0 HG SER A 142 -8.833 4.551 11.876 1.00 0.00 H new ATOM 145 N ARG A 143 -10.953 1.549 11.470 1.00 0.00 N ATOM 146 CA ARG A 143 -12.364 1.177 11.515 1.00 0.00 C ATOM 147 C ARG A 143 -13.167 1.902 10.435 1.00 0.00 C ATOM 148 O ARG A 143 -14.081 1.328 9.842 1.00 0.00 O ATOM 149 CB ARG A 143 -12.943 1.506 12.891 1.00 0.00 C ATOM 150 CG ARG A 143 -11.949 1.092 13.979 1.00 0.00 C ATOM 151 CD ARG A 143 -11.582 -0.385 13.809 1.00 0.00 C ATOM 152 NE ARG A 143 -10.972 -0.896 15.031 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.623 -2.172 15.142 1.00 0.00 C ATOM 154 NH1 ARG A 143 -10.822 -2.993 14.146 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.080 -2.609 16.246 1.00 0.00 N ATOM 0 H ARG A 143 -10.650 2.163 12.226 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.435 0.105 11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -13.152 2.573 12.963 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.890 0.985 13.032 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -11.052 1.709 13.919 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.384 1.257 14.965 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.474 -0.964 13.570 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.892 -0.502 12.973 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.811 -0.262 15.814 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.246 -2.654 13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -10.554 -3.973 14.232 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.923 -1.970 17.025 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -9.813 -3.590 16.329 1.00 0.00 H new ATOM 169 N ASP A 144 -12.838 3.171 10.198 1.00 0.00 N ATOM 170 CA ASP A 144 -13.553 3.972 9.200 1.00 0.00 C ATOM 171 C ASP A 144 -12.867 3.919 7.837 1.00 0.00 C ATOM 172 O ASP A 144 -13.500 4.151 6.807 1.00 0.00 O ATOM 173 CB ASP A 144 -13.629 5.425 9.668 1.00 0.00 C ATOM 174 CG ASP A 144 -14.489 6.240 8.707 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.645 5.888 8.534 1.00 0.00 O ATOM 176 OD2 ASP A 144 -13.980 7.203 8.158 1.00 0.00 O ATOM 0 H ASP A 144 -12.087 3.666 10.679 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.554 3.555 9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.050 5.470 10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.627 5.851 9.722 1.00 0.00 H new ATOM 181 N GLN A 145 -11.573 3.625 7.833 1.00 0.00 N ATOM 182 CA GLN A 145 -10.818 3.559 6.585 1.00 0.00 C ATOM 183 C GLN A 145 -11.416 2.511 5.641 1.00 0.00 C ATOM 184 O GLN A 145 -10.874 1.418 5.496 1.00 0.00 O ATOM 185 CB GLN A 145 -9.349 3.223 6.896 1.00 0.00 C ATOM 186 CG GLN A 145 -8.557 4.509 7.188 1.00 0.00 C ATOM 187 CD GLN A 145 -7.078 4.185 7.360 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.219 4.900 6.845 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.731 3.144 8.059 1.00 0.00 N ATOM 0 H GLN A 145 -11.027 3.430 8.672 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.871 4.527 6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.296 2.553 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.903 2.697 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.689 5.220 6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.941 4.985 8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.446 2.554 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.744 2.918 8.182 1.00 0.00 H new ATOM 198 N CYS A 146 -12.531 2.866 4.997 1.00 0.00 N ATOM 199 CA CYS A 146 -13.218 1.970 4.057 1.00 0.00 C ATOM 200 C CYS A 146 -13.249 2.601 2.659 1.00 0.00 C ATOM 201 O CYS A 146 -14.022 3.527 2.406 1.00 0.00 O ATOM 202 CB CYS A 146 -14.648 1.724 4.568 1.00 0.00 C ATOM 203 SG CYS A 146 -15.516 0.553 3.497 1.00 0.00 S ATOM 0 H CYS A 146 -12.982 3.774 5.109 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.687 1.021 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.614 1.337 5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.194 2.667 4.603 1.00 0.00 H new ATOM 208 N ASN A 147 -12.388 2.108 1.757 1.00 0.00 N ATOM 209 CA ASN A 147 -12.300 2.642 0.387 1.00 0.00 C ATOM 210 C ASN A 147 -12.214 1.517 -0.652 1.00 0.00 C ATOM 211 O ASN A 147 -11.972 0.359 -0.309 1.00 0.00 O ATOM 212 CB ASN A 147 -11.063 3.537 0.262 1.00 0.00 C ATOM 213 CG ASN A 147 -10.946 4.438 1.486 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.395 5.583 1.460 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.365 3.986 2.564 1.00 0.00 N ATOM 0 H ASN A 147 -11.743 1.342 1.949 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.205 3.218 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.168 2.923 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.132 4.143 -0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.283 4.583 3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.994 3.036 2.583 1.00 0.00 H new ATOM 222 N ASP A 148 -12.425 1.871 -1.924 1.00 0.00 N ATOM 223 CA ASP A 148 -12.380 0.892 -3.016 1.00 0.00 C ATOM 224 C ASP A 148 -10.947 0.497 -3.366 1.00 0.00 C ATOM 225 O ASP A 148 -9.993 1.206 -3.046 1.00 0.00 O ATOM 226 CB ASP A 148 -13.079 1.455 -4.257 1.00 0.00 C ATOM 227 CG ASP A 148 -12.609 2.877 -4.530 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.224 3.792 -4.010 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.644 3.030 -5.260 1.00 0.00 O ATOM 0 H ASP A 148 -12.628 2.825 -2.223 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.900 -0.003 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.868 0.823 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.159 1.444 -4.111 1.00 0.00 H new ATOM 234 N TYR A 149 -10.815 -0.654 -4.025 1.00 0.00 N ATOM 235 CA TYR A 149 -9.510 -1.169 -4.425 1.00 0.00 C ATOM 236 C TYR A 149 -8.674 -0.078 -5.089 1.00 0.00 C ATOM 237 O TYR A 149 -7.580 0.246 -4.627 1.00 0.00 O ATOM 238 CB TYR A 149 -9.700 -2.330 -5.408 1.00 0.00 C ATOM 239 CG TYR A 149 -8.379 -3.022 -5.659 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.970 -4.076 -4.831 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.567 -2.614 -6.725 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.750 -4.721 -5.069 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.347 -3.259 -6.961 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.940 -4.314 -6.134 1.00 0.00 C ATOM 245 OH TYR A 149 -4.738 -4.951 -6.369 1.00 0.00 O ATOM 0 H TYR A 149 -11.600 -1.248 -4.293 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.987 -1.514 -3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.421 -3.042 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.108 -1.958 -6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.596 -4.391 -4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.882 -1.803 -7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.435 -5.533 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.719 -2.943 -7.781 1.00 0.00 H new ATOM 0 HH TYR A 149 -4.004 -4.402 -6.023 1.00 0.00 H new ATOM 255 N GLN A 150 -9.197 0.479 -6.177 1.00 0.00 N ATOM 256 CA GLN A 150 -8.489 1.528 -6.901 1.00 0.00 C ATOM 257 C GLN A 150 -8.117 2.673 -5.965 1.00 0.00 C ATOM 258 O GLN A 150 -6.973 3.124 -5.948 1.00 0.00 O ATOM 259 CB GLN A 150 -9.361 2.057 -8.041 1.00 0.00 C ATOM 260 CG GLN A 150 -8.641 3.210 -8.751 1.00 0.00 C ATOM 261 CD GLN A 150 -9.222 3.413 -10.141 1.00 0.00 C ATOM 262 OE1 GLN A 150 -10.056 4.296 -10.349 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.825 2.642 -11.109 1.00 0.00 N ATOM 0 H GLN A 150 -10.101 0.224 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.574 1.103 -7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.574 1.257 -8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.319 2.400 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.743 4.126 -8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.575 2.994 -8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.134 1.913 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.204 2.766 -12.048 1.00 0.00 H new ATOM 272 N HIS A 151 -9.089 3.139 -5.189 1.00 0.00 N ATOM 273 CA HIS A 151 -8.843 4.232 -4.257 1.00 0.00 C ATOM 274 C HIS A 151 -7.628 3.918 -3.391 1.00 0.00 C ATOM 275 O HIS A 151 -6.736 4.751 -3.235 1.00 0.00 O ATOM 276 CB HIS A 151 -10.076 4.454 -3.362 1.00 0.00 C ATOM 277 CG HIS A 151 -11.090 5.301 -4.085 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.134 5.931 -3.424 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.235 5.627 -5.411 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.852 6.599 -4.345 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.347 6.447 -5.573 1.00 0.00 N ATOM 0 H HIS A 151 -10.044 2.782 -5.186 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.650 5.140 -4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.517 3.495 -3.092 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.779 4.941 -2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.584 5.297 -6.207 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.730 7.187 -4.119 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.701 6.846 -6.442 1.00 0.00 H new ATOM 290 N TRP A 152 -7.600 2.715 -2.824 1.00 0.00 N ATOM 291 CA TRP A 152 -6.483 2.328 -1.976 1.00 0.00 C ATOM 292 C TRP A 152 -5.175 2.374 -2.767 1.00 0.00 C ATOM 293 O TRP A 152 -4.176 2.911 -2.298 1.00 0.00 O ATOM 294 CB TRP A 152 -6.699 0.911 -1.402 1.00 0.00 C ATOM 295 CG TRP A 152 -7.477 0.955 -0.120 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.574 0.203 0.132 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.235 1.748 1.088 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.030 0.487 1.405 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.243 1.436 2.031 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.259 2.703 1.461 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.285 2.041 3.284 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.301 3.309 2.720 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.310 2.984 3.629 1.00 0.00 C ATOM 0 H TRP A 152 -8.324 2.005 -2.934 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.423 3.035 -1.148 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.229 0.298 -2.131 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.734 0.436 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.020 -0.504 -0.551 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.847 0.050 1.831 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.475 2.966 0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.065 1.784 3.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.548 4.034 2.992 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.338 3.460 4.598 1.00 0.00 H new ATOM 314 N LYS A 153 -5.191 1.798 -3.963 1.00 0.00 N ATOM 315 CA LYS A 153 -4.001 1.770 -4.807 1.00 0.00 C ATOM 316 C LYS A 153 -3.363 3.153 -4.888 1.00 0.00 C ATOM 317 O LYS A 153 -2.139 3.284 -4.859 1.00 0.00 O ATOM 318 CB LYS A 153 -4.390 1.270 -6.211 1.00 0.00 C ATOM 319 CG LYS A 153 -3.189 0.601 -6.921 1.00 0.00 C ATOM 320 CD LYS A 153 -3.676 -0.362 -8.017 1.00 0.00 C ATOM 321 CE LYS A 153 -4.152 0.431 -9.236 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.975 1.024 -9.934 1.00 0.00 N ATOM 0 H LYS A 153 -6.010 1.346 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.268 1.091 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.211 0.558 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.750 2.106 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.547 1.365 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.586 0.058 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.870 -1.037 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.488 -0.980 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.701 -0.221 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.839 1.218 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.226 1.232 -10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.694 1.904 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.183 0.350 -9.913 1.00 0.00 H new ATOM 336 N ASP A 154 -4.195 4.180 -4.983 1.00 0.00 N ATOM 337 CA ASP A 154 -3.685 5.541 -5.060 1.00 0.00 C ATOM 338 C ASP A 154 -3.201 6.012 -3.692 1.00 0.00 C ATOM 339 O ASP A 154 -2.096 6.536 -3.566 1.00 0.00 O ATOM 340 CB ASP A 154 -4.781 6.480 -5.567 1.00 0.00 C ATOM 341 CG ASP A 154 -5.112 6.159 -7.021 1.00 0.00 C ATOM 342 OD1 ASP A 154 -5.191 4.985 -7.344 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.282 7.092 -7.789 1.00 0.00 O ATOM 0 H ASP A 154 -5.212 4.100 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.844 5.555 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.674 6.376 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.453 7.516 -5.480 1.00 0.00 H new ATOM 348 N GLU A 155 -4.033 5.821 -2.670 1.00 0.00 N ATOM 349 CA GLU A 155 -3.677 6.237 -1.316 1.00 0.00 C ATOM 350 C GLU A 155 -2.369 5.585 -0.864 1.00 0.00 C ATOM 351 O GLU A 155 -1.446 6.275 -0.431 1.00 0.00 O ATOM 352 CB GLU A 155 -4.816 5.883 -0.347 1.00 0.00 C ATOM 353 CG GLU A 155 -4.362 6.076 1.116 1.00 0.00 C ATOM 354 CD GLU A 155 -5.553 6.442 2.001 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.620 5.894 1.782 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.378 7.266 2.885 1.00 0.00 O ATOM 0 H GLU A 155 -4.951 5.384 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.528 7.317 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.683 6.511 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.127 4.850 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.896 5.161 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.607 6.861 1.169 1.00 0.00 H new ATOM 363 N ALA A 156 -2.288 4.263 -0.970 1.00 0.00 N ATOM 364 CA ALA A 156 -1.075 3.557 -0.571 1.00 0.00 C ATOM 365 C ALA A 156 0.121 4.142 -1.309 1.00 0.00 C ATOM 366 O ALA A 156 1.233 4.181 -0.783 1.00 0.00 O ATOM 367 CB ALA A 156 -1.197 2.061 -0.884 1.00 0.00 C ATOM 0 H ALA A 156 -3.035 3.666 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.935 3.677 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.283 1.550 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.044 1.643 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.350 1.925 -1.955 1.00 0.00 H new ATOM 373 N GLY A 157 -0.123 4.606 -2.530 1.00 0.00 N ATOM 374 CA GLY A 157 0.935 5.201 -3.334 1.00 0.00 C ATOM 375 C GLY A 157 1.427 6.500 -2.702 1.00 0.00 C ATOM 376 O GLY A 157 2.631 6.715 -2.565 1.00 0.00 O ATOM 0 H GLY A 157 -1.038 4.581 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.764 4.500 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.567 5.397 -4.341 1.00 0.00 H new ATOM 380 N LYS A 158 0.490 7.365 -2.318 1.00 0.00 N ATOM 381 CA LYS A 158 0.848 8.637 -1.701 1.00 0.00 C ATOM 382 C LYS A 158 1.500 8.416 -0.340 1.00 0.00 C ATOM 383 O LYS A 158 2.436 9.124 0.026 1.00 0.00 O ATOM 384 CB LYS A 158 -0.394 9.521 -1.524 1.00 0.00 C ATOM 385 CG LYS A 158 -1.212 9.556 -2.827 1.00 0.00 C ATOM 386 CD LYS A 158 -2.017 10.859 -2.907 1.00 0.00 C ATOM 387 CE LYS A 158 -3.011 10.919 -1.745 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.981 12.024 -1.979 1.00 0.00 N ATOM 0 H LYS A 158 -0.513 7.209 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 158 1.557 9.136 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.009 9.137 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.094 10.532 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.546 9.477 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.886 8.700 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.345 11.717 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.549 10.912 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.539 9.970 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.481 11.079 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.657 12.066 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.469 12.927 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.495 11.852 -2.867 1.00 0.00 H new ATOM 402 N GLN A 159 0.996 7.441 0.408 1.00 0.00 N ATOM 403 CA GLN A 159 1.542 7.155 1.733 1.00 0.00 C ATOM 404 C GLN A 159 3.038 6.848 1.641 1.00 0.00 C ATOM 405 O GLN A 159 3.823 7.282 2.484 1.00 0.00 O ATOM 406 CB GLN A 159 0.791 5.967 2.376 1.00 0.00 C ATOM 407 CG GLN A 159 0.672 6.175 3.895 1.00 0.00 C ATOM 408 CD GLN A 159 -0.456 7.153 4.205 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.216 8.224 4.764 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.681 6.846 3.874 1.00 0.00 N ATOM 0 H GLN A 159 0.220 6.841 0.126 1.00 0.00 H new ATOM 0 HA GLN A 159 1.407 8.036 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.202 5.873 1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.321 5.037 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.481 5.221 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.613 6.556 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.877 5.958 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.442 7.494 4.078 1.00 0.00 H new ATOM 419 N CYS A 160 3.420 6.092 0.620 1.00 0.00 N ATOM 420 CA CYS A 160 4.818 5.730 0.434 1.00 0.00 C ATOM 421 C CYS A 160 5.619 6.901 -0.130 1.00 0.00 C ATOM 422 O CYS A 160 6.741 7.165 0.303 1.00 0.00 O ATOM 423 CB CYS A 160 4.913 4.544 -0.521 1.00 0.00 C ATOM 424 SG CYS A 160 6.558 3.802 -0.406 1.00 0.00 S ATOM 0 H CYS A 160 2.786 5.720 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 160 5.236 5.463 1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.151 3.804 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.721 4.871 -1.543 1.00 0.00 H new ATOM 429 N LYS A 161 5.039 7.590 -1.104 1.00 0.00 N ATOM 430 CA LYS A 161 5.711 8.723 -1.732 1.00 0.00 C ATOM 431 C LYS A 161 5.973 9.835 -0.720 1.00 0.00 C ATOM 432 O LYS A 161 7.098 10.319 -0.596 1.00 0.00 O ATOM 433 CB LYS A 161 4.857 9.268 -2.878 1.00 0.00 C ATOM 434 CG LYS A 161 4.855 8.265 -4.034 1.00 0.00 C ATOM 435 CD LYS A 161 3.777 8.655 -5.046 1.00 0.00 C ATOM 436 CE LYS A 161 3.748 7.631 -6.182 1.00 0.00 C ATOM 437 NZ LYS A 161 3.296 6.314 -5.653 1.00 0.00 N ATOM 0 H LYS A 161 4.111 7.387 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 161 6.668 8.375 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.838 9.445 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.251 10.227 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.832 8.248 -4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.668 7.260 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.804 8.699 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 161 3.980 9.649 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 161 3.076 7.967 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 161 4.739 7.536 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 4.052 5.611 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 3.072 6.404 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 2.447 6.005 -6.169 1.00 0.00 H new ATOM 451 N THR A 162 4.931 10.239 -0.002 1.00 0.00 N ATOM 452 CA THR A 162 5.074 11.298 0.991 1.00 0.00 C ATOM 453 C THR A 162 6.060 10.885 2.078 1.00 0.00 C ATOM 454 O THR A 162 6.729 11.727 2.676 1.00 0.00 O ATOM 455 CB THR A 162 3.711 11.632 1.613 1.00 0.00 C ATOM 456 OG1 THR A 162 3.814 12.845 2.347 1.00 0.00 O ATOM 457 CG2 THR A 162 3.272 10.507 2.552 1.00 0.00 C ATOM 0 H THR A 162 3.990 9.855 -0.086 1.00 0.00 H new ATOM 0 HA THR A 162 5.461 12.187 0.492 1.00 0.00 H new ATOM 0 HB THR A 162 2.973 11.741 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.945 13.062 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.304 10.754 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.191 9.576 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 162 4.008 10.388 3.347 1.00 0.00 H new ATOM 465 N LYS A 163 6.150 9.581 2.325 1.00 0.00 N ATOM 466 CA LYS A 163 7.064 9.069 3.338 1.00 0.00 C ATOM 467 C LYS A 163 8.496 9.083 2.811 1.00 0.00 C ATOM 468 O LYS A 163 8.724 9.034 1.602 1.00 0.00 O ATOM 469 CB LYS A 163 6.666 7.640 3.732 1.00 0.00 C ATOM 470 CG LYS A 163 5.496 7.680 4.732 1.00 0.00 C ATOM 471 CD LYS A 163 5.990 8.137 6.139 1.00 0.00 C ATOM 472 CE LYS A 163 5.252 9.410 6.580 1.00 0.00 C ATOM 473 NZ LYS A 163 3.795 9.123 6.703 1.00 0.00 N ATOM 0 H LYS A 163 5.606 8.866 1.842 1.00 0.00 H new ATOM 0 HA LYS A 163 7.006 9.710 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.379 7.075 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.518 7.125 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.726 8.362 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 163 5.039 6.693 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.823 7.342 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 163 7.064 8.323 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.646 9.760 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.416 10.208 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.365 9.792 7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.341 9.225 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.661 8.152 7.049 1.00 0.00 H new ATOM 487 N LYS A 164 9.459 9.158 3.728 1.00 0.00 N ATOM 488 CA LYS A 164 10.871 9.186 3.354 1.00 0.00 C ATOM 489 C LYS A 164 11.706 8.400 4.360 1.00 0.00 C ATOM 490 O LYS A 164 11.250 8.105 5.464 1.00 0.00 O ATOM 491 CB LYS A 164 11.371 10.636 3.304 1.00 0.00 C ATOM 492 CG LYS A 164 10.946 11.397 4.583 1.00 0.00 C ATOM 493 CD LYS A 164 9.610 12.124 4.363 1.00 0.00 C ATOM 494 CE LYS A 164 9.294 12.984 5.590 1.00 0.00 C ATOM 495 NZ LYS A 164 9.160 12.110 6.788 1.00 0.00 N ATOM 0 H LYS A 164 9.288 9.200 4.733 1.00 0.00 H new ATOM 0 HA LYS A 164 10.975 8.729 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.457 10.650 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.967 11.137 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.853 10.698 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.717 12.117 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.665 12.748 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.812 11.400 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 164 10.086 13.716 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.372 13.542 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 8.673 12.631 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.609 11.263 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 10.104 11.824 7.117 1.00 0.00 H new ATOM 509 N SER A 165 12.933 8.070 3.969 1.00 0.00 N ATOM 510 CA SER A 165 13.827 7.321 4.845 1.00 0.00 C ATOM 511 C SER A 165 14.457 8.250 5.879 1.00 0.00 C ATOM 512 O SER A 165 14.239 9.461 5.853 1.00 0.00 O ATOM 513 CB SER A 165 14.925 6.652 4.016 1.00 0.00 C ATOM 514 OG SER A 165 14.373 5.547 3.313 1.00 0.00 O ATOM 0 H SER A 165 13.328 8.307 3.059 1.00 0.00 H new ATOM 0 HA SER A 165 13.249 6.556 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 165 15.354 7.367 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.734 6.318 4.665 1.00 0.00 H new ATOM 0 HG SER A 165 13.404 5.664 3.229 1.00 0.00 H new ATOM 520 N LYS A 166 15.236 7.675 6.788 1.00 0.00 N ATOM 521 CA LYS A 166 15.890 8.464 7.828 1.00 0.00 C ATOM 522 C LYS A 166 16.706 9.593 7.205 1.00 0.00 C ATOM 523 O LYS A 166 16.852 10.664 7.796 1.00 0.00 O ATOM 524 CB LYS A 166 16.807 7.565 8.665 1.00 0.00 C ATOM 525 CG LYS A 166 17.279 8.311 9.929 1.00 0.00 C ATOM 526 CD LYS A 166 16.236 8.185 11.047 1.00 0.00 C ATOM 527 CE LYS A 166 16.805 8.774 12.340 1.00 0.00 C ATOM 528 NZ LYS A 166 15.754 8.760 13.397 1.00 0.00 N ATOM 0 H LYS A 166 15.430 6.674 6.827 1.00 0.00 H new ATOM 0 HA LYS A 166 15.124 8.897 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.277 6.656 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.669 7.260 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.232 7.903 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.447 9.363 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.322 8.708 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 166 15.971 7.138 11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 166 17.671 8.197 12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 166 17.149 9.794 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 16.140 9.160 14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.941 9.329 13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.447 7.781 13.568 1.00 0.00 H new ATOM 542 N GLY A 167 17.239 9.346 6.011 1.00 0.00 N ATOM 543 CA GLY A 167 18.043 10.347 5.311 1.00 0.00 C ATOM 544 C GLY A 167 17.175 11.200 4.393 1.00 0.00 C ATOM 545 O GLY A 167 17.632 11.665 3.348 1.00 0.00 O ATOM 0 H GLY A 167 17.130 8.465 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.548 10.985 6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.819 9.852 4.727 1.00 0.00 H new ATOM 549 N ASN A 168 15.922 11.404 4.787 1.00 0.00 N ATOM 550 CA ASN A 168 15.001 12.205 3.987 1.00 0.00 C ATOM 551 C ASN A 168 15.077 11.799 2.518 1.00 0.00 C ATOM 552 O ASN A 168 15.101 12.649 1.628 1.00 0.00 O ATOM 553 CB ASN A 168 15.342 13.689 4.127 1.00 0.00 C ATOM 554 CG ASN A 168 15.254 14.109 5.590 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.223 14.617 6.150 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.141 13.924 6.246 1.00 0.00 N ATOM 0 H ASN A 168 15.523 11.030 5.648 1.00 0.00 H new ATOM 0 HA ASN A 168 13.988 12.031 4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.346 13.877 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.656 14.286 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.074 14.201 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.338 13.502 5.779 1.00 0.00 H new ATOM 563 N LYS A 169 15.118 10.491 2.273 1.00 0.00 N ATOM 564 CA LYS A 169 15.196 9.967 0.908 1.00 0.00 C ATOM 565 C LYS A 169 13.788 9.696 0.367 1.00 0.00 C ATOM 566 O LYS A 169 12.795 10.113 0.964 1.00 0.00 O ATOM 567 CB LYS A 169 16.041 8.668 0.909 1.00 0.00 C ATOM 568 CG LYS A 169 16.999 8.641 -0.293 1.00 0.00 C ATOM 569 CD LYS A 169 17.511 7.215 -0.513 1.00 0.00 C ATOM 570 CE LYS A 169 18.400 7.178 -1.757 1.00 0.00 C ATOM 571 NZ LYS A 169 19.354 8.323 -1.721 1.00 0.00 N ATOM 0 H LYS A 169 15.099 9.775 2.999 1.00 0.00 H new ATOM 0 HA LYS A 169 15.673 10.702 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.611 8.600 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.383 7.800 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.486 8.996 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.837 9.316 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.073 6.881 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.671 6.530 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.947 6.236 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.787 7.230 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.182 8.104 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.885 9.177 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.661 8.488 -0.741 1.00 0.00 H new ATOM 585 N ASP A 170 13.711 8.995 -0.764 1.00 0.00 N ATOM 586 CA ASP A 170 12.423 8.666 -1.384 1.00 0.00 C ATOM 587 C ASP A 170 12.270 7.155 -1.511 1.00 0.00 C ATOM 588 O ASP A 170 13.257 6.421 -1.505 1.00 0.00 O ATOM 589 CB ASP A 170 12.340 9.305 -2.774 1.00 0.00 C ATOM 590 CG ASP A 170 10.933 9.139 -3.339 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.023 9.739 -2.794 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.788 8.415 -4.309 1.00 0.00 O ATOM 0 H ASP A 170 14.523 8.643 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 170 11.622 9.054 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.594 10.363 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.066 8.841 -3.441 1.00 0.00 H new ATOM 597 N MET A 171 11.026 6.694 -1.625 1.00 0.00 N ATOM 598 CA MET A 171 10.753 5.262 -1.752 1.00 0.00 C ATOM 599 C MET A 171 9.503 5.023 -2.592 1.00 0.00 C ATOM 600 O MET A 171 8.489 5.701 -2.426 1.00 0.00 O ATOM 601 CB MET A 171 10.550 4.643 -0.366 1.00 0.00 C ATOM 602 CG MET A 171 11.764 4.940 0.518 1.00 0.00 C ATOM 603 SD MET A 171 11.668 3.952 2.034 1.00 0.00 S ATOM 604 CE MET A 171 11.889 2.317 1.283 1.00 0.00 C ATOM 0 H MET A 171 10.195 7.286 -1.632 1.00 0.00 H new ATOM 0 HA MET A 171 11.607 4.796 -2.244 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.647 5.045 0.093 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.409 3.566 -0.456 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.684 4.710 -0.020 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.796 6.001 0.765 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.179 1.600 2.051 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.953 1.998 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.668 2.368 0.522 1.00 0.00 H new ATOM 614 N ILE A 172 9.579 4.037 -3.485 1.00 0.00 N ATOM 615 CA ILE A 172 8.445 3.691 -4.341 1.00 0.00 C ATOM 616 C ILE A 172 7.603 2.619 -3.663 1.00 0.00 C ATOM 617 O ILE A 172 7.841 2.283 -2.507 1.00 0.00 O ATOM 618 CB ILE A 172 8.944 3.181 -5.702 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.756 1.885 -5.533 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.838 4.244 -6.342 1.00 0.00 C ATOM 621 CD1 ILE A 172 10.065 1.293 -6.911 1.00 0.00 C ATOM 0 H ILE A 172 10.411 3.466 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 172 7.836 4.581 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 172 8.080 2.978 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.683 2.091 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.195 1.167 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.194 3.886 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.268 5.162 -6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.690 4.442 -5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.640 0.375 -6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.132 1.072 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.643 2.010 -7.494 1.00 0.00 H new ATOM 633 N VAL A 173 6.636 2.069 -4.395 1.00 0.00 N ATOM 634 CA VAL A 173 5.778 1.006 -3.863 1.00 0.00 C ATOM 635 C VAL A 173 6.042 -0.289 -4.624 1.00 0.00 C ATOM 636 O VAL A 173 5.678 -0.427 -5.792 1.00 0.00 O ATOM 637 CB VAL A 173 4.299 1.407 -3.976 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.407 0.199 -3.665 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.994 2.533 -2.974 1.00 0.00 C ATOM 0 H VAL A 173 6.425 2.339 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 173 6.008 0.852 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 173 4.099 1.753 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.360 0.489 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.618 -0.601 -4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.609 -0.151 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.945 2.817 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.199 2.185 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.622 3.396 -3.195 1.00 0.00 H new ATOM 649 N ARG A 174 6.699 -1.225 -3.949 1.00 0.00 N ATOM 650 CA ARG A 174 7.041 -2.509 -4.550 1.00 0.00 C ATOM 651 C ARG A 174 5.787 -3.360 -4.761 1.00 0.00 C ATOM 652 O ARG A 174 5.475 -3.746 -5.888 1.00 0.00 O ATOM 653 CB ARG A 174 8.075 -3.226 -3.641 1.00 0.00 C ATOM 654 CG ARG A 174 7.842 -4.750 -3.585 1.00 0.00 C ATOM 655 CD ARG A 174 9.078 -5.437 -3.002 1.00 0.00 C ATOM 656 NE ARG A 174 10.141 -5.495 -4.000 1.00 0.00 N ATOM 657 CZ ARG A 174 11.298 -6.094 -3.739 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.500 -6.643 -2.572 1.00 0.00 N ATOM 659 NH2 ARG A 174 12.232 -6.132 -4.648 1.00 0.00 N ATOM 0 H ARG A 174 7.006 -1.118 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 174 7.485 -2.352 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.081 -3.027 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.018 -2.814 -2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 174 6.968 -4.972 -2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.638 -5.134 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.424 -4.894 -2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.822 -6.444 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 174 9.993 -5.068 -4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 174 10.770 -6.612 -1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.388 -7.103 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 174 12.074 -5.702 -5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 174 13.120 -6.592 -4.448 1.00 0.00 H new ATOM 673 N SER A 175 5.085 -3.663 -3.672 1.00 0.00 N ATOM 674 CA SER A 175 3.873 -4.492 -3.746 1.00 0.00 C ATOM 675 C SER A 175 2.668 -3.741 -3.188 1.00 0.00 C ATOM 676 O SER A 175 2.815 -2.699 -2.549 1.00 0.00 O ATOM 677 CB SER A 175 4.093 -5.791 -2.966 1.00 0.00 C ATOM 678 OG SER A 175 4.831 -6.700 -3.773 1.00 0.00 O ATOM 0 H SER A 175 5.328 -3.352 -2.731 1.00 0.00 H new ATOM 0 HA SER A 175 3.672 -4.727 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 175 4.632 -5.587 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 175 3.135 -6.229 -2.687 1.00 0.00 H new ATOM 0 HG SER A 175 4.976 -7.533 -3.278 1.00 0.00 H new ATOM 684 N PHE A 176 1.476 -4.274 -3.443 1.00 0.00 N ATOM 685 CA PHE A 176 0.255 -3.639 -2.969 1.00 0.00 C ATOM 686 C PHE A 176 -0.932 -4.603 -3.066 1.00 0.00 C ATOM 687 O PHE A 176 -1.143 -5.252 -4.091 1.00 0.00 O ATOM 688 CB PHE A 176 0.009 -2.354 -3.789 1.00 0.00 C ATOM 689 CG PHE A 176 -1.460 -1.975 -3.792 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.981 -1.209 -2.751 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.295 -2.394 -4.834 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.329 -0.864 -2.740 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.652 -2.043 -4.827 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.169 -1.278 -3.776 1.00 0.00 C ATOM 0 H PHE A 176 1.332 -5.135 -3.970 1.00 0.00 H new ATOM 0 HA PHE A 176 0.364 -3.373 -1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.597 -1.536 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.351 -2.503 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.336 -0.882 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.894 -2.987 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.727 -0.274 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.297 -2.363 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.215 -1.008 -3.766 1.00 0.00 H new ATOM 704 N ALA A 177 -1.700 -4.679 -1.982 1.00 0.00 N ATOM 705 CA ALA A 177 -2.870 -5.555 -1.923 1.00 0.00 C ATOM 706 C ALA A 177 -3.748 -5.159 -0.739 1.00 0.00 C ATOM 707 O ALA A 177 -3.231 -4.807 0.314 1.00 0.00 O ATOM 708 CB ALA A 177 -2.428 -7.011 -1.766 1.00 0.00 C ATOM 0 H ALA A 177 -1.534 -4.144 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.437 -5.452 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.306 -7.655 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.809 -7.297 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.853 -7.120 -0.846 1.00 0.00 H new ATOM 714 N VAL A 178 -5.069 -5.212 -0.909 1.00 0.00 N ATOM 715 CA VAL A 178 -5.971 -4.828 0.178 1.00 0.00 C ATOM 716 C VAL A 178 -5.896 -5.829 1.329 1.00 0.00 C ATOM 717 O VAL A 178 -5.357 -6.924 1.176 1.00 0.00 O ATOM 718 CB VAL A 178 -7.413 -4.705 -0.324 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.515 -3.510 -1.280 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.832 -5.989 -1.052 1.00 0.00 C ATOM 0 H VAL A 178 -5.531 -5.510 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.650 -3.854 0.546 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.078 -4.553 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.540 -3.418 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.232 -2.598 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.845 -3.663 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.859 -5.889 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.171 -6.157 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.764 -6.834 -0.367 1.00 0.00 H new ATOM 730 N LEU A 179 -6.414 -5.428 2.498 1.00 0.00 N ATOM 731 CA LEU A 179 -6.369 -6.281 3.691 1.00 0.00 C ATOM 732 C LEU A 179 -7.762 -6.751 4.115 1.00 0.00 C ATOM 733 O LEU A 179 -8.289 -7.731 3.589 1.00 0.00 O ATOM 734 CB LEU A 179 -5.739 -5.504 4.863 1.00 0.00 C ATOM 735 CG LEU A 179 -4.213 -5.383 4.690 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.627 -4.480 5.816 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.561 -6.794 4.722 1.00 0.00 C ATOM 0 H LEU A 179 -6.866 -4.525 2.642 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.771 -7.156 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.181 -4.510 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -5.963 -6.011 5.802 1.00 0.00 H new ATOM 0 HG LEU A 179 -3.993 -4.925 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.547 -4.397 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.077 -3.489 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.846 -4.922 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.482 -6.699 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.777 -7.273 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -3.967 -7.401 3.912 1.00 0.00 H new ATOM 749 N GLU A 180 -8.325 -6.062 5.106 1.00 0.00 N ATOM 750 CA GLU A 180 -9.630 -6.431 5.645 1.00 0.00 C ATOM 751 C GLU A 180 -10.765 -6.087 4.674 1.00 0.00 C ATOM 752 O GLU A 180 -10.686 -5.089 3.956 1.00 0.00 O ATOM 753 CB GLU A 180 -9.859 -5.700 6.969 1.00 0.00 C ATOM 754 CG GLU A 180 -8.938 -6.281 8.044 1.00 0.00 C ATOM 755 CD GLU A 180 -8.936 -5.378 9.272 1.00 0.00 C ATOM 756 OE1 GLU A 180 -8.639 -4.204 9.121 1.00 0.00 O ATOM 757 OE2 GLU A 180 -9.233 -5.872 10.347 1.00 0.00 O ATOM 0 H GLU A 180 -7.899 -5.248 5.550 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.635 -7.510 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.664 -4.635 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.900 -5.800 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.272 -7.282 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.925 -6.379 7.653 1.00 0.00 H new ATOM 764 N PRO A 181 -11.819 -6.878 4.641 1.00 0.00 N ATOM 765 CA PRO A 181 -12.985 -6.626 3.742 1.00 0.00 C ATOM 766 C PRO A 181 -13.941 -5.562 4.294 1.00 0.00 C ATOM 767 O PRO A 181 -14.139 -5.443 5.503 1.00 0.00 O ATOM 768 CB PRO A 181 -13.672 -7.991 3.690 1.00 0.00 C ATOM 769 CG PRO A 181 -13.436 -8.561 5.045 1.00 0.00 C ATOM 770 CD PRO A 181 -12.028 -8.107 5.442 1.00 0.00 C ATOM 0 HA PRO A 181 -12.679 -6.241 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.737 -7.895 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.247 -8.623 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.179 -8.201 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.508 -9.649 5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -11.958 -7.905 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.282 -8.867 5.212 1.00 0.00 H new ATOM 778 N CYS A 182 -14.534 -4.808 3.376 1.00 0.00 N ATOM 779 CA CYS A 182 -15.495 -3.748 3.703 1.00 0.00 C ATOM 780 C CYS A 182 -16.694 -3.887 2.767 1.00 0.00 C ATOM 781 O CYS A 182 -16.823 -4.899 2.080 1.00 0.00 O ATOM 782 CB CYS A 182 -14.846 -2.370 3.552 1.00 0.00 C ATOM 783 SG CYS A 182 -15.667 -1.144 4.595 1.00 0.00 S ATOM 0 H CYS A 182 -14.364 -4.911 2.376 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.821 -3.844 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.791 -2.431 3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.893 -2.055 2.510 1.00 0.00 H new ATOM 788 N ALA A 183 -17.578 -2.888 2.763 1.00 0.00 N ATOM 789 CA ALA A 183 -18.776 -2.924 1.914 1.00 0.00 C ATOM 790 C ALA A 183 -18.506 -3.617 0.571 1.00 0.00 C ATOM 791 O ALA A 183 -17.357 -3.775 0.164 1.00 0.00 O ATOM 792 CB ALA A 183 -19.263 -1.497 1.655 1.00 0.00 C ATOM 0 H ALA A 183 -17.490 -2.047 3.334 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.538 -3.497 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.152 -1.525 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.505 -1.017 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.479 -0.931 1.152 1.00 0.00 H new ATOM 798 N LEU A 184 -19.593 -4.036 -0.086 1.00 0.00 N ATOM 799 CA LEU A 184 -19.542 -4.747 -1.378 1.00 0.00 C ATOM 800 C LEU A 184 -18.180 -4.638 -2.077 1.00 0.00 C ATOM 801 O LEU A 184 -17.471 -5.635 -2.217 1.00 0.00 O ATOM 802 CB LEU A 184 -20.642 -4.197 -2.301 1.00 0.00 C ATOM 803 CG LEU A 184 -21.085 -5.264 -3.311 1.00 0.00 C ATOM 804 CD1 LEU A 184 -22.176 -4.682 -4.214 1.00 0.00 C ATOM 805 CD2 LEU A 184 -19.891 -5.704 -4.168 1.00 0.00 C ATOM 0 H LEU A 184 -20.541 -3.893 0.262 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.702 -5.805 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.496 -3.876 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.274 -3.318 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.474 -6.129 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -22.494 -5.437 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -23.028 -4.379 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -21.784 -3.816 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -20.215 -6.461 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -19.493 -4.844 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -19.115 -6.120 -3.525 1.00 0.00 H new ATOM 817 N ASP A 185 -17.821 -3.433 -2.521 1.00 0.00 N ATOM 818 CA ASP A 185 -16.541 -3.217 -3.214 1.00 0.00 C ATOM 819 C ASP A 185 -15.684 -2.219 -2.449 1.00 0.00 C ATOM 820 O ASP A 185 -15.460 -1.101 -2.911 1.00 0.00 O ATOM 821 CB ASP A 185 -16.801 -2.688 -4.625 1.00 0.00 C ATOM 822 CG ASP A 185 -15.489 -2.600 -5.397 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.982 -3.640 -5.785 1.00 0.00 O ATOM 824 OD2 ASP A 185 -15.011 -1.494 -5.592 1.00 0.00 O ATOM 0 H ASP A 185 -18.391 -2.594 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 185 -16.011 -4.168 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.496 -3.345 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.269 -1.705 -4.574 1.00 0.00 H new ATOM 829 N MET A 186 -15.216 -2.628 -1.274 1.00 0.00 N ATOM 830 CA MET A 186 -14.396 -1.756 -0.439 1.00 0.00 C ATOM 831 C MET A 186 -13.573 -2.572 0.558 1.00 0.00 C ATOM 832 O MET A 186 -13.869 -3.738 0.814 1.00 0.00 O ATOM 833 CB MET A 186 -15.294 -0.759 0.311 1.00 0.00 C ATOM 834 CG MET A 186 -15.846 0.302 -0.649 1.00 0.00 C ATOM 835 SD MET A 186 -16.383 1.743 0.305 1.00 0.00 S ATOM 836 CE MET A 186 -16.018 3.001 -0.944 1.00 0.00 C ATOM 0 H MET A 186 -15.389 -3.553 -0.880 1.00 0.00 H new ATOM 0 HA MET A 186 -13.707 -1.209 -1.083 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.118 -1.291 0.786 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.725 -0.277 1.106 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.081 0.592 -1.369 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.682 -0.105 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.161 3.993 -0.514 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.985 2.895 -1.276 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.688 2.874 -1.795 1.00 0.00 H new ATOM 846 N PHE A 187 -12.535 -1.942 1.120 1.00 0.00 N ATOM 847 CA PHE A 187 -11.662 -2.606 2.099 1.00 0.00 C ATOM 848 C PHE A 187 -11.407 -1.700 3.307 1.00 0.00 C ATOM 849 O PHE A 187 -11.120 -0.512 3.156 1.00 0.00 O ATOM 850 CB PHE A 187 -10.345 -2.970 1.423 1.00 0.00 C ATOM 851 CG PHE A 187 -10.658 -3.900 0.282 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.763 -5.274 0.512 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.878 -3.383 -1.000 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.081 -6.137 -0.541 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.200 -4.243 -2.053 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.301 -5.623 -1.825 1.00 0.00 C ATOM 0 H PHE A 187 -12.278 -0.976 0.915 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.153 -3.510 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.842 -2.074 1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.670 -3.449 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.598 -5.670 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.799 -2.320 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.157 -7.200 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.371 -3.845 -3.042 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.548 -6.289 -2.639 1.00 0.00 H new ATOM 866 N THR A 188 -11.542 -2.272 4.508 1.00 0.00 N ATOM 867 CA THR A 188 -11.354 -1.504 5.742 1.00 0.00 C ATOM 868 C THR A 188 -9.892 -1.093 5.919 1.00 0.00 C ATOM 869 O THR A 188 -9.584 -0.192 6.700 1.00 0.00 O ATOM 870 CB THR A 188 -11.811 -2.315 6.983 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.675 -2.745 7.723 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.626 -3.542 6.564 1.00 0.00 C ATOM 0 H THR A 188 -11.778 -3.254 4.651 1.00 0.00 H new ATOM 0 HA THR A 188 -11.968 -0.608 5.657 1.00 0.00 H new ATOM 0 HB THR A 188 -12.436 -1.668 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.969 -3.255 8.506 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.935 -4.094 7.452 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.509 -3.221 6.011 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.015 -4.185 5.931 1.00 0.00 H new ATOM 880 N GLY A 189 -8.995 -1.765 5.206 1.00 0.00 N ATOM 881 CA GLY A 189 -7.573 -1.462 5.317 1.00 0.00 C ATOM 882 C GLY A 189 -6.799 -2.052 4.149 1.00 0.00 C ATOM 883 O GLY A 189 -7.297 -2.928 3.443 1.00 0.00 O ATOM 0 H GLY A 189 -9.223 -2.514 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.429 -0.382 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.184 -1.860 6.254 1.00 0.00 H new ATOM 887 N VAL A 190 -5.574 -1.566 3.943 1.00 0.00 N ATOM 888 CA VAL A 190 -4.745 -2.061 2.844 1.00 0.00 C ATOM 889 C VAL A 190 -3.271 -2.147 3.234 1.00 0.00 C ATOM 890 O VAL A 190 -2.757 -1.305 3.970 1.00 0.00 O ATOM 891 CB VAL A 190 -4.911 -1.143 1.618 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.470 0.284 1.977 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.072 -1.664 0.421 1.00 0.00 C ATOM 0 H VAL A 190 -5.139 -0.841 4.513 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.079 -3.070 2.602 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.962 -1.140 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.589 0.931 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.084 0.660 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.424 0.275 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.205 -1.000 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.018 -1.691 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.402 -2.668 0.155 1.00 0.00 H new ATOM 903 N GLU A 191 -2.595 -3.175 2.717 1.00 0.00 N ATOM 904 CA GLU A 191 -1.170 -3.382 2.984 1.00 0.00 C ATOM 905 C GLU A 191 -0.359 -3.156 1.713 1.00 0.00 C ATOM 906 O GLU A 191 -0.774 -3.554 0.624 1.00 0.00 O ATOM 907 CB GLU A 191 -0.938 -4.804 3.520 1.00 0.00 C ATOM 908 CG GLU A 191 -1.175 -5.865 2.433 1.00 0.00 C ATOM 909 CD GLU A 191 -0.877 -7.251 2.995 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.006 -7.350 3.843 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.525 -8.192 2.571 1.00 0.00 O ATOM 0 H GLU A 191 -3.013 -3.879 2.109 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.843 -2.665 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.081 -4.890 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.605 -4.989 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.206 -5.818 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.537 -5.666 1.572 1.00 0.00 H new ATOM 918 N PHE A 192 0.801 -2.520 1.853 1.00 0.00 N ATOM 919 CA PHE A 192 1.662 -2.258 0.701 1.00 0.00 C ATOM 920 C PHE A 192 3.119 -2.159 1.128 1.00 0.00 C ATOM 921 O PHE A 192 3.428 -1.692 2.224 1.00 0.00 O ATOM 922 CB PHE A 192 1.242 -0.968 -0.009 1.00 0.00 C ATOM 923 CG PHE A 192 1.141 0.178 0.973 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.088 0.220 1.895 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.093 1.207 0.949 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.011 1.288 2.795 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.991 2.275 1.847 1.00 0.00 C ATOM 928 CZ PHE A 192 0.939 2.315 2.770 1.00 0.00 C ATOM 0 H PHE A 192 1.165 -2.179 2.743 1.00 0.00 H new ATOM 0 HA PHE A 192 1.554 -3.092 0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.966 -0.724 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.281 -1.116 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.647 -0.571 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.905 1.175 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.821 1.319 3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.724 3.068 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.861 3.139 3.463 1.00 0.00 H new ATOM 938 N VAL A 193 4.014 -2.610 0.252 1.00 0.00 N ATOM 939 CA VAL A 193 5.452 -2.576 0.544 1.00 0.00 C ATOM 940 C VAL A 193 6.117 -1.409 -0.166 1.00 0.00 C ATOM 941 O VAL A 193 5.667 -0.970 -1.223 1.00 0.00 O ATOM 942 CB VAL A 193 6.117 -3.874 0.085 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.621 -3.803 0.371 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.508 -5.060 0.838 1.00 0.00 C ATOM 0 H VAL A 193 3.776 -3.001 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 193 5.571 -2.460 1.621 1.00 0.00 H new ATOM 0 HB VAL A 193 5.954 -4.006 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.097 -4.727 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.055 -2.961 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.782 -3.670 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.984 -5.983 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.667 -4.932 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.439 -5.110 0.634 1.00 0.00 H new ATOM 954 N CYS A 194 7.204 -0.915 0.424 1.00 0.00 N ATOM 955 CA CYS A 194 7.954 0.204 -0.153 1.00 0.00 C ATOM 956 C CYS A 194 9.402 -0.204 -0.401 1.00 0.00 C ATOM 957 O CYS A 194 9.929 -1.081 0.280 1.00 0.00 O ATOM 958 CB CYS A 194 7.923 1.399 0.800 1.00 0.00 C ATOM 959 SG CYS A 194 6.287 2.169 0.750 1.00 0.00 S ATOM 0 H CYS A 194 7.586 -1.270 1.300 1.00 0.00 H new ATOM 0 HA CYS A 194 7.491 0.481 -1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.153 1.074 1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.686 2.124 0.517 1.00 0.00 H new ATOM 964 N CYS A 195 10.044 0.438 -1.379 1.00 0.00 N ATOM 965 CA CYS A 195 11.440 0.128 -1.704 1.00 0.00 C ATOM 966 C CYS A 195 12.210 1.407 -2.065 1.00 0.00 C ATOM 967 O CYS A 195 11.640 2.329 -2.648 1.00 0.00 O ATOM 968 CB CYS A 195 11.479 -0.855 -2.877 1.00 0.00 C ATOM 969 SG CYS A 195 11.056 -2.514 -2.279 1.00 0.00 S ATOM 0 H CYS A 195 9.626 1.169 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 195 11.915 -0.322 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.777 -0.544 -3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.471 -0.860 -3.330 1.00 0.00 H new ATOM 974 N PRO A 196 13.487 1.494 -1.733 1.00 0.00 N ATOM 975 CA PRO A 196 14.316 2.704 -2.038 1.00 0.00 C ATOM 976 C PRO A 196 14.718 2.780 -3.510 1.00 0.00 C ATOM 977 O PRO A 196 15.516 3.633 -3.900 1.00 0.00 O ATOM 978 CB PRO A 196 15.545 2.516 -1.142 1.00 0.00 C ATOM 979 CG PRO A 196 15.706 1.036 -1.046 1.00 0.00 C ATOM 980 CD PRO A 196 14.286 0.464 -1.035 1.00 0.00 C ATOM 0 HA PRO A 196 13.776 3.633 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.429 2.985 -1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.394 2.965 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.277 0.649 -1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.247 0.759 -0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.237 -0.496 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.928 0.301 -0.018 1.00 0.00 H new ATOM 988 N ASN A 197 14.165 1.888 -4.321 1.00 0.00 N ATOM 989 CA ASN A 197 14.478 1.870 -5.745 1.00 0.00 C ATOM 990 C ASN A 197 14.384 3.278 -6.327 1.00 0.00 C ATOM 991 O ASN A 197 13.706 4.100 -5.732 1.00 0.00 O ATOM 992 CB ASN A 197 13.503 0.939 -6.472 1.00 0.00 C ATOM 993 CG ASN A 197 13.905 -0.517 -6.272 1.00 0.00 C ATOM 994 OD1 ASN A 197 15.011 -0.802 -5.807 1.00 0.00 O ATOM 995 ND2 ASN A 197 13.068 -1.461 -6.597 1.00 0.00 N ATOM 996 OXT ASN A 197 14.989 3.514 -7.359 1.00 0.00 O ATOM 0 H ASN A 197 13.503 1.173 -4.021 1.00 0.00 H new ATOM 0 HA ASN A 197 15.496 1.505 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.492 1.098 -6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.490 1.176 -7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.327 -2.439 -6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.154 -1.222 -6.981 1.00 0.00 H new