USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 805 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 187 HIS : no HE2:sc= -0.147 K(o=-0.15,f=-4.1!) USER MOD Set 1.2: A 191 THR OG1 : rot -140:sc= 0 USER MOD Set 2.1: A 190 THR OG1 : rot 180:sc= 0.0294 USER MOD Set 2.2: A 194 LYS NZ :NH3+ 144:sc= 0.0102 (180deg=0) USER MOD Set 3.1: A 162 TYR OH : rot -132:sc= 0.576 USER MOD Set 3.2: A 186 GLN : amide:sc= 0.0305 X(o=0.61,f=0.17) USER MOD Set 4.1: A 177 HIS :FLIP no HD1:sc= -0.369 F(o=-1.7,f=-0.49) USER MOD Set 4.2: A 181 ASN : amide:sc= -0.118 K(o=-0.49,f=-1.1) USER MOD Set 5.1: A 138 MET CE :methyl 173:sc= -1.43 (180deg=-1.7) USER MOD Set 5.2: A 154 MET CE :methyl -146:sc= -0.865 (180deg=-2.69!) USER MOD Single : A 128 TYR OH : rot -105:sc= 0.0883 USER MOD Single : A 129 MET CE :methyl 158:sc= -2.57! (180deg=-4.19!) USER MOD Single : A 132 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 134 MET CE :methyl -152:sc= -0.355 (180deg=-0.676) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 140 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.089) USER MOD Single : A 143 ASN : amide:sc= 1.1 K(o=1.1,f=-0.28) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 178:sc= 0.924 USER MOD Single : A 153 ASN : amide:sc= 0.718 K(o=0.72,f=-1.3!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 TYR OH : rot 15:sc= 0 USER MOD Single : A 159 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 163 TYR OH : rot -104:sc= 1.24 USER MOD Single : A 168 GLN : amide:sc= -0.425 X(o=-0.43,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -0.235 K(o=-0.23,f=-3.7!) USER MOD Single : A 172 GLN : amide:sc= -0.183 X(o=-0.18,f=0.0016) USER MOD Single : A 173 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 174 ASN : amide:sc= -1.13 K(o=-1.1,f=-15!) USER MOD Single : A 183 THR OG1 : rot 82:sc= 1.38 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 THR OG1 : rot -85:sc= -0.326 USER MOD Single : A 192 THR OG1 : rot 73:sc= 0.247 USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 ASN :FLIP amide:sc= -0.0286 F(o=-0.74,f=-0.029) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 201 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 MET CE :methyl -153:sc= -0.0963 (180deg=-1.05) USER MOD Single : A 206 MET CE :methyl 166:sc= -0.319 (180deg=-0.885) USER MOD Single : A 212 GLN : amide:sc=-0.00337 K(o=-0.0034,f=-1.5!) USER MOD Single : A 213 MET CE :methyl 163:sc= -0.448 (180deg=-1.11) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 GLN : amide:sc= -2.23! C(o=-2.2!,f=-3.6!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 220 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 SER OG : rot 84:sc= 0.158 USER MOD Single : A 223 GLN :FLIP amide:sc= -0.297 F(o=-1.6,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 125 9.237 -13.939 -2.397 1.00 0.00 N ATOM 66 CA LEU A 125 9.201 -12.581 -2.916 1.00 0.00 C ATOM 67 C LEU A 125 10.634 -12.278 -3.335 1.00 0.00 C ATOM 68 O LEU A 125 11.568 -12.658 -2.630 1.00 0.00 O ATOM 69 CB LEU A 125 8.732 -11.568 -1.861 1.00 0.00 C ATOM 70 CG LEU A 125 7.210 -11.531 -1.622 1.00 0.00 C ATOM 71 CD1 LEU A 125 6.898 -11.141 -0.175 1.00 0.00 C ATOM 72 CD2 LEU A 125 6.534 -10.496 -2.523 1.00 0.00 C ATOM 0 HA LEU A 125 8.493 -12.500 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.227 -11.795 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.061 -10.574 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 125 6.834 -12.530 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.818 -11.121 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.343 -11.870 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.311 -10.154 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.461 -10.493 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.943 -9.508 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.716 -10.749 -3.568 1.00 0.00 H new ATOM 84 N GLY A 126 10.806 -11.558 -4.436 1.00 0.00 N ATOM 85 CA GLY A 126 12.070 -11.209 -5.056 1.00 0.00 C ATOM 86 C GLY A 126 12.713 -10.036 -4.342 1.00 0.00 C ATOM 87 O GLY A 126 12.795 -8.942 -4.901 1.00 0.00 O ATOM 0 H GLY A 126 10.011 -11.179 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 126 12.741 -12.067 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.909 -10.959 -6.105 1.00 0.00 H new ATOM 91 N GLY A 127 13.097 -10.272 -3.093 1.00 0.00 N ATOM 92 CA GLY A 127 13.957 -9.409 -2.283 1.00 0.00 C ATOM 93 C GLY A 127 13.203 -8.371 -1.456 1.00 0.00 C ATOM 94 O GLY A 127 13.828 -7.542 -0.794 1.00 0.00 O ATOM 0 H GLY A 127 12.804 -11.110 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.548 -10.032 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 127 14.658 -8.894 -2.940 1.00 0.00 H new ATOM 98 N TYR A 128 11.870 -8.402 -1.482 1.00 0.00 N ATOM 99 CA TYR A 128 11.026 -7.416 -0.827 1.00 0.00 C ATOM 100 C TYR A 128 11.189 -7.460 0.687 1.00 0.00 C ATOM 101 O TYR A 128 11.219 -8.540 1.281 1.00 0.00 O ATOM 102 CB TYR A 128 9.553 -7.662 -1.158 1.00 0.00 C ATOM 103 CG TYR A 128 9.181 -7.401 -2.596 1.00 0.00 C ATOM 104 CD1 TYR A 128 9.496 -8.354 -3.574 1.00 0.00 C ATOM 105 CD2 TYR A 128 8.493 -6.232 -2.955 1.00 0.00 C ATOM 106 CE1 TYR A 128 9.050 -8.203 -4.885 1.00 0.00 C ATOM 107 CE2 TYR A 128 8.075 -6.045 -4.285 1.00 0.00 C ATOM 108 CZ TYR A 128 8.340 -7.040 -5.253 1.00 0.00 C ATOM 109 OH TYR A 128 7.904 -6.883 -6.528 1.00 0.00 O ATOM 0 H TYR A 128 11.343 -9.127 -1.968 1.00 0.00 H new ATOM 0 HA TYR A 128 11.336 -6.438 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 128 9.307 -8.696 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.939 -7.029 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 128 10.091 -9.215 -3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.285 -5.477 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.247 -8.973 -5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 128 7.552 -5.143 -4.566 1.00 0.00 H new ATOM 0 HH TYR A 128 8.469 -6.228 -6.989 1.00 0.00 H new ATOM 119 N MET A 129 11.174 -6.282 1.297 1.00 0.00 N ATOM 120 CA MET A 129 10.937 -6.052 2.718 1.00 0.00 C ATOM 121 C MET A 129 9.496 -5.594 2.886 1.00 0.00 C ATOM 122 O MET A 129 8.822 -5.379 1.884 1.00 0.00 O ATOM 123 CB MET A 129 11.929 -5.003 3.259 1.00 0.00 C ATOM 124 CG MET A 129 13.421 -5.307 3.034 1.00 0.00 C ATOM 125 SD MET A 129 14.257 -6.461 4.155 1.00 0.00 S ATOM 126 CE MET A 129 13.223 -7.916 3.919 1.00 0.00 C ATOM 0 H MET A 129 11.336 -5.414 0.787 1.00 0.00 H new ATOM 0 HA MET A 129 11.094 -6.968 3.288 1.00 0.00 H new ATOM 0 HB2 MET A 129 11.700 -4.043 2.796 1.00 0.00 H new ATOM 0 HB3 MET A 129 11.759 -4.889 4.330 1.00 0.00 H new ATOM 0 HG2 MET A 129 13.530 -5.694 2.021 1.00 0.00 H new ATOM 0 HG3 MET A 129 13.960 -4.360 3.073 1.00 0.00 H new ATOM 0 HE1 MET A 129 13.781 -8.809 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 129 12.331 -7.833 4.540 1.00 0.00 H new ATOM 0 HE3 MET A 129 12.930 -7.988 2.872 1.00 0.00 H new ATOM 136 N LEU A 130 9.014 -5.460 4.120 1.00 0.00 N ATOM 137 CA LEU A 130 7.668 -5.015 4.454 1.00 0.00 C ATOM 138 C LEU A 130 7.769 -3.963 5.556 1.00 0.00 C ATOM 139 O LEU A 130 8.156 -4.264 6.692 1.00 0.00 O ATOM 140 CB LEU A 130 6.778 -6.221 4.801 1.00 0.00 C ATOM 141 CG LEU A 130 5.412 -5.819 5.409 1.00 0.00 C ATOM 142 CD1 LEU A 130 4.268 -5.989 4.408 1.00 0.00 C ATOM 143 CD2 LEU A 130 5.129 -6.642 6.665 1.00 0.00 C ATOM 0 H LEU A 130 9.575 -5.668 4.946 1.00 0.00 H new ATOM 0 HA LEU A 130 7.180 -4.540 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.608 -6.809 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.307 -6.863 5.505 1.00 0.00 H new ATOM 0 HG LEU A 130 5.471 -4.763 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.328 -5.696 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.451 -5.361 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.208 -7.032 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.166 -6.349 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.107 -7.701 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.913 -6.463 7.401 1.00 0.00 H new ATOM 155 N GLY A 131 7.425 -2.729 5.181 1.00 0.00 N ATOM 156 CA GLY A 131 7.499 -1.533 6.001 1.00 0.00 C ATOM 157 C GLY A 131 6.544 -1.579 7.187 1.00 0.00 C ATOM 158 O GLY A 131 5.786 -2.533 7.373 1.00 0.00 O ATOM 0 H GLY A 131 7.069 -2.534 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.519 -1.408 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 131 7.270 -0.661 5.388 1.00 0.00 H new ATOM 162 N SER A 132 6.617 -0.550 8.022 1.00 0.00 N ATOM 163 CA SER A 132 5.992 -0.534 9.326 1.00 0.00 C ATOM 164 C SER A 132 4.501 -0.297 9.261 1.00 0.00 C ATOM 165 O SER A 132 3.968 0.190 8.264 1.00 0.00 O ATOM 166 CB SER A 132 6.635 0.546 10.186 1.00 0.00 C ATOM 167 OG SER A 132 6.904 1.766 9.520 1.00 0.00 O ATOM 0 H SER A 132 7.122 0.308 7.802 1.00 0.00 H new ATOM 0 HA SER A 132 6.145 -1.520 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 132 5.981 0.750 11.034 1.00 0.00 H new ATOM 0 HB3 SER A 132 7.570 0.157 10.590 1.00 0.00 H new ATOM 0 HG SER A 132 7.313 2.398 10.147 1.00 0.00 H new ATOM 173 N ALA A 133 3.827 -0.636 10.361 1.00 0.00 N ATOM 174 CA ALA A 133 2.427 -0.335 10.579 1.00 0.00 C ATOM 175 C ALA A 133 2.243 1.184 10.519 1.00 0.00 C ATOM 176 O ALA A 133 2.685 1.901 11.426 1.00 0.00 O ATOM 177 CB ALA A 133 2.001 -0.935 11.917 1.00 0.00 C ATOM 0 H ALA A 133 4.257 -1.139 11.138 1.00 0.00 H new ATOM 0 HA ALA A 133 1.791 -0.773 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 133 0.948 -0.716 12.095 1.00 0.00 H new ATOM 0 HB2 ALA A 133 2.149 -2.015 11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 133 2.602 -0.503 12.717 1.00 0.00 H new ATOM 183 N MET A 134 1.660 1.670 9.424 1.00 0.00 N ATOM 184 CA MET A 134 1.458 3.104 9.198 1.00 0.00 C ATOM 185 C MET A 134 0.028 3.494 9.573 1.00 0.00 C ATOM 186 O MET A 134 -0.687 2.688 10.175 1.00 0.00 O ATOM 187 CB MET A 134 1.884 3.519 7.778 1.00 0.00 C ATOM 188 CG MET A 134 3.364 3.196 7.531 1.00 0.00 C ATOM 189 SD MET A 134 4.302 4.397 6.548 1.00 0.00 S ATOM 190 CE MET A 134 3.639 4.051 4.904 1.00 0.00 C ATOM 0 H MET A 134 1.313 1.081 8.667 1.00 0.00 H new ATOM 0 HA MET A 134 2.113 3.675 9.856 1.00 0.00 H new ATOM 0 HB2 MET A 134 1.268 3.001 7.044 1.00 0.00 H new ATOM 0 HB3 MET A 134 1.713 4.587 7.641 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.856 3.089 8.498 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.423 2.228 7.034 1.00 0.00 H new ATOM 0 HE1 MET A 134 4.388 4.295 4.151 1.00 0.00 H new ATOM 0 HE2 MET A 134 3.381 2.995 4.831 1.00 0.00 H new ATOM 0 HE3 MET A 134 2.747 4.655 4.737 1.00 0.00 H new ATOM 200 N SER A 135 -0.402 4.721 9.268 1.00 0.00 N ATOM 201 CA SER A 135 -1.807 5.113 9.369 1.00 0.00 C ATOM 202 C SER A 135 -2.376 5.333 7.973 1.00 0.00 C ATOM 203 O SER A 135 -1.666 5.196 6.970 1.00 0.00 O ATOM 204 CB SER A 135 -1.980 6.320 10.299 1.00 0.00 C ATOM 205 OG SER A 135 -3.336 6.423 10.691 1.00 0.00 O ATOM 0 H SER A 135 0.213 5.468 8.945 1.00 0.00 H new ATOM 0 HA SER A 135 -2.382 4.309 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 135 -1.344 6.210 11.177 1.00 0.00 H new ATOM 0 HB3 SER A 135 -1.667 7.232 9.791 1.00 0.00 H new ATOM 0 HG SER A 135 -3.447 7.193 11.287 1.00 0.00 H new ATOM 211 N ARG A 136 -3.686 5.547 7.900 1.00 0.00 N ATOM 212 CA ARG A 136 -4.431 5.619 6.652 1.00 0.00 C ATOM 213 C ARG A 136 -4.391 7.060 6.125 1.00 0.00 C ATOM 214 O ARG A 136 -4.817 7.970 6.842 1.00 0.00 O ATOM 215 CB ARG A 136 -5.854 5.065 6.832 1.00 0.00 C ATOM 216 CG ARG A 136 -6.684 5.780 7.908 1.00 0.00 C ATOM 217 CD ARG A 136 -7.640 4.866 8.677 1.00 0.00 C ATOM 218 NE ARG A 136 -6.973 3.811 9.444 1.00 0.00 N ATOM 219 CZ ARG A 136 -7.522 3.149 10.465 1.00 0.00 C ATOM 220 NH1 ARG A 136 -8.740 3.434 10.924 1.00 0.00 N ATOM 221 NH2 ARG A 136 -6.834 2.185 11.063 1.00 0.00 N ATOM 0 H ARG A 136 -4.270 5.678 8.726 1.00 0.00 H new ATOM 0 HA ARG A 136 -3.967 4.985 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -6.380 5.134 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -5.789 4.007 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -6.006 6.256 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -7.261 6.575 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -8.237 5.473 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -8.331 4.405 7.971 1.00 0.00 H new ATOM 0 HE ARG A 136 -6.020 3.564 9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -9.286 4.180 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -9.127 2.906 11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.894 1.955 10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -7.245 1.674 11.844 1.00 0.00 H new ATOM 235 N PRO A 137 -3.874 7.298 4.909 1.00 0.00 N ATOM 236 CA PRO A 137 -3.912 8.615 4.287 1.00 0.00 C ATOM 237 C PRO A 137 -5.359 9.070 4.048 1.00 0.00 C ATOM 238 O PRO A 137 -6.316 8.315 4.250 1.00 0.00 O ATOM 239 CB PRO A 137 -3.069 8.496 3.008 1.00 0.00 C ATOM 240 CG PRO A 137 -2.988 7.000 2.715 1.00 0.00 C ATOM 241 CD PRO A 137 -3.213 6.325 4.058 1.00 0.00 C ATOM 0 HA PRO A 137 -3.494 9.394 4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -3.532 9.034 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -2.076 8.923 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -3.744 6.698 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -2.018 6.732 2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -3.826 5.431 3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -2.266 6.008 4.495 1.00 0.00 H new ATOM 249 N MET A 138 -5.534 10.314 3.611 1.00 0.00 N ATOM 250 CA MET A 138 -6.830 10.907 3.309 1.00 0.00 C ATOM 251 C MET A 138 -6.932 11.074 1.796 1.00 0.00 C ATOM 252 O MET A 138 -5.972 11.519 1.160 1.00 0.00 O ATOM 253 CB MET A 138 -6.987 12.223 4.095 1.00 0.00 C ATOM 254 CG MET A 138 -7.550 11.985 5.503 1.00 0.00 C ATOM 255 SD MET A 138 -9.368 11.961 5.706 1.00 0.00 S ATOM 256 CE MET A 138 -9.909 10.609 4.630 1.00 0.00 C ATOM 0 H MET A 138 -4.755 10.954 3.453 1.00 0.00 H new ATOM 0 HA MET A 138 -7.656 10.269 3.623 1.00 0.00 H new ATOM 0 HB2 MET A 138 -6.019 12.719 4.170 1.00 0.00 H new ATOM 0 HB3 MET A 138 -7.648 12.896 3.549 1.00 0.00 H new ATOM 0 HG2 MET A 138 -7.161 11.032 5.862 1.00 0.00 H new ATOM 0 HG3 MET A 138 -7.151 12.759 6.158 1.00 0.00 H new ATOM 0 HE1 MET A 138 -10.975 10.432 4.776 1.00 0.00 H new ATOM 0 HE2 MET A 138 -9.725 10.876 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 138 -9.354 9.704 4.876 1.00 0.00 H new ATOM 266 N ILE A 139 -8.052 10.637 1.205 1.00 0.00 N ATOM 267 CA ILE A 139 -8.247 10.579 -0.242 1.00 0.00 C ATOM 268 C ILE A 139 -9.667 11.052 -0.545 1.00 0.00 C ATOM 269 O ILE A 139 -10.645 10.388 -0.186 1.00 0.00 O ATOM 270 CB ILE A 139 -7.975 9.164 -0.815 1.00 0.00 C ATOM 271 CG1 ILE A 139 -6.782 8.486 -0.100 1.00 0.00 C ATOM 272 CG2 ILE A 139 -7.781 9.263 -2.346 1.00 0.00 C ATOM 273 CD1 ILE A 139 -6.207 7.294 -0.843 1.00 0.00 C ATOM 0 H ILE A 139 -8.861 10.309 1.733 1.00 0.00 H new ATOM 0 HA ILE A 139 -7.526 11.233 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 139 -8.835 8.522 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -5.993 9.224 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -7.103 8.162 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -7.589 8.270 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -8.682 9.674 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -6.935 9.914 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -5.376 6.877 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -6.979 6.535 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -5.853 7.613 -1.823 1.00 0.00 H new ATOM 285 N HIS A 140 -9.773 12.205 -1.202 1.00 0.00 N ATOM 286 CA HIS A 140 -11.035 12.840 -1.567 1.00 0.00 C ATOM 287 C HIS A 140 -11.231 12.784 -3.079 1.00 0.00 C ATOM 288 O HIS A 140 -10.894 13.698 -3.832 1.00 0.00 O ATOM 289 CB HIS A 140 -11.219 14.222 -0.920 1.00 0.00 C ATOM 290 CG HIS A 140 -10.447 15.413 -1.420 1.00 0.00 C ATOM 291 ND1 HIS A 140 -10.824 16.716 -1.194 1.00 0.00 N ATOM 292 CD2 HIS A 140 -9.235 15.433 -2.052 1.00 0.00 C ATOM 293 CE1 HIS A 140 -9.864 17.516 -1.682 1.00 0.00 C ATOM 294 NE2 HIS A 140 -8.875 16.778 -2.215 1.00 0.00 N ATOM 0 H HIS A 140 -8.958 12.738 -1.504 1.00 0.00 H new ATOM 0 HA HIS A 140 -11.859 12.269 -1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -12.277 14.472 -0.993 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -10.990 14.113 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -8.662 14.573 -2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -9.883 18.595 -1.651 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -8.024 17.130 -2.654 1.00 0.00 H new ATOM 302 N PHE A 141 -11.724 11.637 -3.534 1.00 0.00 N ATOM 303 CA PHE A 141 -11.816 11.263 -4.938 1.00 0.00 C ATOM 304 C PHE A 141 -12.643 12.252 -5.758 1.00 0.00 C ATOM 305 O PHE A 141 -12.274 12.626 -6.872 1.00 0.00 O ATOM 306 CB PHE A 141 -12.498 9.907 -5.041 1.00 0.00 C ATOM 307 CG PHE A 141 -11.716 8.721 -4.538 1.00 0.00 C ATOM 308 CD1 PHE A 141 -11.523 8.502 -3.160 1.00 0.00 C ATOM 309 CD2 PHE A 141 -11.222 7.804 -5.479 1.00 0.00 C ATOM 310 CE1 PHE A 141 -10.751 7.412 -2.729 1.00 0.00 C ATOM 311 CE2 PHE A 141 -10.459 6.706 -5.045 1.00 0.00 C ATOM 312 CZ PHE A 141 -10.204 6.526 -3.673 1.00 0.00 C ATOM 0 H PHE A 141 -12.084 10.915 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.800 11.249 -5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -13.437 9.955 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -12.750 9.731 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -11.968 9.171 -2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -11.427 7.941 -6.530 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -10.578 7.254 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -10.069 6.001 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 141 -9.586 5.704 -3.344 1.00 0.00 H new ATOM 322 N GLY A 142 -13.816 12.605 -5.245 1.00 0.00 N ATOM 323 CA GLY A 142 -14.709 13.627 -5.755 1.00 0.00 C ATOM 324 C GLY A 142 -16.131 13.165 -5.489 1.00 0.00 C ATOM 325 O GLY A 142 -16.941 13.918 -4.944 1.00 0.00 O ATOM 0 H GLY A 142 -14.188 12.154 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -14.518 14.582 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -14.548 13.778 -6.822 1.00 0.00 H new ATOM 329 N ASN A 143 -16.417 11.896 -5.806 1.00 0.00 N ATOM 330 CA ASN A 143 -17.735 11.324 -5.621 1.00 0.00 C ATOM 331 C ASN A 143 -17.968 11.089 -4.149 1.00 0.00 C ATOM 332 O ASN A 143 -17.099 10.521 -3.482 1.00 0.00 O ATOM 333 CB ASN A 143 -17.873 9.965 -6.304 1.00 0.00 C ATOM 334 CG ASN A 143 -17.589 10.030 -7.782 1.00 0.00 C ATOM 335 OD1 ASN A 143 -18.479 10.309 -8.575 1.00 0.00 O ATOM 336 ND2 ASN A 143 -16.341 9.810 -8.147 1.00 0.00 N ATOM 0 H ASN A 143 -15.735 11.246 -6.197 1.00 0.00 H new ATOM 0 HA ASN A 143 -18.451 12.024 -6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -17.189 9.256 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -18.882 9.584 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -16.079 9.869 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -15.637 9.581 -7.445 1.00 0.00 H new ATOM 343 N ASP A 144 -19.180 11.393 -3.697 1.00 0.00 N ATOM 344 CA ASP A 144 -19.623 11.061 -2.351 1.00 0.00 C ATOM 345 C ASP A 144 -19.526 9.554 -2.125 1.00 0.00 C ATOM 346 O ASP A 144 -19.144 9.127 -1.041 1.00 0.00 O ATOM 347 CB ASP A 144 -21.067 11.537 -2.121 1.00 0.00 C ATOM 348 CG ASP A 144 -21.220 12.251 -0.780 1.00 0.00 C ATOM 349 OD1 ASP A 144 -20.857 11.686 0.275 1.00 0.00 O ATOM 350 OD2 ASP A 144 -21.686 13.413 -0.792 1.00 0.00 O ATOM 0 H ASP A 144 -19.883 11.877 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 144 -18.974 11.571 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -21.361 12.209 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -21.742 10.682 -2.157 1.00 0.00 H new ATOM 355 N TRP A 145 -19.832 8.741 -3.150 1.00 0.00 N ATOM 356 CA TRP A 145 -19.846 7.292 -3.002 1.00 0.00 C ATOM 357 C TRP A 145 -18.446 6.733 -2.780 1.00 0.00 C ATOM 358 O TRP A 145 -18.298 5.808 -1.981 1.00 0.00 O ATOM 359 CB TRP A 145 -20.539 6.595 -4.183 1.00 0.00 C ATOM 360 CG TRP A 145 -19.915 6.690 -5.542 1.00 0.00 C ATOM 361 CD1 TRP A 145 -20.327 7.525 -6.517 1.00 0.00 C ATOM 362 CD2 TRP A 145 -18.851 5.883 -6.140 1.00 0.00 C ATOM 363 NE1 TRP A 145 -19.562 7.332 -7.647 1.00 0.00 N ATOM 364 CE2 TRP A 145 -18.618 6.353 -7.466 1.00 0.00 C ATOM 365 CE3 TRP A 145 -18.071 4.785 -5.711 1.00 0.00 C ATOM 366 CZ2 TRP A 145 -17.612 5.833 -8.292 1.00 0.00 C ATOM 367 CZ3 TRP A 145 -17.123 4.188 -6.566 1.00 0.00 C ATOM 368 CH2 TRP A 145 -16.868 4.730 -7.840 1.00 0.00 C ATOM 0 H TRP A 145 -20.071 9.070 -4.085 1.00 0.00 H new ATOM 0 HA TRP A 145 -20.434 7.077 -2.110 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -20.631 5.538 -3.935 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -21.551 6.995 -4.255 1.00 0.00 H new ATOM 0 HD1 TRP A 145 -21.134 8.237 -6.426 1.00 0.00 H new ATOM 0 HE1 TRP A 145 -19.683 7.855 -8.514 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -18.204 4.397 -4.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 -17.412 6.272 -9.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -16.588 3.308 -6.241 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -16.103 4.299 -8.468 1.00 0.00 H new ATOM 379 N GLU A 146 -17.441 7.267 -3.480 1.00 0.00 N ATOM 380 CA GLU A 146 -16.056 6.851 -3.308 1.00 0.00 C ATOM 381 C GLU A 146 -15.589 7.255 -1.919 1.00 0.00 C ATOM 382 O GLU A 146 -15.131 6.415 -1.151 1.00 0.00 O ATOM 383 CB GLU A 146 -15.141 7.480 -4.373 1.00 0.00 C ATOM 384 CG GLU A 146 -15.337 6.810 -5.731 1.00 0.00 C ATOM 385 CD GLU A 146 -14.360 7.286 -6.802 1.00 0.00 C ATOM 386 OE1 GLU A 146 -14.333 8.507 -7.049 1.00 0.00 O ATOM 387 OE2 GLU A 146 -13.681 6.455 -7.453 1.00 0.00 O ATOM 0 H GLU A 146 -17.570 7.998 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 146 -16.001 5.769 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -15.353 8.546 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -14.100 7.386 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -15.233 5.732 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -16.355 6.996 -6.073 1.00 0.00 H new ATOM 394 N ASP A 147 -15.737 8.539 -1.594 1.00 0.00 N ATOM 395 CA ASP A 147 -15.261 9.121 -0.346 1.00 0.00 C ATOM 396 C ASP A 147 -15.889 8.416 0.860 1.00 0.00 C ATOM 397 O ASP A 147 -15.191 8.026 1.795 1.00 0.00 O ATOM 398 CB ASP A 147 -15.586 10.617 -0.342 1.00 0.00 C ATOM 399 CG ASP A 147 -14.679 11.381 0.610 1.00 0.00 C ATOM 400 OD1 ASP A 147 -14.612 11.044 1.812 1.00 0.00 O ATOM 401 OD2 ASP A 147 -13.997 12.325 0.157 1.00 0.00 O ATOM 0 H ASP A 147 -16.200 9.213 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 147 -14.182 8.987 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -15.477 11.017 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -16.626 10.764 -0.052 1.00 0.00 H new ATOM 406 N ARG A 148 -17.205 8.179 0.807 1.00 0.00 N ATOM 407 CA ARG A 148 -17.944 7.408 1.798 1.00 0.00 C ATOM 408 C ARG A 148 -17.359 6.010 1.914 1.00 0.00 C ATOM 409 O ARG A 148 -17.066 5.582 3.022 1.00 0.00 O ATOM 410 CB ARG A 148 -19.428 7.351 1.389 1.00 0.00 C ATOM 411 CG ARG A 148 -20.272 6.455 2.299 1.00 0.00 C ATOM 412 CD ARG A 148 -21.707 6.361 1.774 1.00 0.00 C ATOM 413 NE ARG A 148 -22.426 5.259 2.425 1.00 0.00 N ATOM 414 CZ ARG A 148 -23.708 4.917 2.276 1.00 0.00 C ATOM 415 NH1 ARG A 148 -24.507 5.551 1.421 1.00 0.00 N ATOM 416 NH2 ARG A 148 -24.168 3.911 3.002 1.00 0.00 N ATOM 0 H ARG A 148 -17.795 8.530 0.052 1.00 0.00 H new ATOM 0 HA ARG A 148 -17.864 7.888 2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -19.840 8.360 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -19.502 6.988 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -19.831 5.460 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -20.274 6.855 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -22.229 7.300 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -21.696 6.207 0.695 1.00 0.00 H new ATOM 0 HE ARG A 148 -21.881 4.686 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -24.144 6.320 0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -25.482 5.268 1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -23.548 3.424 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -25.142 3.622 2.914 1.00 0.00 H new ATOM 430 N TYR A 149 -17.275 5.269 0.810 1.00 0.00 N ATOM 431 CA TYR A 149 -16.889 3.865 0.849 1.00 0.00 C ATOM 432 C TYR A 149 -15.468 3.717 1.390 1.00 0.00 C ATOM 433 O TYR A 149 -15.236 2.833 2.215 1.00 0.00 O ATOM 434 CB TYR A 149 -17.049 3.259 -0.552 1.00 0.00 C ATOM 435 CG TYR A 149 -16.773 1.772 -0.629 1.00 0.00 C ATOM 436 CD1 TYR A 149 -17.749 0.854 -0.202 1.00 0.00 C ATOM 437 CD2 TYR A 149 -15.539 1.307 -1.117 1.00 0.00 C ATOM 438 CE1 TYR A 149 -17.481 -0.525 -0.229 1.00 0.00 C ATOM 439 CE2 TYR A 149 -15.269 -0.071 -1.162 1.00 0.00 C ATOM 440 CZ TYR A 149 -16.235 -0.992 -0.702 1.00 0.00 C ATOM 441 OH TYR A 149 -15.966 -2.322 -0.719 1.00 0.00 O ATOM 0 H TYR A 149 -17.471 5.623 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 149 -17.541 3.316 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -18.065 3.446 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -16.377 3.776 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -18.707 1.210 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -14.796 2.012 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -18.227 -1.227 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -14.324 -0.425 -1.548 1.00 0.00 H new ATOM 0 HH TYR A 149 -15.065 -2.469 -1.076 1.00 0.00 H new ATOM 451 N TYR A 150 -14.558 4.620 1.007 1.00 0.00 N ATOM 452 CA TYR A 150 -13.242 4.755 1.611 1.00 0.00 C ATOM 453 C TYR A 150 -13.395 4.933 3.125 1.00 0.00 C ATOM 454 O TYR A 150 -12.920 4.100 3.898 1.00 0.00 O ATOM 455 CB TYR A 150 -12.478 5.919 0.953 1.00 0.00 C ATOM 456 CG TYR A 150 -11.054 6.059 1.452 1.00 0.00 C ATOM 457 CD1 TYR A 150 -10.046 5.238 0.915 1.00 0.00 C ATOM 458 CD2 TYR A 150 -10.737 6.979 2.471 1.00 0.00 C ATOM 459 CE1 TYR A 150 -8.741 5.291 1.432 1.00 0.00 C ATOM 460 CE2 TYR A 150 -9.430 7.047 2.985 1.00 0.00 C ATOM 461 CZ TYR A 150 -8.436 6.180 2.483 1.00 0.00 C ATOM 462 OH TYR A 150 -7.186 6.188 3.006 1.00 0.00 O ATOM 0 H TYR A 150 -14.726 5.287 0.254 1.00 0.00 H new ATOM 0 HA TYR A 150 -12.653 3.853 1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -12.464 5.771 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -13.015 6.849 1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -10.276 4.565 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -11.502 7.635 2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -7.972 4.651 1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -9.188 7.759 3.760 1.00 0.00 H new ATOM 0 HH TYR A 150 -7.126 6.878 3.699 1.00 0.00 H new ATOM 472 N ARG A 151 -14.107 5.976 3.573 1.00 0.00 N ATOM 473 CA ARG A 151 -14.281 6.262 5.000 1.00 0.00 C ATOM 474 C ARG A 151 -14.994 5.150 5.772 1.00 0.00 C ATOM 475 O ARG A 151 -14.837 5.096 6.992 1.00 0.00 O ATOM 476 CB ARG A 151 -14.996 7.613 5.192 1.00 0.00 C ATOM 477 CG ARG A 151 -14.095 8.804 4.827 1.00 0.00 C ATOM 478 CD ARG A 151 -14.843 10.132 4.970 1.00 0.00 C ATOM 479 NE ARG A 151 -13.994 11.266 4.565 1.00 0.00 N ATOM 480 CZ ARG A 151 -13.284 12.109 5.328 1.00 0.00 C ATOM 481 NH1 ARG A 151 -13.363 12.069 6.659 1.00 0.00 N ATOM 482 NH2 ARG A 151 -12.477 12.984 4.747 1.00 0.00 N ATOM 0 H ARG A 151 -14.576 6.641 2.958 1.00 0.00 H new ATOM 0 HA ARG A 151 -13.279 6.318 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -15.895 7.637 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -15.318 7.708 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -13.216 8.808 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -13.739 8.693 3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -15.745 10.112 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -15.162 10.264 6.004 1.00 0.00 H new ATOM 0 HE ARG A 151 -13.939 11.434 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -13.972 11.388 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -12.815 12.719 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -12.401 13.011 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -11.931 13.631 5.316 1.00 0.00 H new ATOM 496 N GLU A 152 -15.731 4.262 5.113 1.00 0.00 N ATOM 497 CA GLU A 152 -16.443 3.131 5.701 1.00 0.00 C ATOM 498 C GLU A 152 -15.593 1.861 5.756 1.00 0.00 C ATOM 499 O GLU A 152 -15.948 0.963 6.517 1.00 0.00 O ATOM 500 CB GLU A 152 -17.725 2.880 4.898 1.00 0.00 C ATOM 501 CG GLU A 152 -18.815 3.931 5.167 1.00 0.00 C ATOM 502 CD GLU A 152 -19.774 3.523 6.290 1.00 0.00 C ATOM 503 OE1 GLU A 152 -20.506 2.515 6.115 1.00 0.00 O ATOM 504 OE2 GLU A 152 -19.824 4.232 7.321 1.00 0.00 O ATOM 0 H GLU A 152 -15.855 4.314 4.102 1.00 0.00 H new ATOM 0 HA GLU A 152 -16.683 3.386 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -17.486 2.875 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -18.113 1.891 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -18.343 4.879 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -19.385 4.098 4.253 1.00 0.00 H new ATOM 511 N ASN A 153 -14.489 1.773 5.001 1.00 0.00 N ATOM 512 CA ASN A 153 -13.677 0.553 4.887 1.00 0.00 C ATOM 513 C ASN A 153 -12.206 0.803 5.228 1.00 0.00 C ATOM 514 O ASN A 153 -11.405 -0.130 5.178 1.00 0.00 O ATOM 515 CB ASN A 153 -13.825 -0.094 3.495 1.00 0.00 C ATOM 516 CG ASN A 153 -15.212 -0.687 3.288 1.00 0.00 C ATOM 517 OD1 ASN A 153 -15.441 -1.883 3.464 1.00 0.00 O ATOM 518 ND2 ASN A 153 -16.172 0.141 2.916 1.00 0.00 N ATOM 0 H ASN A 153 -14.132 2.552 4.448 1.00 0.00 H new ATOM 0 HA ASN A 153 -14.061 -0.151 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -13.631 0.653 2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -13.075 -0.876 3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -17.119 -0.209 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -15.966 1.130 2.774 1.00 0.00 H new ATOM 525 N MET A 154 -11.829 2.024 5.627 1.00 0.00 N ATOM 526 CA MET A 154 -10.443 2.427 5.878 1.00 0.00 C ATOM 527 C MET A 154 -9.732 1.653 7.005 1.00 0.00 C ATOM 528 O MET A 154 -8.542 1.864 7.224 1.00 0.00 O ATOM 529 CB MET A 154 -10.344 3.954 6.068 1.00 0.00 C ATOM 530 CG MET A 154 -11.039 4.481 7.334 1.00 0.00 C ATOM 531 SD MET A 154 -10.500 6.128 7.892 1.00 0.00 S ATOM 532 CE MET A 154 -11.074 7.225 6.583 1.00 0.00 C ATOM 0 H MET A 154 -12.498 2.777 5.788 1.00 0.00 H new ATOM 0 HA MET A 154 -9.891 2.147 4.981 1.00 0.00 H new ATOM 0 HB2 MET A 154 -9.292 4.237 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 154 -10.779 4.445 5.198 1.00 0.00 H new ATOM 0 HG2 MET A 154 -12.113 4.511 7.152 1.00 0.00 H new ATOM 0 HG3 MET A 154 -10.872 3.769 8.143 1.00 0.00 H new ATOM 0 HE1 MET A 154 -10.367 8.045 6.459 1.00 0.00 H new ATOM 0 HE2 MET A 154 -11.151 6.668 5.649 1.00 0.00 H new ATOM 0 HE3 MET A 154 -12.052 7.627 6.848 1.00 0.00 H new ATOM 542 N TYR A 155 -10.423 0.755 7.714 1.00 0.00 N ATOM 543 CA TYR A 155 -9.852 -0.143 8.715 1.00 0.00 C ATOM 544 C TYR A 155 -9.655 -1.580 8.190 1.00 0.00 C ATOM 545 O TYR A 155 -9.041 -2.402 8.878 1.00 0.00 O ATOM 546 CB TYR A 155 -10.756 -0.133 9.956 1.00 0.00 C ATOM 547 CG TYR A 155 -12.084 -0.843 9.753 1.00 0.00 C ATOM 548 CD1 TYR A 155 -13.162 -0.159 9.163 1.00 0.00 C ATOM 549 CD2 TYR A 155 -12.226 -2.201 10.097 1.00 0.00 C ATOM 550 CE1 TYR A 155 -14.369 -0.825 8.888 1.00 0.00 C ATOM 551 CE2 TYR A 155 -13.424 -2.882 9.817 1.00 0.00 C ATOM 552 CZ TYR A 155 -14.499 -2.198 9.202 1.00 0.00 C ATOM 553 OH TYR A 155 -15.650 -2.863 8.910 1.00 0.00 O ATOM 0 H TYR A 155 -11.429 0.631 7.601 1.00 0.00 H new ATOM 0 HA TYR A 155 -8.856 0.220 8.969 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -10.226 -0.604 10.784 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -10.948 0.900 10.246 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -13.061 0.888 8.919 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -11.411 -2.722 10.578 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -15.193 -0.291 8.439 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -13.523 -3.927 10.071 1.00 0.00 H new ATOM 0 HH TYR A 155 -15.568 -3.798 9.192 1.00 0.00 H new ATOM 563 N ARG A 156 -10.188 -1.918 7.008 1.00 0.00 N ATOM 564 CA ARG A 156 -10.026 -3.232 6.379 1.00 0.00 C ATOM 565 C ARG A 156 -8.779 -3.270 5.492 1.00 0.00 C ATOM 566 O ARG A 156 -8.235 -4.355 5.271 1.00 0.00 O ATOM 567 CB ARG A 156 -11.279 -3.604 5.558 1.00 0.00 C ATOM 568 CG ARG A 156 -12.529 -3.802 6.431 1.00 0.00 C ATOM 569 CD ARG A 156 -13.758 -4.284 5.645 1.00 0.00 C ATOM 570 NE ARG A 156 -13.688 -5.714 5.272 1.00 0.00 N ATOM 571 CZ ARG A 156 -14.708 -6.481 4.852 1.00 0.00 C ATOM 572 NH1 ARG A 156 -15.969 -6.063 4.901 1.00 0.00 N ATOM 573 NH2 ARG A 156 -14.471 -7.689 4.368 1.00 0.00 N ATOM 0 H ARG A 156 -10.753 -1.274 6.454 1.00 0.00 H new ATOM 0 HA ARG A 156 -9.901 -3.967 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -11.474 -2.820 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -11.083 -4.520 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -12.303 -4.525 7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -12.770 -2.861 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -14.653 -4.115 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -13.861 -3.684 4.741 1.00 0.00 H new ATOM 0 HE ARG A 156 -12.774 -6.162 5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -16.185 -5.135 5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -16.721 -6.670 4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -13.514 -8.038 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -15.245 -8.272 4.049 1.00 0.00 H new ATOM 587 N TYR A 157 -8.330 -2.124 4.980 1.00 0.00 N ATOM 588 CA TYR A 157 -7.107 -2.005 4.194 1.00 0.00 C ATOM 589 C TYR A 157 -5.879 -2.332 5.064 1.00 0.00 C ATOM 590 O TYR A 157 -5.964 -2.230 6.293 1.00 0.00 O ATOM 591 CB TYR A 157 -7.022 -0.571 3.637 1.00 0.00 C ATOM 592 CG TYR A 157 -8.241 -0.058 2.882 1.00 0.00 C ATOM 593 CD1 TYR A 157 -9.051 -0.926 2.121 1.00 0.00 C ATOM 594 CD2 TYR A 157 -8.570 1.310 2.954 1.00 0.00 C ATOM 595 CE1 TYR A 157 -10.218 -0.450 1.502 1.00 0.00 C ATOM 596 CE2 TYR A 157 -9.731 1.796 2.323 1.00 0.00 C ATOM 597 CZ TYR A 157 -10.569 0.912 1.610 1.00 0.00 C ATOM 598 OH TYR A 157 -11.711 1.370 1.031 1.00 0.00 O ATOM 0 H TYR A 157 -8.817 -1.237 5.104 1.00 0.00 H new ATOM 0 HA TYR A 157 -7.123 -2.715 3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -6.827 0.106 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -6.161 -0.515 2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -8.772 -1.964 2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -7.929 1.989 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -10.847 -1.127 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -9.980 2.845 2.385 1.00 0.00 H new ATOM 0 HH TYR A 157 -12.284 0.611 0.792 1.00 0.00 H new ATOM 608 N PRO A 158 -4.726 -2.687 4.463 1.00 0.00 N ATOM 609 CA PRO A 158 -3.472 -2.826 5.195 1.00 0.00 C ATOM 610 C PRO A 158 -2.974 -1.452 5.648 1.00 0.00 C ATOM 611 O PRO A 158 -3.479 -0.422 5.202 1.00 0.00 O ATOM 612 CB PRO A 158 -2.483 -3.476 4.218 1.00 0.00 C ATOM 613 CG PRO A 158 -3.004 -3.074 2.841 1.00 0.00 C ATOM 614 CD PRO A 158 -4.509 -2.887 3.038 1.00 0.00 C ATOM 0 HA PRO A 158 -3.589 -3.433 6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -1.467 -3.116 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -2.460 -4.559 4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.533 -2.155 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.794 -3.843 2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -4.870 -2.031 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -5.057 -3.760 2.683 1.00 0.00 H new ATOM 622 N ASN A 159 -1.929 -1.441 6.475 1.00 0.00 N ATOM 623 CA ASN A 159 -1.127 -0.266 6.822 1.00 0.00 C ATOM 624 C ASN A 159 0.351 -0.501 6.536 1.00 0.00 C ATOM 625 O ASN A 159 1.125 0.446 6.647 1.00 0.00 O ATOM 626 CB ASN A 159 -1.254 0.175 8.292 1.00 0.00 C ATOM 627 CG ASN A 159 -2.309 -0.527 9.107 1.00 0.00 C ATOM 628 OD1 ASN A 159 -3.440 -0.068 9.223 1.00 0.00 O ATOM 629 ND2 ASN A 159 -1.951 -1.632 9.733 1.00 0.00 N ATOM 0 H ASN A 159 -1.603 -2.287 6.942 1.00 0.00 H new ATOM 0 HA ASN A 159 -1.530 0.529 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -0.290 0.027 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -1.461 1.245 8.312 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -2.620 -2.121 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -1.005 -1.997 9.623 1.00 0.00 H new ATOM 636 N GLN A 160 0.763 -1.731 6.230 1.00 0.00 N ATOM 637 CA GLN A 160 2.142 -2.081 5.924 1.00 0.00 C ATOM 638 C GLN A 160 2.242 -2.351 4.435 1.00 0.00 C ATOM 639 O GLN A 160 1.286 -2.870 3.846 1.00 0.00 O ATOM 640 CB GLN A 160 2.556 -3.321 6.727 1.00 0.00 C ATOM 641 CG GLN A 160 2.547 -2.986 8.213 1.00 0.00 C ATOM 642 CD GLN A 160 3.103 -4.054 9.141 1.00 0.00 C ATOM 643 OE1 GLN A 160 2.363 -4.645 9.918 1.00 0.00 O ATOM 644 NE2 GLN A 160 4.410 -4.232 9.162 1.00 0.00 N ATOM 0 H GLN A 160 0.128 -2.528 6.188 1.00 0.00 H new ATOM 0 HA GLN A 160 2.812 -1.265 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 160 1.871 -4.145 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 160 3.550 -3.650 6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.119 -2.070 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 160 1.520 -2.773 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 160 5.004 -3.728 8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 160 4.826 -4.874 9.836 1.00 0.00 H new ATOM 653 N VAL A 161 3.385 -2.031 3.832 1.00 0.00 N ATOM 654 CA VAL A 161 3.562 -2.179 2.392 1.00 0.00 C ATOM 655 C VAL A 161 4.893 -2.859 2.101 1.00 0.00 C ATOM 656 O VAL A 161 5.903 -2.556 2.747 1.00 0.00 O ATOM 657 CB VAL A 161 3.409 -0.811 1.696 1.00 0.00 C ATOM 658 CG1 VAL A 161 2.012 -0.217 1.913 1.00 0.00 C ATOM 659 CG2 VAL A 161 4.431 0.252 2.132 1.00 0.00 C ATOM 0 H VAL A 161 4.203 -1.667 4.321 1.00 0.00 H new ATOM 0 HA VAL A 161 2.785 -2.823 1.982 1.00 0.00 H new ATOM 0 HB VAL A 161 3.585 -1.041 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 161 1.944 0.746 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 161 1.261 -0.894 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 161 1.837 -0.080 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 161 4.245 1.179 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 161 4.334 0.432 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 161 5.439 -0.101 1.913 1.00 0.00 H new ATOM 669 N TYR A 162 4.890 -3.810 1.166 1.00 0.00 N ATOM 670 CA TYR A 162 6.119 -4.431 0.706 1.00 0.00 C ATOM 671 C TYR A 162 6.918 -3.486 -0.176 1.00 0.00 C ATOM 672 O TYR A 162 6.322 -2.721 -0.926 1.00 0.00 O ATOM 673 CB TYR A 162 5.796 -5.679 -0.100 1.00 0.00 C ATOM 674 CG TYR A 162 5.410 -6.847 0.763 1.00 0.00 C ATOM 675 CD1 TYR A 162 6.417 -7.642 1.334 1.00 0.00 C ATOM 676 CD2 TYR A 162 4.058 -7.139 0.992 1.00 0.00 C ATOM 677 CE1 TYR A 162 6.077 -8.760 2.107 1.00 0.00 C ATOM 678 CE2 TYR A 162 3.714 -8.291 1.713 1.00 0.00 C ATOM 679 CZ TYR A 162 4.722 -9.120 2.266 1.00 0.00 C ATOM 680 OH TYR A 162 4.413 -10.266 2.934 1.00 0.00 O ATOM 0 H TYR A 162 4.046 -4.163 0.716 1.00 0.00 H new ATOM 0 HA TYR A 162 6.710 -4.685 1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 162 4.982 -5.459 -0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 162 6.662 -5.950 -0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 162 7.456 -7.391 1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 162 3.288 -6.482 0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 162 6.851 -9.346 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 162 2.674 -8.549 1.848 1.00 0.00 H new ATOM 0 HH TYR A 162 3.761 -10.781 2.415 1.00 0.00 H new ATOM 690 N TYR A 163 8.248 -3.606 -0.188 1.00 0.00 N ATOM 691 CA TYR A 163 9.073 -2.872 -1.133 1.00 0.00 C ATOM 692 C TYR A 163 10.375 -3.619 -1.391 1.00 0.00 C ATOM 693 O TYR A 163 11.020 -4.099 -0.456 1.00 0.00 O ATOM 694 CB TYR A 163 9.349 -1.464 -0.595 1.00 0.00 C ATOM 695 CG TYR A 163 10.103 -1.399 0.718 1.00 0.00 C ATOM 696 CD1 TYR A 163 9.429 -1.604 1.936 1.00 0.00 C ATOM 697 CD2 TYR A 163 11.478 -1.103 0.712 1.00 0.00 C ATOM 698 CE1 TYR A 163 10.131 -1.523 3.151 1.00 0.00 C ATOM 699 CE2 TYR A 163 12.181 -0.989 1.929 1.00 0.00 C ATOM 700 CZ TYR A 163 11.504 -1.202 3.155 1.00 0.00 C ATOM 701 OH TYR A 163 12.142 -1.077 4.349 1.00 0.00 O ATOM 0 H TYR A 163 8.771 -4.207 0.449 1.00 0.00 H new ATOM 0 HA TYR A 163 8.541 -2.785 -2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 163 9.915 -0.913 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 163 8.396 -0.949 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 163 8.372 -1.824 1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 163 11.996 -0.963 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 163 9.618 -1.707 4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 163 13.232 -0.740 1.926 1.00 0.00 H new ATOM 0 HH TYR A 163 12.288 -0.128 4.544 1.00 0.00 H new ATOM 711 N ARG A 164 10.793 -3.702 -2.651 1.00 0.00 N ATOM 712 CA ARG A 164 12.179 -4.020 -2.993 1.00 0.00 C ATOM 713 C ARG A 164 13.003 -2.787 -2.647 1.00 0.00 C ATOM 714 O ARG A 164 12.487 -1.674 -2.805 1.00 0.00 O ATOM 715 CB ARG A 164 12.317 -4.311 -4.493 1.00 0.00 C ATOM 716 CG ARG A 164 11.906 -5.738 -4.869 1.00 0.00 C ATOM 717 CD ARG A 164 11.463 -5.808 -6.338 1.00 0.00 C ATOM 718 NE ARG A 164 11.641 -7.153 -6.916 1.00 0.00 N ATOM 719 CZ ARG A 164 11.374 -7.465 -8.192 1.00 0.00 C ATOM 720 NH1 ARG A 164 10.625 -6.671 -8.951 1.00 0.00 N ATOM 721 NH2 ARG A 164 11.865 -8.569 -8.742 1.00 0.00 N ATOM 0 H ARG A 164 10.188 -3.552 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 164 12.513 -4.903 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 164 11.704 -3.604 -5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 164 13.351 -4.146 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.742 -6.418 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.093 -6.069 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 164 10.415 -5.519 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 164 12.034 -5.086 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 164 11.989 -7.893 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 164 10.243 -5.808 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 164 10.433 -6.925 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 164 12.455 -9.194 -8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 164 11.653 -8.792 -9.714 1.00 0.00 H new ATOM 735 N PRO A 165 14.264 -2.948 -2.238 1.00 0.00 N ATOM 736 CA PRO A 165 15.067 -1.813 -1.827 1.00 0.00 C ATOM 737 C PRO A 165 15.354 -0.910 -3.021 1.00 0.00 C ATOM 738 O PRO A 165 15.308 -1.370 -4.165 1.00 0.00 O ATOM 739 CB PRO A 165 16.337 -2.402 -1.210 1.00 0.00 C ATOM 740 CG PRO A 165 16.431 -3.814 -1.796 1.00 0.00 C ATOM 741 CD PRO A 165 14.992 -4.200 -2.127 1.00 0.00 C ATOM 0 HA PRO A 165 14.557 -1.182 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 165 17.214 -1.808 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 165 16.274 -2.427 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 165 17.059 -3.831 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 165 16.872 -4.509 -1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 165 14.943 -4.765 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 165 14.567 -4.832 -1.347 1.00 0.00 H new ATOM 749 N VAL A 166 15.642 0.369 -2.776 1.00 0.00 N ATOM 750 CA VAL A 166 16.217 1.235 -3.798 1.00 0.00 C ATOM 751 C VAL A 166 17.543 0.644 -4.266 1.00 0.00 C ATOM 752 O VAL A 166 18.491 0.542 -3.483 1.00 0.00 O ATOM 753 CB VAL A 166 16.351 2.690 -3.320 1.00 0.00 C ATOM 754 CG1 VAL A 166 15.134 3.458 -3.834 1.00 0.00 C ATOM 755 CG2 VAL A 166 16.471 2.893 -1.802 1.00 0.00 C ATOM 0 H VAL A 166 15.485 0.825 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 166 15.538 1.277 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 166 17.297 3.056 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 166 15.197 4.497 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 166 15.111 3.416 -4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 166 14.225 3.009 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 166 16.560 3.957 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 166 15.584 2.494 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 166 17.355 2.372 -1.434 1.00 0.00 H new ATOM 765 N ASP A 167 17.582 0.216 -5.528 1.00 0.00 N ATOM 766 CA ASP A 167 18.811 -0.195 -6.188 1.00 0.00 C ATOM 767 C ASP A 167 18.624 -0.125 -7.688 1.00 0.00 C ATOM 768 O ASP A 167 19.287 0.662 -8.368 1.00 0.00 O ATOM 769 CB ASP A 167 19.189 -1.631 -5.812 1.00 0.00 C ATOM 770 CG ASP A 167 20.672 -1.905 -6.033 1.00 0.00 C ATOM 771 OD1 ASP A 167 21.052 -2.155 -7.199 1.00 0.00 O ATOM 772 OD2 ASP A 167 21.407 -2.014 -5.019 1.00 0.00 O ATOM 0 H ASP A 167 16.755 0.146 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 167 19.607 0.476 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 167 18.939 -1.810 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 167 18.599 -2.329 -6.405 1.00 0.00 H new ATOM 777 N GLN A 168 17.712 -0.949 -8.213 1.00 0.00 N ATOM 778 CA GLN A 168 17.646 -1.238 -9.634 1.00 0.00 C ATOM 779 C GLN A 168 16.454 -0.561 -10.304 1.00 0.00 C ATOM 780 O GLN A 168 16.443 -0.374 -11.518 1.00 0.00 O ATOM 781 CB GLN A 168 17.519 -2.740 -9.895 1.00 0.00 C ATOM 782 CG GLN A 168 18.692 -3.586 -9.382 1.00 0.00 C ATOM 783 CD GLN A 168 18.228 -4.764 -8.533 1.00 0.00 C ATOM 784 OE1 GLN A 168 18.468 -5.922 -8.865 1.00 0.00 O ATOM 785 NE2 GLN A 168 17.498 -4.524 -7.455 1.00 0.00 N ATOM 0 H GLN A 168 17.003 -1.430 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 168 18.576 -0.853 -10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 168 16.601 -3.098 -9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 168 17.416 -2.900 -10.968 1.00 0.00 H new ATOM 0 HG2 GLN A 168 19.268 -3.957 -10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 168 19.360 -2.958 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 168 17.298 -3.563 -7.178 1.00 0.00 H new ATOM 0 HE22 GLN A 168 17.136 -5.300 -6.901 1.00 0.00 H new ATOM 794 N ALA A 169 15.434 -0.244 -9.511 1.00 0.00 N ATOM 795 CA ALA A 169 14.164 0.303 -9.953 1.00 0.00 C ATOM 796 C ALA A 169 13.883 1.621 -9.224 1.00 0.00 C ATOM 797 O ALA A 169 12.786 1.806 -8.707 1.00 0.00 O ATOM 798 CB ALA A 169 13.074 -0.758 -9.725 1.00 0.00 C ATOM 0 H ALA A 169 15.477 -0.369 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 169 14.184 0.539 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 169 12.111 -0.366 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 169 13.313 -1.654 -10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 169 13.024 -1.007 -8.665 1.00 0.00 H new ATOM 804 N SER A 170 14.870 2.506 -9.057 1.00 0.00 N ATOM 805 CA SER A 170 14.674 3.773 -8.370 1.00 0.00 C ATOM 806 C SER A 170 13.898 4.773 -9.239 1.00 0.00 C ATOM 807 O SER A 170 14.484 5.608 -9.926 1.00 0.00 O ATOM 808 CB SER A 170 15.959 4.305 -7.733 1.00 0.00 C ATOM 809 OG SER A 170 17.043 4.433 -8.629 1.00 0.00 O ATOM 0 H SER A 170 15.821 2.360 -9.395 1.00 0.00 H new ATOM 0 HA SER A 170 14.026 3.596 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 170 15.754 5.279 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 170 16.251 3.639 -6.921 1.00 0.00 H new ATOM 0 HG SER A 170 17.825 4.779 -8.150 1.00 0.00 H new ATOM 815 N ASN A 171 12.569 4.661 -9.242 1.00 0.00 N ATOM 816 CA ASN A 171 11.598 5.710 -9.587 1.00 0.00 C ATOM 817 C ASN A 171 10.527 5.713 -8.484 1.00 0.00 C ATOM 818 O ASN A 171 10.539 4.872 -7.584 1.00 0.00 O ATOM 819 CB ASN A 171 10.959 5.478 -10.981 1.00 0.00 C ATOM 820 CG ASN A 171 10.112 6.601 -11.539 1.00 0.00 C ATOM 821 OD1 ASN A 171 10.133 7.736 -11.081 1.00 0.00 O ATOM 822 ND2 ASN A 171 9.271 6.273 -12.497 1.00 0.00 N ATOM 0 H ASN A 171 12.111 3.785 -8.989 1.00 0.00 H new ATOM 0 HA ASN A 171 12.101 6.675 -9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 171 11.759 5.271 -11.691 1.00 0.00 H new ATOM 0 HB3 ASN A 171 10.341 4.582 -10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 171 8.624 6.969 -12.868 1.00 0.00 H new ATOM 0 HD22 ASN A 171 9.266 5.323 -12.868 1.00 0.00 H new ATOM 829 N GLN A 172 9.560 6.625 -8.572 1.00 0.00 N ATOM 830 CA GLN A 172 8.373 6.669 -7.728 1.00 0.00 C ATOM 831 C GLN A 172 7.207 5.963 -8.416 1.00 0.00 C ATOM 832 O GLN A 172 6.153 5.837 -7.810 1.00 0.00 O ATOM 833 CB GLN A 172 8.003 8.126 -7.392 1.00 0.00 C ATOM 834 CG GLN A 172 6.939 8.231 -6.274 1.00 0.00 C ATOM 835 CD GLN A 172 7.100 9.490 -5.424 1.00 0.00 C ATOM 836 OE1 GLN A 172 8.176 9.780 -4.912 1.00 0.00 O ATOM 837 NE2 GLN A 172 6.051 10.268 -5.227 1.00 0.00 N ATOM 0 H GLN A 172 9.585 7.379 -9.258 1.00 0.00 H new ATOM 0 HA GLN A 172 8.590 6.148 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 172 8.901 8.663 -7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 172 7.630 8.618 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 172 5.945 8.224 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 172 7.005 7.353 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 172 5.154 10.031 -5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 172 6.138 11.106 -4.651 1.00 0.00 H new ATOM 846 N ASN A 173 7.341 5.510 -9.667 1.00 0.00 N ATOM 847 CA ASN A 173 6.286 4.750 -10.297 1.00 0.00 C ATOM 848 C ASN A 173 6.515 3.281 -10.005 1.00 0.00 C ATOM 849 O ASN A 173 5.653 2.637 -9.436 1.00 0.00 O ATOM 850 CB ASN A 173 6.246 4.976 -11.807 1.00 0.00 C ATOM 851 CG ASN A 173 4.801 4.799 -12.239 1.00 0.00 C ATOM 852 OD1 ASN A 173 4.093 5.760 -12.518 1.00 0.00 O ATOM 853 ND2 ASN A 173 4.299 3.582 -12.186 1.00 0.00 N ATOM 0 H ASN A 173 8.165 5.661 -10.248 1.00 0.00 H new ATOM 0 HA ASN A 173 5.329 5.081 -9.894 1.00 0.00 H new ATOM 0 HB2 ASN A 173 6.605 5.974 -12.058 1.00 0.00 H new ATOM 0 HB3 ASN A 173 6.893 4.266 -12.321 1.00 0.00 H new ATOM 0 HD21 ASN A 173 3.309 3.430 -12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 173 4.900 2.792 -11.952 1.00 0.00 H new ATOM 860 N ASN A 174 7.669 2.740 -10.404 1.00 0.00 N ATOM 861 CA ASN A 174 7.963 1.311 -10.340 1.00 0.00 C ATOM 862 C ASN A 174 7.949 0.825 -8.898 1.00 0.00 C ATOM 863 O ASN A 174 7.211 -0.107 -8.605 1.00 0.00 O ATOM 864 CB ASN A 174 9.283 0.954 -11.050 1.00 0.00 C ATOM 865 CG ASN A 174 10.425 1.919 -10.769 1.00 0.00 C ATOM 866 OD1 ASN A 174 10.393 2.654 -9.796 1.00 0.00 O ATOM 867 ND2 ASN A 174 11.370 2.062 -11.682 1.00 0.00 N ATOM 0 H ASN A 174 8.436 3.294 -10.786 1.00 0.00 H new ATOM 0 HA ASN A 174 7.174 0.789 -10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 174 9.586 -0.048 -10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 174 9.107 0.921 -12.125 1.00 0.00 H new ATOM 0 HD21 ASN A 174 12.077 2.789 -11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 174 11.392 1.445 -12.494 1.00 0.00 H new ATOM 874 N PHE A 175 8.690 1.475 -8.003 1.00 0.00 N ATOM 875 CA PHE A 175 8.778 1.116 -6.594 1.00 0.00 C ATOM 876 C PHE A 175 7.387 1.052 -5.976 1.00 0.00 C ATOM 877 O PHE A 175 7.104 0.163 -5.180 1.00 0.00 O ATOM 878 CB PHE A 175 9.647 2.164 -5.887 1.00 0.00 C ATOM 879 CG PHE A 175 9.916 1.944 -4.407 1.00 0.00 C ATOM 880 CD1 PHE A 175 8.909 2.203 -3.455 1.00 0.00 C ATOM 881 CD2 PHE A 175 11.186 1.517 -3.970 1.00 0.00 C ATOM 882 CE1 PHE A 175 9.163 2.026 -2.086 1.00 0.00 C ATOM 883 CE2 PHE A 175 11.450 1.374 -2.597 1.00 0.00 C ATOM 884 CZ PHE A 175 10.441 1.637 -1.655 1.00 0.00 C ATOM 0 H PHE A 175 9.259 2.286 -8.246 1.00 0.00 H new ATOM 0 HA PHE A 175 9.230 0.130 -6.482 1.00 0.00 H new ATOM 0 HB2 PHE A 175 10.606 2.215 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 175 9.170 3.137 -6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 175 7.936 2.540 -3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 175 11.959 1.299 -4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 175 8.376 2.189 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 175 12.429 1.062 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 175 10.649 1.540 -0.600 1.00 0.00 H new ATOM 894 N VAL A 176 6.538 2.020 -6.308 1.00 0.00 N ATOM 895 CA VAL A 176 5.212 2.191 -5.741 1.00 0.00 C ATOM 896 C VAL A 176 4.249 1.176 -6.365 1.00 0.00 C ATOM 897 O VAL A 176 3.485 0.542 -5.651 1.00 0.00 O ATOM 898 CB VAL A 176 4.813 3.660 -5.979 1.00 0.00 C ATOM 899 CG1 VAL A 176 3.381 3.997 -5.557 1.00 0.00 C ATOM 900 CG2 VAL A 176 5.740 4.570 -5.142 1.00 0.00 C ATOM 0 H VAL A 176 6.766 2.730 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 176 5.183 1.996 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 176 4.898 3.820 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 176 3.181 5.049 -5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 176 2.681 3.380 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 176 3.260 3.802 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 176 5.467 5.613 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 176 5.633 4.325 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 176 6.775 4.415 -5.447 1.00 0.00 H new ATOM 910 N HIS A 177 4.299 0.985 -7.679 1.00 0.00 N ATOM 911 CA HIS A 177 3.460 0.080 -8.443 1.00 0.00 C ATOM 912 C HIS A 177 3.753 -1.376 -8.082 1.00 0.00 C ATOM 913 O HIS A 177 2.824 -2.148 -7.878 1.00 0.00 O ATOM 914 CB HIS A 177 3.694 0.387 -9.925 1.00 0.00 C ATOM 915 CG HIS A 177 2.846 -0.398 -10.883 1.00 0.00 C ATOM 916 ND1 HIS A 177 2.855 -1.754 -10.989 1.00 0.00 N flip ATOM 917 CD2 HIS A 177 1.992 0.094 -11.844 1.00 0.00 C flip ATOM 918 CE1 HIS A 177 2.025 -2.110 -12.054 1.00 0.00 C flip ATOM 919 NE2 HIS A 177 1.490 -0.961 -12.509 1.00 0.00 N flip ATOM 0 H HIS A 177 4.964 1.487 -8.268 1.00 0.00 H new ATOM 0 HA HIS A 177 2.406 0.227 -8.209 1.00 0.00 H new ATOM 0 HB2 HIS A 177 3.514 1.449 -10.092 1.00 0.00 H new ATOM 0 HB3 HIS A 177 4.743 0.201 -10.157 1.00 0.00 H new ATOM 0 HD2 HIS A 177 1.767 1.134 -12.029 1.00 0.00 H new ATOM 0 HE1 HIS A 177 1.848 -3.105 -12.435 1.00 0.00 H new ATOM 0 HE2 HIS A 177 0.798 -0.900 -13.256 1.00 0.00 H new ATOM 927 N ASP A 178 5.018 -1.793 -8.069 1.00 0.00 N ATOM 928 CA ASP A 178 5.407 -3.176 -7.791 1.00 0.00 C ATOM 929 C ASP A 178 5.122 -3.522 -6.326 1.00 0.00 C ATOM 930 O ASP A 178 4.690 -4.633 -6.022 1.00 0.00 O ATOM 931 CB ASP A 178 6.887 -3.386 -8.162 1.00 0.00 C ATOM 932 CG ASP A 178 7.201 -4.739 -8.807 1.00 0.00 C ATOM 933 OD1 ASP A 178 6.295 -5.363 -9.417 1.00 0.00 O ATOM 934 OD2 ASP A 178 8.397 -5.093 -8.902 1.00 0.00 O ATOM 0 H ASP A 178 5.809 -1.176 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 178 4.814 -3.855 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 178 7.192 -2.594 -8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 178 7.492 -3.280 -7.261 1.00 0.00 H new ATOM 939 N CYS A 179 5.262 -2.529 -5.442 1.00 0.00 N ATOM 940 CA CYS A 179 4.753 -2.540 -4.078 1.00 0.00 C ATOM 941 C CYS A 179 3.240 -2.755 -4.058 1.00 0.00 C ATOM 942 O CYS A 179 2.785 -3.667 -3.369 1.00 0.00 O ATOM 943 CB CYS A 179 5.122 -1.220 -3.396 1.00 0.00 C ATOM 944 SG CYS A 179 4.126 -0.760 -1.967 1.00 0.00 S ATOM 0 H CYS A 179 5.753 -1.665 -5.672 1.00 0.00 H new ATOM 0 HA CYS A 179 5.207 -3.369 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 179 6.165 -1.275 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 179 5.052 -0.421 -4.134 1.00 0.00 H new ATOM 949 N VAL A 180 2.456 -1.934 -4.770 1.00 0.00 N ATOM 950 CA VAL A 180 1.004 -2.058 -4.867 1.00 0.00 C ATOM 951 C VAL A 180 0.671 -3.477 -5.325 1.00 0.00 C ATOM 952 O VAL A 180 0.001 -4.178 -4.577 1.00 0.00 O ATOM 953 CB VAL A 180 0.405 -0.924 -5.738 1.00 0.00 C ATOM 954 CG1 VAL A 180 -1.026 -1.206 -6.213 1.00 0.00 C ATOM 955 CG2 VAL A 180 0.343 0.397 -4.954 1.00 0.00 C ATOM 0 H VAL A 180 2.827 -1.149 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 180 0.528 -1.921 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 180 1.069 -0.861 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.380 -0.370 -6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -1.038 -2.117 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -1.678 -1.331 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -0.081 1.176 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -0.282 0.267 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 180 1.348 0.686 -4.647 1.00 0.00 H new ATOM 965 N ASN A 181 1.190 -3.924 -6.476 1.00 0.00 N ATOM 966 CA ASN A 181 1.076 -5.284 -6.999 1.00 0.00 C ATOM 967 C ASN A 181 1.266 -6.302 -5.891 1.00 0.00 C ATOM 968 O ASN A 181 0.350 -7.073 -5.644 1.00 0.00 O ATOM 969 CB ASN A 181 2.109 -5.584 -8.102 1.00 0.00 C ATOM 970 CG ASN A 181 1.662 -5.211 -9.501 1.00 0.00 C ATOM 971 OD1 ASN A 181 0.502 -5.356 -9.870 1.00 0.00 O ATOM 972 ND2 ASN A 181 2.602 -4.801 -10.330 1.00 0.00 N ATOM 0 H ASN A 181 1.726 -3.315 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 181 0.076 -5.358 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 181 3.031 -5.049 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 181 2.345 -6.648 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.371 -4.597 -11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 181 3.560 -4.688 -9.999 1.00 0.00 H new ATOM 979 N ILE A 182 2.435 -6.349 -5.246 1.00 0.00 N ATOM 980 CA ILE A 182 2.706 -7.346 -4.220 1.00 0.00 C ATOM 981 C ILE A 182 1.726 -7.207 -3.056 1.00 0.00 C ATOM 982 O ILE A 182 1.160 -8.205 -2.633 1.00 0.00 O ATOM 983 CB ILE A 182 4.194 -7.297 -3.785 1.00 0.00 C ATOM 984 CG1 ILE A 182 5.155 -8.036 -4.748 1.00 0.00 C ATOM 985 CG2 ILE A 182 4.404 -7.853 -2.371 1.00 0.00 C ATOM 986 CD1 ILE A 182 4.640 -9.322 -5.407 1.00 0.00 C ATOM 0 H ILE A 182 3.207 -5.705 -5.420 1.00 0.00 H new ATOM 0 HA ILE A 182 2.544 -8.340 -4.636 1.00 0.00 H new ATOM 0 HB ILE A 182 4.440 -6.235 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 182 5.439 -7.342 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 182 6.063 -8.280 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.461 -7.798 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 182 3.824 -7.265 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 182 4.076 -8.892 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 182 5.414 -9.734 -6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 182 4.387 -10.050 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 182 3.753 -9.097 -5.999 1.00 0.00 H new ATOM 998 N THR A 183 1.546 -6.016 -2.500 1.00 0.00 N ATOM 999 CA THR A 183 0.810 -5.809 -1.262 1.00 0.00 C ATOM 1000 C THR A 183 -0.667 -6.155 -1.481 1.00 0.00 C ATOM 1001 O THR A 183 -1.297 -6.731 -0.594 1.00 0.00 O ATOM 1002 CB THR A 183 1.036 -4.362 -0.791 1.00 0.00 C ATOM 1003 OG1 THR A 183 2.426 -4.096 -0.694 1.00 0.00 O ATOM 1004 CG2 THR A 183 0.414 -4.075 0.573 1.00 0.00 C ATOM 0 H THR A 183 1.913 -5.154 -2.903 1.00 0.00 H new ATOM 0 HA THR A 183 1.168 -6.468 -0.471 1.00 0.00 H new ATOM 0 HB THR A 183 0.555 -3.724 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 183 2.780 -3.875 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 183 0.607 -3.039 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 183 -0.662 -4.243 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 183 0.852 -4.738 1.319 1.00 0.00 H new ATOM 1012 N ILE A 184 -1.196 -5.879 -2.675 1.00 0.00 N ATOM 1013 CA ILE A 184 -2.507 -6.310 -3.127 1.00 0.00 C ATOM 1014 C ILE A 184 -2.486 -7.822 -3.344 1.00 0.00 C ATOM 1015 O ILE A 184 -3.294 -8.514 -2.740 1.00 0.00 O ATOM 1016 CB ILE A 184 -2.940 -5.449 -4.339 1.00 0.00 C ATOM 1017 CG1 ILE A 184 -3.386 -4.074 -3.790 1.00 0.00 C ATOM 1018 CG2 ILE A 184 -4.008 -6.062 -5.248 1.00 0.00 C ATOM 1019 CD1 ILE A 184 -3.865 -3.079 -4.845 1.00 0.00 C ATOM 0 H ILE A 184 -0.699 -5.328 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 184 -3.283 -6.143 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 184 -2.079 -5.367 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.189 -4.231 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.552 -3.630 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.233 -5.372 -6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.640 -7.001 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -4.913 -6.249 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.155 -2.147 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.060 -2.884 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -4.722 -3.495 -5.375 1.00 0.00 H new ATOM 1031 N LYS A 185 -1.530 -8.390 -4.087 1.00 0.00 N ATOM 1032 CA LYS A 185 -1.306 -9.831 -4.267 1.00 0.00 C ATOM 1033 C LYS A 185 -0.951 -10.567 -2.954 1.00 0.00 C ATOM 1034 O LYS A 185 -0.696 -11.772 -2.932 1.00 0.00 O ATOM 1035 CB LYS A 185 -0.267 -9.999 -5.376 1.00 0.00 C ATOM 1036 CG LYS A 185 -0.137 -11.443 -5.866 1.00 0.00 C ATOM 1037 CD LYS A 185 -0.091 -11.481 -7.396 1.00 0.00 C ATOM 1038 CE LYS A 185 0.431 -12.835 -7.880 1.00 0.00 C ATOM 1039 NZ LYS A 185 1.248 -12.681 -9.103 1.00 0.00 N ATOM 0 H LYS A 185 -0.856 -7.829 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 185 -2.234 -10.316 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -0.536 -9.360 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 185 0.702 -9.657 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.767 -11.893 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.979 -12.034 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -1.087 -11.302 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.552 -10.683 -7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.028 -13.300 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.408 -13.502 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.590 -13.613 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.669 -12.258 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 2.060 -12.063 -8.902 1.00 0.00 H new ATOM 1053 N GLN A 186 -0.949 -9.865 -1.827 1.00 0.00 N ATOM 1054 CA GLN A 186 -0.824 -10.372 -0.491 1.00 0.00 C ATOM 1055 C GLN A 186 -2.177 -10.198 0.178 1.00 0.00 C ATOM 1056 O GLN A 186 -2.753 -11.213 0.541 1.00 0.00 O ATOM 1057 CB GLN A 186 0.373 -9.706 0.195 1.00 0.00 C ATOM 1058 CG GLN A 186 1.693 -10.283 -0.341 1.00 0.00 C ATOM 1059 CD GLN A 186 1.947 -11.667 0.228 1.00 0.00 C ATOM 1060 OE1 GLN A 186 2.443 -11.803 1.342 1.00 0.00 O ATOM 1061 NE2 GLN A 186 1.569 -12.704 -0.505 1.00 0.00 N ATOM 0 H GLN A 186 -1.043 -8.849 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 186 -0.593 -11.436 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 186 0.344 -8.630 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 186 0.313 -9.860 1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 186 1.658 -10.333 -1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 186 2.518 -9.620 -0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 186 1.160 -12.555 -1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.687 -13.652 -0.147 1.00 0.00 H new ATOM 1070 N HIS A 187 -2.791 -9.018 0.247 1.00 0.00 N ATOM 1071 CA HIS A 187 -4.131 -8.901 0.829 1.00 0.00 C ATOM 1072 C HIS A 187 -5.211 -9.726 0.086 1.00 0.00 C ATOM 1073 O HIS A 187 -6.280 -9.954 0.643 1.00 0.00 O ATOM 1074 CB HIS A 187 -4.542 -7.426 0.988 1.00 0.00 C ATOM 1075 CG HIS A 187 -4.593 -6.935 2.413 1.00 0.00 C ATOM 1076 ND1 HIS A 187 -5.653 -6.271 2.983 1.00 0.00 N ATOM 1077 CD2 HIS A 187 -3.640 -7.095 3.381 1.00 0.00 C ATOM 1078 CE1 HIS A 187 -5.359 -6.051 4.274 1.00 0.00 C ATOM 1079 NE2 HIS A 187 -4.142 -6.538 4.565 1.00 0.00 N ATOM 0 H HIS A 187 -2.392 -8.141 -0.087 1.00 0.00 H new ATOM 0 HA HIS A 187 -4.067 -9.345 1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -3.841 -6.806 0.429 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -5.523 -7.286 0.535 1.00 0.00 H new ATOM 0 HD1 HIS A 187 -6.512 -5.994 2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -2.676 -7.565 3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -6.009 -5.553 4.978 1.00 0.00 H new ATOM 1087 N THR A 188 -4.938 -10.254 -1.108 1.00 0.00 N ATOM 1088 CA THR A 188 -5.858 -11.025 -1.959 1.00 0.00 C ATOM 1089 C THR A 188 -5.755 -12.517 -1.687 1.00 0.00 C ATOM 1090 O THR A 188 -6.637 -13.288 -2.061 1.00 0.00 O ATOM 1091 CB THR A 188 -5.477 -10.857 -3.438 1.00 0.00 C ATOM 1092 OG1 THR A 188 -4.088 -10.815 -3.547 1.00 0.00 O ATOM 1093 CG2 THR A 188 -6.032 -9.608 -4.097 1.00 0.00 C ATOM 0 H THR A 188 -4.018 -10.152 -1.535 1.00 0.00 H new ATOM 0 HA THR A 188 -6.860 -10.654 -1.741 1.00 0.00 H new ATOM 0 HB THR A 188 -5.916 -11.711 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 188 -3.776 -9.898 -3.399 1.00 0.00 H new ATOM 0 HG21 THR A 188 -5.712 -9.573 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 188 -7.121 -9.626 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 188 -5.662 -8.726 -3.574 1.00 0.00 H new ATOM 1101 N VAL A 189 -4.642 -12.930 -1.097 1.00 0.00 N ATOM 1102 CA VAL A 189 -4.255 -14.312 -0.927 1.00 0.00 C ATOM 1103 C VAL A 189 -3.988 -14.465 0.563 1.00 0.00 C ATOM 1104 O VAL A 189 -4.757 -15.115 1.267 1.00 0.00 O ATOM 1105 CB VAL A 189 -3.036 -14.645 -1.827 1.00 0.00 C ATOM 1106 CG1 VAL A 189 -2.748 -16.145 -1.791 1.00 0.00 C ATOM 1107 CG2 VAL A 189 -3.236 -14.256 -3.299 1.00 0.00 C ATOM 0 H VAL A 189 -3.959 -12.279 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 189 -5.022 -15.021 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 189 -2.209 -14.061 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -1.890 -16.366 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -2.529 -16.449 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -3.619 -16.691 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -2.344 -14.518 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -4.095 -14.791 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -3.410 -13.182 -3.371 1.00 0.00 H new ATOM 1117 N THR A 190 -2.960 -13.782 1.071 1.00 0.00 N ATOM 1118 CA THR A 190 -2.508 -13.965 2.448 1.00 0.00 C ATOM 1119 C THR A 190 -3.401 -13.241 3.471 1.00 0.00 C ATOM 1120 O THR A 190 -3.184 -13.375 4.670 1.00 0.00 O ATOM 1121 CB THR A 190 -0.989 -13.676 2.558 1.00 0.00 C ATOM 1122 OG1 THR A 190 -0.367 -14.527 3.495 1.00 0.00 O ATOM 1123 CG2 THR A 190 -0.604 -12.254 2.976 1.00 0.00 C ATOM 0 H THR A 190 -2.423 -13.093 0.544 1.00 0.00 H new ATOM 0 HA THR A 190 -2.629 -15.012 2.725 1.00 0.00 H new ATOM 0 HB THR A 190 -0.650 -13.840 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 190 0.590 -14.321 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 190 0.482 -12.169 3.020 1.00 0.00 H new ATOM 0 HG22 THR A 190 -0.995 -11.543 2.249 1.00 0.00 H new ATOM 0 HG23 THR A 190 -1.025 -12.037 3.958 1.00 0.00 H new ATOM 1131 N THR A 191 -4.445 -12.532 3.038 1.00 0.00 N ATOM 1132 CA THR A 191 -5.445 -11.976 3.943 1.00 0.00 C ATOM 1133 C THR A 191 -6.818 -12.544 3.593 1.00 0.00 C ATOM 1134 O THR A 191 -7.491 -13.027 4.497 1.00 0.00 O ATOM 1135 CB THR A 191 -5.318 -10.447 3.990 1.00 0.00 C ATOM 1136 OG1 THR A 191 -3.984 -10.120 4.343 1.00 0.00 O ATOM 1137 CG2 THR A 191 -6.249 -9.780 4.998 1.00 0.00 C ATOM 0 H THR A 191 -4.618 -12.329 2.053 1.00 0.00 H new ATOM 0 HA THR A 191 -5.280 -12.282 4.976 1.00 0.00 H new ATOM 0 HB THR A 191 -5.596 -10.078 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 191 -3.986 -9.360 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 191 -6.100 -8.701 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 191 -7.284 -10.010 4.745 1.00 0.00 H new ATOM 0 HG23 THR A 191 -6.029 -10.153 5.998 1.00 0.00 H new ATOM 1145 N THR A 192 -7.205 -12.658 2.317 1.00 0.00 N ATOM 1146 CA THR A 192 -8.479 -13.286 1.954 1.00 0.00 C ATOM 1147 C THR A 192 -8.575 -14.746 2.437 1.00 0.00 C ATOM 1148 O THR A 192 -9.669 -15.231 2.722 1.00 0.00 O ATOM 1149 CB THR A 192 -8.697 -13.110 0.444 1.00 0.00 C ATOM 1150 OG1 THR A 192 -8.744 -11.721 0.192 1.00 0.00 O ATOM 1151 CG2 THR A 192 -9.956 -13.748 -0.134 1.00 0.00 C ATOM 0 H THR A 192 -6.657 -12.325 1.523 1.00 0.00 H new ATOM 0 HA THR A 192 -9.297 -12.788 2.474 1.00 0.00 H new ATOM 0 HB THR A 192 -7.873 -13.628 -0.046 1.00 0.00 H new ATOM 0 HG1 THR A 192 -7.843 -11.344 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 192 -10.001 -13.557 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 192 -9.933 -14.823 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 192 -10.835 -13.320 0.348 1.00 0.00 H new ATOM 1159 N THR A 193 -7.452 -15.444 2.630 1.00 0.00 N ATOM 1160 CA THR A 193 -7.455 -16.792 3.199 1.00 0.00 C ATOM 1161 C THR A 193 -7.339 -16.767 4.724 1.00 0.00 C ATOM 1162 O THR A 193 -7.797 -17.698 5.381 1.00 0.00 O ATOM 1163 CB THR A 193 -6.409 -17.700 2.522 1.00 0.00 C ATOM 1164 OG1 THR A 193 -6.807 -19.065 2.566 1.00 0.00 O ATOM 1165 CG2 THR A 193 -5.005 -17.618 3.130 1.00 0.00 C ATOM 0 H THR A 193 -6.523 -15.093 2.398 1.00 0.00 H new ATOM 0 HA THR A 193 -8.425 -17.239 2.982 1.00 0.00 H new ATOM 0 HB THR A 193 -6.360 -17.326 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 193 -6.127 -19.618 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 193 -4.336 -18.289 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 193 -4.634 -16.596 3.052 1.00 0.00 H new ATOM 0 HG23 THR A 193 -5.045 -17.910 4.179 1.00 0.00 H new ATOM 1173 N LYS A 194 -6.775 -15.701 5.291 1.00 0.00 N ATOM 1174 CA LYS A 194 -6.589 -15.537 6.729 1.00 0.00 C ATOM 1175 C LYS A 194 -7.720 -14.688 7.324 1.00 0.00 C ATOM 1176 O LYS A 194 -7.569 -14.166 8.428 1.00 0.00 O ATOM 1177 CB LYS A 194 -5.154 -15.055 7.040 1.00 0.00 C ATOM 1178 CG LYS A 194 -4.113 -16.046 6.471 1.00 0.00 C ATOM 1179 CD LYS A 194 -2.729 -16.049 7.148 1.00 0.00 C ATOM 1180 CE LYS A 194 -1.708 -15.149 6.431 1.00 0.00 C ATOM 1181 NZ LYS A 194 -0.327 -15.687 6.442 1.00 0.00 N ATOM 0 H LYS A 194 -6.427 -14.910 4.749 1.00 0.00 H new ATOM 0 HA LYS A 194 -6.671 -16.499 7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.995 -14.066 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.022 -14.959 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -4.528 -17.052 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.975 -15.826 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -2.835 -15.718 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -2.347 -17.070 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -2.025 -15.007 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -1.709 -14.166 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 0.143 -15.456 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 0.204 -15.263 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -0.358 -16.720 6.561 1.00 0.00 H new ATOM 1195 N GLY A 195 -8.848 -14.573 6.613 1.00 0.00 N ATOM 1196 CA GLY A 195 -10.100 -14.045 7.118 1.00 0.00 C ATOM 1197 C GLY A 195 -10.562 -12.793 6.389 1.00 0.00 C ATOM 1198 O GLY A 195 -10.994 -11.860 7.068 1.00 0.00 O ATOM 0 H GLY A 195 -8.905 -14.858 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -10.870 -14.812 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -9.990 -13.820 8.179 1.00 0.00 H new ATOM 1202 N GLU A 196 -10.488 -12.709 5.054 1.00 0.00 N ATOM 1203 CA GLU A 196 -11.080 -11.574 4.324 1.00 0.00 C ATOM 1204 C GLU A 196 -11.794 -12.025 3.053 1.00 0.00 C ATOM 1205 O GLU A 196 -11.756 -13.204 2.694 1.00 0.00 O ATOM 1206 CB GLU A 196 -9.996 -10.523 4.021 1.00 0.00 C ATOM 1207 CG GLU A 196 -10.136 -9.255 4.879 1.00 0.00 C ATOM 1208 CD GLU A 196 -11.217 -8.276 4.412 1.00 0.00 C ATOM 1209 OE1 GLU A 196 -12.022 -8.600 3.510 1.00 0.00 O ATOM 1210 OE2 GLU A 196 -11.306 -7.163 4.976 1.00 0.00 O ATOM 0 H GLU A 196 -10.031 -13.402 4.462 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.839 -11.118 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.013 -10.963 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -10.046 -10.250 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -10.353 -9.551 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.178 -8.736 4.893 1.00 0.00 H new ATOM 1217 N ASN A 197 -12.436 -11.086 2.357 1.00 0.00 N ATOM 1218 CA ASN A 197 -12.908 -11.244 0.992 1.00 0.00 C ATOM 1219 C ASN A 197 -13.166 -9.875 0.373 1.00 0.00 C ATOM 1220 O ASN A 197 -14.306 -9.524 0.058 1.00 0.00 O ATOM 1221 CB ASN A 197 -14.182 -12.098 0.946 1.00 0.00 C ATOM 1222 CG ASN A 197 -14.382 -12.713 -0.433 1.00 0.00 C ATOM 1223 OD1 ASN A 197 -14.313 -11.961 -1.529 1.00 0.00 O flip ATOM 1224 ND2 ASN A 197 -14.575 -13.922 -0.510 1.00 0.00 N flip ATOM 0 H ASN A 197 -12.646 -10.167 2.746 1.00 0.00 H new ATOM 0 HA ASN A 197 -12.138 -11.758 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -14.121 -12.888 1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -15.045 -11.483 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -14.625 -14.485 0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -14.685 -14.364 -1.423 1.00 0.00 H new ATOM 1231 N PHE A 198 -12.109 -9.106 0.160 1.00 0.00 N ATOM 1232 CA PHE A 198 -12.196 -7.830 -0.541 1.00 0.00 C ATOM 1233 C PHE A 198 -12.889 -7.991 -1.896 1.00 0.00 C ATOM 1234 O PHE A 198 -12.773 -9.050 -2.529 1.00 0.00 O ATOM 1235 CB PHE A 198 -10.802 -7.265 -0.771 1.00 0.00 C ATOM 1236 CG PHE A 198 -9.947 -7.115 0.470 1.00 0.00 C ATOM 1237 CD1 PHE A 198 -10.040 -5.935 1.217 1.00 0.00 C ATOM 1238 CD2 PHE A 198 -9.105 -8.152 0.913 1.00 0.00 C ATOM 1239 CE1 PHE A 198 -9.363 -5.801 2.437 1.00 0.00 C ATOM 1240 CE2 PHE A 198 -8.420 -8.022 2.133 1.00 0.00 C ATOM 1241 CZ PHE A 198 -8.581 -6.863 2.912 1.00 0.00 C ATOM 0 H PHE A 198 -11.167 -9.347 0.467 1.00 0.00 H new ATOM 0 HA PHE A 198 -12.780 -7.150 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 198 -10.279 -7.911 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 198 -10.898 -6.288 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 198 -10.641 -5.117 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 198 -8.986 -9.045 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 198 -9.443 -4.887 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 198 -7.769 -8.814 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 198 -8.102 -6.791 3.877 1.00 0.00 H new ATOM 1251 N THR A 199 -13.561 -6.937 -2.348 1.00 0.00 N ATOM 1252 CA THR A 199 -14.303 -6.867 -3.601 1.00 0.00 C ATOM 1253 C THR A 199 -13.554 -6.000 -4.616 1.00 0.00 C ATOM 1254 O THR A 199 -12.700 -5.222 -4.215 1.00 0.00 O ATOM 1255 CB THR A 199 -15.707 -6.313 -3.297 1.00 0.00 C ATOM 1256 OG1 THR A 199 -15.699 -5.270 -2.325 1.00 0.00 O ATOM 1257 CG2 THR A 199 -16.586 -7.420 -2.719 1.00 0.00 C ATOM 0 H THR A 199 -13.605 -6.064 -1.823 1.00 0.00 H new ATOM 0 HA THR A 199 -14.400 -7.858 -4.045 1.00 0.00 H new ATOM 0 HB THR A 199 -16.082 -5.925 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 199 -16.615 -4.957 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 199 -17.578 -7.023 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 199 -16.668 -8.233 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 199 -16.140 -7.795 -1.798 1.00 0.00 H new ATOM 1265 N GLU A 200 -13.892 -6.029 -5.905 1.00 0.00 N ATOM 1266 CA GLU A 200 -13.211 -5.255 -6.933 1.00 0.00 C ATOM 1267 C GLU A 200 -13.152 -3.759 -6.586 1.00 0.00 C ATOM 1268 O GLU A 200 -12.123 -3.103 -6.734 1.00 0.00 O ATOM 1269 CB GLU A 200 -13.923 -5.540 -8.255 1.00 0.00 C ATOM 1270 CG GLU A 200 -13.025 -5.229 -9.448 1.00 0.00 C ATOM 1271 CD GLU A 200 -13.319 -3.881 -10.094 1.00 0.00 C ATOM 1272 OE1 GLU A 200 -14.403 -3.720 -10.699 1.00 0.00 O ATOM 1273 OE2 GLU A 200 -12.464 -2.971 -10.002 1.00 0.00 O ATOM 0 H GLU A 200 -14.657 -6.599 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 200 -12.165 -5.553 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -14.226 -6.586 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -14.833 -4.942 -8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.984 -5.249 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -13.141 -6.014 -10.195 1.00 0.00 H new ATOM 1280 N THR A 201 -14.249 -3.238 -6.047 1.00 0.00 N ATOM 1281 CA THR A 201 -14.393 -1.865 -5.598 1.00 0.00 C ATOM 1282 C THR A 201 -13.556 -1.559 -4.344 1.00 0.00 C ATOM 1283 O THR A 201 -13.217 -0.388 -4.161 1.00 0.00 O ATOM 1284 CB THR A 201 -15.899 -1.687 -5.359 1.00 0.00 C ATOM 1285 OG1 THR A 201 -16.561 -1.835 -6.605 1.00 0.00 O ATOM 1286 CG2 THR A 201 -16.351 -0.360 -4.747 1.00 0.00 C ATOM 0 H THR A 201 -15.097 -3.788 -5.907 1.00 0.00 H new ATOM 0 HA THR A 201 -14.015 -1.159 -6.338 1.00 0.00 H new ATOM 0 HB THR A 201 -16.155 -2.444 -4.618 1.00 0.00 H new ATOM 0 HG1 THR A 201 -17.527 -1.727 -6.477 1.00 0.00 H new ATOM 0 HG21 THR A 201 -17.435 -0.363 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 201 -15.882 -0.231 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 201 -16.059 0.461 -5.402 1.00 0.00 H new ATOM 1294 N ASP A 202 -13.185 -2.549 -3.509 1.00 0.00 N ATOM 1295 CA ASP A 202 -12.113 -2.359 -2.527 1.00 0.00 C ATOM 1296 C ASP A 202 -10.826 -2.085 -3.279 1.00 0.00 C ATOM 1297 O ASP A 202 -10.146 -1.123 -2.959 1.00 0.00 O ATOM 1298 CB ASP A 202 -11.891 -3.571 -1.603 1.00 0.00 C ATOM 1299 CG ASP A 202 -10.429 -3.661 -1.153 1.00 0.00 C ATOM 1300 OD1 ASP A 202 -9.628 -4.321 -1.854 1.00 0.00 O ATOM 1301 OD2 ASP A 202 -10.150 -3.105 -0.073 1.00 0.00 O ATOM 0 H ASP A 202 -13.609 -3.476 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 202 -12.409 -1.528 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 202 -12.539 -3.490 -0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 202 -12.171 -4.486 -2.125 1.00 0.00 H new ATOM 1306 N VAL A 203 -10.492 -2.912 -4.269 1.00 0.00 N ATOM 1307 CA VAL A 203 -9.139 -2.940 -4.823 1.00 0.00 C ATOM 1308 C VAL A 203 -8.804 -1.578 -5.407 1.00 0.00 C ATOM 1309 O VAL A 203 -7.688 -1.087 -5.279 1.00 0.00 O ATOM 1310 CB VAL A 203 -9.007 -4.040 -5.894 1.00 0.00 C ATOM 1311 CG1 VAL A 203 -7.536 -4.250 -6.276 1.00 0.00 C ATOM 1312 CG2 VAL A 203 -9.653 -5.353 -5.430 1.00 0.00 C ATOM 0 H VAL A 203 -11.139 -3.571 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 203 -8.433 -3.170 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 203 -9.544 -3.709 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -7.465 -5.031 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -7.127 -3.321 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -6.970 -4.548 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -9.542 -6.108 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -9.164 -5.697 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -10.712 -5.188 -5.233 1.00 0.00 H new ATOM 1322 N LYS A 204 -9.797 -0.952 -6.025 1.00 0.00 N ATOM 1323 CA LYS A 204 -9.736 0.389 -6.564 1.00 0.00 C ATOM 1324 C LYS A 204 -9.360 1.416 -5.486 1.00 0.00 C ATOM 1325 O LYS A 204 -8.540 2.294 -5.750 1.00 0.00 O ATOM 1326 CB LYS A 204 -11.123 0.649 -7.169 1.00 0.00 C ATOM 1327 CG LYS A 204 -11.413 -0.232 -8.408 1.00 0.00 C ATOM 1328 CD LYS A 204 -10.833 0.479 -9.633 1.00 0.00 C ATOM 1329 CE LYS A 204 -10.739 -0.417 -10.869 1.00 0.00 C ATOM 1330 NZ LYS A 204 -9.468 -1.166 -10.902 1.00 0.00 N ATOM 0 H LYS A 204 -10.707 -1.391 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 204 -8.957 0.488 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 204 -11.885 0.464 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 204 -11.201 1.699 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 204 -10.963 -1.218 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 204 -12.486 -0.383 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 204 -11.452 1.345 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 204 -9.839 0.854 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 204 -11.575 -1.117 -10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 204 -10.826 0.193 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 -9.439 -1.763 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 -8.671 -0.498 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 -9.397 -1.766 -10.056 1.00 0.00 H new ATOM 1344 N MET A 205 -9.920 1.308 -4.279 1.00 0.00 N ATOM 1345 CA MET A 205 -9.523 2.118 -3.129 1.00 0.00 C ATOM 1346 C MET A 205 -8.129 1.720 -2.653 1.00 0.00 C ATOM 1347 O MET A 205 -7.315 2.582 -2.322 1.00 0.00 O ATOM 1348 CB MET A 205 -10.500 1.934 -1.952 1.00 0.00 C ATOM 1349 CG MET A 205 -11.932 2.335 -2.284 1.00 0.00 C ATOM 1350 SD MET A 205 -12.106 4.112 -2.523 1.00 0.00 S ATOM 1351 CE MET A 205 -13.711 4.158 -3.334 1.00 0.00 C ATOM 0 H MET A 205 -10.670 0.648 -4.072 1.00 0.00 H new ATOM 0 HA MET A 205 -9.532 3.159 -3.451 1.00 0.00 H new ATOM 0 HB2 MET A 205 -10.487 0.890 -1.638 1.00 0.00 H new ATOM 0 HB3 MET A 205 -10.152 2.526 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 205 -12.252 1.816 -3.187 1.00 0.00 H new ATOM 0 HG3 MET A 205 -12.593 2.012 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 205 -13.774 5.044 -3.965 1.00 0.00 H new ATOM 0 HE2 MET A 205 -13.834 3.266 -3.948 1.00 0.00 H new ATOM 0 HE3 MET A 205 -14.498 4.192 -2.581 1.00 0.00 H new ATOM 1361 N MET A 206 -7.853 0.419 -2.568 1.00 0.00 N ATOM 1362 CA MET A 206 -6.625 -0.077 -1.983 1.00 0.00 C ATOM 1363 C MET A 206 -5.414 0.287 -2.840 1.00 0.00 C ATOM 1364 O MET A 206 -4.353 0.546 -2.281 1.00 0.00 O ATOM 1365 CB MET A 206 -6.723 -1.580 -1.707 1.00 0.00 C ATOM 1366 CG MET A 206 -5.382 -2.120 -1.205 1.00 0.00 C ATOM 1367 SD MET A 206 -5.354 -3.601 -0.147 1.00 0.00 S ATOM 1368 CE MET A 206 -6.964 -4.353 -0.487 1.00 0.00 C ATOM 0 H MET A 206 -8.478 -0.313 -2.904 1.00 0.00 H new ATOM 0 HA MET A 206 -6.479 0.414 -1.021 1.00 0.00 H new ATOM 0 HB2 MET A 206 -7.499 -1.770 -0.966 1.00 0.00 H new ATOM 0 HB3 MET A 206 -7.016 -2.105 -2.616 1.00 0.00 H new ATOM 0 HG2 MET A 206 -4.767 -2.331 -2.079 1.00 0.00 H new ATOM 0 HG3 MET A 206 -4.891 -1.317 -0.656 1.00 0.00 H new ATOM 0 HE1 MET A 206 -6.976 -5.374 -0.107 1.00 0.00 H new ATOM 0 HE2 MET A 206 -7.747 -3.774 0.003 1.00 0.00 H new ATOM 0 HE3 MET A 206 -7.140 -4.364 -1.563 1.00 0.00 H new ATOM 1378 N GLU A 207 -5.553 0.380 -4.164 1.00 0.00 N ATOM 1379 CA GLU A 207 -4.473 0.870 -5.008 1.00 0.00 C ATOM 1380 C GLU A 207 -4.082 2.263 -4.534 1.00 0.00 C ATOM 1381 O GLU A 207 -2.902 2.556 -4.396 1.00 0.00 O ATOM 1382 CB GLU A 207 -4.863 0.949 -6.491 1.00 0.00 C ATOM 1383 CG GLU A 207 -5.038 -0.425 -7.142 1.00 0.00 C ATOM 1384 CD GLU A 207 -4.569 -0.470 -8.595 1.00 0.00 C ATOM 1385 OE1 GLU A 207 -3.355 -0.319 -8.861 1.00 0.00 O ATOM 1386 OE2 GLU A 207 -5.449 -0.692 -9.458 1.00 0.00 O ATOM 0 H GLU A 207 -6.401 0.122 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 207 -3.646 0.165 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -5.793 1.510 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -4.098 1.506 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -4.484 -1.166 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -6.089 -0.709 -7.098 1.00 0.00 H new ATOM 1393 N ARG A 208 -5.070 3.115 -4.244 1.00 0.00 N ATOM 1394 CA ARG A 208 -4.831 4.510 -3.905 1.00 0.00 C ATOM 1395 C ARG A 208 -4.124 4.587 -2.565 1.00 0.00 C ATOM 1396 O ARG A 208 -3.142 5.320 -2.420 1.00 0.00 O ATOM 1397 CB ARG A 208 -6.153 5.283 -3.827 1.00 0.00 C ATOM 1398 CG ARG A 208 -6.884 5.457 -5.163 1.00 0.00 C ATOM 1399 CD ARG A 208 -6.622 6.846 -5.740 1.00 0.00 C ATOM 1400 NE ARG A 208 -5.311 6.943 -6.404 1.00 0.00 N ATOM 1401 CZ ARG A 208 -5.046 7.515 -7.584 1.00 0.00 C ATOM 1402 NH1 ARG A 208 -6.014 8.012 -8.344 1.00 0.00 N ATOM 1403 NH2 ARG A 208 -3.793 7.582 -8.010 1.00 0.00 N ATOM 0 H ARG A 208 -6.055 2.851 -4.239 1.00 0.00 H new ATOM 0 HA ARG A 208 -4.210 4.957 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 208 -6.816 4.768 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 208 -5.955 6.269 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 208 -6.551 4.695 -5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 208 -7.955 5.313 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 208 -7.407 7.093 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 208 -6.676 7.584 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 208 -4.520 6.529 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 208 -6.984 7.962 -8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 208 -5.788 8.444 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 208 -3.039 7.199 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 208 -3.582 8.016 -8.908 1.00 0.00 H new ATOM 1417 N VAL A 209 -4.668 3.871 -1.586 1.00 0.00 N ATOM 1418 CA VAL A 209 -4.155 3.855 -0.227 1.00 0.00 C ATOM 1419 C VAL A 209 -2.722 3.306 -0.208 1.00 0.00 C ATOM 1420 O VAL A 209 -1.819 3.982 0.282 1.00 0.00 O ATOM 1421 CB VAL A 209 -5.177 3.153 0.704 1.00 0.00 C ATOM 1422 CG1 VAL A 209 -4.962 1.663 0.981 1.00 0.00 C ATOM 1423 CG2 VAL A 209 -5.239 3.861 2.051 1.00 0.00 C ATOM 0 H VAL A 209 -5.488 3.279 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 209 -4.056 4.862 0.179 1.00 0.00 H new ATOM 0 HB VAL A 209 -6.105 3.221 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 209 -5.746 1.299 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 209 -4.996 1.110 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 209 -3.990 1.517 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 209 -5.961 3.357 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 209 -4.256 3.837 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 209 -5.545 4.897 1.904 1.00 0.00 H new ATOM 1433 N VAL A 210 -2.481 2.125 -0.787 1.00 0.00 N ATOM 1434 CA VAL A 210 -1.174 1.482 -0.769 1.00 0.00 C ATOM 1435 C VAL A 210 -0.174 2.291 -1.605 1.00 0.00 C ATOM 1436 O VAL A 210 1.008 2.281 -1.281 1.00 0.00 O ATOM 1437 CB VAL A 210 -1.315 0.000 -1.190 1.00 0.00 C ATOM 1438 CG1 VAL A 210 0.018 -0.722 -1.420 1.00 0.00 C ATOM 1439 CG2 VAL A 210 -2.066 -0.798 -0.110 1.00 0.00 C ATOM 0 H VAL A 210 -3.194 1.590 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 210 -0.764 1.469 0.241 1.00 0.00 H new ATOM 0 HB VAL A 210 -1.857 0.036 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -0.173 -1.755 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 210 0.573 -0.218 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 210 0.603 -0.707 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -2.156 -1.838 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -1.515 -0.748 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -3.060 -0.374 0.030 1.00 0.00 H new ATOM 1449 N GLU A 211 -0.619 3.045 -2.614 1.00 0.00 N ATOM 1450 CA GLU A 211 0.199 3.934 -3.412 1.00 0.00 C ATOM 1451 C GLU A 211 0.694 5.045 -2.488 1.00 0.00 C ATOM 1452 O GLU A 211 1.887 5.087 -2.225 1.00 0.00 O ATOM 1453 CB GLU A 211 -0.625 4.417 -4.613 1.00 0.00 C ATOM 1454 CG GLU A 211 0.027 5.481 -5.486 1.00 0.00 C ATOM 1455 CD GLU A 211 -1.051 6.364 -6.116 1.00 0.00 C ATOM 1456 OE1 GLU A 211 -1.916 5.886 -6.883 1.00 0.00 O ATOM 1457 OE2 GLU A 211 -1.123 7.552 -5.720 1.00 0.00 O ATOM 0 H GLU A 211 -1.598 3.046 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 211 1.079 3.450 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -0.858 3.555 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -1.573 4.809 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.705 6.090 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 211 0.625 5.009 -6.265 1.00 0.00 H new ATOM 1464 N GLN A 212 -0.180 5.897 -1.929 1.00 0.00 N ATOM 1465 CA GLN A 212 0.171 6.907 -0.925 1.00 0.00 C ATOM 1466 C GLN A 212 1.097 6.363 0.173 1.00 0.00 C ATOM 1467 O GLN A 212 2.074 7.022 0.550 1.00 0.00 O ATOM 1468 CB GLN A 212 -1.122 7.402 -0.266 1.00 0.00 C ATOM 1469 CG GLN A 212 -2.076 8.121 -1.220 1.00 0.00 C ATOM 1470 CD GLN A 212 -2.041 9.627 -1.039 1.00 0.00 C ATOM 1471 OE1 GLN A 212 -2.345 10.167 0.023 1.00 0.00 O ATOM 1472 NE2 GLN A 212 -1.643 10.330 -2.072 1.00 0.00 N ATOM 0 H GLN A 212 -1.171 5.901 -2.170 1.00 0.00 H new ATOM 0 HA GLN A 212 0.705 7.708 -1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -1.641 6.551 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -0.865 8.077 0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -1.813 7.874 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -3.091 7.761 -1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -1.396 9.861 -2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -1.581 11.346 -2.004 1.00 0.00 H new ATOM 1481 N MET A 213 0.800 5.160 0.671 1.00 0.00 N ATOM 1482 CA MET A 213 1.598 4.533 1.713 1.00 0.00 C ATOM 1483 C MET A 213 3.003 4.257 1.177 1.00 0.00 C ATOM 1484 O MET A 213 3.976 4.722 1.770 1.00 0.00 O ATOM 1485 CB MET A 213 0.894 3.273 2.235 1.00 0.00 C ATOM 1486 CG MET A 213 -0.257 3.635 3.187 1.00 0.00 C ATOM 1487 SD MET A 213 -1.695 2.523 3.229 1.00 0.00 S ATOM 1488 CE MET A 213 -0.924 0.889 3.290 1.00 0.00 C ATOM 0 H MET A 213 0.004 4.601 0.362 1.00 0.00 H new ATOM 0 HA MET A 213 1.702 5.203 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 213 0.507 2.695 1.396 1.00 0.00 H new ATOM 0 HB3 MET A 213 1.613 2.640 2.754 1.00 0.00 H new ATOM 0 HG2 MET A 213 0.149 3.698 4.197 1.00 0.00 H new ATOM 0 HG3 MET A 213 -0.611 4.632 2.923 1.00 0.00 H new ATOM 0 HE1 MET A 213 -1.657 0.153 3.618 1.00 0.00 H new ATOM 0 HE2 MET A 213 -0.560 0.621 2.298 1.00 0.00 H new ATOM 0 HE3 MET A 213 -0.089 0.907 3.990 1.00 0.00 H new ATOM 1498 N CYS A 214 3.139 3.563 0.045 1.00 0.00 N ATOM 1499 CA CYS A 214 4.439 3.306 -0.557 1.00 0.00 C ATOM 1500 C CYS A 214 5.139 4.577 -1.028 1.00 0.00 C ATOM 1501 O CYS A 214 6.360 4.603 -0.999 1.00 0.00 O ATOM 1502 CB CYS A 214 4.368 2.253 -1.666 1.00 0.00 C ATOM 1503 SG CYS A 214 5.217 0.741 -1.155 1.00 0.00 S ATOM 0 H CYS A 214 2.354 3.168 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 214 5.057 2.892 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 214 3.327 2.032 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 214 4.823 2.643 -2.576 1.00 0.00 H new ATOM 1508 N VAL A 215 4.427 5.642 -1.393 1.00 0.00 N ATOM 1509 CA VAL A 215 5.006 6.948 -1.679 1.00 0.00 C ATOM 1510 C VAL A 215 5.727 7.443 -0.418 1.00 0.00 C ATOM 1511 O VAL A 215 6.882 7.853 -0.502 1.00 0.00 O ATOM 1512 CB VAL A 215 3.909 7.914 -2.184 1.00 0.00 C ATOM 1513 CG1 VAL A 215 4.387 9.368 -2.245 1.00 0.00 C ATOM 1514 CG2 VAL A 215 3.366 7.542 -3.572 1.00 0.00 C ATOM 0 H VAL A 215 3.413 5.618 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 215 5.743 6.889 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 215 3.111 7.816 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 215 3.577 10.002 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 215 4.687 9.694 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 215 5.237 9.443 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 215 2.600 8.259 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 215 4.179 7.560 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 215 2.933 6.542 -3.537 1.00 0.00 H new ATOM 1524 N THR A 216 5.094 7.399 0.757 1.00 0.00 N ATOM 1525 CA THR A 216 5.759 7.818 1.988 1.00 0.00 C ATOM 1526 C THR A 216 6.886 6.845 2.358 1.00 0.00 C ATOM 1527 O THR A 216 7.963 7.302 2.726 1.00 0.00 O ATOM 1528 CB THR A 216 4.721 7.922 3.125 1.00 0.00 C ATOM 1529 OG1 THR A 216 3.745 8.909 2.817 1.00 0.00 O ATOM 1530 CG2 THR A 216 5.365 8.251 4.479 1.00 0.00 C ATOM 0 H THR A 216 4.133 7.081 0.879 1.00 0.00 H new ATOM 0 HA THR A 216 6.211 8.798 1.833 1.00 0.00 H new ATOM 0 HB THR A 216 4.249 6.943 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 216 3.092 8.963 3.546 1.00 0.00 H new ATOM 0 HG21 THR A 216 4.591 8.313 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 216 6.076 7.468 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 216 5.886 9.206 4.412 1.00 0.00 H new ATOM 1538 N GLN A 217 6.667 5.528 2.284 1.00 0.00 N ATOM 1539 CA GLN A 217 7.687 4.536 2.620 1.00 0.00 C ATOM 1540 C GLN A 217 8.922 4.710 1.719 1.00 0.00 C ATOM 1541 O GLN A 217 10.055 4.631 2.194 1.00 0.00 O ATOM 1542 CB GLN A 217 7.094 3.111 2.520 1.00 0.00 C ATOM 1543 CG GLN A 217 6.873 2.358 3.846 1.00 0.00 C ATOM 1544 CD GLN A 217 7.952 2.532 4.915 1.00 0.00 C ATOM 1545 OE1 GLN A 217 7.648 2.804 6.067 1.00 0.00 O ATOM 1546 NE2 GLN A 217 9.218 2.369 4.600 1.00 0.00 N ATOM 0 H GLN A 217 5.778 5.123 1.990 1.00 0.00 H new ATOM 0 HA GLN A 217 8.013 4.688 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 217 6.137 3.176 2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 217 7.754 2.511 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 217 5.920 2.680 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 217 6.781 1.295 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 217 9.480 2.142 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 217 9.938 2.470 5.315 1.00 0.00 H new ATOM 1555 N TYR A 218 8.706 5.004 0.436 1.00 0.00 N ATOM 1556 CA TYR A 218 9.735 5.334 -0.534 1.00 0.00 C ATOM 1557 C TYR A 218 10.486 6.590 -0.106 1.00 0.00 C ATOM 1558 O TYR A 218 11.711 6.565 -0.048 1.00 0.00 O ATOM 1559 CB TYR A 218 9.097 5.527 -1.916 1.00 0.00 C ATOM 1560 CG TYR A 218 10.055 5.936 -3.010 1.00 0.00 C ATOM 1561 CD1 TYR A 218 11.282 5.269 -3.160 1.00 0.00 C ATOM 1562 CD2 TYR A 218 9.723 6.994 -3.874 1.00 0.00 C ATOM 1563 CE1 TYR A 218 12.178 5.675 -4.157 1.00 0.00 C ATOM 1564 CE2 TYR A 218 10.599 7.362 -4.908 1.00 0.00 C ATOM 1565 CZ TYR A 218 11.825 6.687 -5.067 1.00 0.00 C ATOM 1566 OH TYR A 218 12.658 6.983 -6.100 1.00 0.00 O ATOM 0 H TYR A 218 7.769 5.017 0.034 1.00 0.00 H new ATOM 0 HA TYR A 218 10.452 4.515 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 218 8.611 4.596 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 218 8.316 6.283 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 218 11.534 4.445 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 218 8.792 7.525 -3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 218 13.149 5.207 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 218 10.333 8.163 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 218 12.269 7.704 -6.638 1.00 0.00 H new ATOM 1576 N GLN A 219 9.773 7.676 0.208 1.00 0.00 N ATOM 1577 CA GLN A 219 10.374 8.920 0.680 1.00 0.00 C ATOM 1578 C GLN A 219 11.235 8.676 1.924 1.00 0.00 C ATOM 1579 O GLN A 219 12.396 9.076 1.956 1.00 0.00 O ATOM 1580 CB GLN A 219 9.277 9.967 0.935 1.00 0.00 C ATOM 1581 CG GLN A 219 8.740 10.511 -0.392 1.00 0.00 C ATOM 1582 CD GLN A 219 7.689 11.602 -0.231 1.00 0.00 C ATOM 1583 OE1 GLN A 219 7.797 12.487 0.616 1.00 0.00 O ATOM 1584 NE2 GLN A 219 6.665 11.588 -1.071 1.00 0.00 N ATOM 0 H GLN A 219 8.756 7.713 0.140 1.00 0.00 H new ATOM 0 HA GLN A 219 11.038 9.310 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 219 8.464 9.520 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 219 9.678 10.784 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 219 9.572 10.905 -0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 219 8.311 9.688 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 219 6.588 10.848 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 219 5.954 12.317 -1.020 1.00 0.00 H new ATOM 1593 N LYS A 220 10.696 7.984 2.928 1.00 0.00 N ATOM 1594 CA LYS A 220 11.367 7.598 4.159 1.00 0.00 C ATOM 1595 C LYS A 220 12.663 6.869 3.819 1.00 0.00 C ATOM 1596 O LYS A 220 13.714 7.398 4.164 1.00 0.00 O ATOM 1597 CB LYS A 220 10.431 6.744 5.035 1.00 0.00 C ATOM 1598 CG LYS A 220 9.355 7.547 5.787 1.00 0.00 C ATOM 1599 CD LYS A 220 8.207 6.651 6.285 1.00 0.00 C ATOM 1600 CE LYS A 220 8.603 5.530 7.260 1.00 0.00 C ATOM 1601 NZ LYS A 220 8.406 5.872 8.684 1.00 0.00 N ATOM 0 H LYS A 220 9.728 7.663 2.898 1.00 0.00 H new ATOM 0 HA LYS A 220 11.621 8.486 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 220 9.940 6.003 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 220 11.032 6.197 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 220 9.811 8.057 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 220 8.953 8.318 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 220 7.464 7.283 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 220 7.723 6.199 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 220 8.021 4.638 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 220 9.651 5.277 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 220 8.695 5.068 9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 220 8.982 6.704 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 220 7.402 6.085 8.854 1.00 0.00 H new ATOM 1615 N GLU A 221 12.638 5.721 3.136 1.00 0.00 N ATOM 1616 CA GLU A 221 13.865 4.984 2.824 1.00 0.00 C ATOM 1617 C GLU A 221 14.818 5.843 1.993 1.00 0.00 C ATOM 1618 O GLU A 221 16.002 5.883 2.301 1.00 0.00 O ATOM 1619 CB GLU A 221 13.559 3.720 2.021 1.00 0.00 C ATOM 1620 CG GLU A 221 12.853 2.584 2.770 1.00 0.00 C ATOM 1621 CD GLU A 221 13.798 1.621 3.490 1.00 0.00 C ATOM 1622 OE1 GLU A 221 14.811 1.190 2.899 1.00 0.00 O ATOM 1623 OE2 GLU A 221 13.456 1.131 4.587 1.00 0.00 O ATOM 0 H GLU A 221 11.784 5.283 2.790 1.00 0.00 H new ATOM 0 HA GLU A 221 14.326 4.719 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 221 12.942 4.000 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 221 14.497 3.334 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 221 12.169 3.016 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 221 12.248 2.019 2.061 1.00 0.00 H new ATOM 1630 N SER A 222 14.330 6.528 0.953 1.00 0.00 N ATOM 1631 CA SER A 222 15.151 7.360 0.082 1.00 0.00 C ATOM 1632 C SER A 222 15.922 8.382 0.897 1.00 0.00 C ATOM 1633 O SER A 222 17.138 8.493 0.739 1.00 0.00 O ATOM 1634 CB SER A 222 14.301 8.093 -0.958 1.00 0.00 C ATOM 1635 OG SER A 222 13.921 7.204 -1.985 1.00 0.00 O ATOM 0 H SER A 222 13.343 6.517 0.694 1.00 0.00 H new ATOM 0 HA SER A 222 15.846 6.698 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 222 13.414 8.514 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A 222 14.864 8.927 -1.378 1.00 0.00 H new ATOM 0 HG SER A 222 13.123 6.706 -1.708 1.00 0.00 H new ATOM 1641 N GLN A 223 15.232 9.118 1.769 1.00 0.00 N ATOM 1642 CA GLN A 223 15.877 10.084 2.618 1.00 0.00 C ATOM 1643 C GLN A 223 16.814 9.359 3.585 1.00 0.00 C ATOM 1644 O GLN A 223 17.947 9.779 3.763 1.00 0.00 O ATOM 1645 CB GLN A 223 14.802 10.955 3.280 1.00 0.00 C ATOM 1646 CG GLN A 223 15.147 11.476 4.677 1.00 0.00 C ATOM 1647 CD GLN A 223 14.779 10.565 5.855 1.00 0.00 C ATOM 1648 OE1 GLN A 223 13.753 9.738 5.725 1.00 0.00 O flip ATOM 1649 NE2 GLN A 223 15.348 10.658 6.938 1.00 0.00 N flip ATOM 0 H GLN A 223 14.222 9.053 1.896 1.00 0.00 H new ATOM 0 HA GLN A 223 16.513 10.769 2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 223 14.600 11.808 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 223 13.879 10.378 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 223 16.219 11.667 4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 223 14.647 12.434 4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 223 16.139 11.293 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 223 15.030 10.100 7.731 1.00 0.00 H new ATOM 1658 N ALA A 224 16.387 8.268 4.209 1.00 0.00 N ATOM 1659 CA ALA A 224 17.182 7.567 5.198 1.00 0.00 C ATOM 1660 C ALA A 224 18.457 6.973 4.569 1.00 0.00 C ATOM 1661 O ALA A 224 19.467 6.843 5.250 1.00 0.00 O ATOM 1662 CB ALA A 224 16.291 6.529 5.898 1.00 0.00 C ATOM 0 H ALA A 224 15.474 7.846 4.039 1.00 0.00 H new ATOM 0 HA ALA A 224 17.542 8.259 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 224 16.875 5.993 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 224 15.456 7.034 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 224 15.908 5.822 5.162 1.00 0.00 H new ATOM 1668 N ALA A 225 18.467 6.672 3.273 1.00 0.00 N ATOM 1669 CA ALA A 225 19.648 6.265 2.531 1.00 0.00 C ATOM 1670 C ALA A 225 20.508 7.495 2.222 1.00 0.00 C ATOM 1671 O ALA A 225 21.695 7.524 2.552 1.00 0.00 O ATOM 1672 CB ALA A 225 19.228 5.532 1.250 1.00 0.00 C ATOM 0 H ALA A 225 17.626 6.707 2.697 1.00 0.00 H new ATOM 0 HA ALA A 225 20.245 5.577 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 225 20.117 5.229 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 225 18.644 4.649 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 225 18.625 6.197 0.632 1.00 0.00 H new ATOM 1678 N ALA A 226 19.912 8.504 1.584 1.00 0.00 N ATOM 1679 CA ALA A 226 20.589 9.677 1.051 1.00 0.00 C ATOM 1680 C ALA A 226 21.120 10.589 2.141 1.00 0.00 C ATOM 1681 O ALA A 226 22.313 10.884 2.170 1.00 0.00 O ATOM 1682 CB ALA A 226 19.631 10.441 0.144 1.00 0.00 C ATOM 0 H ALA A 226 18.905 8.523 1.421 1.00 0.00 H new ATOM 0 HA ALA A 226 21.453 9.333 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 226 20.134 11.321 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 226 19.316 9.797 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 226 18.758 10.752 0.717 1.00 0.00 H new ATOM 1688 N ASP A 227 20.249 11.016 3.053 1.00 0.00 N ATOM 1689 CA ASP A 227 20.628 11.794 4.218 1.00 0.00 C ATOM 1690 C ASP A 227 21.455 10.909 5.157 1.00 0.00 C ATOM 1691 O ASP A 227 22.155 11.425 6.029 1.00 0.00 O ATOM 1692 CB ASP A 227 19.407 12.327 5.001 1.00 0.00 C ATOM 1693 CG ASP A 227 18.537 13.399 4.334 1.00 0.00 C ATOM 1694 OD1 ASP A 227 18.198 13.314 3.129 1.00 0.00 O ATOM 1695 OD2 ASP A 227 18.086 14.317 5.055 1.00 0.00 O ATOM 0 H ASP A 227 19.248 10.826 2.998 1.00 0.00 H new ATOM 0 HA ASP A 227 21.199 12.652 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 227 18.767 11.478 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 227 19.767 12.730 5.947 1.00 0.00 H new ATOM 1700 N GLY A 228 21.380 9.579 4.994 1.00 0.00 N ATOM 1701 CA GLY A 228 22.105 8.597 5.787 1.00 0.00 C ATOM 1702 C GLY A 228 21.361 8.225 7.067 1.00 0.00 C ATOM 1703 O GLY A 228 21.855 7.421 7.860 1.00 0.00 O ATOM 0 H GLY A 228 20.790 9.152 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 228 22.268 7.700 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 228 23.088 8.993 6.042 1.00 0.00 H new ATOM 1707 N ARG A 229 20.144 8.750 7.259 1.00 0.00 N ATOM 1708 CA ARG A 229 19.337 8.609 8.467 1.00 0.00 C ATOM 1709 C ARG A 229 18.666 7.237 8.581 1.00 0.00 C ATOM 1710 O ARG A 229 17.587 7.147 9.161 1.00 0.00 O ATOM 1711 CB ARG A 229 18.324 9.772 8.512 1.00 0.00 C ATOM 1712 CG ARG A 229 18.972 11.164 8.405 1.00 0.00 C ATOM 1713 CD ARG A 229 19.956 11.448 9.537 1.00 0.00 C ATOM 1714 NE ARG A 229 19.252 11.656 10.803 1.00 0.00 N ATOM 1715 CZ ARG A 229 19.722 11.474 12.035 1.00 0.00 C ATOM 1716 NH1 ARG A 229 20.993 11.117 12.247 1.00 0.00 N ATOM 1717 NH2 ARG A 229 18.863 11.632 13.029 1.00 0.00 N ATOM 0 H ARG A 229 19.679 9.308 6.543 1.00 0.00 H new ATOM 0 HA ARG A 229 19.989 8.664 9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 229 17.609 9.651 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 229 17.760 9.715 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 229 19.491 11.246 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 229 18.191 11.924 8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 229 20.652 10.615 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 229 20.548 12.331 9.296 1.00 0.00 H new ATOM 0 HE ARG A 229 18.287 11.979 10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 229 21.623 10.979 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 229 21.333 10.983 13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 229 17.894 11.881 12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 229 19.170 11.505 13.993 1.00 0.00 H new