USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 467 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 135 HIS : no HD1:sc= -1.78! C(o=-1.9!,f=-7.9!) USER MOD Set 1.2: A 157 GLN : amide:sc= -0.101 K(o=-1.9,f=-6.1!) USER MOD Set 2.1: A 139 SER OG : rot 117:sc= -3.7! USER MOD Set 2.2: A 142 SER OG : rot -123:sc= 0.888 USER MOD Set 2.3: A 151 THR OG1 : rot -110:sc= 1.25 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -1.66! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2.03! K(o=-2!,f=-0.077) USER MOD Single : A 110 LYS NZ :NH3+ 167:sc= -0.0256 (180deg=-0.206) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -136:sc= -0.103 (180deg=-1.2) USER MOD Single : A 155 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-1.4) USER MOD Single : A 159 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 17.075 0.720 -7.646 1.00 0.00 N ATOM 80 CA ARG A 97 15.991 0.007 -6.977 1.00 0.00 C ATOM 81 C ARG A 97 15.584 0.708 -5.683 1.00 0.00 C ATOM 82 O ARG A 97 16.431 1.040 -4.854 1.00 0.00 O ATOM 83 CB ARG A 97 16.411 -1.436 -6.679 1.00 0.00 C ATOM 84 CG ARG A 97 17.629 -1.544 -5.776 1.00 0.00 C ATOM 85 CD ARG A 97 18.006 -2.994 -5.516 1.00 0.00 C ATOM 86 NE ARG A 97 19.172 -3.110 -4.645 1.00 0.00 N ATOM 87 CZ ARG A 97 19.692 -4.271 -4.260 1.00 0.00 C ATOM 88 NH1 ARG A 97 19.157 -5.412 -4.673 1.00 0.00 N ATOM 89 NH2 ARG A 97 20.752 -4.291 -3.462 1.00 0.00 N ATOM 0 HA ARG A 97 15.131 0.000 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 97 15.576 -1.959 -6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.621 -1.946 -7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.470 -1.025 -6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.426 -1.045 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.161 -3.512 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.211 -3.490 -6.464 1.00 0.00 H new ATOM 0 HE ARG A 97 19.612 -2.252 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.344 -5.401 -5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.559 -6.301 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.168 -3.415 -3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.151 -5.182 -3.166 1.00 0.00 H new ATOM 103 N ILE A 98 14.279 0.917 -5.517 1.00 0.00 N ATOM 104 CA ILE A 98 13.741 1.569 -4.327 1.00 0.00 C ATOM 105 C ILE A 98 12.272 1.209 -4.122 1.00 0.00 C ATOM 106 O ILE A 98 11.451 2.070 -3.804 1.00 0.00 O ATOM 107 CB ILE A 98 13.865 3.108 -4.398 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.293 3.628 -5.718 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.313 3.545 -4.223 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.296 5.138 -5.828 1.00 0.00 C ATOM 0 H ILE A 98 13.571 0.641 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 98 14.334 1.207 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 98 13.286 3.538 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.870 3.211 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.271 3.266 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.374 4.632 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.680 3.209 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.923 3.108 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.876 5.434 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.695 5.563 -5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.319 5.506 -5.750 1.00 0.00 H new ATOM 122 N CYS A 99 11.954 -0.073 -4.299 1.00 0.00 N ATOM 123 CA CYS A 99 10.588 -0.564 -4.131 1.00 0.00 C ATOM 124 C CYS A 99 9.627 0.083 -5.128 1.00 0.00 C ATOM 125 O CYS A 99 9.707 1.280 -5.400 1.00 0.00 O ATOM 126 CB CYS A 99 10.112 -0.310 -2.702 1.00 0.00 C ATOM 127 SG CYS A 99 10.931 -1.349 -1.448 1.00 0.00 S ATOM 0 H CYS A 99 12.628 -0.793 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 99 10.594 -1.636 -4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.280 0.738 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.037 -0.480 -2.653 1.00 0.00 H new ATOM 132 N SER A 100 8.721 -0.728 -5.670 1.00 0.00 N ATOM 133 CA SER A 100 7.738 -0.251 -6.639 1.00 0.00 C ATOM 134 C SER A 100 7.060 1.030 -6.160 1.00 0.00 C ATOM 135 O SER A 100 6.603 1.115 -5.019 1.00 0.00 O ATOM 136 CB SER A 100 6.685 -1.330 -6.902 1.00 0.00 C ATOM 137 OG SER A 100 7.277 -2.507 -7.422 1.00 0.00 O ATOM 0 H SER A 100 8.648 -1.722 -5.453 1.00 0.00 H new ATOM 0 HA SER A 100 8.266 -0.029 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.160 -1.563 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.941 -0.953 -7.604 1.00 0.00 H new ATOM 0 HG SER A 100 6.583 -3.180 -7.579 1.00 0.00 H new ATOM 143 N LYS A 101 7.001 2.022 -7.044 1.00 0.00 N ATOM 144 CA LYS A 101 6.380 3.305 -6.729 1.00 0.00 C ATOM 145 C LYS A 101 4.868 3.248 -6.933 1.00 0.00 C ATOM 146 O LYS A 101 4.117 3.975 -6.281 1.00 0.00 O ATOM 147 CB LYS A 101 6.983 4.410 -7.598 1.00 0.00 C ATOM 148 CG LYS A 101 6.833 4.162 -9.092 1.00 0.00 C ATOM 149 CD LYS A 101 7.456 5.279 -9.913 1.00 0.00 C ATOM 150 CE LYS A 101 6.783 6.618 -9.646 1.00 0.00 C ATOM 151 NZ LYS A 101 7.404 7.718 -10.433 1.00 0.00 N ATOM 0 H LYS A 101 7.378 1.961 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 101 6.575 3.527 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.508 5.358 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.042 4.511 -7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.303 3.214 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.776 4.073 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.518 5.353 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.378 5.038 -10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.724 6.548 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.847 6.851 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.917 8.613 -10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.409 7.802 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.320 7.509 -11.448 1.00 0.00 H new ATOM 165 N SER A 102 4.433 2.390 -7.851 1.00 0.00 N ATOM 166 CA SER A 102 3.013 2.242 -8.160 1.00 0.00 C ATOM 167 C SER A 102 2.191 1.972 -6.901 1.00 0.00 C ATOM 168 O SER A 102 1.054 2.431 -6.786 1.00 0.00 O ATOM 169 CB SER A 102 2.808 1.110 -9.166 1.00 0.00 C ATOM 170 OG SER A 102 3.289 -0.121 -8.656 1.00 0.00 O ATOM 0 H SER A 102 5.046 1.784 -8.396 1.00 0.00 H new ATOM 0 HA SER A 102 2.668 3.181 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.748 1.019 -9.404 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.324 1.348 -10.096 1.00 0.00 H new ATOM 0 HG SER A 102 3.144 -0.829 -9.318 1.00 0.00 H new ATOM 176 N TYR A 103 2.769 1.226 -5.965 1.00 0.00 N ATOM 177 CA TYR A 103 2.086 0.896 -4.716 1.00 0.00 C ATOM 178 C TYR A 103 1.524 2.144 -4.042 1.00 0.00 C ATOM 179 O TYR A 103 0.448 2.103 -3.444 1.00 0.00 O ATOM 180 CB TYR A 103 3.037 0.171 -3.760 1.00 0.00 C ATOM 181 CG TYR A 103 3.285 -1.279 -4.118 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.384 -1.689 -5.443 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.417 -2.242 -3.124 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.607 -3.015 -5.766 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.641 -3.568 -3.439 1.00 0.00 C ATOM 186 CZ TYR A 103 3.734 -3.950 -4.760 1.00 0.00 C ATOM 187 OH TYR A 103 3.958 -5.269 -5.077 1.00 0.00 O ATOM 0 H TYR A 103 3.709 0.838 -6.046 1.00 0.00 H new ATOM 0 HA TYR A 103 1.253 0.237 -4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.991 0.698 -3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.628 0.220 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.285 -0.960 -6.233 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.343 -1.948 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.681 -3.317 -6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.743 -4.302 -2.654 1.00 0.00 H new ATOM 0 HH TYR A 103 4.718 -5.606 -4.558 1.00 0.00 H new ATOM 197 N LEU A 104 2.255 3.251 -4.141 1.00 0.00 N ATOM 198 CA LEU A 104 1.824 4.508 -3.537 1.00 0.00 C ATOM 199 C LEU A 104 0.413 4.874 -3.987 1.00 0.00 C ATOM 200 O LEU A 104 -0.421 5.280 -3.177 1.00 0.00 O ATOM 201 CB LEU A 104 2.795 5.632 -3.903 1.00 0.00 C ATOM 202 CG LEU A 104 4.245 5.411 -3.462 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.120 6.572 -3.908 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.323 5.231 -1.953 1.00 0.00 C ATOM 0 H LEU A 104 3.147 3.303 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 104 1.818 4.378 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.778 5.768 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.435 6.560 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 104 4.614 4.501 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.147 6.398 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.089 6.654 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.752 7.497 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.361 5.075 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.936 6.122 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.728 4.366 -1.659 1.00 0.00 H new ATOM 216 N THR A 105 0.154 4.728 -5.283 1.00 0.00 N ATOM 217 CA THR A 105 -1.156 5.043 -5.843 1.00 0.00 C ATOM 218 C THR A 105 -2.054 3.809 -5.878 1.00 0.00 C ATOM 219 O THR A 105 -1.629 2.732 -6.296 1.00 0.00 O ATOM 220 CB THR A 105 -1.034 5.614 -7.269 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.239 6.805 -7.254 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.406 5.923 -7.850 1.00 0.00 C ATOM 0 H THR A 105 0.834 4.393 -5.965 1.00 0.00 H new ATOM 0 HA THR A 105 -1.603 5.795 -5.193 1.00 0.00 H new ATOM 0 HB THR A 105 -0.553 4.863 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.165 7.160 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.293 6.325 -8.857 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.999 5.009 -7.889 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.911 6.657 -7.221 1.00 0.00 H new ATOM 230 N LEU A 106 -3.298 3.976 -5.440 1.00 0.00 N ATOM 231 CA LEU A 106 -4.260 2.880 -5.426 1.00 0.00 C ATOM 232 C LEU A 106 -5.666 3.393 -5.722 1.00 0.00 C ATOM 233 O LEU A 106 -6.108 4.387 -5.145 1.00 0.00 O ATOM 234 CB LEU A 106 -4.235 2.166 -4.072 1.00 0.00 C ATOM 235 CG LEU A 106 -5.226 1.006 -3.927 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.971 -0.053 -4.990 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.134 0.398 -2.535 1.00 0.00 C ATOM 0 H LEU A 106 -3.664 4.861 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.979 2.170 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.228 1.786 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.439 2.897 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.234 1.396 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.685 -0.868 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.088 0.389 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.957 -0.440 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.844 -0.424 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.124 0.024 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.368 1.158 -1.790 1.00 0.00 H new ATOM 249 N GLU A 107 -6.366 2.711 -6.624 1.00 0.00 N ATOM 250 CA GLU A 107 -7.722 3.103 -6.994 1.00 0.00 C ATOM 251 C GLU A 107 -8.649 3.043 -5.784 1.00 0.00 C ATOM 252 O GLU A 107 -8.665 2.053 -5.052 1.00 0.00 O ATOM 253 CB GLU A 107 -8.253 2.197 -8.108 1.00 0.00 C ATOM 254 CG GLU A 107 -9.653 2.562 -8.575 1.00 0.00 C ATOM 255 CD GLU A 107 -10.155 1.654 -9.681 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.507 1.606 -10.748 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.195 0.993 -9.481 1.00 0.00 O ATOM 0 H GLU A 107 -6.017 1.886 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.693 4.130 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.572 2.243 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.254 1.165 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.339 2.511 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.657 3.594 -8.927 1.00 0.00 H new ATOM 264 N ASN A 108 -9.417 4.110 -5.578 1.00 0.00 N ATOM 265 CA ASN A 108 -10.343 4.182 -4.454 1.00 0.00 C ATOM 266 C ASN A 108 -9.613 3.930 -3.138 1.00 0.00 C ATOM 267 O ASN A 108 -10.087 3.177 -2.288 1.00 0.00 O ATOM 268 CB ASN A 108 -11.478 3.168 -4.628 1.00 0.00 C ATOM 269 CG ASN A 108 -12.329 3.437 -5.858 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.261 2.688 -6.153 1.00 0.00 O ATOM 271 ND2 ASN A 108 -12.019 4.508 -6.583 1.00 0.00 N ATOM 0 H ASN A 108 -9.415 4.936 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.769 5.185 -4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.055 2.166 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.113 3.186 -3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.561 4.734 -7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.239 5.104 -6.305 1.00 0.00 H new ATOM 278 N GLY A 109 -8.454 4.562 -2.982 1.00 0.00 N ATOM 279 CA GLY A 109 -7.671 4.390 -1.772 1.00 0.00 C ATOM 280 C GLY A 109 -6.410 5.232 -1.772 1.00 0.00 C ATOM 281 O GLY A 109 -6.000 5.749 -2.812 1.00 0.00 O ATOM 0 H GLY A 109 -8.043 5.190 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.281 4.654 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.402 3.339 -1.663 1.00 0.00 H new ATOM 285 N LYS A 110 -5.795 5.372 -0.602 1.00 0.00 N ATOM 286 CA LYS A 110 -4.574 6.159 -0.467 1.00 0.00 C ATOM 287 C LYS A 110 -3.608 5.502 0.511 1.00 0.00 C ATOM 288 O LYS A 110 -4.019 4.795 1.428 1.00 0.00 O ATOM 289 CB LYS A 110 -4.900 7.579 -0.001 1.00 0.00 C ATOM 290 CG LYS A 110 -3.673 8.466 0.169 1.00 0.00 C ATOM 291 CD LYS A 110 -2.903 8.622 -1.135 1.00 0.00 C ATOM 292 CE LYS A 110 -3.735 9.321 -2.199 1.00 0.00 C ATOM 293 NZ LYS A 110 -4.135 10.693 -1.780 1.00 0.00 N ATOM 0 H LYS A 110 -6.122 4.950 0.267 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.097 6.208 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.575 8.042 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.434 7.527 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.981 9.448 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.018 8.039 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.991 9.191 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.599 7.640 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.165 9.377 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.627 8.731 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.504 11.213 -2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.872 10.632 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.308 11.194 -1.396 1.00 0.00 H new ATOM 307 N VAL A 111 -2.319 5.738 0.299 1.00 0.00 N ATOM 308 CA VAL A 111 -1.284 5.169 1.153 1.00 0.00 C ATOM 309 C VAL A 111 -0.595 6.250 1.983 1.00 0.00 C ATOM 310 O VAL A 111 -0.351 7.357 1.501 1.00 0.00 O ATOM 311 CB VAL A 111 -0.228 4.414 0.319 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.901 3.910 1.206 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.873 3.263 -0.438 1.00 0.00 C ATOM 0 H VAL A 111 -1.965 6.321 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.775 4.466 1.826 1.00 0.00 H new ATOM 0 HB VAL A 111 0.197 5.108 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.634 3.381 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.381 4.755 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.498 3.232 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.115 2.741 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.327 2.570 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.641 3.652 -1.107 1.00 0.00 H new ATOM 323 N PHE A 112 -0.287 5.921 3.235 1.00 0.00 N ATOM 324 CA PHE A 112 0.372 6.861 4.137 1.00 0.00 C ATOM 325 C PHE A 112 1.835 6.489 4.357 1.00 0.00 C ATOM 326 O PHE A 112 2.164 5.324 4.583 1.00 0.00 O ATOM 327 CB PHE A 112 -0.358 6.914 5.482 1.00 0.00 C ATOM 328 CG PHE A 112 -1.605 7.756 5.469 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.542 7.625 4.455 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.836 8.682 6.474 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.686 8.402 4.446 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.977 9.460 6.470 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.904 9.321 5.454 1.00 0.00 C ATOM 0 H PHE A 112 -0.484 5.009 3.648 1.00 0.00 H new ATOM 0 HA PHE A 112 0.336 7.845 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.620 5.899 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.323 7.304 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.377 6.909 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.115 8.797 7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.409 8.290 3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.145 10.177 7.260 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.796 9.929 5.448 1.00 0.00 H new ATOM 343 N LEU A 113 2.703 7.496 4.281 1.00 0.00 N ATOM 344 CA LEU A 113 4.138 7.314 4.460 1.00 0.00 C ATOM 345 C LEU A 113 4.724 6.551 3.287 1.00 0.00 C ATOM 346 O LEU A 113 4.219 5.498 2.898 1.00 0.00 O ATOM 347 CB LEU A 113 4.441 6.585 5.776 1.00 0.00 C ATOM 348 CG LEU A 113 5.913 6.601 6.219 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.036 6.134 7.661 1.00 0.00 C ATOM 350 CD2 LEU A 113 6.778 5.743 5.304 1.00 0.00 C ATOM 0 H LEU A 113 2.429 8.460 4.093 1.00 0.00 H new ATOM 0 HA LEU A 113 4.601 8.300 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.837 7.032 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.121 5.548 5.678 1.00 0.00 H new ATOM 0 HG LEU A 113 6.273 7.627 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.084 6.151 7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.463 6.798 8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.650 5.119 7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.813 5.776 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.421 4.713 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.720 6.125 4.285 1.00 0.00 H new ATOM 362 N THR A 114 5.796 7.094 2.728 1.00 0.00 N ATOM 363 CA THR A 114 6.460 6.471 1.600 1.00 0.00 C ATOM 364 C THR A 114 7.815 5.900 2.012 1.00 0.00 C ATOM 365 O THR A 114 8.156 4.768 1.667 1.00 0.00 O ATOM 366 CB THR A 114 6.660 7.471 0.445 1.00 0.00 C ATOM 367 OG1 THR A 114 5.393 7.975 0.009 1.00 0.00 O ATOM 368 CG2 THR A 114 7.378 6.815 -0.725 1.00 0.00 C ATOM 0 H THR A 114 6.223 7.966 3.040 1.00 0.00 H new ATOM 0 HA THR A 114 5.817 5.660 1.257 1.00 0.00 H new ATOM 0 HB THR A 114 7.274 8.294 0.811 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.529 8.611 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.507 7.542 -1.527 1.00 0.00 H new ATOM 0 HG22 THR A 114 8.355 6.458 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.788 5.974 -1.089 1.00 0.00 H new ATOM 376 N GLY A 115 8.584 6.693 2.754 1.00 0.00 N ATOM 377 CA GLY A 115 9.893 6.252 3.198 1.00 0.00 C ATOM 378 C GLY A 115 10.943 6.387 2.113 1.00 0.00 C ATOM 379 O GLY A 115 11.635 5.423 1.785 1.00 0.00 O ATOM 0 H GLY A 115 8.323 7.632 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.195 6.836 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.835 5.211 3.517 1.00 0.00 H new ATOM 383 N GLY A 116 11.055 7.587 1.551 1.00 0.00 N ATOM 384 CA GLY A 116 12.021 7.830 0.497 1.00 0.00 C ATOM 385 C GLY A 116 12.659 9.201 0.601 1.00 0.00 C ATOM 386 O GLY A 116 12.044 10.143 1.101 1.00 0.00 O ATOM 0 H GLY A 116 10.491 8.397 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.798 7.067 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.530 7.734 -0.471 1.00 0.00 H new ATOM 390 N ASP A 117 13.898 9.313 0.131 1.00 0.00 N ATOM 391 CA ASP A 117 14.623 10.573 0.176 1.00 0.00 C ATOM 392 C ASP A 117 15.758 10.558 -0.838 1.00 0.00 C ATOM 393 O ASP A 117 16.934 10.573 -0.473 1.00 0.00 O ATOM 394 CB ASP A 117 15.171 10.827 1.582 1.00 0.00 C ATOM 395 CG ASP A 117 15.886 12.159 1.695 1.00 0.00 C ATOM 396 OD1 ASP A 117 15.242 13.202 1.453 1.00 0.00 O ATOM 397 OD2 ASP A 117 17.091 12.161 2.025 1.00 0.00 O ATOM 0 H ASP A 117 14.420 8.542 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 117 13.935 11.380 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.351 10.797 2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 117 15.859 10.025 1.851 1.00 0.00 H new ATOM 402 N LEU A 118 15.387 10.511 -2.116 1.00 0.00 N ATOM 403 CA LEU A 118 16.353 10.477 -3.207 1.00 0.00 C ATOM 404 C LEU A 118 17.550 11.378 -2.912 1.00 0.00 C ATOM 405 O LEU A 118 17.388 12.491 -2.412 1.00 0.00 O ATOM 406 CB LEU A 118 15.688 10.914 -4.515 1.00 0.00 C ATOM 407 CG LEU A 118 14.497 10.060 -4.957 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.878 10.628 -6.225 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.924 8.615 -5.173 1.00 0.00 C ATOM 0 H LEU A 118 14.414 10.496 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 118 16.710 9.452 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.355 11.946 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.437 10.902 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 118 13.747 10.081 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.033 10.009 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.535 11.645 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.623 10.637 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.063 8.024 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.693 8.574 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.322 8.210 -4.243 1.00 0.00 H new ATOM 421 N PRO A 119 18.772 10.906 -3.215 1.00 0.00 N ATOM 422 CA PRO A 119 19.011 9.592 -3.811 1.00 0.00 C ATOM 423 C PRO A 119 19.187 8.480 -2.773 1.00 0.00 C ATOM 424 O PRO A 119 20.232 7.831 -2.729 1.00 0.00 O ATOM 425 CB PRO A 119 20.312 9.820 -4.571 1.00 0.00 C ATOM 426 CG PRO A 119 21.064 10.806 -3.738 1.00 0.00 C ATOM 427 CD PRO A 119 20.035 11.635 -3.002 1.00 0.00 C ATOM 0 HA PRO A 119 18.173 9.257 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 119 20.871 8.892 -4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 119 20.124 10.208 -5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 119 21.723 10.295 -3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 119 21.694 11.439 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 119 20.274 11.719 -1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.982 12.649 -3.398 1.00 0.00 H new ATOM 435 N ALA A 120 18.169 8.256 -1.938 1.00 0.00 N ATOM 436 CA ALA A 120 18.250 7.214 -0.918 1.00 0.00 C ATOM 437 C ALA A 120 16.874 6.876 -0.355 1.00 0.00 C ATOM 438 O ALA A 120 16.145 7.755 0.104 1.00 0.00 O ATOM 439 CB ALA A 120 19.186 7.644 0.200 1.00 0.00 C ATOM 0 H ALA A 120 17.291 8.776 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 120 18.647 6.315 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 120 19.237 6.858 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 120 20.181 7.822 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 120 18.811 8.560 0.656 1.00 0.00 H new ATOM 445 N LEU A 121 16.529 5.591 -0.391 1.00 0.00 N ATOM 446 CA LEU A 121 15.245 5.121 0.116 1.00 0.00 C ATOM 447 C LEU A 121 15.277 5.019 1.640 1.00 0.00 C ATOM 448 O LEU A 121 14.463 5.629 2.331 1.00 0.00 O ATOM 449 CB LEU A 121 14.915 3.759 -0.498 1.00 0.00 C ATOM 450 CG LEU A 121 13.487 3.266 -0.271 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.487 4.217 -0.912 1.00 0.00 C ATOM 452 CD2 LEU A 121 13.315 1.861 -0.826 1.00 0.00 C ATOM 0 H LEU A 121 17.125 4.854 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 121 14.472 5.836 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.097 3.810 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.605 3.020 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 121 13.298 3.239 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.475 3.850 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.593 5.208 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.675 4.275 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.292 1.525 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.522 1.865 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 121 14.007 1.184 -0.325 1.00 0.00 H new ATOM 464 N ASP A 122 16.248 4.254 2.140 1.00 0.00 N ATOM 465 CA ASP A 122 16.458 4.046 3.577 1.00 0.00 C ATOM 466 C ASP A 122 15.158 3.923 4.379 1.00 0.00 C ATOM 467 O ASP A 122 14.454 4.906 4.607 1.00 0.00 O ATOM 468 CB ASP A 122 17.301 5.189 4.144 1.00 0.00 C ATOM 469 CG ASP A 122 17.550 5.043 5.632 1.00 0.00 C ATOM 470 OD1 ASP A 122 18.150 4.025 6.037 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.147 5.947 6.393 1.00 0.00 O ATOM 0 H ASP A 122 16.918 3.756 1.555 1.00 0.00 H new ATOM 0 HA ASP A 122 16.977 3.093 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 122 18.257 5.226 3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.797 6.137 3.954 1.00 0.00 H new ATOM 476 N GLY A 123 14.881 2.707 4.849 1.00 0.00 N ATOM 477 CA GLY A 123 13.703 2.461 5.667 1.00 0.00 C ATOM 478 C GLY A 123 12.398 2.888 5.023 1.00 0.00 C ATOM 479 O GLY A 123 11.631 3.646 5.616 1.00 0.00 O ATOM 0 H GLY A 123 15.456 1.883 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.650 1.397 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.816 2.987 6.615 1.00 0.00 H new ATOM 483 N ALA A 124 12.132 2.396 3.819 1.00 0.00 N ATOM 484 CA ALA A 124 10.896 2.734 3.122 1.00 0.00 C ATOM 485 C ALA A 124 9.705 2.015 3.747 1.00 0.00 C ATOM 486 O ALA A 124 9.756 0.810 3.995 1.00 0.00 O ATOM 487 CB ALA A 124 11.004 2.386 1.648 1.00 0.00 C ATOM 0 H ALA A 124 12.750 1.766 3.308 1.00 0.00 H new ATOM 0 HA ALA A 124 10.738 3.808 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 124 10.073 2.645 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.826 2.945 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.191 1.318 1.539 1.00 0.00 H new ATOM 493 N ARG A 125 8.633 2.760 3.996 1.00 0.00 N ATOM 494 CA ARG A 125 7.426 2.191 4.589 1.00 0.00 C ATOM 495 C ARG A 125 6.176 2.737 3.906 1.00 0.00 C ATOM 496 O ARG A 125 6.191 3.841 3.363 1.00 0.00 O ATOM 497 CB ARG A 125 7.375 2.481 6.091 1.00 0.00 C ATOM 498 CG ARG A 125 8.504 1.830 6.876 1.00 0.00 C ATOM 499 CD ARG A 125 8.395 2.130 8.363 1.00 0.00 C ATOM 500 NE ARG A 125 9.445 1.470 9.137 1.00 0.00 N ATOM 501 CZ ARG A 125 10.743 1.730 8.999 1.00 0.00 C ATOM 502 NH1 ARG A 125 11.154 2.640 8.127 1.00 0.00 N ATOM 503 NH2 ARG A 125 11.630 1.079 9.738 1.00 0.00 N ATOM 0 H ARG A 125 8.574 3.759 3.797 1.00 0.00 H new ATOM 0 HA ARG A 125 7.456 1.111 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.411 3.559 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.421 2.134 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.483 0.752 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 125 9.463 2.188 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.453 3.207 8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.420 1.807 8.727 1.00 0.00 H new ATOM 0 HE ARG A 125 9.166 0.769 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 125 10.474 3.145 7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 125 12.150 2.836 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.318 0.380 10.412 1.00 0.00 H new ATOM 0 HH22 ARG A 125 12.625 1.277 9.633 1.00 0.00 H new ATOM 517 N VAL A 126 5.096 1.963 3.937 1.00 0.00 N ATOM 518 CA VAL A 126 3.836 2.378 3.326 1.00 0.00 C ATOM 519 C VAL A 126 2.647 1.690 3.986 1.00 0.00 C ATOM 520 O VAL A 126 2.638 0.468 4.162 1.00 0.00 O ATOM 521 CB VAL A 126 3.797 2.082 1.811 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.718 3.021 1.048 1.00 0.00 C ATOM 523 CG2 VAL A 126 4.162 0.632 1.541 1.00 0.00 C ATOM 0 H VAL A 126 5.067 1.044 4.379 1.00 0.00 H new ATOM 0 HA VAL A 126 3.769 3.455 3.477 1.00 0.00 H new ATOM 0 HB VAL A 126 2.780 2.251 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.671 2.791 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.403 4.052 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.741 2.895 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.129 0.442 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 126 5.167 0.434 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.452 -0.022 2.047 1.00 0.00 H new ATOM 533 N GLU A 127 1.644 2.484 4.343 1.00 0.00 N ATOM 534 CA GLU A 127 0.438 1.967 4.977 1.00 0.00 C ATOM 535 C GLU A 127 -0.733 2.009 4.001 1.00 0.00 C ATOM 536 O GLU A 127 -1.134 3.079 3.546 1.00 0.00 O ATOM 537 CB GLU A 127 0.109 2.785 6.227 1.00 0.00 C ATOM 538 CG GLU A 127 1.190 2.725 7.294 1.00 0.00 C ATOM 539 CD GLU A 127 0.841 3.538 8.525 1.00 0.00 C ATOM 540 OE1 GLU A 127 0.650 4.765 8.392 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.759 2.948 9.622 1.00 0.00 O ATOM 0 H GLU A 127 1.643 3.494 4.203 1.00 0.00 H new ATOM 0 HA GLU A 127 0.613 0.931 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.049 3.824 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.829 2.425 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.352 1.687 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.128 3.090 6.876 1.00 0.00 H new ATOM 548 N PHE A 128 -1.276 0.839 3.681 1.00 0.00 N ATOM 549 CA PHE A 128 -2.400 0.753 2.755 1.00 0.00 C ATOM 550 C PHE A 128 -3.732 0.927 3.475 1.00 0.00 C ATOM 551 O PHE A 128 -3.926 0.428 4.584 1.00 0.00 O ATOM 552 CB PHE A 128 -2.388 -0.581 2.003 1.00 0.00 C ATOM 553 CG PHE A 128 -1.217 -0.750 1.074 1.00 0.00 C ATOM 554 CD1 PHE A 128 0.081 -0.741 1.558 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.419 -0.926 -0.285 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.155 -0.902 0.705 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.349 -1.088 -1.145 1.00 0.00 C ATOM 558 CZ PHE A 128 0.940 -1.075 -0.649 1.00 0.00 C ATOM 0 H PHE A 128 -0.958 -0.059 4.047 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.289 1.566 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.384 -1.395 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.310 -0.671 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.255 -0.606 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.425 -0.937 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.162 -0.893 1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.521 -1.224 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.778 -1.200 -1.318 1.00 0.00 H new ATOM 568 N ARG A 129 -4.649 1.629 2.821 1.00 0.00 N ATOM 569 CA ARG A 129 -5.979 1.870 3.365 1.00 0.00 C ATOM 570 C ARG A 129 -6.929 2.271 2.244 1.00 0.00 C ATOM 571 O ARG A 129 -6.624 3.157 1.446 1.00 0.00 O ATOM 572 CB ARG A 129 -5.939 2.958 4.443 1.00 0.00 C ATOM 573 CG ARG A 129 -5.337 4.265 3.973 1.00 0.00 C ATOM 574 CD ARG A 129 -5.454 5.350 5.033 1.00 0.00 C ATOM 575 NE ARG A 129 -4.859 4.946 6.306 1.00 0.00 N ATOM 576 CZ ARG A 129 -3.571 4.652 6.464 1.00 0.00 C ATOM 577 NH1 ARG A 129 -2.736 4.714 5.436 1.00 0.00 N ATOM 578 NH2 ARG A 129 -3.116 4.295 7.658 1.00 0.00 N ATOM 0 H ARG A 129 -4.493 2.045 1.903 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.338 0.950 3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.953 3.143 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.366 2.591 5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.287 4.113 3.722 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.839 4.590 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.965 6.257 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.505 5.594 5.186 1.00 0.00 H new ATOM 0 HE ARG A 129 -5.468 4.886 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -3.080 4.989 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.750 4.487 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.753 4.246 8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.129 4.069 7.781 1.00 0.00 H new ATOM 592 N CYS A 130 -8.070 1.595 2.173 1.00 0.00 N ATOM 593 CA CYS A 130 -9.047 1.868 1.128 1.00 0.00 C ATOM 594 C CYS A 130 -10.036 2.950 1.548 1.00 0.00 C ATOM 595 O CYS A 130 -10.382 3.073 2.723 1.00 0.00 O ATOM 596 CB CYS A 130 -9.798 0.591 0.755 1.00 0.00 C ATOM 597 SG CYS A 130 -10.800 0.750 -0.755 1.00 0.00 S ATOM 0 H CYS A 130 -8.340 0.857 2.824 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.501 2.233 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -9.079 -0.217 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.447 0.306 1.583 1.00 0.00 H new ATOM 602 N ASP A 131 -10.485 3.726 0.566 1.00 0.00 N ATOM 603 CA ASP A 131 -11.441 4.804 0.797 1.00 0.00 C ATOM 604 C ASP A 131 -12.669 4.292 1.547 1.00 0.00 C ATOM 605 O ASP A 131 -13.090 3.151 1.350 1.00 0.00 O ATOM 606 CB ASP A 131 -11.867 5.409 -0.544 1.00 0.00 C ATOM 607 CG ASP A 131 -12.796 6.598 -0.401 1.00 0.00 C ATOM 608 OD1 ASP A 131 -12.339 7.656 0.082 1.00 0.00 O ATOM 609 OD2 ASP A 131 -13.982 6.473 -0.773 1.00 0.00 O ATOM 0 H ASP A 131 -10.198 3.626 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.960 5.568 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -10.978 5.717 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.361 4.641 -1.140 1.00 0.00 H new ATOM 614 N PRO A 132 -13.257 5.132 2.419 1.00 0.00 N ATOM 615 CA PRO A 132 -14.441 4.784 3.206 1.00 0.00 C ATOM 616 C PRO A 132 -15.466 3.989 2.401 1.00 0.00 C ATOM 617 O PRO A 132 -15.464 4.029 1.169 1.00 0.00 O ATOM 618 CB PRO A 132 -15.020 6.148 3.621 1.00 0.00 C ATOM 619 CG PRO A 132 -14.110 7.187 3.038 1.00 0.00 C ATOM 620 CD PRO A 132 -12.818 6.495 2.712 1.00 0.00 C ATOM 0 HA PRO A 132 -14.187 4.143 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.037 6.268 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.066 6.237 4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.549 7.628 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -13.946 7.999 3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.316 6.952 1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.119 6.526 3.547 1.00 0.00 H new ATOM 628 N ASP A 133 -16.322 3.253 3.112 1.00 0.00 N ATOM 629 CA ASP A 133 -17.352 2.416 2.491 1.00 0.00 C ATOM 630 C ASP A 133 -16.753 1.093 2.026 1.00 0.00 C ATOM 631 O ASP A 133 -17.361 0.037 2.187 1.00 0.00 O ATOM 632 CB ASP A 133 -18.024 3.135 1.316 1.00 0.00 C ATOM 633 CG ASP A 133 -18.690 4.431 1.735 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.597 4.383 2.591 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.303 5.494 1.205 1.00 0.00 O ATOM 0 H ASP A 133 -16.322 3.220 4.131 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.115 2.215 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.279 3.344 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.768 2.476 0.868 1.00 0.00 H new ATOM 640 N PHE A 134 -15.549 1.153 1.468 1.00 0.00 N ATOM 641 CA PHE A 134 -14.863 -0.046 1.003 1.00 0.00 C ATOM 642 C PHE A 134 -13.728 -0.391 1.958 1.00 0.00 C ATOM 643 O PHE A 134 -12.903 0.464 2.285 1.00 0.00 O ATOM 644 CB PHE A 134 -14.300 0.161 -0.407 1.00 0.00 C ATOM 645 CG PHE A 134 -15.287 0.736 -1.382 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.584 2.090 -1.370 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.908 -0.074 -2.319 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.485 2.623 -2.273 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.809 0.453 -3.223 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.098 1.804 -3.200 1.00 0.00 C ATOM 0 H PHE A 134 -15.028 2.019 1.327 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.582 -0.865 0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.436 0.823 -0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.944 -0.796 -0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.106 2.735 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.685 -1.130 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.709 3.679 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.287 -0.190 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.802 2.219 -3.906 1.00 0.00 H new ATOM 660 N HIS A 135 -13.686 -1.639 2.407 1.00 0.00 N ATOM 661 CA HIS A 135 -12.642 -2.073 3.326 1.00 0.00 C ATOM 662 C HIS A 135 -11.577 -2.885 2.598 1.00 0.00 C ATOM 663 O HIS A 135 -11.886 -3.838 1.882 1.00 0.00 O ATOM 664 CB HIS A 135 -13.243 -2.886 4.476 1.00 0.00 C ATOM 665 CG HIS A 135 -14.068 -4.051 4.029 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.198 -3.919 3.249 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.928 -5.378 4.264 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.717 -5.113 3.025 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.965 -6.015 3.629 1.00 0.00 N ATOM 0 H HIS A 135 -14.357 -2.364 2.152 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.166 -1.184 3.741 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.436 -3.248 5.113 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.861 -2.229 5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.146 -5.847 4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.606 -5.317 2.446 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.128 -7.022 3.624 1.00 0.00 H new ATOM 678 N LEU A 136 -10.321 -2.490 2.785 1.00 0.00 N ATOM 679 CA LEU A 136 -9.200 -3.170 2.150 1.00 0.00 C ATOM 680 C LEU A 136 -8.927 -4.505 2.836 1.00 0.00 C ATOM 681 O LEU A 136 -8.783 -4.565 4.057 1.00 0.00 O ATOM 682 CB LEU A 136 -7.957 -2.279 2.201 1.00 0.00 C ATOM 683 CG LEU A 136 -6.795 -2.723 1.311 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.245 -2.826 -0.138 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.631 -1.753 1.439 1.00 0.00 C ATOM 0 H LEU A 136 -10.055 -1.700 3.373 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.451 -3.367 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.244 -1.267 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.606 -2.233 3.232 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.463 -3.708 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.406 -3.143 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.051 -3.555 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -7.601 -1.854 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.811 -2.082 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.952 -0.757 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.294 -1.724 2.475 1.00 0.00 H new ATOM 697 N VAL A 137 -8.874 -5.574 2.049 1.00 0.00 N ATOM 698 CA VAL A 137 -8.638 -6.908 2.590 1.00 0.00 C ATOM 699 C VAL A 137 -7.543 -7.645 1.823 1.00 0.00 C ATOM 700 O VAL A 137 -7.825 -8.581 1.074 1.00 0.00 O ATOM 701 CB VAL A 137 -9.926 -7.756 2.557 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.714 -9.086 3.266 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.086 -6.992 3.175 1.00 0.00 C ATOM 0 H VAL A 137 -8.991 -5.543 1.036 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.315 -6.772 3.622 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.172 -7.964 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.635 -9.668 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -8.916 -9.639 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.439 -8.905 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.985 -7.607 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.850 -6.748 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.255 -6.072 2.615 1.00 0.00 H new ATOM 713 N GLY A 138 -6.294 -7.227 2.005 1.00 0.00 N ATOM 714 CA GLY A 138 -5.202 -7.879 1.310 1.00 0.00 C ATOM 715 C GLY A 138 -3.845 -7.486 1.851 1.00 0.00 C ATOM 716 O GLY A 138 -2.996 -6.995 1.106 1.00 0.00 O ATOM 0 H GLY A 138 -6.021 -6.456 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.321 -8.960 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.252 -7.630 0.250 1.00 0.00 H new ATOM 720 N SER A 139 -3.639 -7.697 3.149 1.00 0.00 N ATOM 721 CA SER A 139 -2.374 -7.349 3.779 1.00 0.00 C ATOM 722 C SER A 139 -2.020 -5.908 3.443 1.00 0.00 C ATOM 723 O SER A 139 -1.052 -5.640 2.731 1.00 0.00 O ATOM 724 CB SER A 139 -1.272 -8.296 3.315 1.00 0.00 C ATOM 725 OG SER A 139 -0.022 -7.931 3.869 1.00 0.00 O ATOM 0 H SER A 139 -4.329 -8.105 3.779 1.00 0.00 H new ATOM 0 HA SER A 139 -2.471 -7.447 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.519 -9.317 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.210 -8.281 2.227 1.00 0.00 H new ATOM 0 HG SER A 139 0.303 -8.653 4.446 1.00 0.00 H new ATOM 731 N SER A 140 -2.849 -4.995 3.933 1.00 0.00 N ATOM 732 CA SER A 140 -2.688 -3.574 3.680 1.00 0.00 C ATOM 733 C SER A 140 -1.475 -2.982 4.406 1.00 0.00 C ATOM 734 O SER A 140 -1.526 -1.853 4.895 1.00 0.00 O ATOM 735 CB SER A 140 -3.966 -2.861 4.109 1.00 0.00 C ATOM 736 OG SER A 140 -4.151 -2.939 5.511 1.00 0.00 O ATOM 0 H SER A 140 -3.653 -5.222 4.518 1.00 0.00 H new ATOM 0 HA SER A 140 -2.508 -3.431 2.615 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.922 -1.816 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.822 -3.306 3.601 1.00 0.00 H new ATOM 0 HG SER A 140 -4.976 -2.472 5.758 1.00 0.00 H new ATOM 742 N ARG A 141 -0.384 -3.739 4.454 1.00 0.00 N ATOM 743 CA ARG A 141 0.845 -3.284 5.096 1.00 0.00 C ATOM 744 C ARG A 141 2.060 -3.737 4.290 1.00 0.00 C ATOM 745 O ARG A 141 2.138 -4.892 3.873 1.00 0.00 O ATOM 746 CB ARG A 141 0.935 -3.818 6.528 1.00 0.00 C ATOM 747 CG ARG A 141 2.208 -3.406 7.249 1.00 0.00 C ATOM 748 CD ARG A 141 2.252 -3.953 8.666 1.00 0.00 C ATOM 749 NE ARG A 141 1.161 -3.439 9.488 1.00 0.00 N ATOM 750 CZ ARG A 141 0.987 -3.761 10.766 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.828 -4.594 11.364 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.030 -3.251 11.449 1.00 0.00 N ATOM 0 H ARG A 141 -0.326 -4.675 4.054 1.00 0.00 H new ATOM 0 HA ARG A 141 0.831 -2.195 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.074 -3.463 7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.875 -4.906 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.074 -3.765 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.275 -2.318 7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.200 -5.041 8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.205 -3.692 9.125 1.00 0.00 H new ATOM 0 HE ARG A 141 0.495 -2.797 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.611 -4.989 10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.692 -4.839 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.680 -2.611 10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.162 -3.499 12.429 1.00 0.00 H new ATOM 766 N SER A 142 3.005 -2.827 4.067 1.00 0.00 N ATOM 767 CA SER A 142 4.205 -3.153 3.300 1.00 0.00 C ATOM 768 C SER A 142 5.419 -2.390 3.819 1.00 0.00 C ATOM 769 O SER A 142 5.325 -1.214 4.169 1.00 0.00 O ATOM 770 CB SER A 142 3.986 -2.836 1.820 1.00 0.00 C ATOM 771 OG SER A 142 2.925 -3.605 1.283 1.00 0.00 O ATOM 0 H SER A 142 2.964 -1.865 4.403 1.00 0.00 H new ATOM 0 HA SER A 142 4.398 -4.219 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.766 -1.775 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.902 -3.036 1.263 1.00 0.00 H new ATOM 0 HG SER A 142 3.251 -4.121 0.516 1.00 0.00 H new ATOM 777 N VAL A 143 6.564 -3.071 3.859 1.00 0.00 N ATOM 778 CA VAL A 143 7.803 -2.463 4.329 1.00 0.00 C ATOM 779 C VAL A 143 9.001 -2.989 3.540 1.00 0.00 C ATOM 780 O VAL A 143 9.174 -4.198 3.383 1.00 0.00 O ATOM 781 CB VAL A 143 8.024 -2.725 5.832 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.056 -4.218 6.120 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.304 -2.054 6.311 1.00 0.00 C ATOM 0 H VAL A 143 6.657 -4.045 3.571 1.00 0.00 H new ATOM 0 HA VAL A 143 7.713 -1.388 4.172 1.00 0.00 H new ATOM 0 HB VAL A 143 7.187 -2.293 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.213 -4.380 7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.109 -4.667 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.869 -4.679 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.442 -2.251 7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.153 -2.452 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.234 -0.979 6.147 1.00 0.00 H new ATOM 793 N CYS A 144 9.819 -2.069 3.039 1.00 0.00 N ATOM 794 CA CYS A 144 10.997 -2.429 2.255 1.00 0.00 C ATOM 795 C CYS A 144 12.085 -3.045 3.128 1.00 0.00 C ATOM 796 O CYS A 144 12.136 -2.816 4.336 1.00 0.00 O ATOM 797 CB CYS A 144 11.545 -1.204 1.522 1.00 0.00 C ATOM 798 SG CYS A 144 10.384 -0.497 0.310 1.00 0.00 S ATOM 0 H CYS A 144 9.688 -1.065 3.162 1.00 0.00 H new ATOM 0 HA CYS A 144 10.689 -3.176 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 144 11.803 -0.439 2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 144 12.467 -1.480 1.011 1.00 0.00 H new ATOM 803 N SER A 145 12.952 -3.831 2.498 1.00 0.00 N ATOM 804 CA SER A 145 14.046 -4.492 3.198 1.00 0.00 C ATOM 805 C SER A 145 15.149 -4.875 2.221 1.00 0.00 C ATOM 806 O SER A 145 16.326 -4.928 2.580 1.00 0.00 O ATOM 807 CB SER A 145 13.539 -5.736 3.931 1.00 0.00 C ATOM 808 OG SER A 145 14.594 -6.391 4.613 1.00 0.00 O ATOM 0 H SER A 145 12.917 -4.026 1.497 1.00 0.00 H new ATOM 0 HA SER A 145 14.453 -3.796 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.763 -5.452 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.082 -6.422 3.217 1.00 0.00 H new ATOM 0 HG SER A 145 14.244 -7.182 5.075 1.00 0.00 H new ATOM 814 N GLN A 146 14.753 -5.137 0.981 1.00 0.00 N ATOM 815 CA GLN A 146 15.693 -5.515 -0.071 1.00 0.00 C ATOM 816 C GLN A 146 15.198 -5.039 -1.434 1.00 0.00 C ATOM 817 O GLN A 146 15.179 -5.800 -2.403 1.00 0.00 O ATOM 818 CB GLN A 146 15.889 -7.035 -0.090 1.00 0.00 C ATOM 819 CG GLN A 146 16.462 -7.595 1.201 1.00 0.00 C ATOM 820 CD GLN A 146 16.631 -9.101 1.161 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.663 -9.841 0.988 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.866 -9.563 1.320 1.00 0.00 N ATOM 0 H GLN A 146 13.780 -5.094 0.677 1.00 0.00 H new ATOM 0 HA GLN A 146 16.649 -5.036 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.930 -7.513 -0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.552 -7.296 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 146 17.428 -7.130 1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 146 15.807 -7.329 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.639 -8.913 1.461 1.00 0.00 H new ATOM 0 HE22 GLN A 146 18.041 -10.568 1.301 1.00 0.00 H new ATOM 831 N GLY A 147 14.794 -3.772 -1.500 1.00 0.00 N ATOM 832 CA GLY A 147 14.301 -3.207 -2.743 1.00 0.00 C ATOM 833 C GLY A 147 12.990 -3.830 -3.184 1.00 0.00 C ATOM 834 O GLY A 147 12.747 -3.998 -4.379 1.00 0.00 O ATOM 0 H GLY A 147 14.800 -3.126 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 147 14.166 -2.132 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 147 15.048 -3.348 -3.524 1.00 0.00 H new ATOM 838 N GLN A 148 12.145 -4.164 -2.211 1.00 0.00 N ATOM 839 CA GLN A 148 10.843 -4.770 -2.479 1.00 0.00 C ATOM 840 C GLN A 148 9.909 -4.575 -1.289 1.00 0.00 C ATOM 841 O GLN A 148 10.349 -4.565 -0.140 1.00 0.00 O ATOM 842 CB GLN A 148 10.983 -6.270 -2.769 1.00 0.00 C ATOM 843 CG GLN A 148 11.666 -6.591 -4.089 1.00 0.00 C ATOM 844 CD GLN A 148 11.768 -8.082 -4.343 1.00 0.00 C ATOM 845 OE1 GLN A 148 12.396 -8.813 -3.577 1.00 0.00 O ATOM 846 NE2 GLN A 148 11.149 -8.542 -5.424 1.00 0.00 N ATOM 0 H GLN A 148 12.342 -4.023 -1.220 1.00 0.00 H new ATOM 0 HA GLN A 148 10.424 -4.277 -3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.547 -6.734 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.991 -6.723 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.112 -6.124 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 148 12.665 -6.156 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.640 -7.900 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.183 -9.537 -5.647 1.00 0.00 H new ATOM 855 N TRP A 149 8.616 -4.426 -1.568 1.00 0.00 N ATOM 856 CA TRP A 149 7.630 -4.240 -0.511 1.00 0.00 C ATOM 857 C TRP A 149 7.189 -5.585 0.061 1.00 0.00 C ATOM 858 O TRP A 149 7.064 -6.571 -0.667 1.00 0.00 O ATOM 859 CB TRP A 149 6.420 -3.454 -1.027 1.00 0.00 C ATOM 860 CG TRP A 149 6.682 -1.984 -1.178 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.685 -1.258 -2.334 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.992 -1.062 -0.126 1.00 0.00 C ATOM 863 NE1 TRP A 149 6.964 0.063 -2.064 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.159 0.207 -0.712 1.00 0.00 C ATOM 865 CE3 TRP A 149 7.139 -1.192 1.256 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.467 1.341 0.046 1.00 0.00 C ATOM 867 CZ3 TRP A 149 7.445 -0.070 2.001 1.00 0.00 C ATOM 868 CH2 TRP A 149 7.605 1.180 1.395 1.00 0.00 C ATOM 0 H TRP A 149 8.230 -4.431 -2.512 1.00 0.00 H new ATOM 0 HA TRP A 149 8.097 -3.664 0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.116 -3.862 -1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.584 -3.598 -0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 149 6.496 -1.661 -3.318 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.017 0.812 -2.755 1.00 0.00 H new ATOM 0 HE3 TRP A 149 7.016 -2.153 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.591 2.308 -0.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 7.563 -0.160 3.071 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.843 2.037 2.007 1.00 0.00 H new ATOM 879 N SER A 150 6.979 -5.616 1.376 1.00 0.00 N ATOM 880 CA SER A 150 6.578 -6.835 2.074 1.00 0.00 C ATOM 881 C SER A 150 5.422 -7.547 1.372 1.00 0.00 C ATOM 882 O SER A 150 5.449 -8.767 1.207 1.00 0.00 O ATOM 883 CB SER A 150 6.182 -6.510 3.515 1.00 0.00 C ATOM 884 OG SER A 150 5.796 -7.680 4.215 1.00 0.00 O ATOM 0 H SER A 150 7.081 -4.803 1.983 1.00 0.00 H new ATOM 0 HA SER A 150 7.436 -7.508 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 150 7.019 -6.036 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.360 -5.794 3.517 1.00 0.00 H new ATOM 0 HG SER A 150 5.549 -7.445 5.134 1.00 0.00 H new ATOM 890 N THR A 151 4.405 -6.791 0.972 1.00 0.00 N ATOM 891 CA THR A 151 3.248 -7.380 0.303 1.00 0.00 C ATOM 892 C THR A 151 2.803 -6.548 -0.898 1.00 0.00 C ATOM 893 O THR A 151 2.875 -5.320 -0.876 1.00 0.00 O ATOM 894 CB THR A 151 2.064 -7.540 1.273 1.00 0.00 C ATOM 895 OG1 THR A 151 1.638 -6.256 1.744 1.00 0.00 O ATOM 896 CG2 THR A 151 2.453 -8.416 2.454 1.00 0.00 C ATOM 0 H THR A 151 4.357 -5.780 1.097 1.00 0.00 H new ATOM 0 HA THR A 151 3.561 -8.363 -0.049 1.00 0.00 H new ATOM 0 HB THR A 151 1.244 -8.018 0.738 1.00 0.00 H new ATOM 0 HG1 THR A 151 1.872 -6.161 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.602 -8.517 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.750 -9.401 2.094 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.286 -7.959 2.987 1.00 0.00 H new ATOM 904 N PRO A 152 2.341 -7.219 -1.971 1.00 0.00 N ATOM 905 CA PRO A 152 1.889 -6.548 -3.196 1.00 0.00 C ATOM 906 C PRO A 152 0.663 -5.669 -2.971 1.00 0.00 C ATOM 907 O PRO A 152 0.364 -5.272 -1.845 1.00 0.00 O ATOM 908 CB PRO A 152 1.540 -7.705 -4.142 1.00 0.00 C ATOM 909 CG PRO A 152 2.203 -8.907 -3.560 1.00 0.00 C ATOM 910 CD PRO A 152 2.233 -8.683 -2.077 1.00 0.00 C ATOM 0 HA PRO A 152 2.655 -5.876 -3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.461 -7.845 -4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.900 -7.509 -5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 152 1.652 -9.815 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.211 -9.028 -3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.331 -9.058 -1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.079 -9.186 -1.609 1.00 0.00 H new ATOM 918 N LYS A 153 -0.042 -5.371 -4.059 1.00 0.00 N ATOM 919 CA LYS A 153 -1.238 -4.539 -3.999 1.00 0.00 C ATOM 920 C LYS A 153 -2.479 -5.374 -3.682 1.00 0.00 C ATOM 921 O LYS A 153 -2.755 -6.368 -4.355 1.00 0.00 O ATOM 922 CB LYS A 153 -1.427 -3.800 -5.326 1.00 0.00 C ATOM 923 CG LYS A 153 -0.300 -2.833 -5.654 1.00 0.00 C ATOM 924 CD LYS A 153 -0.195 -1.717 -4.626 1.00 0.00 C ATOM 925 CE LYS A 153 -1.453 -0.863 -4.592 1.00 0.00 C ATOM 926 NZ LYS A 153 -1.728 -0.227 -5.911 1.00 0.00 N ATOM 0 H LYS A 153 0.197 -5.695 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.106 -3.813 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.512 -4.531 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.368 -3.250 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.644 -3.377 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.466 -2.403 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.020 -2.146 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 153 0.665 -1.089 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.303 -1.480 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.347 -0.090 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.997 0.767 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -0.874 -0.273 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.505 -0.731 -6.384 1.00 0.00 H new ATOM 940 N PRO A 154 -3.246 -4.979 -2.649 1.00 0.00 N ATOM 941 CA PRO A 154 -4.460 -5.694 -2.244 1.00 0.00 C ATOM 942 C PRO A 154 -5.665 -5.355 -3.125 1.00 0.00 C ATOM 943 O PRO A 154 -5.514 -5.053 -4.308 1.00 0.00 O ATOM 944 CB PRO A 154 -4.683 -5.200 -0.818 1.00 0.00 C ATOM 945 CG PRO A 154 -4.128 -3.817 -0.808 1.00 0.00 C ATOM 946 CD PRO A 154 -2.987 -3.805 -1.792 1.00 0.00 C ATOM 0 HA PRO A 154 -4.350 -6.775 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.742 -5.204 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -4.174 -5.836 -0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.891 -3.091 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.783 -3.545 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.969 -2.883 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -2.024 -3.883 -1.288 1.00 0.00 H new ATOM 954 N HIS A 155 -6.860 -5.407 -2.534 1.00 0.00 N ATOM 955 CA HIS A 155 -8.090 -5.105 -3.260 1.00 0.00 C ATOM 956 C HIS A 155 -9.180 -4.605 -2.311 1.00 0.00 C ATOM 957 O HIS A 155 -9.214 -4.981 -1.140 1.00 0.00 O ATOM 958 CB HIS A 155 -8.578 -6.337 -4.026 1.00 0.00 C ATOM 959 CG HIS A 155 -8.726 -7.560 -3.175 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.668 -8.154 -2.520 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.817 -8.306 -2.878 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.101 -9.212 -1.859 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.400 -9.326 -2.059 1.00 0.00 N ATOM 0 H HIS A 155 -7.000 -5.656 -1.555 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.871 -4.312 -3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.539 -6.109 -4.488 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.879 -6.551 -4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.826 -8.131 -3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.494 -9.872 -1.257 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.998 -10.054 -1.668 1.00 0.00 H new ATOM 972 N CYS A 156 -10.065 -3.752 -2.826 1.00 0.00 N ATOM 973 CA CYS A 156 -11.152 -3.195 -2.023 1.00 0.00 C ATOM 974 C CYS A 156 -12.449 -3.967 -2.232 1.00 0.00 C ATOM 975 O CYS A 156 -12.798 -4.321 -3.358 1.00 0.00 O ATOM 976 CB CYS A 156 -11.386 -1.727 -2.382 1.00 0.00 C ATOM 977 SG CYS A 156 -9.991 -0.619 -2.018 1.00 0.00 S ATOM 0 H CYS A 156 -10.050 -3.432 -3.794 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.856 -3.277 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.616 -1.660 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.264 -1.372 -1.843 1.00 0.00 H new ATOM 982 N GLN A 157 -13.167 -4.211 -1.139 1.00 0.00 N ATOM 983 CA GLN A 157 -14.435 -4.927 -1.205 1.00 0.00 C ATOM 984 C GLN A 157 -15.602 -3.976 -0.946 1.00 0.00 C ATOM 985 O GLN A 157 -15.553 -3.150 -0.035 1.00 0.00 O ATOM 986 CB GLN A 157 -14.455 -6.078 -0.197 1.00 0.00 C ATOM 987 CG GLN A 157 -15.705 -6.939 -0.284 1.00 0.00 C ATOM 988 CD GLN A 157 -15.664 -8.125 0.659 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.588 -7.965 1.875 1.00 0.00 O ATOM 990 NE2 GLN A 157 -15.713 -9.328 0.097 1.00 0.00 N ATOM 0 H GLN A 157 -12.892 -3.924 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.542 -5.342 -2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.579 -6.706 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.374 -5.670 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.579 -6.328 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.825 -7.297 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.776 -9.415 -0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.688 -10.165 0.680 1.00 0.00 H new ATOM 999 N VAL A 158 -16.650 -4.102 -1.754 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.834 -3.262 -1.619 1.00 0.00 C ATOM 1001 C VAL A 158 -18.757 -3.817 -0.535 1.00 0.00 C ATOM 1002 O VAL A 158 -19.947 -4.043 -0.757 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.595 -3.147 -2.960 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.083 -4.510 -3.426 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.749 -2.160 -2.849 1.00 0.00 C ATOM 0 H VAL A 158 -16.703 -4.782 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 158 -17.506 -2.264 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.901 -2.766 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.615 -4.402 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -18.230 -5.174 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.754 -4.932 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.268 -2.098 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -20.444 -2.498 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.362 -1.177 -2.581 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.186 -4.042 0.642 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.935 -4.582 1.766 1.00 0.00 C ATOM 1017 C ASN A 159 -19.636 -5.883 1.384 1.00 0.00 C ATOM 1018 O ASN A 159 -20.842 -6.016 1.679 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.957 -3.560 2.267 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.307 -2.350 2.906 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.539 -2.474 3.861 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.619 -1.168 2.386 1.00 0.00 N ATOM 1023 OXT ASN A 159 -18.970 -6.759 0.792 1.00 0.00 O ATOM 0 H ASN A 159 -17.203 -3.858 0.842 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.229 -4.798 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.579 -3.235 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.618 -4.037 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.218 -0.316 2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.260 -1.112 1.595 1.00 0.00 H new