USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=15 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 100 SER OG : rot -113:sc= 0.106 USER MOD Set 1.2: A 102 SER OG : rot 180:sc= 0.1 USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0431 (180deg=-0.25) USER MOD Single : A 103 TYR OH : rot 130:sc= -1.51! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.76 X(o=-1.8,f=-2.2) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 135 HIS :FLIP no HD1:sc= -5.03! C(o=-6.3!,f=-5!) USER MOD Single : A 139 SER OG : rot 167:sc= -0.472 USER MOD Single : A 140 SER OG : rot 180:sc= -0.0281 USER MOD Single : A 142 SER OG : rot 128:sc= -2.01! USER MOD Single : A 145 SER OG : rot -48:sc= 1 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.08) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -136:sc= -0.83! USER MOD Single : A 153 LYS NZ :NH3+ -128:sc= -0.0202 (180deg=-0.359) USER MOD Single : A 155 HIS : no HD1:sc= -0.289 K(o=-0.29,f=-0.96) USER MOD Single : A 157 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.6!) USER MOD Single : A 159 ASN :FLIP amide:sc= -1.26 F(o=-5.5!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 18.779 1.422 -6.843 1.00 0.00 N ATOM 80 CA ARG A 97 17.709 0.434 -6.750 1.00 0.00 C ATOM 81 C ARG A 97 16.594 0.910 -5.821 1.00 0.00 C ATOM 82 O ARG A 97 16.127 0.161 -4.961 1.00 0.00 O ATOM 83 CB ARG A 97 18.267 -0.904 -6.259 1.00 0.00 C ATOM 84 CG ARG A 97 19.375 -1.457 -7.141 1.00 0.00 C ATOM 85 CD ARG A 97 19.919 -2.769 -6.599 1.00 0.00 C ATOM 86 NE ARG A 97 21.021 -3.283 -7.410 1.00 0.00 N ATOM 87 CZ ARG A 97 20.897 -3.648 -8.683 1.00 0.00 C ATOM 88 NH1 ARG A 97 19.716 -3.585 -9.285 1.00 0.00 N ATOM 89 NH2 ARG A 97 21.954 -4.085 -9.354 1.00 0.00 N ATOM 0 HA ARG A 97 17.286 0.302 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.648 -0.780 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.456 -1.631 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.995 -1.610 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 97 20.183 -0.729 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.260 -2.624 -5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 97 19.118 -3.507 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 97 21.939 -3.367 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.899 -3.256 -8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.626 -3.866 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.863 -4.141 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.858 -4.365 -10.330 1.00 0.00 H new ATOM 103 N ILE A 98 16.171 2.157 -6.003 1.00 0.00 N ATOM 104 CA ILE A 98 15.110 2.737 -5.186 1.00 0.00 C ATOM 105 C ILE A 98 13.856 1.869 -5.206 1.00 0.00 C ATOM 106 O ILE A 98 13.490 1.314 -6.242 1.00 0.00 O ATOM 107 CB ILE A 98 14.745 4.155 -5.666 1.00 0.00 C ATOM 108 CG1 ILE A 98 14.391 4.137 -7.157 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.892 5.117 -5.396 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.964 5.483 -7.698 1.00 0.00 C ATOM 0 H ILE A 98 16.548 2.787 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 98 15.493 2.790 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 98 13.873 4.499 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 98 15.255 3.786 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.588 3.418 -7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.619 6.114 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 98 16.098 5.146 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.782 4.780 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.730 5.391 -8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 98 13.081 5.828 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.773 6.201 -7.566 1.00 0.00 H new ATOM 122 N CYS A 99 13.201 1.754 -4.052 1.00 0.00 N ATOM 123 CA CYS A 99 11.987 0.952 -3.938 1.00 0.00 C ATOM 124 C CYS A 99 10.932 1.416 -4.939 1.00 0.00 C ATOM 125 O CYS A 99 10.595 2.598 -4.995 1.00 0.00 O ATOM 126 CB CYS A 99 11.425 1.036 -2.517 1.00 0.00 C ATOM 127 SG CYS A 99 12.540 0.390 -1.228 1.00 0.00 S ATOM 0 H CYS A 99 13.491 2.206 -3.185 1.00 0.00 H new ATOM 0 HA CYS A 99 12.245 -0.083 -4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 99 11.193 2.077 -2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.486 0.485 -2.478 1.00 0.00 H new ATOM 132 N SER A 100 10.421 0.474 -5.729 1.00 0.00 N ATOM 133 CA SER A 100 9.407 0.774 -6.734 1.00 0.00 C ATOM 134 C SER A 100 8.278 1.620 -6.150 1.00 0.00 C ATOM 135 O SER A 100 7.698 1.273 -5.121 1.00 0.00 O ATOM 136 CB SER A 100 8.837 -0.523 -7.312 1.00 0.00 C ATOM 137 OG SER A 100 7.855 -0.256 -8.299 1.00 0.00 O ATOM 0 H SER A 100 10.695 -0.508 -5.691 1.00 0.00 H new ATOM 0 HA SER A 100 9.885 1.346 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.642 -1.115 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.399 -1.120 -6.512 1.00 0.00 H new ATOM 0 HG SER A 100 6.978 -0.553 -7.977 1.00 0.00 H new ATOM 143 N LYS A 101 7.967 2.728 -6.818 1.00 0.00 N ATOM 144 CA LYS A 101 6.900 3.616 -6.368 1.00 0.00 C ATOM 145 C LYS A 101 5.562 3.214 -6.987 1.00 0.00 C ATOM 146 O LYS A 101 4.664 4.042 -7.141 1.00 0.00 O ATOM 147 CB LYS A 101 7.219 5.077 -6.715 1.00 0.00 C ATOM 148 CG LYS A 101 7.248 5.376 -8.211 1.00 0.00 C ATOM 149 CD LYS A 101 8.475 4.789 -8.892 1.00 0.00 C ATOM 150 CE LYS A 101 9.761 5.399 -8.354 1.00 0.00 C ATOM 151 NZ LYS A 101 9.811 6.872 -8.570 1.00 0.00 N ATOM 0 H LYS A 101 8.438 3.031 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 101 6.827 3.524 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.477 5.721 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.187 5.337 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.349 4.974 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.231 6.455 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.493 3.710 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.412 4.961 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.846 5.185 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.616 4.931 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.773 7.218 -8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.554 7.087 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.141 7.340 -7.927 1.00 0.00 H new ATOM 165 N SER A 102 5.441 1.939 -7.340 1.00 0.00 N ATOM 166 CA SER A 102 4.217 1.419 -7.943 1.00 0.00 C ATOM 167 C SER A 102 3.069 1.400 -6.936 1.00 0.00 C ATOM 168 O SER A 102 1.932 1.732 -7.269 1.00 0.00 O ATOM 169 CB SER A 102 4.452 0.009 -8.489 1.00 0.00 C ATOM 170 OG SER A 102 4.860 -0.875 -7.458 1.00 0.00 O ATOM 0 H SER A 102 6.178 1.244 -7.219 1.00 0.00 H new ATOM 0 HA SER A 102 3.942 2.082 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.537 -0.363 -8.951 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.213 0.040 -9.269 1.00 0.00 H new ATOM 0 HG SER A 102 5.002 -1.770 -7.832 1.00 0.00 H new ATOM 176 N TYR A 103 3.379 0.995 -5.711 1.00 0.00 N ATOM 177 CA TYR A 103 2.384 0.910 -4.647 1.00 0.00 C ATOM 178 C TYR A 103 1.689 2.249 -4.410 1.00 0.00 C ATOM 179 O TYR A 103 0.519 2.285 -4.030 1.00 0.00 O ATOM 180 CB TYR A 103 3.035 0.411 -3.355 1.00 0.00 C ATOM 181 CG TYR A 103 3.471 -1.037 -3.424 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.364 -1.470 -4.396 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.984 -1.973 -2.520 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.760 -2.793 -4.466 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.374 -3.296 -2.583 1.00 0.00 C ATOM 186 CZ TYR A 103 4.261 -3.701 -3.557 1.00 0.00 C ATOM 187 OH TYR A 103 4.651 -5.019 -3.623 1.00 0.00 O ATOM 0 H TYR A 103 4.319 0.718 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 103 1.622 0.198 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.901 1.033 -3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.331 0.532 -2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.756 -0.761 -5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.289 -1.660 -1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.456 -3.113 -5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.986 -4.010 -1.872 1.00 0.00 H new ATOM 0 HH TYR A 103 4.941 -5.319 -2.736 1.00 0.00 H new ATOM 197 N LEU A 104 2.408 3.345 -4.635 1.00 0.00 N ATOM 198 CA LEU A 104 1.846 4.678 -4.444 1.00 0.00 C ATOM 199 C LEU A 104 0.551 4.847 -5.235 1.00 0.00 C ATOM 200 O LEU A 104 0.400 4.275 -6.311 1.00 0.00 O ATOM 201 CB LEU A 104 2.857 5.750 -4.859 1.00 0.00 C ATOM 202 CG LEU A 104 4.157 5.767 -4.052 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.060 6.898 -4.521 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.864 5.900 -2.565 1.00 0.00 C ATOM 0 H LEU A 104 3.378 3.336 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 104 1.619 4.796 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.103 5.607 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.382 6.727 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 104 4.674 4.822 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.980 6.895 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.300 6.759 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.548 7.851 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.801 5.910 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.324 6.829 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.257 5.056 -2.237 1.00 0.00 H new ATOM 216 N THR A 105 -0.373 5.635 -4.673 1.00 0.00 N ATOM 217 CA THR A 105 -1.682 5.918 -5.279 1.00 0.00 C ATOM 218 C THR A 105 -2.474 4.643 -5.576 1.00 0.00 C ATOM 219 O THR A 105 -1.927 3.646 -6.045 1.00 0.00 O ATOM 220 CB THR A 105 -1.578 6.781 -6.561 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.872 7.292 -6.903 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.035 5.990 -7.742 1.00 0.00 C ATOM 0 H THR A 105 -0.233 6.099 -3.776 1.00 0.00 H new ATOM 0 HA THR A 105 -2.223 6.495 -4.529 1.00 0.00 H new ATOM 0 HB THR A 105 -0.885 7.595 -6.349 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.804 7.839 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.980 6.636 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.039 5.617 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.697 5.150 -7.952 1.00 0.00 H new ATOM 230 N LEU A 106 -3.774 4.689 -5.292 1.00 0.00 N ATOM 231 CA LEU A 106 -4.653 3.545 -5.517 1.00 0.00 C ATOM 232 C LEU A 106 -6.047 4.002 -5.942 1.00 0.00 C ATOM 233 O LEU A 106 -6.581 4.974 -5.407 1.00 0.00 O ATOM 234 CB LEU A 106 -4.745 2.694 -4.248 1.00 0.00 C ATOM 235 CG LEU A 106 -5.686 1.488 -4.335 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.293 0.579 -5.491 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.679 0.718 -3.025 1.00 0.00 C ATOM 0 H LEU A 106 -4.242 5.508 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.230 2.944 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.746 2.337 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.072 3.331 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.697 1.853 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.975 -0.271 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.348 1.136 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.275 0.220 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.352 -0.136 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.669 0.366 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.011 1.371 -2.218 1.00 0.00 H new ATOM 249 N GLU A 107 -6.627 3.296 -6.910 1.00 0.00 N ATOM 250 CA GLU A 107 -7.957 3.628 -7.414 1.00 0.00 C ATOM 251 C GLU A 107 -9.053 3.121 -6.479 1.00 0.00 C ATOM 252 O GLU A 107 -10.055 2.562 -6.927 1.00 0.00 O ATOM 253 CB GLU A 107 -8.156 3.040 -8.813 1.00 0.00 C ATOM 254 CG GLU A 107 -8.047 1.523 -8.857 1.00 0.00 C ATOM 255 CD GLU A 107 -8.288 0.963 -10.244 1.00 0.00 C ATOM 256 OE1 GLU A 107 -7.527 1.321 -11.169 1.00 0.00 O ATOM 257 OE2 GLU A 107 -9.236 0.166 -10.407 1.00 0.00 O ATOM 0 H GLU A 107 -6.196 2.489 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.030 4.714 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.136 3.337 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.415 3.469 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.056 1.223 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.768 1.090 -8.164 1.00 0.00 H new ATOM 264 N ASN A 108 -8.861 3.323 -5.179 1.00 0.00 N ATOM 265 CA ASN A 108 -9.832 2.890 -4.182 1.00 0.00 C ATOM 266 C ASN A 108 -9.682 3.692 -2.894 1.00 0.00 C ATOM 267 O ASN A 108 -10.653 3.902 -2.166 1.00 0.00 O ATOM 268 CB ASN A 108 -9.676 1.396 -3.879 1.00 0.00 C ATOM 269 CG ASN A 108 -9.979 0.515 -5.076 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.092 0.525 -5.603 1.00 0.00 O ATOM 271 ND2 ASN A 108 -8.988 -0.255 -5.509 1.00 0.00 N ATOM 0 H ASN A 108 -8.039 3.785 -4.791 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.826 3.064 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.658 1.204 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -10.340 1.126 -3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -9.133 -0.871 -6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -8.082 -0.231 -5.042 1.00 0.00 H new ATOM 278 N GLY A 109 -8.458 4.129 -2.612 1.00 0.00 N ATOM 279 CA GLY A 109 -8.205 4.895 -1.406 1.00 0.00 C ATOM 280 C GLY A 109 -6.943 5.724 -1.488 1.00 0.00 C ATOM 281 O GLY A 109 -6.629 6.299 -2.531 1.00 0.00 O ATOM 0 H GLY A 109 -7.638 3.966 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.053 5.552 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.132 4.214 -0.558 1.00 0.00 H new ATOM 285 N LYS A 110 -6.229 5.785 -0.377 1.00 0.00 N ATOM 286 CA LYS A 110 -4.990 6.552 -0.294 1.00 0.00 C ATOM 287 C LYS A 110 -3.936 5.793 0.505 1.00 0.00 C ATOM 288 O LYS A 110 -4.262 4.985 1.374 1.00 0.00 O ATOM 289 CB LYS A 110 -5.249 7.917 0.348 1.00 0.00 C ATOM 290 CG LYS A 110 -4.008 8.792 0.461 1.00 0.00 C ATOM 291 CD LYS A 110 -3.438 9.140 -0.906 1.00 0.00 C ATOM 292 CE LYS A 110 -2.203 10.018 -0.785 1.00 0.00 C ATOM 293 NZ LYS A 110 -1.652 10.389 -2.119 1.00 0.00 N ATOM 0 H LYS A 110 -6.486 5.310 0.488 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.616 6.702 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.002 8.445 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.667 7.766 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.257 9.709 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.251 8.275 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.184 8.224 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.195 9.654 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.454 10.923 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.440 9.494 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.811 10.988 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.389 9.527 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.371 10.912 -2.658 1.00 0.00 H new ATOM 307 N VAL A 111 -2.673 6.057 0.196 1.00 0.00 N ATOM 308 CA VAL A 111 -1.562 5.399 0.874 1.00 0.00 C ATOM 309 C VAL A 111 -0.816 6.372 1.784 1.00 0.00 C ATOM 310 O VAL A 111 -0.595 7.528 1.425 1.00 0.00 O ATOM 311 CB VAL A 111 -0.569 4.796 -0.139 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.583 4.107 0.580 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.279 3.824 -1.069 1.00 0.00 C ATOM 0 H VAL A 111 -2.391 6.724 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.988 4.598 1.478 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.158 5.608 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.272 3.689 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.110 4.832 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.193 3.307 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.562 3.408 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.720 3.017 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.064 4.349 -1.613 1.00 0.00 H new ATOM 323 N PHE A 112 -0.431 5.892 2.963 1.00 0.00 N ATOM 324 CA PHE A 112 0.291 6.713 3.929 1.00 0.00 C ATOM 325 C PHE A 112 1.750 6.282 4.032 1.00 0.00 C ATOM 326 O PHE A 112 2.054 5.090 4.049 1.00 0.00 O ATOM 327 CB PHE A 112 -0.369 6.630 5.309 1.00 0.00 C ATOM 328 CG PHE A 112 -1.692 7.342 5.403 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.694 7.110 4.475 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.929 8.244 6.427 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.908 7.765 4.566 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.140 8.902 6.524 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.131 8.663 5.593 1.00 0.00 C ATOM 0 H PHE A 112 -0.608 4.936 3.273 1.00 0.00 H new ATOM 0 HA PHE A 112 0.255 7.744 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.514 5.581 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.311 7.050 6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.525 6.409 3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.158 8.435 7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.681 7.575 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.311 9.603 7.328 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.078 9.176 5.667 1.00 0.00 H new ATOM 343 N LEU A 113 2.646 7.265 4.088 1.00 0.00 N ATOM 344 CA LEU A 113 4.077 7.012 4.177 1.00 0.00 C ATOM 345 C LEU A 113 4.587 6.485 2.848 1.00 0.00 C ATOM 346 O LEU A 113 3.979 5.603 2.242 1.00 0.00 O ATOM 347 CB LEU A 113 4.393 6.019 5.304 1.00 0.00 C ATOM 348 CG LEU A 113 5.789 6.149 5.933 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.888 5.925 4.903 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.943 7.512 6.587 1.00 0.00 C ATOM 0 H LEU A 113 2.399 8.255 4.073 1.00 0.00 H new ATOM 0 HA LEU A 113 4.581 7.950 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.648 6.140 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.283 5.007 4.914 1.00 0.00 H new ATOM 0 HG LEU A 113 5.888 5.376 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.862 6.024 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.792 4.925 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.798 6.665 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.936 7.593 7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.815 8.292 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.188 7.630 7.365 1.00 0.00 H new ATOM 362 N THR A 114 5.701 7.035 2.397 1.00 0.00 N ATOM 363 CA THR A 114 6.288 6.629 1.135 1.00 0.00 C ATOM 364 C THR A 114 7.756 6.240 1.321 1.00 0.00 C ATOM 365 O THR A 114 8.088 5.465 2.219 1.00 0.00 O ATOM 366 CB THR A 114 6.174 7.748 0.082 1.00 0.00 C ATOM 367 OG1 THR A 114 6.916 8.899 0.508 1.00 0.00 O ATOM 368 CG2 THR A 114 4.720 8.135 -0.139 1.00 0.00 C ATOM 0 H THR A 114 6.217 7.765 2.888 1.00 0.00 H new ATOM 0 HA THR A 114 5.733 5.761 0.779 1.00 0.00 H new ATOM 0 HB THR A 114 6.584 7.376 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 114 6.840 9.605 -0.167 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.664 8.927 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.161 7.266 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 114 4.291 8.490 0.798 1.00 0.00 H new ATOM 376 N GLY A 115 8.635 6.783 0.479 1.00 0.00 N ATOM 377 CA GLY A 115 10.050 6.478 0.589 1.00 0.00 C ATOM 378 C GLY A 115 10.629 6.933 1.916 1.00 0.00 C ATOM 379 O GLY A 115 10.375 8.052 2.358 1.00 0.00 O ATOM 0 H GLY A 115 8.392 7.426 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.199 5.404 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.589 6.961 -0.226 1.00 0.00 H new ATOM 383 N GLY A 116 11.404 6.061 2.554 1.00 0.00 N ATOM 384 CA GLY A 116 12.000 6.397 3.835 1.00 0.00 C ATOM 385 C GLY A 116 12.970 7.559 3.746 1.00 0.00 C ATOM 386 O GLY A 116 12.897 8.497 4.539 1.00 0.00 O ATOM 0 H GLY A 116 11.630 5.129 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.210 6.643 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.521 5.524 4.228 1.00 0.00 H new ATOM 390 N ASP A 117 13.882 7.496 2.780 1.00 0.00 N ATOM 391 CA ASP A 117 14.876 8.546 2.591 1.00 0.00 C ATOM 392 C ASP A 117 15.696 8.276 1.335 1.00 0.00 C ATOM 393 O ASP A 117 16.910 8.092 1.406 1.00 0.00 O ATOM 394 CB ASP A 117 15.796 8.637 3.812 1.00 0.00 C ATOM 395 CG ASP A 117 16.821 9.747 3.686 1.00 0.00 C ATOM 396 OD1 ASP A 117 16.413 10.920 3.551 1.00 0.00 O ATOM 397 OD2 ASP A 117 18.032 9.444 3.721 1.00 0.00 O ATOM 0 H ASP A 117 13.953 6.726 2.115 1.00 0.00 H new ATOM 0 HA ASP A 117 14.357 9.497 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.194 8.803 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.310 7.686 3.947 1.00 0.00 H new ATOM 402 N LEU A 118 15.012 8.239 0.191 1.00 0.00 N ATOM 403 CA LEU A 118 15.659 7.976 -1.093 1.00 0.00 C ATOM 404 C LEU A 118 17.077 8.545 -1.127 1.00 0.00 C ATOM 405 O LEU A 118 17.302 9.691 -0.738 1.00 0.00 O ATOM 406 CB LEU A 118 14.839 8.566 -2.248 1.00 0.00 C ATOM 407 CG LEU A 118 13.519 7.850 -2.558 1.00 0.00 C ATOM 408 CD1 LEU A 118 12.537 7.993 -1.404 1.00 0.00 C ATOM 409 CD2 LEU A 118 12.909 8.398 -3.838 1.00 0.00 C ATOM 0 H LEU A 118 14.005 8.389 0.129 1.00 0.00 H new ATOM 0 HA LEU A 118 15.716 6.894 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.621 9.609 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.455 8.559 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 118 13.733 6.790 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.609 7.476 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.968 7.556 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.329 9.049 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 118 11.972 7.880 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.716 9.464 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.601 8.243 -4.666 1.00 0.00 H new ATOM 421 N PRO A 119 18.057 7.746 -1.588 1.00 0.00 N ATOM 422 CA PRO A 119 17.834 6.376 -2.060 1.00 0.00 C ATOM 423 C PRO A 119 17.860 5.333 -0.940 1.00 0.00 C ATOM 424 O PRO A 119 18.495 4.288 -1.078 1.00 0.00 O ATOM 425 CB PRO A 119 19.011 6.165 -3.005 1.00 0.00 C ATOM 426 CG PRO A 119 20.120 6.955 -2.394 1.00 0.00 C ATOM 427 CD PRO A 119 19.478 8.128 -1.692 1.00 0.00 C ATOM 0 HA PRO A 119 16.850 6.256 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.272 5.110 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 119 18.781 6.515 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.688 6.346 -1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.819 7.296 -3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.919 8.296 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.603 9.050 -2.259 1.00 0.00 H new ATOM 435 N ALA A 120 17.171 5.611 0.167 1.00 0.00 N ATOM 436 CA ALA A 120 17.129 4.675 1.288 1.00 0.00 C ATOM 437 C ALA A 120 16.031 3.634 1.096 1.00 0.00 C ATOM 438 O ALA A 120 14.874 3.980 0.854 1.00 0.00 O ATOM 439 CB ALA A 120 16.925 5.423 2.597 1.00 0.00 C ATOM 0 H ALA A 120 16.639 6.469 0.310 1.00 0.00 H new ATOM 0 HA ALA A 120 18.086 4.154 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.896 4.711 3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.748 6.121 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.985 5.973 2.559 1.00 0.00 H new ATOM 445 N LEU A 121 16.397 2.360 1.209 1.00 0.00 N ATOM 446 CA LEU A 121 15.435 1.273 1.052 1.00 0.00 C ATOM 447 C LEU A 121 15.016 0.713 2.407 1.00 0.00 C ATOM 448 O LEU A 121 13.838 0.438 2.636 1.00 0.00 O ATOM 449 CB LEU A 121 16.013 0.152 0.183 1.00 0.00 C ATOM 450 CG LEU A 121 16.289 0.527 -1.275 1.00 0.00 C ATOM 451 CD1 LEU A 121 17.470 1.483 -1.372 1.00 0.00 C ATOM 452 CD2 LEU A 121 16.552 -0.722 -2.101 1.00 0.00 C ATOM 0 H LEU A 121 17.350 2.056 1.408 1.00 0.00 H new ATOM 0 HA LEU A 121 14.555 1.683 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.944 -0.191 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.321 -0.690 0.199 1.00 0.00 H new ATOM 0 HG LEU A 121 15.407 1.030 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 121 17.648 1.736 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.250 2.391 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 121 18.359 1.007 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 121 16.747 -0.440 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.418 -1.248 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 121 15.680 -1.375 -2.061 1.00 0.00 H new ATOM 464 N ASP A 122 15.989 0.541 3.298 1.00 0.00 N ATOM 465 CA ASP A 122 15.730 0.012 4.635 1.00 0.00 C ATOM 466 C ASP A 122 15.057 1.062 5.517 1.00 0.00 C ATOM 467 O ASP A 122 15.602 1.469 6.543 1.00 0.00 O ATOM 468 CB ASP A 122 17.036 -0.463 5.279 1.00 0.00 C ATOM 469 CG ASP A 122 16.822 -1.059 6.657 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.077 -2.055 6.764 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.399 -0.528 7.629 1.00 0.00 O ATOM 0 H ASP A 122 16.968 0.761 3.117 1.00 0.00 H new ATOM 0 HA ASP A 122 15.053 -0.837 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.506 -1.206 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 122 17.727 0.377 5.353 1.00 0.00 H new ATOM 476 N GLY A 123 13.873 1.503 5.105 1.00 0.00 N ATOM 477 CA GLY A 123 13.147 2.505 5.861 1.00 0.00 C ATOM 478 C GLY A 123 11.795 2.819 5.251 1.00 0.00 C ATOM 479 O GLY A 123 10.841 3.125 5.966 1.00 0.00 O ATOM 0 H GLY A 123 13.403 1.183 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.009 2.155 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.740 3.418 5.913 1.00 0.00 H new ATOM 483 N ALA A 124 11.717 2.744 3.924 1.00 0.00 N ATOM 484 CA ALA A 124 10.477 3.026 3.211 1.00 0.00 C ATOM 485 C ALA A 124 9.315 2.223 3.788 1.00 0.00 C ATOM 486 O ALA A 124 9.409 1.007 3.958 1.00 0.00 O ATOM 487 CB ALA A 124 10.644 2.726 1.729 1.00 0.00 C ATOM 0 H ALA A 124 12.500 2.490 3.322 1.00 0.00 H new ATOM 0 HA ALA A 124 10.248 4.084 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.711 2.940 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.440 3.348 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.900 1.675 1.597 1.00 0.00 H new ATOM 493 N ARG A 125 8.221 2.916 4.091 1.00 0.00 N ATOM 494 CA ARG A 125 7.036 2.277 4.656 1.00 0.00 C ATOM 495 C ARG A 125 5.770 2.780 3.967 1.00 0.00 C ATOM 496 O ARG A 125 5.753 3.873 3.408 1.00 0.00 O ATOM 497 CB ARG A 125 6.964 2.545 6.162 1.00 0.00 C ATOM 498 CG ARG A 125 5.791 1.865 6.853 1.00 0.00 C ATOM 499 CD ARG A 125 5.852 2.048 8.361 1.00 0.00 C ATOM 500 NE ARG A 125 5.817 3.456 8.751 1.00 0.00 N ATOM 501 CZ ARG A 125 4.783 4.262 8.527 1.00 0.00 C ATOM 502 NH1 ARG A 125 3.698 3.804 7.917 1.00 0.00 N ATOM 503 NH2 ARG A 125 4.834 5.529 8.916 1.00 0.00 N ATOM 0 H ARG A 125 8.130 3.923 3.954 1.00 0.00 H new ATOM 0 HA ARG A 125 7.110 1.202 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.891 2.209 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.897 3.620 6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.855 2.275 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.793 0.802 6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.015 1.525 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.764 1.590 8.744 1.00 0.00 H new ATOM 0 HE ARG A 125 6.634 3.844 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.654 2.830 7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.907 4.426 7.747 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.666 5.885 9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.041 6.147 8.744 1.00 0.00 H new ATOM 517 N VAL A 126 4.712 1.978 4.010 1.00 0.00 N ATOM 518 CA VAL A 126 3.444 2.356 3.391 1.00 0.00 C ATOM 519 C VAL A 126 2.267 1.691 4.100 1.00 0.00 C ATOM 520 O VAL A 126 2.307 0.497 4.410 1.00 0.00 O ATOM 521 CB VAL A 126 3.390 1.980 1.894 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.336 2.845 1.078 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.707 0.506 1.701 1.00 0.00 C ATOM 0 H VAL A 126 4.705 1.065 4.465 1.00 0.00 H new ATOM 0 HA VAL A 126 3.372 3.440 3.485 1.00 0.00 H new ATOM 0 HB VAL A 126 2.377 2.164 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.277 2.558 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.054 3.893 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.356 2.706 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.664 0.260 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.706 0.296 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.978 -0.097 2.243 1.00 0.00 H new ATOM 533 N GLU A 127 1.218 2.470 4.341 1.00 0.00 N ATOM 534 CA GLU A 127 0.020 1.966 5.000 1.00 0.00 C ATOM 535 C GLU A 127 -1.193 2.154 4.098 1.00 0.00 C ATOM 536 O GLU A 127 -1.701 3.265 3.948 1.00 0.00 O ATOM 537 CB GLU A 127 -0.199 2.689 6.330 1.00 0.00 C ATOM 538 CG GLU A 127 0.943 2.510 7.315 1.00 0.00 C ATOM 539 CD GLU A 127 0.726 3.277 8.604 1.00 0.00 C ATOM 540 OE1 GLU A 127 0.605 4.519 8.544 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.678 2.635 9.675 1.00 0.00 O ATOM 0 H GLU A 127 1.174 3.457 4.088 1.00 0.00 H new ATOM 0 HA GLU A 127 0.153 0.902 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.338 3.753 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.120 2.325 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.059 1.450 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.873 2.841 6.852 1.00 0.00 H new ATOM 548 N PHE A 128 -1.646 1.064 3.494 1.00 0.00 N ATOM 549 CA PHE A 128 -2.793 1.107 2.597 1.00 0.00 C ATOM 550 C PHE A 128 -4.111 1.158 3.359 1.00 0.00 C ATOM 551 O PHE A 128 -4.267 0.530 4.406 1.00 0.00 O ATOM 552 CB PHE A 128 -2.783 -0.096 1.651 1.00 0.00 C ATOM 553 CG PHE A 128 -1.755 -0.001 0.561 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.420 0.227 0.858 1.00 0.00 C ATOM 555 CD2 PHE A 128 -2.128 -0.133 -0.767 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.522 0.320 -0.148 1.00 0.00 C ATOM 557 CE2 PHE A 128 -1.190 -0.042 -1.777 1.00 0.00 C ATOM 558 CZ PHE A 128 0.137 0.185 -1.467 1.00 0.00 C ATOM 0 H PHE A 128 -1.236 0.137 3.609 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.709 2.024 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.602 -1.001 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.770 -0.199 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.113 0.333 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -3.164 -0.309 -1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.559 0.498 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.494 -0.148 -2.808 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.872 0.257 -2.255 1.00 0.00 H new ATOM 568 N ARG A 129 -5.060 1.903 2.805 1.00 0.00 N ATOM 569 CA ARG A 129 -6.384 2.045 3.394 1.00 0.00 C ATOM 570 C ARG A 129 -7.333 2.672 2.378 1.00 0.00 C ATOM 571 O ARG A 129 -7.057 3.741 1.832 1.00 0.00 O ATOM 572 CB ARG A 129 -6.329 2.894 4.667 1.00 0.00 C ATOM 573 CG ARG A 129 -5.816 4.304 4.448 1.00 0.00 C ATOM 574 CD ARG A 129 -5.832 5.109 5.737 1.00 0.00 C ATOM 575 NE ARG A 129 -7.180 5.247 6.286 1.00 0.00 N ATOM 576 CZ ARG A 129 -8.167 5.894 5.672 1.00 0.00 C ATOM 577 NH1 ARG A 129 -7.958 6.474 4.497 1.00 0.00 N ATOM 578 NH2 ARG A 129 -9.366 5.965 6.236 1.00 0.00 N ATOM 0 H ARG A 129 -4.933 2.424 1.937 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.752 1.056 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.328 2.945 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.690 2.395 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.800 4.266 4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.430 4.803 3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.190 4.626 6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.415 6.098 5.550 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.375 4.822 7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.037 6.425 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -8.718 6.969 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.531 5.523 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.123 6.461 5.765 1.00 0.00 H new ATOM 592 N CYS A 130 -8.438 1.988 2.108 1.00 0.00 N ATOM 593 CA CYS A 130 -9.410 2.471 1.133 1.00 0.00 C ATOM 594 C CYS A 130 -10.467 3.374 1.762 1.00 0.00 C ATOM 595 O CYS A 130 -10.818 3.229 2.934 1.00 0.00 O ATOM 596 CB CYS A 130 -10.067 1.295 0.413 1.00 0.00 C ATOM 597 SG CYS A 130 -8.934 0.398 -0.698 1.00 0.00 S ATOM 0 H CYS A 130 -8.684 1.101 2.548 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.867 3.077 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.462 0.600 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.916 1.661 -0.165 1.00 0.00 H new ATOM 602 N ASP A 131 -10.957 4.316 0.958 1.00 0.00 N ATOM 603 CA ASP A 131 -11.970 5.277 1.388 1.00 0.00 C ATOM 604 C ASP A 131 -13.187 4.587 2.003 1.00 0.00 C ATOM 605 O ASP A 131 -13.420 3.403 1.770 1.00 0.00 O ATOM 606 CB ASP A 131 -12.410 6.127 0.193 1.00 0.00 C ATOM 607 CG ASP A 131 -11.272 6.944 -0.385 1.00 0.00 C ATOM 608 OD1 ASP A 131 -10.699 7.771 0.354 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.952 6.756 -1.579 1.00 0.00 O ATOM 0 H ASP A 131 -10.662 4.434 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.524 5.910 2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.817 5.477 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.213 6.796 0.502 1.00 0.00 H new ATOM 614 N PRO A 132 -13.980 5.334 2.803 1.00 0.00 N ATOM 615 CA PRO A 132 -15.185 4.805 3.460 1.00 0.00 C ATOM 616 C PRO A 132 -16.208 4.272 2.460 1.00 0.00 C ATOM 617 O PRO A 132 -17.219 4.918 2.180 1.00 0.00 O ATOM 618 CB PRO A 132 -15.754 6.013 4.217 1.00 0.00 C ATOM 619 CG PRO A 132 -15.124 7.203 3.580 1.00 0.00 C ATOM 620 CD PRO A 132 -13.766 6.754 3.128 1.00 0.00 C ATOM 0 HA PRO A 132 -14.950 3.959 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.840 6.052 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.514 5.961 5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.719 7.557 2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.047 8.030 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.421 7.319 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.017 6.881 3.910 1.00 0.00 H new ATOM 628 N ASP A 133 -15.930 3.089 1.932 1.00 0.00 N ATOM 629 CA ASP A 133 -16.797 2.434 0.963 1.00 0.00 C ATOM 630 C ASP A 133 -16.237 1.055 0.651 1.00 0.00 C ATOM 631 O ASP A 133 -16.969 0.068 0.581 1.00 0.00 O ATOM 632 CB ASP A 133 -16.905 3.265 -0.318 1.00 0.00 C ATOM 633 CG ASP A 133 -17.859 2.658 -1.329 1.00 0.00 C ATOM 634 OD1 ASP A 133 -17.608 1.517 -1.772 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.857 3.323 -1.678 1.00 0.00 O ATOM 0 H ASP A 133 -15.093 2.554 2.165 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.798 2.338 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.240 4.271 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.917 3.361 -0.769 1.00 0.00 H new ATOM 640 N PHE A 134 -14.922 1.002 0.493 1.00 0.00 N ATOM 641 CA PHE A 134 -14.224 -0.243 0.220 1.00 0.00 C ATOM 642 C PHE A 134 -13.425 -0.656 1.450 1.00 0.00 C ATOM 643 O PHE A 134 -12.705 0.160 2.024 1.00 0.00 O ATOM 644 CB PHE A 134 -13.275 -0.088 -0.974 1.00 0.00 C ATOM 645 CG PHE A 134 -13.941 0.358 -2.246 1.00 0.00 C ATOM 646 CD1 PHE A 134 -14.502 1.623 -2.351 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.000 -0.489 -3.340 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.109 2.031 -3.524 1.00 0.00 C ATOM 649 CE2 PHE A 134 -14.606 -0.087 -4.515 1.00 0.00 C ATOM 650 CZ PHE A 134 -15.161 1.175 -4.607 1.00 0.00 C ATOM 0 H PHE A 134 -14.313 1.818 0.550 1.00 0.00 H new ATOM 0 HA PHE A 134 -14.962 -1.008 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.499 0.631 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -12.779 -1.042 -1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.464 2.296 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -13.567 -1.476 -3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -15.542 3.018 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -14.646 -0.758 -5.360 1.00 0.00 H new ATOM 0 HZ PHE A 134 -15.635 1.492 -5.524 1.00 0.00 H new ATOM 660 N HIS A 135 -13.545 -1.914 1.854 1.00 0.00 N ATOM 661 CA HIS A 135 -12.812 -2.390 3.020 1.00 0.00 C ATOM 662 C HIS A 135 -11.581 -3.185 2.601 1.00 0.00 C ATOM 663 O HIS A 135 -11.678 -4.183 1.886 1.00 0.00 O ATOM 664 CB HIS A 135 -13.716 -3.223 3.944 1.00 0.00 C ATOM 665 CG HIS A 135 -14.434 -4.361 3.278 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.456 -4.777 1.989 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -15.264 -5.222 3.966 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -15.290 -5.867 1.924 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -15.763 -6.115 3.130 1.00 0.00 N flip ATOM 0 H HIS A 135 -14.133 -2.613 1.400 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.477 -1.518 3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -13.109 -3.623 4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.456 -2.562 4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.473 -5.173 5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -15.521 -6.429 1.031 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.405 -6.868 3.376 1.00 0.00 H new ATOM 678 N LEU A 136 -10.420 -2.721 3.049 1.00 0.00 N ATOM 679 CA LEU A 136 -9.157 -3.369 2.726 1.00 0.00 C ATOM 680 C LEU A 136 -9.061 -4.711 3.445 1.00 0.00 C ATOM 681 O LEU A 136 -9.217 -4.784 4.664 1.00 0.00 O ATOM 682 CB LEU A 136 -7.994 -2.450 3.118 1.00 0.00 C ATOM 683 CG LEU A 136 -6.636 -2.796 2.501 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.645 -1.671 2.744 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.101 -4.097 3.070 1.00 0.00 C ATOM 0 H LEU A 136 -10.329 -1.894 3.640 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.105 -3.555 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.251 -1.429 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.893 -2.465 4.203 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.771 -2.921 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.684 -1.930 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -6.018 -0.753 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.521 -1.521 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.136 -4.322 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.982 -4.000 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.801 -4.904 2.853 1.00 0.00 H new ATOM 697 N VAL A 137 -8.821 -5.774 2.682 1.00 0.00 N ATOM 698 CA VAL A 137 -8.726 -7.113 3.252 1.00 0.00 C ATOM 699 C VAL A 137 -7.520 -7.873 2.703 1.00 0.00 C ATOM 700 O VAL A 137 -7.678 -8.899 2.039 1.00 0.00 O ATOM 701 CB VAL A 137 -10.005 -7.929 2.966 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.013 -9.219 3.774 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.250 -7.102 3.250 1.00 0.00 C ATOM 0 H VAL A 137 -8.689 -5.734 1.671 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.606 -6.989 4.328 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.011 -8.192 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.923 -9.778 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.145 -9.821 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.977 -8.982 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.138 -7.698 3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.254 -6.799 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.251 -6.216 2.616 1.00 0.00 H new ATOM 713 N GLY A 138 -6.316 -7.374 2.971 1.00 0.00 N ATOM 714 CA GLY A 138 -5.131 -8.048 2.476 1.00 0.00 C ATOM 715 C GLY A 138 -3.844 -7.504 3.058 1.00 0.00 C ATOM 716 O GLY A 138 -3.749 -7.270 4.263 1.00 0.00 O ATOM 0 H GLY A 138 -6.142 -6.528 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.204 -9.111 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.097 -7.958 1.390 1.00 0.00 H new ATOM 720 N SER A 139 -2.851 -7.313 2.195 1.00 0.00 N ATOM 721 CA SER A 139 -1.554 -6.801 2.600 1.00 0.00 C ATOM 722 C SER A 139 -1.620 -5.302 2.881 1.00 0.00 C ATOM 723 O SER A 139 -0.896 -4.512 2.274 1.00 0.00 O ATOM 724 CB SER A 139 -0.530 -7.084 1.506 1.00 0.00 C ATOM 725 OG SER A 139 -0.390 -8.476 1.284 1.00 0.00 O ATOM 0 H SER A 139 -2.926 -7.510 1.197 1.00 0.00 H new ATOM 0 HA SER A 139 -1.254 -7.303 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.837 -6.595 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.434 -6.659 1.787 1.00 0.00 H new ATOM 0 HG SER A 139 0.104 -8.626 0.451 1.00 0.00 H new ATOM 731 N SER A 140 -2.499 -4.921 3.799 1.00 0.00 N ATOM 732 CA SER A 140 -2.681 -3.529 4.167 1.00 0.00 C ATOM 733 C SER A 140 -1.349 -2.868 4.518 1.00 0.00 C ATOM 734 O SER A 140 -1.081 -1.740 4.103 1.00 0.00 O ATOM 735 CB SER A 140 -3.645 -3.447 5.347 1.00 0.00 C ATOM 736 OG SER A 140 -3.099 -4.070 6.498 1.00 0.00 O ATOM 0 H SER A 140 -3.102 -5.568 4.306 1.00 0.00 H new ATOM 0 HA SER A 140 -3.097 -2.991 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.868 -2.403 5.566 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.588 -3.926 5.084 1.00 0.00 H new ATOM 0 HG SER A 140 -3.736 -4.002 7.240 1.00 0.00 H new ATOM 742 N ARG A 141 -0.518 -3.573 5.281 1.00 0.00 N ATOM 743 CA ARG A 141 0.785 -3.048 5.682 1.00 0.00 C ATOM 744 C ARG A 141 1.895 -3.611 4.795 1.00 0.00 C ATOM 745 O ARG A 141 1.888 -4.795 4.459 1.00 0.00 O ATOM 746 CB ARG A 141 1.063 -3.386 7.148 1.00 0.00 C ATOM 747 CG ARG A 141 2.335 -2.754 7.691 1.00 0.00 C ATOM 748 CD ARG A 141 2.568 -3.137 9.144 1.00 0.00 C ATOM 749 NE ARG A 141 1.454 -2.739 10.000 1.00 0.00 N ATOM 750 CZ ARG A 141 1.391 -3.006 11.301 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.374 -3.671 11.894 1.00 0.00 N ATOM 752 NH2 ARG A 141 0.344 -2.608 12.011 1.00 0.00 N ATOM 0 H ARG A 141 -0.723 -4.508 5.634 1.00 0.00 H new ATOM 0 HA ARG A 141 0.767 -1.965 5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.218 -3.058 7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.131 -4.469 7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.186 -3.071 7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.270 -1.669 7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.713 -4.215 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.485 -2.667 9.500 1.00 0.00 H new ATOM 0 HE ARG A 141 0.680 -2.227 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 141 3.181 -3.979 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.323 -3.874 12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.414 -2.097 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.297 -2.813 13.009 1.00 0.00 H new ATOM 766 N SER A 142 2.844 -2.757 4.418 1.00 0.00 N ATOM 767 CA SER A 142 3.957 -3.171 3.565 1.00 0.00 C ATOM 768 C SER A 142 5.206 -2.341 3.859 1.00 0.00 C ATOM 769 O SER A 142 5.120 -1.131 4.073 1.00 0.00 O ATOM 770 CB SER A 142 3.574 -3.027 2.091 1.00 0.00 C ATOM 771 OG SER A 142 4.631 -3.441 1.245 1.00 0.00 O ATOM 0 H SER A 142 2.865 -1.774 4.689 1.00 0.00 H new ATOM 0 HA SER A 142 4.178 -4.217 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.684 -3.622 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.320 -1.989 1.878 1.00 0.00 H new ATOM 0 HG SER A 142 4.296 -4.100 0.601 1.00 0.00 H new ATOM 777 N VAL A 143 6.365 -2.997 3.871 1.00 0.00 N ATOM 778 CA VAL A 143 7.627 -2.315 4.144 1.00 0.00 C ATOM 779 C VAL A 143 8.730 -2.792 3.198 1.00 0.00 C ATOM 780 O VAL A 143 8.975 -3.991 3.065 1.00 0.00 O ATOM 781 CB VAL A 143 8.077 -2.531 5.603 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.177 -4.016 5.921 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.400 -1.829 5.869 1.00 0.00 C ATOM 0 H VAL A 143 6.456 -3.998 3.695 1.00 0.00 H new ATOM 0 HA VAL A 143 7.455 -1.251 3.981 1.00 0.00 H new ATOM 0 HB VAL A 143 7.325 -2.094 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.496 -4.146 6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.203 -4.485 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.904 -4.482 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.698 -1.995 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.164 -2.229 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.287 -0.760 5.691 1.00 0.00 H new ATOM 793 N CYS A 144 9.384 -1.842 2.537 1.00 0.00 N ATOM 794 CA CYS A 144 10.454 -2.154 1.593 1.00 0.00 C ATOM 795 C CYS A 144 11.808 -2.252 2.291 1.00 0.00 C ATOM 796 O CYS A 144 12.057 -1.574 3.288 1.00 0.00 O ATOM 797 CB CYS A 144 10.517 -1.098 0.488 1.00 0.00 C ATOM 798 SG CYS A 144 11.768 -1.438 -0.794 1.00 0.00 S ATOM 0 H CYS A 144 9.191 -0.845 2.638 1.00 0.00 H new ATOM 0 HA CYS A 144 10.228 -3.125 1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.538 -1.024 0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.728 -0.128 0.938 1.00 0.00 H new ATOM 803 N SER A 145 12.680 -3.096 1.748 1.00 0.00 N ATOM 804 CA SER A 145 14.017 -3.286 2.296 1.00 0.00 C ATOM 805 C SER A 145 14.889 -4.053 1.305 1.00 0.00 C ATOM 806 O SER A 145 15.799 -4.786 1.695 1.00 0.00 O ATOM 807 CB SER A 145 13.948 -4.036 3.628 1.00 0.00 C ATOM 808 OG SER A 145 15.237 -4.192 4.196 1.00 0.00 O ATOM 0 H SER A 145 12.482 -3.662 0.923 1.00 0.00 H new ATOM 0 HA SER A 145 14.462 -2.306 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.306 -3.493 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.495 -5.015 3.474 1.00 0.00 H new ATOM 0 HG SER A 145 15.855 -4.534 3.516 1.00 0.00 H new ATOM 814 N GLN A 146 14.595 -3.868 0.019 1.00 0.00 N ATOM 815 CA GLN A 146 15.330 -4.525 -1.059 1.00 0.00 C ATOM 816 C GLN A 146 14.686 -4.193 -2.403 1.00 0.00 C ATOM 817 O GLN A 146 14.506 -5.063 -3.256 1.00 0.00 O ATOM 818 CB GLN A 146 15.354 -6.044 -0.845 1.00 0.00 C ATOM 819 CG GLN A 146 16.226 -6.794 -1.840 1.00 0.00 C ATOM 820 CD GLN A 146 16.212 -8.293 -1.613 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.158 -8.929 -1.661 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.383 -8.866 -1.367 1.00 0.00 N ATOM 0 H GLN A 146 13.842 -3.260 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 146 16.357 -4.160 -1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.709 -6.253 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.335 -6.426 -0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.882 -6.580 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.250 -6.429 -1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.231 -8.300 -1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.435 -9.872 -1.208 1.00 0.00 H new ATOM 831 N GLY A 147 14.328 -2.924 -2.579 1.00 0.00 N ATOM 832 CA GLY A 147 13.689 -2.491 -3.808 1.00 0.00 C ATOM 833 C GLY A 147 12.221 -2.869 -3.848 1.00 0.00 C ATOM 834 O GLY A 147 11.361 -2.025 -4.099 1.00 0.00 O ATOM 0 H GLY A 147 14.470 -2.186 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.788 -1.410 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.202 -2.937 -4.660 1.00 0.00 H new ATOM 838 N GLN A 148 11.936 -4.139 -3.586 1.00 0.00 N ATOM 839 CA GLN A 148 10.566 -4.633 -3.575 1.00 0.00 C ATOM 840 C GLN A 148 9.954 -4.467 -2.188 1.00 0.00 C ATOM 841 O GLN A 148 10.660 -4.525 -1.180 1.00 0.00 O ATOM 842 CB GLN A 148 10.527 -6.105 -3.991 1.00 0.00 C ATOM 843 CG GLN A 148 11.131 -6.368 -5.362 1.00 0.00 C ATOM 844 CD GLN A 148 10.445 -5.584 -6.463 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.247 -5.742 -6.698 1.00 0.00 O ATOM 846 NE2 GLN A 148 11.203 -4.733 -7.143 1.00 0.00 N ATOM 0 H GLN A 148 12.639 -4.848 -3.378 1.00 0.00 H new ATOM 0 HA GLN A 148 9.984 -4.051 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.061 -6.698 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.492 -6.447 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.190 -6.110 -5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.066 -7.433 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.192 -4.635 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.797 -4.177 -7.895 1.00 0.00 H new ATOM 855 N TRP A 149 8.643 -4.263 -2.136 1.00 0.00 N ATOM 856 CA TRP A 149 7.955 -4.094 -0.862 1.00 0.00 C ATOM 857 C TRP A 149 7.609 -5.445 -0.246 1.00 0.00 C ATOM 858 O TRP A 149 7.338 -6.414 -0.957 1.00 0.00 O ATOM 859 CB TRP A 149 6.695 -3.244 -1.029 1.00 0.00 C ATOM 860 CG TRP A 149 6.986 -1.791 -1.251 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.242 -1.170 -2.441 1.00 0.00 C ATOM 862 CD2 TRP A 149 7.081 -0.780 -0.243 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.470 0.172 -2.232 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.380 0.433 -0.889 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.934 -0.786 1.145 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.535 1.630 -0.188 1.00 0.00 C ATOM 867 CZ3 TRP A 149 7.091 0.398 1.837 1.00 0.00 C ATOM 868 CH2 TRP A 149 7.388 1.592 1.170 1.00 0.00 C ATOM 0 H TRP A 149 8.038 -4.211 -2.956 1.00 0.00 H new ATOM 0 HA TRP A 149 8.632 -3.573 -0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.117 -3.625 -1.871 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.072 -3.351 -0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.263 -1.659 -3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.673 0.859 -2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.701 -1.701 1.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.763 2.553 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.983 0.403 2.912 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.503 2.502 1.740 1.00 0.00 H new ATOM 879 N SER A 150 7.646 -5.501 1.084 1.00 0.00 N ATOM 880 CA SER A 150 7.364 -6.731 1.821 1.00 0.00 C ATOM 881 C SER A 150 6.130 -7.447 1.282 1.00 0.00 C ATOM 882 O SER A 150 6.198 -8.622 0.921 1.00 0.00 O ATOM 883 CB SER A 150 7.173 -6.422 3.306 1.00 0.00 C ATOM 884 OG SER A 150 6.886 -7.598 4.040 1.00 0.00 O ATOM 0 H SER A 150 7.870 -4.702 1.677 1.00 0.00 H new ATOM 0 HA SER A 150 8.219 -7.394 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.074 -5.954 3.702 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.361 -5.705 3.430 1.00 0.00 H new ATOM 0 HG SER A 150 6.770 -7.373 4.987 1.00 0.00 H new ATOM 890 N THR A 151 5.002 -6.746 1.235 1.00 0.00 N ATOM 891 CA THR A 151 3.768 -7.348 0.744 1.00 0.00 C ATOM 892 C THR A 151 3.142 -6.522 -0.379 1.00 0.00 C ATOM 893 O THR A 151 3.019 -5.302 -0.270 1.00 0.00 O ATOM 894 CB THR A 151 2.741 -7.515 1.875 1.00 0.00 C ATOM 895 OG1 THR A 151 2.393 -6.234 2.411 1.00 0.00 O ATOM 896 CG2 THR A 151 3.295 -8.399 2.981 1.00 0.00 C ATOM 0 H THR A 151 4.916 -5.772 1.527 1.00 0.00 H new ATOM 0 HA THR A 151 4.037 -8.329 0.352 1.00 0.00 H new ATOM 0 HB THR A 151 1.851 -7.991 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.376 -6.283 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.551 -8.503 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.534 -9.382 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.198 -7.946 3.391 1.00 0.00 H new ATOM 904 N PRO A 152 2.735 -7.186 -1.477 1.00 0.00 N ATOM 905 CA PRO A 152 2.114 -6.521 -2.629 1.00 0.00 C ATOM 906 C PRO A 152 0.783 -5.869 -2.273 1.00 0.00 C ATOM 907 O PRO A 152 0.122 -6.271 -1.317 1.00 0.00 O ATOM 908 CB PRO A 152 1.899 -7.654 -3.642 1.00 0.00 C ATOM 909 CG PRO A 152 2.772 -8.769 -3.176 1.00 0.00 C ATOM 910 CD PRO A 152 2.843 -8.640 -1.683 1.00 0.00 C ATOM 0 HA PRO A 152 2.739 -5.713 -3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.853 -7.960 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.169 -7.337 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 152 2.359 -9.735 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.764 -8.700 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 152 2.034 -9.180 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.778 -9.037 -1.286 1.00 0.00 H new ATOM 918 N LYS A 153 0.399 -4.859 -3.050 1.00 0.00 N ATOM 919 CA LYS A 153 -0.854 -4.145 -2.822 1.00 0.00 C ATOM 920 C LYS A 153 -2.016 -5.124 -2.654 1.00 0.00 C ATOM 921 O LYS A 153 -2.218 -6.008 -3.487 1.00 0.00 O ATOM 922 CB LYS A 153 -1.139 -3.204 -3.994 1.00 0.00 C ATOM 923 CG LYS A 153 -0.029 -2.198 -4.259 1.00 0.00 C ATOM 924 CD LYS A 153 -0.327 -1.347 -5.484 1.00 0.00 C ATOM 925 CE LYS A 153 -1.551 -0.470 -5.277 1.00 0.00 C ATOM 926 NZ LYS A 153 -1.883 0.320 -6.497 1.00 0.00 N ATOM 0 H LYS A 153 0.939 -4.516 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.754 -3.564 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.300 -3.798 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.066 -2.665 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.095 -1.554 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.914 -2.725 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.536 -0.720 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.485 -1.994 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.403 -1.094 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.374 0.208 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.977 1.325 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.125 0.209 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.780 -0.021 -6.898 1.00 0.00 H new ATOM 940 N PRO A 154 -2.800 -4.982 -1.568 1.00 0.00 N ATOM 941 CA PRO A 154 -3.943 -5.861 -1.297 1.00 0.00 C ATOM 942 C PRO A 154 -5.111 -5.615 -2.250 1.00 0.00 C ATOM 943 O PRO A 154 -4.910 -5.276 -3.416 1.00 0.00 O ATOM 944 CB PRO A 154 -4.336 -5.495 0.136 1.00 0.00 C ATOM 945 CG PRO A 154 -3.880 -4.088 0.306 1.00 0.00 C ATOM 946 CD PRO A 154 -2.631 -3.955 -0.521 1.00 0.00 C ATOM 0 HA PRO A 154 -3.688 -6.912 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.412 -5.583 0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.858 -6.156 0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.645 -3.387 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.679 -3.867 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.537 -2.957 -0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.735 -4.132 0.074 1.00 0.00 H new ATOM 954 N HIS A 155 -6.330 -5.784 -1.745 1.00 0.00 N ATOM 955 CA HIS A 155 -7.529 -5.575 -2.551 1.00 0.00 C ATOM 956 C HIS A 155 -8.717 -5.193 -1.671 1.00 0.00 C ATOM 957 O HIS A 155 -8.998 -5.851 -0.669 1.00 0.00 O ATOM 958 CB HIS A 155 -7.854 -6.836 -3.357 1.00 0.00 C ATOM 959 CG HIS A 155 -8.126 -8.041 -2.510 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.194 -8.584 -1.651 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.235 -8.809 -2.392 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.716 -9.633 -1.042 1.00 0.00 C ATOM 963 NE2 HIS A 155 -8.955 -9.790 -1.473 1.00 0.00 N ATOM 0 H HIS A 155 -6.513 -6.065 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.335 -4.754 -3.241 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.724 -6.641 -3.985 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.021 -7.054 -4.025 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.166 -8.675 -2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.216 -10.256 -0.316 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.599 -10.521 -1.172 1.00 0.00 H new ATOM 972 N CYS A 156 -9.411 -4.125 -2.052 1.00 0.00 N ATOM 973 CA CYS A 156 -10.569 -3.656 -1.298 1.00 0.00 C ATOM 974 C CYS A 156 -11.872 -4.058 -1.980 1.00 0.00 C ATOM 975 O CYS A 156 -12.007 -3.946 -3.199 1.00 0.00 O ATOM 976 CB CYS A 156 -10.520 -2.138 -1.134 1.00 0.00 C ATOM 977 SG CYS A 156 -9.122 -1.541 -0.134 1.00 0.00 S ATOM 0 H CYS A 156 -9.192 -3.568 -2.878 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.536 -4.125 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.469 -1.679 -2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.450 -1.803 -0.675 1.00 0.00 H new ATOM 982 N GLN A 157 -12.830 -4.520 -1.184 1.00 0.00 N ATOM 983 CA GLN A 157 -14.128 -4.933 -1.707 1.00 0.00 C ATOM 984 C GLN A 157 -15.198 -3.887 -1.410 1.00 0.00 C ATOM 985 O GLN A 157 -15.147 -3.204 -0.387 1.00 0.00 O ATOM 986 CB GLN A 157 -14.536 -6.285 -1.120 1.00 0.00 C ATOM 987 CG GLN A 157 -13.621 -7.430 -1.525 1.00 0.00 C ATOM 988 CD GLN A 157 -13.562 -7.634 -3.027 1.00 0.00 C ATOM 989 OE1 GLN A 157 -13.117 -6.758 -3.769 1.00 0.00 O ATOM 990 NE2 GLN A 157 -14.013 -8.795 -3.484 1.00 0.00 N ATOM 0 H GLN A 157 -12.732 -4.618 -0.173 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.037 -5.031 -2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.549 -6.210 -0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.553 -6.516 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -12.616 -7.236 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.966 -8.349 -1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.373 -9.494 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -13.999 -8.989 -4.485 1.00 0.00 H new ATOM 999 N VAL A 158 -16.168 -3.770 -2.309 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.254 -2.815 -2.142 1.00 0.00 C ATOM 1001 C VAL A 158 -18.208 -3.283 -1.052 1.00 0.00 C ATOM 1002 O VAL A 158 -18.663 -4.426 -1.062 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.034 -2.616 -3.457 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.537 -3.950 -3.988 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.187 -1.644 -3.256 1.00 0.00 C ATOM 0 H VAL A 158 -16.224 -4.326 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.812 -1.861 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.357 -2.189 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.085 -3.789 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.690 -4.609 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.197 -4.409 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.724 -1.518 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.866 -2.037 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.797 -0.680 -2.928 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.501 -2.400 -0.107 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.397 -2.741 0.987 1.00 0.00 C ATOM 1017 C ASN A 159 -20.848 -2.787 0.515 1.00 0.00 C ATOM 1018 O ASN A 159 -21.710 -2.185 1.190 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.243 -1.750 2.146 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.529 -0.310 1.750 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -19.781 -0.072 0.466 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -19.516 0.586 2.594 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -21.112 -3.424 -0.526 1.00 0.00 O ATOM 0 H ASN A 159 -18.134 -1.449 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.124 -3.734 1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.917 -2.038 2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -18.229 -1.817 2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.319 0.365 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -19.703 1.550 2.317 1.00 0.00 H new