USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 804 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 200 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 203 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.03) USER MOD Set 2.1: A 186 HIS : no HE2:sc= 0.426 K(o=0.82,f=-2.7) USER MOD Set 2.2: A 190 THR OG1 : rot -90:sc= 0.391 USER MOD Set 3.1: A 176 HIS : no HE2:sc= 0.406 K(o=-0.43,f=-6.1!) USER MOD Set 3.2: A 180 ASN : amide:sc= -0.839 K(o=-0.43,f=-0.97!) USER MOD Set 4.1: A 156 TYR OH : rot 48:sc= -2.13! USER MOD Set 4.2: A 205 MET CE :methyl 161:sc= -5.46! (180deg=-7.96!) USER MOD Set 5.1: A 133 MET CE :methyl 146:sc= -13.5! (180deg=-17.1!) USER MOD Set 5.2: A 212 MET CE :methyl -152:sc= -8.18! (180deg=-6.58!) USER MOD Set 5.3: A 216 GLN : amide:sc= -0.772 K(o=-22,f=-30!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 160:sc= -5.05! (180deg=-6.23!) USER MOD Single : A 131 SER OG : rot -122:sc= 0.357 USER MOD Single : A 134 SER OG : rot -53:sc= 0.139 USER MOD Single : A 139 HIS :FLIP no HD1:sc= 0.176 F(o=-4.6!,f=0.18) USER MOD Single : A 142 ASN : amide:sc= -0.772! C(o=-0.77!,f=-9.2!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= -0.0321 USER MOD Single : A 152 ASN :FLIP amide:sc= -5.68! C(o=-9.6!,f=-5.7!) USER MOD Single : A 153 MET CE :methyl 163:sc= -11.7! (180deg=-13.3!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -0.866 K(o=-0.87,f=-5.3!) USER MOD Single : A 159 GLN : amide:sc= 0.291 K(o=0.29,f=-8.8!) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot -128:sc= -2.79! USER MOD Single : A 167 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 TYR OH : rot 30:sc= 0.962 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 GLN :FLIP amide:sc= 0.497 F(o=-3!,f=0.5) USER MOD Single : A 172 ASN : amide:sc= -0.356 K(o=-0.36,f=-4.2!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot 104:sc= -4.04! USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185 GLN : amide:sc= -0.077 K(o=-0.077,f=-0.67) USER MOD Single : A 187 THR OG1 : rot 134:sc= -0.419 USER MOD Single : A 189 THR OG1 : rot -16:sc= 0.743 USER MOD Single : A 191 THR OG1 : rot -68:sc= -1.14 USER MOD Single : A 192 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 193 LYS NZ :NH3+ -113:sc= 0.555 (180deg=-0.235) USER MOD Single : A 196 ASN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 198 THR OG1 : rot 180:sc= -0.0862 USER MOD Single : A 211 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.0087) USER MOD Single : A 215 THR OG1 : rot 60:sc= 1.23 USER MOD Single : A 217 TYR OH : rot -90:sc= 0.389 USER MOD Single : A 218 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 221 SER OG : rot 62:sc= 1.25 USER MOD Single : A 222 GLN :FLIP amide:sc= -0.181 F(o=-1.8!,f=-0.18) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 34 N TYR A 127 -10.564 9.300 -4.697 1.00 0.61 N ATOM 35 CA TYR A 127 -9.159 9.406 -4.322 1.00 0.44 C ATOM 36 C TYR A 127 -8.285 9.455 -5.552 1.00 0.45 C ATOM 37 O TYR A 127 -8.760 9.385 -6.688 1.00 0.71 O ATOM 38 CB TYR A 127 -8.738 8.267 -3.383 1.00 0.37 C ATOM 39 CG TYR A 127 -9.091 8.559 -1.936 1.00 0.46 C ATOM 40 CD1 TYR A 127 -9.689 9.763 -1.578 1.00 1.26 C ATOM 41 CD2 TYR A 127 -8.823 7.645 -0.929 1.00 0.86 C ATOM 42 CE1 TYR A 127 -10.007 10.041 -0.269 1.00 1.38 C ATOM 43 CE2 TYR A 127 -9.138 7.918 0.386 1.00 0.92 C ATOM 44 CZ TYR A 127 -9.729 9.119 0.708 1.00 0.78 C ATOM 45 OH TYR A 127 -10.052 9.400 2.007 1.00 0.96 O ATOM 0 HA TYR A 127 -9.027 10.339 -3.773 1.00 0.44 H new ATOM 0 HB2 TYR A 127 -9.224 7.343 -3.695 1.00 0.37 H new ATOM 0 HB3 TYR A 127 -7.663 8.106 -3.468 1.00 0.37 H new ATOM 0 HD1 TYR A 127 -9.908 10.494 -2.343 1.00 1.26 H new ATOM 0 HD2 TYR A 127 -8.359 6.702 -1.178 1.00 0.86 H new ATOM 0 HE1 TYR A 127 -10.473 10.981 -0.012 1.00 1.38 H new ATOM 0 HE2 TYR A 127 -8.922 7.194 1.158 1.00 0.92 H new ATOM 0 HH TYR A 127 -9.793 8.647 2.579 1.00 0.96 H new ATOM 55 N MET A 128 -7.011 9.589 -5.323 1.00 0.38 N ATOM 56 CA MET A 128 -6.070 9.732 -6.380 1.00 0.41 C ATOM 57 C MET A 128 -5.101 8.583 -6.219 1.00 0.42 C ATOM 58 O MET A 128 -4.328 8.536 -5.273 1.00 0.43 O ATOM 59 CB MET A 128 -5.443 11.149 -6.295 1.00 0.46 C ATOM 60 CG MET A 128 -4.181 11.283 -5.467 1.00 0.45 C ATOM 61 SD MET A 128 -2.693 10.940 -6.412 1.00 0.52 S ATOM 62 CE MET A 128 -1.734 10.126 -5.148 1.00 0.46 C ATOM 0 H MET A 128 -6.600 9.601 -4.390 1.00 0.38 H new ATOM 0 HA MET A 128 -6.495 9.674 -7.382 1.00 0.41 H new ATOM 0 HB2 MET A 128 -5.223 11.486 -7.308 1.00 0.46 H new ATOM 0 HB3 MET A 128 -6.191 11.829 -5.888 1.00 0.46 H new ATOM 0 HG2 MET A 128 -4.124 12.293 -5.060 1.00 0.45 H new ATOM 0 HG3 MET A 128 -4.233 10.600 -4.619 1.00 0.45 H new ATOM 0 HE1 MET A 128 -0.946 9.535 -5.614 1.00 0.46 H new ATOM 0 HE2 MET A 128 -1.288 10.873 -4.492 1.00 0.46 H new ATOM 0 HE3 MET A 128 -2.382 9.472 -4.565 1.00 0.46 H new ATOM 72 N LEU A 129 -5.239 7.578 -7.066 1.00 0.57 N ATOM 73 CA LEU A 129 -4.518 6.349 -6.835 1.00 0.66 C ATOM 74 C LEU A 129 -3.056 6.667 -6.649 1.00 0.56 C ATOM 75 O LEU A 129 -2.400 7.168 -7.562 1.00 0.56 O ATOM 76 CB LEU A 129 -4.723 5.343 -7.949 1.00 0.92 C ATOM 77 CG LEU A 129 -4.516 3.905 -7.501 1.00 0.37 C ATOM 78 CD1 LEU A 129 -5.757 3.071 -7.765 1.00 1.12 C ATOM 79 CD2 LEU A 129 -3.311 3.322 -8.205 1.00 1.15 C ATOM 0 H LEU A 129 -5.829 7.590 -7.898 1.00 0.57 H new ATOM 0 HA LEU A 129 -4.910 5.883 -5.931 1.00 0.66 H new ATOM 0 HB2 LEU A 129 -5.732 5.451 -8.347 1.00 0.92 H new ATOM 0 HB3 LEU A 129 -4.034 5.566 -8.763 1.00 0.92 H new ATOM 0 HG LEU A 129 -4.336 3.892 -6.426 1.00 0.37 H new ATOM 0 HD11 LEU A 129 -5.584 2.046 -7.436 1.00 1.12 H new ATOM 0 HD12 LEU A 129 -6.601 3.490 -7.217 1.00 1.12 H new ATOM 0 HD13 LEU A 129 -5.979 3.077 -8.832 1.00 1.12 H new ATOM 0 HD21 LEU A 129 -3.165 2.291 -7.882 1.00 1.15 H new ATOM 0 HD22 LEU A 129 -3.473 3.345 -9.283 1.00 1.15 H new ATOM 0 HD23 LEU A 129 -2.426 3.909 -7.958 1.00 1.15 H new ATOM 91 N GLY A 130 -2.603 6.423 -5.425 1.00 0.57 N ATOM 92 CA GLY A 130 -1.316 6.863 -4.959 1.00 0.55 C ATOM 93 C GLY A 130 -0.184 6.267 -5.741 1.00 0.53 C ATOM 94 O GLY A 130 0.462 5.314 -5.294 1.00 0.58 O ATOM 0 H GLY A 130 -3.136 5.905 -4.726 1.00 0.57 H new ATOM 0 HA2 GLY A 130 -1.263 7.950 -5.022 1.00 0.55 H new ATOM 0 HA3 GLY A 130 -1.205 6.599 -3.907 1.00 0.55 H new ATOM 98 N SER A 131 0.006 6.817 -6.934 1.00 0.56 N ATOM 99 CA SER A 131 1.051 6.394 -7.844 1.00 0.62 C ATOM 100 C SER A 131 0.886 4.915 -8.164 1.00 0.63 C ATOM 101 O SER A 131 -0.203 4.354 -8.017 1.00 1.04 O ATOM 102 CB SER A 131 2.435 6.684 -7.247 1.00 0.71 C ATOM 103 OG SER A 131 3.459 6.543 -8.222 1.00 1.30 O ATOM 0 H SER A 131 -0.570 7.577 -7.296 1.00 0.56 H new ATOM 0 HA SER A 131 0.968 6.959 -8.773 1.00 0.62 H new ATOM 0 HB2 SER A 131 2.453 7.695 -6.841 1.00 0.71 H new ATOM 0 HB3 SER A 131 2.625 6.004 -6.417 1.00 0.71 H new ATOM 0 HG SER A 131 4.108 5.874 -7.920 1.00 1.30 H new ATOM 109 N ALA A 132 1.941 4.301 -8.643 1.00 0.64 N ATOM 110 CA ALA A 132 1.946 2.879 -8.878 1.00 0.58 C ATOM 111 C ALA A 132 3.366 2.353 -8.733 1.00 0.53 C ATOM 112 O ALA A 132 4.041 2.098 -9.730 1.00 0.65 O ATOM 113 CB ALA A 132 1.396 2.550 -10.260 1.00 0.71 C ATOM 0 H ALA A 132 2.815 4.771 -8.879 1.00 0.64 H new ATOM 0 HA ALA A 132 1.301 2.398 -8.143 1.00 0.58 H new ATOM 0 HB1 ALA A 132 1.412 1.471 -10.410 1.00 0.71 H new ATOM 0 HB2 ALA A 132 0.371 2.913 -10.340 1.00 0.71 H new ATOM 0 HB3 ALA A 132 2.011 3.031 -11.020 1.00 0.71 H new ATOM 119 N MET A 133 3.840 2.244 -7.495 1.00 0.46 N ATOM 120 CA MET A 133 5.205 1.787 -7.244 1.00 0.49 C ATOM 121 C MET A 133 5.380 0.349 -7.731 1.00 0.61 C ATOM 122 O MET A 133 4.403 -0.366 -7.945 1.00 1.65 O ATOM 123 CB MET A 133 5.587 1.929 -5.750 1.00 0.48 C ATOM 124 CG MET A 133 4.645 1.260 -4.777 1.00 0.41 C ATOM 125 SD MET A 133 5.089 -0.424 -4.352 1.00 0.73 S ATOM 126 CE MET A 133 3.893 -0.704 -3.060 1.00 0.40 C ATOM 0 H MET A 133 3.304 2.464 -6.655 1.00 0.46 H new ATOM 0 HA MET A 133 5.886 2.425 -7.808 1.00 0.49 H new ATOM 0 HB2 MET A 133 6.585 1.516 -5.606 1.00 0.48 H new ATOM 0 HB3 MET A 133 5.643 2.990 -5.505 1.00 0.48 H new ATOM 0 HG2 MET A 133 4.605 1.853 -3.864 1.00 0.41 H new ATOM 0 HG3 MET A 133 3.642 1.261 -5.203 1.00 0.41 H new ATOM 0 HE1 MET A 133 3.577 -1.747 -3.077 1.00 0.40 H new ATOM 0 HE2 MET A 133 4.342 -0.476 -2.093 1.00 0.40 H new ATOM 0 HE3 MET A 133 3.028 -0.060 -3.219 1.00 0.40 H new ATOM 136 N SER A 134 6.616 -0.063 -7.932 1.00 0.72 N ATOM 137 CA SER A 134 6.900 -1.409 -8.405 1.00 0.60 C ATOM 138 C SER A 134 7.491 -2.211 -7.258 1.00 0.52 C ATOM 139 O SER A 134 8.380 -3.044 -7.444 1.00 0.74 O ATOM 140 CB SER A 134 7.861 -1.361 -9.599 1.00 0.71 C ATOM 141 OG SER A 134 7.927 -2.615 -10.264 1.00 1.49 O ATOM 0 H SER A 134 7.443 0.514 -7.776 1.00 0.72 H new ATOM 0 HA SER A 134 5.981 -1.889 -8.743 1.00 0.60 H new ATOM 0 HB2 SER A 134 7.534 -0.593 -10.300 1.00 0.71 H new ATOM 0 HB3 SER A 134 8.856 -1.077 -9.256 1.00 0.71 H new ATOM 0 HG SER A 134 8.142 -3.318 -9.616 1.00 1.49 H new ATOM 147 N ARG A 135 6.946 -1.947 -6.077 1.00 0.47 N ATOM 148 CA ARG A 135 7.418 -2.498 -4.817 1.00 0.43 C ATOM 149 C ARG A 135 8.714 -1.840 -4.369 1.00 0.47 C ATOM 150 O ARG A 135 9.709 -1.849 -5.093 1.00 0.59 O ATOM 151 CB ARG A 135 7.570 -4.014 -4.853 1.00 0.55 C ATOM 152 CG ARG A 135 6.361 -4.726 -4.287 1.00 0.49 C ATOM 153 CD ARG A 135 6.099 -4.336 -2.848 1.00 1.38 C ATOM 154 NE ARG A 135 4.977 -5.101 -2.303 1.00 2.40 N ATOM 155 CZ ARG A 135 3.694 -4.857 -2.603 1.00 3.22 C ATOM 156 NH1 ARG A 135 3.370 -3.878 -3.429 1.00 3.47 N ATOM 157 NH2 ARG A 135 2.734 -5.595 -2.081 1.00 4.16 N ATOM 0 H ARG A 135 6.143 -1.328 -5.968 1.00 0.47 H new ATOM 0 HA ARG A 135 6.645 -2.272 -4.083 1.00 0.43 H new ATOM 0 HB2 ARG A 135 7.730 -4.337 -5.882 1.00 0.55 H new ATOM 0 HB3 ARG A 135 8.456 -4.302 -4.287 1.00 0.55 H new ATOM 0 HG2 ARG A 135 5.485 -4.491 -4.892 1.00 0.49 H new ATOM 0 HG3 ARG A 135 6.512 -5.804 -4.349 1.00 0.49 H new ATOM 0 HD2 ARG A 135 6.992 -4.514 -2.249 1.00 1.38 H new ATOM 0 HD3 ARG A 135 5.882 -3.269 -2.788 1.00 1.38 H new ATOM 0 HE ARG A 135 5.183 -5.864 -1.658 1.00 2.40 H new ATOM 0 HH11 ARG A 135 4.100 -3.299 -3.845 1.00 3.47 H new ATOM 0 HH12 ARG A 135 2.390 -3.701 -3.651 1.00 3.47 H new ATOM 0 HH21 ARG A 135 2.966 -6.357 -1.444 1.00 4.16 H new ATOM 0 HH22 ARG A 135 1.760 -5.403 -2.314 1.00 4.16 H new ATOM 171 N PRO A 136 8.723 -1.260 -3.157 1.00 0.43 N ATOM 172 CA PRO A 136 9.921 -0.671 -2.568 1.00 0.49 C ATOM 173 C PRO A 136 10.843 -1.749 -2.014 1.00 0.46 C ATOM 174 O PRO A 136 11.773 -1.457 -1.261 1.00 0.58 O ATOM 175 CB PRO A 136 9.385 0.210 -1.427 1.00 0.52 C ATOM 176 CG PRO A 136 7.895 0.146 -1.522 1.00 0.47 C ATOM 177 CD PRO A 136 7.572 -1.117 -2.263 1.00 0.40 C ATOM 0 HA PRO A 136 10.507 -0.111 -3.297 1.00 0.49 H new ATOM 0 HB2 PRO A 136 9.730 -0.153 -0.459 1.00 0.52 H new ATOM 0 HB3 PRO A 136 9.739 1.236 -1.527 1.00 0.52 H new ATOM 0 HG2 PRO A 136 7.442 0.141 -0.530 1.00 0.47 H new ATOM 0 HG3 PRO A 136 7.502 1.016 -2.048 1.00 0.47 H new ATOM 0 HD2 PRO A 136 7.472 -1.969 -1.590 1.00 0.40 H new ATOM 0 HD3 PRO A 136 6.636 -1.036 -2.816 1.00 0.40 H new ATOM 185 N LEU A 137 10.570 -2.993 -2.419 1.00 0.42 N ATOM 186 CA LEU A 137 11.322 -4.159 -1.976 1.00 0.48 C ATOM 187 C LEU A 137 11.149 -4.375 -0.483 1.00 0.45 C ATOM 188 O LEU A 137 11.903 -3.860 0.340 1.00 0.62 O ATOM 189 CB LEU A 137 12.798 -4.030 -2.338 1.00 0.70 C ATOM 190 CG LEU A 137 13.159 -4.273 -3.811 1.00 0.77 C ATOM 191 CD1 LEU A 137 12.589 -5.598 -4.294 1.00 1.32 C ATOM 192 CD2 LEU A 137 12.683 -3.125 -4.693 1.00 1.33 C ATOM 0 H LEU A 137 9.815 -3.215 -3.068 1.00 0.42 H new ATOM 0 HA LEU A 137 10.926 -5.032 -2.495 1.00 0.48 H new ATOM 0 HB2 LEU A 137 13.132 -3.029 -2.064 1.00 0.70 H new ATOM 0 HB3 LEU A 137 13.363 -4.733 -1.726 1.00 0.70 H new ATOM 0 HG LEU A 137 14.245 -4.321 -3.885 1.00 0.77 H new ATOM 0 HD11 LEU A 137 12.857 -5.750 -5.340 1.00 1.32 H new ATOM 0 HD12 LEU A 137 12.998 -6.411 -3.693 1.00 1.32 H new ATOM 0 HD13 LEU A 137 11.504 -5.585 -4.196 1.00 1.32 H new ATOM 0 HD21 LEU A 137 12.953 -3.326 -5.730 1.00 1.33 H new ATOM 0 HD22 LEU A 137 11.600 -3.029 -4.612 1.00 1.33 H new ATOM 0 HD23 LEU A 137 13.155 -2.197 -4.369 1.00 1.33 H new ATOM 204 N ILE A 138 10.118 -5.117 -0.147 1.00 0.38 N ATOM 205 CA ILE A 138 9.787 -5.402 1.234 1.00 0.39 C ATOM 206 C ILE A 138 10.403 -6.734 1.672 1.00 0.50 C ATOM 207 O ILE A 138 10.462 -7.030 2.860 1.00 1.19 O ATOM 208 CB ILE A 138 8.264 -5.426 1.363 1.00 0.38 C ATOM 209 CG1 ILE A 138 7.684 -4.112 0.830 1.00 0.25 C ATOM 210 CG2 ILE A 138 7.812 -5.669 2.785 1.00 0.57 C ATOM 211 CD1 ILE A 138 8.223 -2.879 1.517 1.00 0.31 C ATOM 0 H ILE A 138 9.483 -5.541 -0.823 1.00 0.38 H new ATOM 0 HA ILE A 138 10.196 -4.631 1.887 1.00 0.39 H new ATOM 0 HB ILE A 138 7.891 -6.260 0.768 1.00 0.38 H new ATOM 0 HG12 ILE A 138 7.893 -4.041 -0.237 1.00 0.25 H new ATOM 0 HG13 ILE A 138 6.600 -4.133 0.942 1.00 0.25 H new ATOM 0 HG21 ILE A 138 6.723 -5.677 2.824 1.00 0.57 H new ATOM 0 HG22 ILE A 138 8.195 -6.630 3.129 1.00 0.57 H new ATOM 0 HG23 ILE A 138 8.192 -4.875 3.428 1.00 0.57 H new ATOM 0 HD11 ILE A 138 7.764 -1.991 1.083 1.00 0.31 H new ATOM 0 HD12 ILE A 138 7.991 -2.925 2.581 1.00 0.31 H new ATOM 0 HD13 ILE A 138 9.304 -2.831 1.383 1.00 0.31 H new ATOM 223 N HIS A 139 10.861 -7.500 0.669 1.00 0.65 N ATOM 224 CA HIS A 139 11.674 -8.744 0.815 1.00 0.75 C ATOM 225 C HIS A 139 11.373 -9.613 2.048 1.00 0.84 C ATOM 226 O HIS A 139 10.777 -10.676 1.914 1.00 1.80 O ATOM 227 CB HIS A 139 13.189 -8.444 0.736 1.00 0.84 C ATOM 228 CG HIS A 139 13.595 -7.130 1.334 1.00 0.72 C ATOM 229 ND1 HIS A 139 13.386 -6.630 2.565 1.00 1.02 N flip ATOM 230 CD2 HIS A 139 14.207 -6.130 0.617 1.00 1.15 C flip ATOM 231 CE1 HIS A 139 13.844 -5.341 2.580 1.00 1.08 C flip ATOM 232 NE2 HIS A 139 14.345 -5.068 1.387 1.00 1.33 N flip ATOM 0 H HIS A 139 10.675 -7.272 -0.307 1.00 0.65 H new ATOM 0 HA HIS A 139 11.361 -9.347 -0.037 1.00 0.75 H new ATOM 0 HB2 HIS A 139 13.731 -9.242 1.242 1.00 0.84 H new ATOM 0 HB3 HIS A 139 13.496 -8.463 -0.310 1.00 0.84 H new ATOM 0 HD2 HIS A 139 14.524 -6.202 -0.413 1.00 1.15 H new ATOM 0 HE1 HIS A 139 13.803 -4.664 3.420 1.00 1.08 H new ATOM 0 HE2 HIS A 139 14.768 -4.183 1.108 1.00 1.33 H new ATOM 241 N PHE A 140 11.819 -9.168 3.230 1.00 0.66 N ATOM 242 CA PHE A 140 11.830 -9.972 4.462 1.00 0.54 C ATOM 243 C PHE A 140 13.002 -10.941 4.460 1.00 0.63 C ATOM 244 O PHE A 140 13.597 -11.212 5.504 1.00 0.76 O ATOM 245 CB PHE A 140 10.524 -10.757 4.688 1.00 0.53 C ATOM 246 CG PHE A 140 9.315 -9.888 4.843 1.00 0.40 C ATOM 247 CD1 PHE A 140 9.096 -9.189 6.017 1.00 0.72 C ATOM 248 CD2 PHE A 140 8.399 -9.768 3.814 1.00 0.71 C ATOM 249 CE1 PHE A 140 7.984 -8.389 6.162 1.00 0.74 C ATOM 250 CE2 PHE A 140 7.285 -8.970 3.954 1.00 0.67 C ATOM 251 CZ PHE A 140 7.078 -8.279 5.129 1.00 0.35 C ATOM 0 H PHE A 140 12.188 -8.226 3.361 1.00 0.66 H new ATOM 0 HA PHE A 140 11.930 -9.261 5.282 1.00 0.54 H new ATOM 0 HB2 PHE A 140 10.368 -11.434 3.848 1.00 0.53 H new ATOM 0 HB3 PHE A 140 10.632 -11.375 5.579 1.00 0.53 H new ATOM 0 HD1 PHE A 140 9.804 -9.272 6.828 1.00 0.72 H new ATOM 0 HD2 PHE A 140 8.559 -10.306 2.891 1.00 0.71 H new ATOM 0 HE1 PHE A 140 7.822 -7.849 7.083 1.00 0.74 H new ATOM 0 HE2 PHE A 140 6.575 -8.886 3.145 1.00 0.67 H new ATOM 0 HZ PHE A 140 6.206 -7.652 5.240 1.00 0.35 H new ATOM 261 N GLY A 141 13.342 -11.450 3.283 1.00 0.66 N ATOM 262 CA GLY A 141 14.333 -12.495 3.193 1.00 0.77 C ATOM 263 C GLY A 141 13.756 -13.796 3.698 1.00 0.74 C ATOM 264 O GLY A 141 14.465 -14.650 4.232 1.00 0.86 O ATOM 0 H GLY A 141 12.947 -11.155 2.390 1.00 0.66 H new ATOM 0 HA2 GLY A 141 14.661 -12.609 2.160 1.00 0.77 H new ATOM 0 HA3 GLY A 141 15.212 -12.226 3.778 1.00 0.77 H new ATOM 268 N ASN A 142 12.444 -13.913 3.559 1.00 0.63 N ATOM 269 CA ASN A 142 11.716 -15.082 4.033 1.00 0.63 C ATOM 270 C ASN A 142 11.463 -16.037 2.879 1.00 0.63 C ATOM 271 O ASN A 142 11.949 -15.827 1.770 1.00 0.65 O ATOM 272 CB ASN A 142 10.385 -14.648 4.664 1.00 0.61 C ATOM 273 CG ASN A 142 9.751 -15.716 5.539 1.00 0.81 C ATOM 274 OD1 ASN A 142 8.931 -16.511 5.076 1.00 1.68 O ATOM 275 ND2 ASN A 142 10.131 -15.743 6.803 1.00 1.02 N ATOM 0 H ASN A 142 11.856 -13.206 3.118 1.00 0.63 H new ATOM 0 HA ASN A 142 12.313 -15.593 4.788 1.00 0.63 H new ATOM 0 HB2 ASN A 142 10.551 -13.752 5.262 1.00 0.61 H new ATOM 0 HB3 ASN A 142 9.687 -14.378 3.871 1.00 0.61 H new ATOM 0 HD21 ASN A 142 9.743 -16.441 7.437 1.00 1.02 H new ATOM 0 HD22 ASN A 142 10.813 -15.066 7.145 1.00 1.02 H new ATOM 282 N ASP A 143 10.728 -17.093 3.155 1.00 0.66 N ATOM 283 CA ASP A 143 10.320 -18.026 2.122 1.00 0.67 C ATOM 284 C ASP A 143 8.904 -17.721 1.677 1.00 0.61 C ATOM 285 O ASP A 143 8.676 -17.252 0.568 1.00 0.57 O ATOM 286 CB ASP A 143 10.384 -19.471 2.628 1.00 0.79 C ATOM 287 CG ASP A 143 11.761 -19.888 3.102 1.00 1.34 C ATOM 288 OD1 ASP A 143 12.093 -19.632 4.275 1.00 2.11 O ATOM 289 OD2 ASP A 143 12.529 -20.447 2.288 1.00 1.77 O ATOM 0 H ASP A 143 10.398 -17.329 4.091 1.00 0.66 H new ATOM 0 HA ASP A 143 11.006 -17.916 1.282 1.00 0.67 H new ATOM 0 HB2 ASP A 143 9.675 -19.592 3.447 1.00 0.79 H new ATOM 0 HB3 ASP A 143 10.066 -20.141 1.829 1.00 0.79 H new ATOM 294 N TYR A 144 7.951 -17.963 2.567 1.00 0.64 N ATOM 295 CA TYR A 144 6.548 -17.828 2.216 1.00 0.62 C ATOM 296 C TYR A 144 5.966 -16.494 2.670 1.00 0.55 C ATOM 297 O TYR A 144 4.950 -16.079 2.148 1.00 0.53 O ATOM 298 CB TYR A 144 5.737 -18.998 2.770 1.00 0.76 C ATOM 299 CG TYR A 144 4.595 -19.396 1.865 1.00 0.80 C ATOM 300 CD1 TYR A 144 3.384 -18.728 1.914 1.00 0.98 C ATOM 301 CD2 TYR A 144 4.737 -20.428 0.945 1.00 1.17 C ATOM 302 CE1 TYR A 144 2.344 -19.073 1.079 1.00 1.09 C ATOM 303 CE2 TYR A 144 3.701 -20.777 0.100 1.00 1.28 C ATOM 304 CZ TYR A 144 2.504 -20.096 0.173 1.00 1.08 C ATOM 305 OH TYR A 144 1.465 -20.434 -0.664 1.00 1.26 O ATOM 0 H TYR A 144 8.124 -18.252 3.530 1.00 0.64 H new ATOM 0 HA TYR A 144 6.484 -17.847 1.128 1.00 0.62 H new ATOM 0 HB2 TYR A 144 6.395 -19.854 2.916 1.00 0.76 H new ATOM 0 HB3 TYR A 144 5.342 -18.729 3.750 1.00 0.76 H new ATOM 0 HD1 TYR A 144 3.252 -17.921 2.620 1.00 0.98 H new ATOM 0 HD2 TYR A 144 5.672 -20.966 0.890 1.00 1.17 H new ATOM 0 HE1 TYR A 144 1.405 -18.542 1.135 1.00 1.09 H new ATOM 0 HE2 TYR A 144 3.828 -21.578 -0.613 1.00 1.28 H new ATOM 0 HH TYR A 144 1.740 -21.175 -1.244 1.00 1.26 H new ATOM 315 N GLU A 145 6.578 -15.823 3.643 1.00 0.58 N ATOM 316 CA GLU A 145 6.166 -14.450 3.956 1.00 0.54 C ATOM 317 C GLU A 145 6.712 -13.529 2.882 1.00 0.51 C ATOM 318 O GLU A 145 6.051 -12.580 2.465 1.00 0.50 O ATOM 319 CB GLU A 145 6.653 -13.978 5.326 1.00 0.61 C ATOM 320 CG GLU A 145 6.071 -14.745 6.503 1.00 0.76 C ATOM 321 CD GLU A 145 6.432 -14.112 7.831 1.00 1.31 C ATOM 322 OE1 GLU A 145 7.509 -14.434 8.373 1.00 1.74 O ATOM 323 OE2 GLU A 145 5.647 -13.275 8.333 1.00 1.71 O ATOM 0 H GLU A 145 7.339 -16.190 4.215 1.00 0.58 H new ATOM 0 HA GLU A 145 5.077 -14.428 3.985 1.00 0.54 H new ATOM 0 HB2 GLU A 145 7.740 -14.058 5.358 1.00 0.61 H new ATOM 0 HB3 GLU A 145 6.408 -12.922 5.440 1.00 0.61 H new ATOM 0 HG2 GLU A 145 4.986 -14.789 6.406 1.00 0.76 H new ATOM 0 HG3 GLU A 145 6.435 -15.772 6.481 1.00 0.76 H new ATOM 330 N ASP A 146 7.932 -13.830 2.439 1.00 0.54 N ATOM 331 CA ASP A 146 8.509 -13.180 1.270 1.00 0.54 C ATOM 332 C ASP A 146 7.632 -13.475 0.072 1.00 0.48 C ATOM 333 O ASP A 146 7.282 -12.586 -0.693 1.00 0.51 O ATOM 334 CB ASP A 146 9.932 -13.685 1.014 1.00 0.57 C ATOM 335 CG ASP A 146 10.479 -13.281 -0.347 1.00 0.87 C ATOM 336 OD1 ASP A 146 10.248 -14.020 -1.330 1.00 1.38 O ATOM 337 OD2 ASP A 146 11.169 -12.245 -0.440 1.00 1.30 O ATOM 0 H ASP A 146 8.540 -14.523 2.876 1.00 0.54 H new ATOM 0 HA ASP A 146 8.560 -12.105 1.443 1.00 0.54 H new ATOM 0 HB2 ASP A 146 10.592 -13.300 1.792 1.00 0.57 H new ATOM 0 HB3 ASP A 146 9.944 -14.772 1.095 1.00 0.57 H new ATOM 342 N ARG A 147 7.270 -14.743 -0.062 1.00 0.44 N ATOM 343 CA ARG A 147 6.328 -15.171 -1.074 1.00 0.45 C ATOM 344 C ARG A 147 5.020 -14.411 -0.942 1.00 0.38 C ATOM 345 O ARG A 147 4.558 -13.800 -1.895 1.00 0.35 O ATOM 346 CB ARG A 147 6.044 -16.664 -0.959 1.00 0.59 C ATOM 347 CG ARG A 147 5.073 -17.171 -2.006 1.00 0.80 C ATOM 348 CD ARG A 147 5.335 -16.481 -3.310 1.00 0.67 C ATOM 349 NE ARG A 147 4.835 -17.208 -4.480 1.00 1.38 N ATOM 350 CZ ARG A 147 3.540 -17.413 -4.755 1.00 1.78 C ATOM 351 NH1 ARG A 147 2.596 -17.039 -3.904 1.00 1.90 N ATOM 352 NH2 ARG A 147 3.189 -18.019 -5.881 1.00 2.55 N ATOM 0 H ARG A 147 7.622 -15.498 0.527 1.00 0.44 H new ATOM 0 HA ARG A 147 6.776 -14.964 -2.046 1.00 0.45 H new ATOM 0 HB2 ARG A 147 6.982 -17.213 -1.047 1.00 0.59 H new ATOM 0 HB3 ARG A 147 5.642 -16.875 0.032 1.00 0.59 H new ATOM 0 HG2 ARG A 147 5.181 -18.249 -2.125 1.00 0.80 H new ATOM 0 HG3 ARG A 147 4.048 -16.987 -1.685 1.00 0.80 H new ATOM 0 HD2 ARG A 147 4.875 -15.493 -3.285 1.00 0.67 H new ATOM 0 HD3 ARG A 147 6.409 -16.330 -3.420 1.00 0.67 H new ATOM 0 HE ARG A 147 5.523 -17.585 -5.132 1.00 1.38 H new ATOM 0 HH11 ARG A 147 2.851 -16.588 -3.025 1.00 1.90 H new ATOM 0 HH12 ARG A 147 1.614 -17.202 -4.128 1.00 1.90 H new ATOM 0 HH21 ARG A 147 3.905 -18.329 -6.538 1.00 2.55 H new ATOM 0 HH22 ARG A 147 2.203 -18.175 -6.090 1.00 2.55 H new ATOM 366 N TYR A 148 4.425 -14.474 0.236 1.00 0.39 N ATOM 367 CA TYR A 148 3.181 -13.786 0.502 1.00 0.38 C ATOM 368 C TYR A 148 3.286 -12.337 0.088 1.00 0.32 C ATOM 369 O TYR A 148 2.482 -11.863 -0.691 1.00 0.44 O ATOM 370 CB TYR A 148 2.805 -13.884 1.975 1.00 0.53 C ATOM 371 CG TYR A 148 1.951 -15.073 2.339 1.00 0.90 C ATOM 372 CD1 TYR A 148 0.994 -15.548 1.456 1.00 1.93 C ATOM 373 CD2 TYR A 148 2.120 -15.738 3.544 1.00 1.13 C ATOM 374 CE1 TYR A 148 0.222 -16.650 1.766 1.00 2.86 C ATOM 375 CE2 TYR A 148 1.356 -16.844 3.864 1.00 1.93 C ATOM 376 CZ TYR A 148 0.349 -17.230 3.047 1.00 2.73 C ATOM 377 OH TYR A 148 -0.364 -18.391 3.288 1.00 3.74 O ATOM 0 H TYR A 148 4.791 -15.001 1.029 1.00 0.39 H new ATOM 0 HA TYR A 148 2.397 -14.267 -0.082 1.00 0.38 H new ATOM 0 HB2 TYR A 148 3.720 -13.919 2.566 1.00 0.53 H new ATOM 0 HB3 TYR A 148 2.276 -12.975 2.260 1.00 0.53 H new ATOM 0 HD1 TYR A 148 0.850 -15.048 0.510 1.00 1.93 H new ATOM 0 HD2 TYR A 148 2.862 -15.385 4.245 1.00 1.13 H new ATOM 0 HE1 TYR A 148 -0.466 -17.061 1.042 1.00 2.86 H new ATOM 0 HE2 TYR A 148 1.563 -17.400 4.766 1.00 1.93 H new ATOM 0 HH TYR A 148 -0.194 -18.695 4.204 1.00 3.74 H new ATOM 387 N TYR A 149 4.262 -11.636 0.628 1.00 0.27 N ATOM 388 CA TYR A 149 4.613 -10.309 0.151 1.00 0.25 C ATOM 389 C TYR A 149 4.751 -10.239 -1.383 1.00 0.25 C ATOM 390 O TYR A 149 4.215 -9.326 -2.009 1.00 0.29 O ATOM 391 CB TYR A 149 5.907 -9.855 0.827 1.00 0.35 C ATOM 392 CG TYR A 149 6.798 -9.017 -0.052 1.00 0.31 C ATOM 393 CD1 TYR A 149 6.384 -7.784 -0.528 1.00 0.85 C ATOM 394 CD2 TYR A 149 8.054 -9.477 -0.415 1.00 1.17 C ATOM 395 CE1 TYR A 149 7.202 -7.031 -1.339 1.00 0.80 C ATOM 396 CE2 TYR A 149 8.875 -8.729 -1.224 1.00 1.32 C ATOM 397 CZ TYR A 149 8.446 -7.506 -1.682 1.00 0.63 C ATOM 398 OH TYR A 149 9.265 -6.749 -2.485 1.00 0.81 O ATOM 0 H TYR A 149 4.833 -11.966 1.406 1.00 0.27 H new ATOM 0 HA TYR A 149 3.796 -9.637 0.415 1.00 0.25 H new ATOM 0 HB2 TYR A 149 5.656 -9.285 1.721 1.00 0.35 H new ATOM 0 HB3 TYR A 149 6.461 -10.735 1.155 1.00 0.35 H new ATOM 0 HD1 TYR A 149 5.407 -7.409 -0.259 1.00 0.85 H new ATOM 0 HD2 TYR A 149 8.393 -10.438 -0.057 1.00 1.17 H new ATOM 0 HE1 TYR A 149 6.868 -6.071 -1.705 1.00 0.80 H new ATOM 0 HE2 TYR A 149 9.852 -9.100 -1.498 1.00 1.32 H new ATOM 0 HH TYR A 149 10.109 -7.225 -2.633 1.00 0.81 H new ATOM 408 N ARG A 150 5.456 -11.187 -1.980 1.00 0.27 N ATOM 409 CA ARG A 150 5.773 -11.118 -3.406 1.00 0.30 C ATOM 410 C ARG A 150 4.529 -11.320 -4.276 1.00 0.33 C ATOM 411 O ARG A 150 4.477 -10.890 -5.422 1.00 0.40 O ATOM 412 CB ARG A 150 6.851 -12.133 -3.783 1.00 0.32 C ATOM 413 CG ARG A 150 6.303 -13.473 -4.208 1.00 0.78 C ATOM 414 CD ARG A 150 7.274 -14.209 -5.110 1.00 0.83 C ATOM 415 NE ARG A 150 7.505 -13.484 -6.356 1.00 0.94 N ATOM 416 CZ ARG A 150 8.535 -13.709 -7.164 1.00 1.23 C ATOM 417 NH1 ARG A 150 9.474 -14.584 -6.823 1.00 1.61 N ATOM 418 NH2 ARG A 150 8.645 -13.038 -8.300 1.00 1.36 N ATOM 0 H ARG A 150 5.821 -12.013 -1.505 1.00 0.27 H new ATOM 0 HA ARG A 150 6.157 -10.116 -3.596 1.00 0.30 H new ATOM 0 HB2 ARG A 150 7.455 -11.724 -4.593 1.00 0.32 H new ATOM 0 HB3 ARG A 150 7.516 -12.276 -2.931 1.00 0.32 H new ATOM 0 HG2 ARG A 150 6.094 -14.078 -3.326 1.00 0.78 H new ATOM 0 HG3 ARG A 150 5.356 -13.331 -4.729 1.00 0.78 H new ATOM 0 HD2 ARG A 150 8.221 -14.349 -4.589 1.00 0.83 H new ATOM 0 HD3 ARG A 150 6.883 -15.202 -5.333 1.00 0.83 H new ATOM 0 HE ARG A 150 6.836 -12.762 -6.622 1.00 0.94 H new ATOM 0 HH11 ARG A 150 9.406 -15.086 -5.938 1.00 1.61 H new ATOM 0 HH12 ARG A 150 10.263 -14.754 -7.446 1.00 1.61 H new ATOM 0 HH21 ARG A 150 7.939 -12.348 -8.555 1.00 1.36 H new ATOM 0 HH22 ARG A 150 9.436 -13.211 -8.920 1.00 1.36 H new ATOM 432 N GLU A 151 3.534 -11.967 -3.709 1.00 0.36 N ATOM 433 CA GLU A 151 2.294 -12.244 -4.395 1.00 0.45 C ATOM 434 C GLU A 151 1.292 -11.201 -3.944 1.00 0.49 C ATOM 435 O GLU A 151 0.299 -10.920 -4.601 1.00 0.59 O ATOM 436 CB GLU A 151 1.799 -13.653 -4.097 1.00 0.57 C ATOM 437 CG GLU A 151 1.707 -13.939 -2.620 1.00 0.82 C ATOM 438 CD GLU A 151 0.823 -15.126 -2.305 1.00 1.60 C ATOM 439 OE1 GLU A 151 -0.366 -15.109 -2.691 1.00 2.11 O ATOM 440 OE2 GLU A 151 1.334 -16.096 -1.713 1.00 2.16 O ATOM 0 H GLU A 151 3.565 -12.318 -2.752 1.00 0.36 H new ATOM 0 HA GLU A 151 2.436 -12.194 -5.475 1.00 0.45 H new ATOM 0 HB2 GLU A 151 0.818 -13.792 -4.551 1.00 0.57 H new ATOM 0 HB3 GLU A 151 2.471 -14.375 -4.561 1.00 0.57 H new ATOM 0 HG2 GLU A 151 2.707 -14.123 -2.227 1.00 0.82 H new ATOM 0 HG3 GLU A 151 1.320 -13.058 -2.108 1.00 0.82 H new ATOM 447 N ASN A 152 1.603 -10.631 -2.777 1.00 0.45 N ATOM 448 CA ASN A 152 0.895 -9.492 -2.202 1.00 0.50 C ATOM 449 C ASN A 152 1.135 -8.273 -3.051 1.00 0.55 C ATOM 450 O ASN A 152 0.674 -7.189 -2.770 1.00 0.88 O ATOM 451 CB ASN A 152 1.307 -9.310 -0.718 1.00 0.46 C ATOM 452 CG ASN A 152 1.707 -7.904 -0.282 1.00 0.51 C ATOM 453 OD1 ASN A 152 3.002 -7.647 -0.212 1.00 0.85 O flip ATOM 454 ND2 ASN A 152 0.868 -7.073 0.033 1.00 0.67 N flip ATOM 0 H ASN A 152 2.373 -10.959 -2.194 1.00 0.45 H new ATOM 0 HA ASN A 152 -0.181 -9.666 -2.200 1.00 0.50 H new ATOM 0 HB2 ASN A 152 0.476 -9.636 -0.092 1.00 0.46 H new ATOM 0 HB3 ASN A 152 2.142 -9.980 -0.513 1.00 0.46 H new ATOM 0 HD21 ASN A 152 -0.124 -7.300 -0.032 1.00 0.67 H new ATOM 0 HD22 ASN A 152 1.160 -6.152 0.360 1.00 0.67 H new ATOM 461 N MET A 153 1.920 -8.454 -4.069 1.00 0.43 N ATOM 462 CA MET A 153 2.104 -7.429 -5.049 1.00 0.46 C ATOM 463 C MET A 153 1.241 -7.682 -6.287 1.00 0.51 C ATOM 464 O MET A 153 1.204 -6.880 -7.222 1.00 0.63 O ATOM 465 CB MET A 153 3.569 -7.366 -5.332 1.00 0.42 C ATOM 466 CG MET A 153 4.031 -7.978 -6.642 1.00 0.92 C ATOM 467 SD MET A 153 5.823 -8.080 -6.671 1.00 1.27 S ATOM 468 CE MET A 153 6.074 -8.247 -4.907 1.00 1.39 C ATOM 0 H MET A 153 2.447 -9.310 -4.243 1.00 0.43 H new ATOM 0 HA MET A 153 1.770 -6.457 -4.686 1.00 0.46 H new ATOM 0 HB2 MET A 153 3.875 -6.320 -5.317 1.00 0.42 H new ATOM 0 HB3 MET A 153 4.096 -7.864 -4.518 1.00 0.42 H new ATOM 0 HG2 MET A 153 3.600 -8.972 -6.761 1.00 0.92 H new ATOM 0 HG3 MET A 153 3.679 -7.375 -7.479 1.00 0.92 H new ATOM 0 HE1 MET A 153 7.079 -8.624 -4.717 1.00 1.39 H new ATOM 0 HE2 MET A 153 5.955 -7.275 -4.429 1.00 1.39 H new ATOM 0 HE3 MET A 153 5.342 -8.944 -4.500 1.00 1.39 H new ATOM 478 N TYR A 154 0.561 -8.822 -6.281 1.00 0.49 N ATOM 479 CA TYR A 154 -0.412 -9.151 -7.310 1.00 0.55 C ATOM 480 C TYR A 154 -1.817 -9.084 -6.724 1.00 0.47 C ATOM 481 O TYR A 154 -2.715 -8.458 -7.287 1.00 0.59 O ATOM 482 CB TYR A 154 -0.175 -10.556 -7.868 1.00 0.66 C ATOM 483 CG TYR A 154 1.195 -10.777 -8.468 1.00 1.18 C ATOM 484 CD1 TYR A 154 1.585 -10.126 -9.631 1.00 1.57 C ATOM 485 CD2 TYR A 154 2.092 -11.652 -7.875 1.00 2.12 C ATOM 486 CE1 TYR A 154 2.834 -10.340 -10.183 1.00 2.39 C ATOM 487 CE2 TYR A 154 3.340 -11.872 -8.421 1.00 3.05 C ATOM 488 CZ TYR A 154 3.706 -11.215 -9.575 1.00 3.08 C ATOM 489 OH TYR A 154 4.949 -11.439 -10.123 1.00 4.05 O ATOM 0 H TYR A 154 0.669 -9.540 -5.565 1.00 0.49 H new ATOM 0 HA TYR A 154 -0.303 -8.430 -8.120 1.00 0.55 H new ATOM 0 HB2 TYR A 154 -0.327 -11.280 -7.067 1.00 0.66 H new ATOM 0 HB3 TYR A 154 -0.927 -10.761 -8.630 1.00 0.66 H new ATOM 0 HD1 TYR A 154 0.902 -9.442 -10.112 1.00 1.57 H new ATOM 0 HD2 TYR A 154 1.809 -12.170 -6.971 1.00 2.12 H new ATOM 0 HE1 TYR A 154 3.124 -9.824 -11.086 1.00 2.39 H new ATOM 0 HE2 TYR A 154 4.027 -12.556 -7.946 1.00 3.05 H new ATOM 0 HH TYR A 154 5.439 -12.082 -9.570 1.00 4.05 H new ATOM 499 N ARG A 155 -1.994 -9.736 -5.579 1.00 0.37 N ATOM 500 CA ARG A 155 -3.277 -9.769 -4.902 1.00 0.36 C ATOM 501 C ARG A 155 -3.494 -8.451 -4.198 1.00 0.31 C ATOM 502 O ARG A 155 -4.556 -7.844 -4.273 1.00 0.41 O ATOM 503 CB ARG A 155 -3.296 -10.920 -3.907 1.00 0.43 C ATOM 504 CG ARG A 155 -2.234 -10.802 -2.834 1.00 0.63 C ATOM 505 CD ARG A 155 -1.690 -12.171 -2.458 1.00 0.58 C ATOM 506 NE ARG A 155 -0.734 -12.104 -1.369 1.00 0.78 N ATOM 507 CZ ARG A 155 -0.879 -12.756 -0.219 1.00 1.20 C ATOM 508 NH1 ARG A 155 -1.940 -13.529 -0.005 1.00 1.05 N ATOM 509 NH2 ARG A 155 0.048 -12.645 0.707 1.00 1.89 N ATOM 0 H ARG A 155 -1.255 -10.252 -5.101 1.00 0.37 H new ATOM 0 HA ARG A 155 -4.080 -9.923 -5.623 1.00 0.36 H new ATOM 0 HB2 ARG A 155 -4.277 -10.966 -3.434 1.00 0.43 H new ATOM 0 HB3 ARG A 155 -3.157 -11.858 -4.444 1.00 0.43 H new ATOM 0 HG2 ARG A 155 -1.421 -10.168 -3.189 1.00 0.63 H new ATOM 0 HG3 ARG A 155 -2.654 -10.318 -1.952 1.00 0.63 H new ATOM 0 HD2 ARG A 155 -2.516 -12.822 -2.173 1.00 0.58 H new ATOM 0 HD3 ARG A 155 -1.214 -12.622 -3.329 1.00 0.58 H new ATOM 0 HE ARG A 155 0.096 -11.524 -1.492 1.00 0.78 H new ATOM 0 HH11 ARG A 155 -2.654 -13.627 -0.727 1.00 1.05 H new ATOM 0 HH12 ARG A 155 -2.040 -14.024 0.881 1.00 1.05 H new ATOM 0 HH21 ARG A 155 0.869 -12.063 0.540 1.00 1.89 H new ATOM 0 HH22 ARG A 155 -0.054 -13.141 1.592 1.00 1.89 H new ATOM 523 N TYR A 156 -2.459 -7.998 -3.543 1.00 0.27 N ATOM 524 CA TYR A 156 -2.453 -6.677 -3.010 1.00 0.28 C ATOM 525 C TYR A 156 -1.690 -5.892 -4.007 1.00 0.39 C ATOM 526 O TYR A 156 -0.900 -6.467 -4.747 1.00 0.78 O ATOM 527 CB TYR A 156 -1.773 -6.628 -1.668 1.00 0.35 C ATOM 528 CG TYR A 156 -2.414 -7.495 -0.634 1.00 0.95 C ATOM 529 CD1 TYR A 156 -3.686 -7.229 -0.170 1.00 1.51 C ATOM 530 CD2 TYR A 156 -1.717 -8.549 -0.083 1.00 1.36 C ATOM 531 CE1 TYR A 156 -4.236 -7.988 0.834 1.00 2.14 C ATOM 532 CE2 TYR A 156 -2.263 -9.322 0.900 1.00 1.99 C ATOM 533 CZ TYR A 156 -3.522 -9.032 1.363 1.00 2.31 C ATOM 534 OH TYR A 156 -4.046 -9.750 2.396 1.00 2.98 O ATOM 0 H TYR A 156 -1.608 -8.533 -3.369 1.00 0.27 H new ATOM 0 HA TYR A 156 -3.461 -6.295 -2.847 1.00 0.28 H new ATOM 0 HB2 TYR A 156 -0.733 -6.930 -1.787 1.00 0.35 H new ATOM 0 HB3 TYR A 156 -1.767 -5.598 -1.312 1.00 0.35 H new ATOM 0 HD1 TYR A 156 -4.254 -6.417 -0.600 1.00 1.51 H new ATOM 0 HD2 TYR A 156 -0.720 -8.767 -0.436 1.00 1.36 H new ATOM 0 HE1 TYR A 156 -5.225 -7.764 1.205 1.00 2.14 H new ATOM 0 HE2 TYR A 156 -1.710 -10.154 1.310 1.00 1.99 H new ATOM 0 HH TYR A 156 -4.970 -10.000 2.185 1.00 2.98 H new ATOM 544 N PRO A 157 -1.899 -4.618 -4.129 1.00 0.28 N ATOM 545 CA PRO A 157 -1.226 -3.920 -5.172 1.00 0.29 C ATOM 546 C PRO A 157 0.075 -3.293 -4.718 1.00 0.34 C ATOM 547 O PRO A 157 0.615 -3.604 -3.653 1.00 0.66 O ATOM 548 CB PRO A 157 -2.245 -2.845 -5.499 1.00 0.31 C ATOM 549 CG PRO A 157 -2.727 -2.454 -4.137 1.00 0.32 C ATOM 550 CD PRO A 157 -2.823 -3.752 -3.369 1.00 0.33 C ATOM 0 HA PRO A 157 -0.936 -4.564 -6.003 1.00 0.29 H new ATOM 0 HB2 PRO A 157 -1.797 -2.005 -6.031 1.00 0.31 H new ATOM 0 HB3 PRO A 157 -3.053 -3.224 -6.125 1.00 0.31 H new ATOM 0 HG2 PRO A 157 -2.035 -1.762 -3.657 1.00 0.32 H new ATOM 0 HG3 PRO A 157 -3.694 -1.954 -4.189 1.00 0.32 H new ATOM 0 HD2 PRO A 157 -2.515 -3.637 -2.330 1.00 0.33 H new ATOM 0 HD3 PRO A 157 -3.839 -4.147 -3.358 1.00 0.33 H new ATOM 558 N ASN A 158 0.566 -2.397 -5.538 1.00 0.32 N ATOM 559 CA ASN A 158 1.716 -1.608 -5.194 1.00 0.31 C ATOM 560 C ASN A 158 1.364 -0.150 -5.399 1.00 0.33 C ATOM 561 O ASN A 158 2.072 0.608 -6.054 1.00 0.42 O ATOM 562 CB ASN A 158 2.931 -1.997 -6.029 1.00 0.40 C ATOM 563 CG ASN A 158 2.779 -3.319 -6.753 1.00 0.74 C ATOM 564 OD1 ASN A 158 3.170 -4.366 -6.243 1.00 1.47 O ATOM 565 ND2 ASN A 158 2.211 -3.276 -7.947 1.00 1.42 N ATOM 0 H ASN A 158 0.179 -2.197 -6.460 1.00 0.32 H new ATOM 0 HA ASN A 158 1.983 -1.787 -4.152 1.00 0.31 H new ATOM 0 HB2 ASN A 158 3.123 -1.213 -6.761 1.00 0.40 H new ATOM 0 HB3 ASN A 158 3.805 -2.048 -5.380 1.00 0.40 H new ATOM 0 HD21 ASN A 158 2.083 -4.135 -8.482 1.00 1.42 H new ATOM 0 HD22 ASN A 158 1.901 -2.384 -8.332 1.00 1.42 H new ATOM 572 N GLN A 159 0.239 0.214 -4.829 1.00 0.30 N ATOM 573 CA GLN A 159 -0.330 1.536 -4.959 1.00 0.31 C ATOM 574 C GLN A 159 -1.396 1.682 -3.891 1.00 0.28 C ATOM 575 O GLN A 159 -1.871 0.677 -3.354 1.00 0.29 O ATOM 576 CB GLN A 159 -0.924 1.720 -6.352 1.00 0.38 C ATOM 577 CG GLN A 159 -1.797 0.557 -6.795 1.00 0.44 C ATOM 578 CD GLN A 159 -1.204 -0.216 -7.956 1.00 0.92 C ATOM 579 OE1 GLN A 159 -0.469 -1.183 -7.765 1.00 1.63 O ATOM 580 NE2 GLN A 159 -1.515 0.207 -9.168 1.00 1.50 N ATOM 0 H GLN A 159 -0.318 -0.414 -4.250 1.00 0.30 H new ATOM 0 HA GLN A 159 0.436 2.301 -4.829 1.00 0.31 H new ATOM 0 HB2 GLN A 159 -1.515 2.635 -6.369 1.00 0.38 H new ATOM 0 HB3 GLN A 159 -0.114 1.851 -7.070 1.00 0.38 H new ATOM 0 HG2 GLN A 159 -1.947 -0.119 -5.953 1.00 0.44 H new ATOM 0 HG3 GLN A 159 -2.779 0.934 -7.080 1.00 0.44 H new ATOM 0 HE21 GLN A 159 -2.128 1.013 -9.285 1.00 1.50 H new ATOM 0 HE22 GLN A 159 -1.142 -0.273 -9.987 1.00 1.50 H new ATOM 589 N VAL A 160 -1.783 2.897 -3.578 1.00 0.30 N ATOM 590 CA VAL A 160 -2.687 3.125 -2.483 1.00 0.28 C ATOM 591 C VAL A 160 -3.773 4.103 -2.864 1.00 0.31 C ATOM 592 O VAL A 160 -3.728 4.723 -3.914 1.00 0.53 O ATOM 593 CB VAL A 160 -1.971 3.619 -1.220 1.00 0.28 C ATOM 594 CG1 VAL A 160 -1.538 2.444 -0.356 1.00 0.30 C ATOM 595 CG2 VAL A 160 -0.776 4.480 -1.593 1.00 0.29 C ATOM 0 H VAL A 160 -1.484 3.740 -4.068 1.00 0.30 H new ATOM 0 HA VAL A 160 -3.136 2.158 -2.256 1.00 0.28 H new ATOM 0 HB VAL A 160 -2.667 4.227 -0.643 1.00 0.28 H new ATOM 0 HG11 VAL A 160 -1.032 2.815 0.535 1.00 0.30 H new ATOM 0 HG12 VAL A 160 -2.414 1.866 -0.062 1.00 0.30 H new ATOM 0 HG13 VAL A 160 -0.857 1.808 -0.922 1.00 0.30 H new ATOM 0 HG21 VAL A 160 -0.278 4.823 -0.686 1.00 0.29 H new ATOM 0 HG22 VAL A 160 -0.078 3.894 -2.191 1.00 0.29 H new ATOM 0 HG23 VAL A 160 -1.114 5.341 -2.170 1.00 0.29 H new ATOM 605 N TYR A 161 -4.766 4.196 -2.024 1.00 0.32 N ATOM 606 CA TYR A 161 -5.906 5.046 -2.274 1.00 0.36 C ATOM 607 C TYR A 161 -5.864 6.286 -1.394 1.00 0.34 C ATOM 608 O TYR A 161 -6.084 6.194 -0.190 1.00 0.42 O ATOM 609 CB TYR A 161 -7.160 4.272 -1.952 1.00 0.49 C ATOM 610 CG TYR A 161 -7.576 3.246 -2.975 1.00 0.44 C ATOM 611 CD1 TYR A 161 -7.032 1.969 -2.956 1.00 0.38 C ATOM 612 CD2 TYR A 161 -8.530 3.540 -3.935 1.00 0.65 C ATOM 613 CE1 TYR A 161 -7.424 1.015 -3.869 1.00 0.49 C ATOM 614 CE2 TYR A 161 -8.934 2.590 -4.850 1.00 0.74 C ATOM 615 CZ TYR A 161 -8.377 1.329 -4.812 1.00 0.63 C ATOM 616 OH TYR A 161 -8.780 0.379 -5.716 1.00 0.82 O ATOM 0 H TYR A 161 -4.812 3.684 -1.143 1.00 0.32 H new ATOM 0 HA TYR A 161 -5.891 5.356 -3.319 1.00 0.36 H new ATOM 0 HB2 TYR A 161 -7.018 3.768 -0.996 1.00 0.49 H new ATOM 0 HB3 TYR A 161 -7.978 4.980 -1.821 1.00 0.49 H new ATOM 0 HD1 TYR A 161 -6.289 1.719 -2.213 1.00 0.38 H new ATOM 0 HD2 TYR A 161 -8.964 4.528 -3.968 1.00 0.65 H new ATOM 0 HE1 TYR A 161 -6.987 0.028 -3.845 1.00 0.49 H new ATOM 0 HE2 TYR A 161 -9.681 2.832 -5.591 1.00 0.74 H new ATOM 0 HH TYR A 161 -9.458 0.761 -6.311 1.00 0.82 H new ATOM 626 N TYR A 162 -5.581 7.436 -1.984 1.00 0.31 N ATOM 627 CA TYR A 162 -5.646 8.695 -1.257 1.00 0.27 C ATOM 628 C TYR A 162 -5.633 9.851 -2.236 1.00 0.31 C ATOM 629 O TYR A 162 -5.328 9.661 -3.374 1.00 0.55 O ATOM 630 CB TYR A 162 -4.487 8.816 -0.262 1.00 0.39 C ATOM 631 CG TYR A 162 -3.111 8.943 -0.891 1.00 0.46 C ATOM 632 CD1 TYR A 162 -2.384 7.823 -1.267 1.00 0.77 C ATOM 633 CD2 TYR A 162 -2.537 10.188 -1.100 1.00 0.89 C ATOM 634 CE1 TYR A 162 -1.129 7.945 -1.833 1.00 1.16 C ATOM 635 CE2 TYR A 162 -1.287 10.319 -1.668 1.00 1.29 C ATOM 636 CZ TYR A 162 -0.586 9.194 -2.031 1.00 1.35 C ATOM 637 OH TYR A 162 0.653 9.321 -2.611 1.00 1.82 O ATOM 0 H TYR A 162 -5.305 7.525 -2.962 1.00 0.31 H new ATOM 0 HA TYR A 162 -6.575 8.721 -0.687 1.00 0.27 H new ATOM 0 HB2 TYR A 162 -4.662 9.685 0.372 1.00 0.39 H new ATOM 0 HB3 TYR A 162 -4.493 7.941 0.388 1.00 0.39 H new ATOM 0 HD1 TYR A 162 -2.805 6.840 -1.115 1.00 0.77 H new ATOM 0 HD2 TYR A 162 -3.081 11.075 -0.811 1.00 0.89 H new ATOM 0 HE1 TYR A 162 -0.576 7.063 -2.119 1.00 1.16 H new ATOM 0 HE2 TYR A 162 -0.862 11.299 -1.826 1.00 1.29 H new ATOM 0 HH TYR A 162 1.224 9.881 -2.044 1.00 1.82 H new ATOM 647 N ARG A 163 -5.962 11.037 -1.791 1.00 0.26 N ATOM 648 CA ARG A 163 -5.920 12.220 -2.630 1.00 0.32 C ATOM 649 C ARG A 163 -4.633 12.963 -2.292 1.00 0.36 C ATOM 650 O ARG A 163 -3.987 12.604 -1.313 1.00 0.41 O ATOM 651 CB ARG A 163 -7.157 13.093 -2.414 1.00 0.41 C ATOM 652 CG ARG A 163 -7.157 13.867 -1.111 1.00 0.75 C ATOM 653 CD ARG A 163 -8.017 15.106 -1.249 1.00 1.28 C ATOM 654 NE ARG A 163 -8.049 15.916 -0.034 1.00 1.93 N ATOM 655 CZ ARG A 163 -8.688 17.084 0.049 1.00 2.58 C ATOM 656 NH1 ARG A 163 -9.298 17.588 -1.018 1.00 2.91 N ATOM 657 NH2 ARG A 163 -8.696 17.755 1.193 1.00 3.26 N ATOM 0 H ARG A 163 -6.268 11.216 -0.835 1.00 0.26 H new ATOM 0 HA ARG A 163 -5.928 11.948 -3.685 1.00 0.32 H new ATOM 0 HB2 ARG A 163 -7.238 13.798 -3.241 1.00 0.41 H new ATOM 0 HB3 ARG A 163 -8.044 12.460 -2.447 1.00 0.41 H new ATOM 0 HG2 ARG A 163 -7.535 13.239 -0.305 1.00 0.75 H new ATOM 0 HG3 ARG A 163 -6.138 14.148 -0.845 1.00 0.75 H new ATOM 0 HD2 ARG A 163 -7.642 15.712 -2.074 1.00 1.28 H new ATOM 0 HD3 ARG A 163 -9.033 14.809 -1.508 1.00 1.28 H new ATOM 0 HE ARG A 163 -7.559 15.572 0.791 1.00 1.93 H new ATOM 0 HH11 ARG A 163 -9.278 17.082 -1.903 1.00 2.91 H new ATOM 0 HH12 ARG A 163 -9.786 18.481 -0.952 1.00 2.91 H new ATOM 0 HH21 ARG A 163 -8.214 17.378 2.009 1.00 3.26 H new ATOM 0 HH22 ARG A 163 -9.184 18.648 1.257 1.00 3.26 H new ATOM 671 N PRO A 164 -4.231 14.018 -3.013 1.00 0.45 N ATOM 672 CA PRO A 164 -2.829 14.404 -3.037 1.00 0.51 C ATOM 673 C PRO A 164 -2.463 15.343 -1.897 1.00 0.51 C ATOM 674 O PRO A 164 -3.080 16.389 -1.674 1.00 0.57 O ATOM 675 CB PRO A 164 -2.733 15.123 -4.379 1.00 0.65 C ATOM 676 CG PRO A 164 -4.059 15.780 -4.552 1.00 0.80 C ATOM 677 CD PRO A 164 -5.063 14.888 -3.869 1.00 0.53 C ATOM 0 HA PRO A 164 -2.151 13.559 -2.920 1.00 0.51 H new ATOM 0 HB2 PRO A 164 -1.925 15.855 -4.379 1.00 0.65 H new ATOM 0 HB3 PRO A 164 -2.529 14.423 -5.189 1.00 0.65 H new ATOM 0 HG2 PRO A 164 -4.060 16.777 -4.111 1.00 0.80 H new ATOM 0 HG3 PRO A 164 -4.299 15.899 -5.608 1.00 0.80 H new ATOM 0 HD2 PRO A 164 -5.777 15.465 -3.281 1.00 0.53 H new ATOM 0 HD3 PRO A 164 -5.639 14.308 -4.590 1.00 0.53 H new ATOM 685 N VAL A 165 -1.432 14.923 -1.179 1.00 0.52 N ATOM 686 CA VAL A 165 -1.136 15.428 0.146 1.00 0.50 C ATOM 687 C VAL A 165 0.294 15.950 0.241 1.00 0.49 C ATOM 688 O VAL A 165 1.163 15.560 -0.538 1.00 0.47 O ATOM 689 CB VAL A 165 -1.342 14.298 1.183 1.00 0.50 C ATOM 690 CG1 VAL A 165 -0.379 13.151 0.923 1.00 1.31 C ATOM 691 CG2 VAL A 165 -1.190 14.802 2.607 1.00 1.15 C ATOM 0 H VAL A 165 -0.774 14.216 -1.506 1.00 0.52 H new ATOM 0 HA VAL A 165 -1.812 16.258 0.351 1.00 0.50 H new ATOM 0 HB VAL A 165 -2.364 13.935 1.069 1.00 0.50 H new ATOM 0 HG11 VAL A 165 -0.539 12.366 1.663 1.00 1.31 H new ATOM 0 HG12 VAL A 165 -0.552 12.750 -0.075 1.00 1.31 H new ATOM 0 HG13 VAL A 165 0.646 13.513 0.995 1.00 1.31 H new ATOM 0 HG21 VAL A 165 -1.342 13.977 3.303 1.00 1.15 H new ATOM 0 HG22 VAL A 165 -0.189 15.212 2.743 1.00 1.15 H new ATOM 0 HG23 VAL A 165 -1.929 15.580 2.799 1.00 1.15 H new ATOM 701 N ASP A 166 0.509 16.827 1.209 1.00 0.62 N ATOM 702 CA ASP A 166 1.817 17.401 1.489 1.00 0.67 C ATOM 703 C ASP A 166 1.729 18.294 2.713 1.00 0.90 C ATOM 704 O ASP A 166 2.625 18.317 3.555 1.00 1.48 O ATOM 705 CB ASP A 166 2.329 18.205 0.288 1.00 0.62 C ATOM 706 CG ASP A 166 3.299 19.308 0.688 1.00 0.70 C ATOM 707 OD1 ASP A 166 4.490 19.011 0.908 1.00 0.90 O ATOM 708 OD2 ASP A 166 2.869 20.476 0.784 1.00 1.07 O ATOM 0 H ASP A 166 -0.227 17.164 1.829 1.00 0.62 H new ATOM 0 HA ASP A 166 2.520 16.590 1.680 1.00 0.67 H new ATOM 0 HB2 ASP A 166 2.822 17.530 -0.412 1.00 0.62 H new ATOM 0 HB3 ASP A 166 1.481 18.645 -0.237 1.00 0.62 H new ATOM 713 N GLN A 167 0.613 18.996 2.816 1.00 0.75 N ATOM 714 CA GLN A 167 0.415 19.985 3.862 1.00 0.96 C ATOM 715 C GLN A 167 -0.480 19.459 4.984 1.00 0.87 C ATOM 716 O GLN A 167 -1.019 20.237 5.769 1.00 1.10 O ATOM 717 CB GLN A 167 -0.181 21.248 3.243 1.00 1.34 C ATOM 718 CG GLN A 167 -1.412 20.982 2.389 1.00 1.50 C ATOM 719 CD GLN A 167 -1.741 22.136 1.469 1.00 2.16 C ATOM 720 OE1 GLN A 167 -2.480 23.048 1.832 1.00 2.71 O ATOM 721 NE2 GLN A 167 -1.196 22.098 0.265 1.00 2.72 N ATOM 0 H GLN A 167 -0.178 18.897 2.180 1.00 0.75 H new ATOM 0 HA GLN A 167 1.381 20.213 4.312 1.00 0.96 H new ATOM 0 HB2 GLN A 167 -0.444 21.944 4.039 1.00 1.34 H new ATOM 0 HB3 GLN A 167 0.578 21.736 2.631 1.00 1.34 H new ATOM 0 HG2 GLN A 167 -1.250 20.083 1.795 1.00 1.50 H new ATOM 0 HG3 GLN A 167 -2.265 20.785 3.039 1.00 1.50 H new ATOM 0 HE21 GLN A 167 -0.588 21.322 0.005 1.00 2.72 H new ATOM 0 HE22 GLN A 167 -1.384 22.845 -0.404 1.00 2.72 H new ATOM 730 N TYR A 168 -0.625 18.139 5.070 1.00 0.82 N ATOM 731 CA TYR A 168 -1.395 17.533 6.157 1.00 0.92 C ATOM 732 C TYR A 168 -0.485 17.188 7.329 1.00 0.95 C ATOM 733 O TYR A 168 -0.954 16.749 8.380 1.00 1.61 O ATOM 734 CB TYR A 168 -2.150 16.285 5.689 1.00 1.02 C ATOM 735 CG TYR A 168 -3.518 16.578 5.107 1.00 1.24 C ATOM 736 CD1 TYR A 168 -4.582 16.925 5.932 1.00 1.62 C ATOM 737 CD2 TYR A 168 -3.749 16.497 3.739 1.00 2.02 C ATOM 738 CE1 TYR A 168 -5.835 17.181 5.410 1.00 2.11 C ATOM 739 CE2 TYR A 168 -4.999 16.753 3.210 1.00 2.63 C ATOM 740 CZ TYR A 168 -6.038 17.094 4.049 1.00 2.50 C ATOM 741 OH TYR A 168 -7.286 17.344 3.526 1.00 3.21 O ATOM 0 H TYR A 168 -0.225 17.473 4.409 1.00 0.82 H new ATOM 0 HA TYR A 168 -2.132 18.266 6.483 1.00 0.92 H new ATOM 0 HB2 TYR A 168 -1.550 15.769 4.940 1.00 1.02 H new ATOM 0 HB3 TYR A 168 -2.263 15.603 6.532 1.00 1.02 H new ATOM 0 HD1 TYR A 168 -4.426 16.996 6.998 1.00 1.62 H new ATOM 0 HD2 TYR A 168 -2.938 16.229 3.078 1.00 2.02 H new ATOM 0 HE1 TYR A 168 -6.651 17.448 6.065 1.00 2.11 H new ATOM 0 HE2 TYR A 168 -5.161 16.686 2.144 1.00 2.63 H new ATOM 0 HH TYR A 168 -7.755 17.991 4.093 1.00 3.21 H new ATOM 751 N SER A 169 0.819 17.369 7.117 1.00 1.17 N ATOM 752 CA SER A 169 1.829 17.249 8.169 1.00 1.17 C ATOM 753 C SER A 169 2.081 15.789 8.564 1.00 1.05 C ATOM 754 O SER A 169 3.168 15.256 8.333 1.00 1.12 O ATOM 755 CB SER A 169 1.430 18.083 9.395 1.00 1.40 C ATOM 756 OG SER A 169 2.543 18.329 10.235 1.00 1.94 O ATOM 0 H SER A 169 1.207 17.605 6.204 1.00 1.17 H new ATOM 0 HA SER A 169 2.765 17.638 7.768 1.00 1.17 H new ATOM 0 HB2 SER A 169 1.002 19.031 9.069 1.00 1.40 H new ATOM 0 HB3 SER A 169 0.656 17.560 9.957 1.00 1.40 H new ATOM 0 HG SER A 169 2.259 18.863 11.006 1.00 1.94 H new ATOM 762 N ASN A 170 1.081 15.146 9.154 1.00 0.98 N ATOM 763 CA ASN A 170 1.231 13.775 9.628 1.00 0.89 C ATOM 764 C ASN A 170 1.016 12.791 8.489 1.00 0.68 C ATOM 765 O ASN A 170 -0.105 12.613 8.007 1.00 0.75 O ATOM 766 CB ASN A 170 0.248 13.480 10.766 1.00 1.08 C ATOM 767 CG ASN A 170 0.497 14.340 11.993 1.00 1.74 C ATOM 768 OD1 ASN A 170 -0.047 15.440 12.114 1.00 2.20 O ATOM 769 ND2 ASN A 170 1.312 13.845 12.913 1.00 2.25 N ATOM 0 H ASN A 170 0.159 15.551 9.316 1.00 0.98 H new ATOM 0 HA ASN A 170 2.246 13.660 10.008 1.00 0.89 H new ATOM 0 HB2 ASN A 170 -0.770 13.644 10.413 1.00 1.08 H new ATOM 0 HB3 ASN A 170 0.324 12.428 11.043 1.00 1.08 H new ATOM 0 HD21 ASN A 170 1.509 14.378 13.760 1.00 2.25 H new ATOM 0 HD22 ASN A 170 1.742 12.931 12.775 1.00 2.25 H new ATOM 776 N GLN A 171 2.091 12.135 8.078 1.00 0.63 N ATOM 777 CA GLN A 171 2.046 11.251 6.926 1.00 0.56 C ATOM 778 C GLN A 171 1.589 9.859 7.304 1.00 0.47 C ATOM 779 O GLN A 171 0.659 9.355 6.723 1.00 0.60 O ATOM 780 CB GLN A 171 3.396 11.198 6.209 1.00 0.86 C ATOM 781 CG GLN A 171 4.593 11.422 7.112 1.00 0.71 C ATOM 782 CD GLN A 171 5.227 10.143 7.624 1.00 1.11 C ATOM 783 OE1 GLN A 171 4.923 9.784 8.862 1.00 1.63 O flip ATOM 784 NE2 GLN A 171 6.046 9.529 6.942 1.00 1.41 N flip ATOM 0 H GLN A 171 3.005 12.199 8.526 1.00 0.63 H new ATOM 0 HA GLN A 171 1.311 11.667 6.236 1.00 0.56 H new ATOM 0 HB2 GLN A 171 3.498 10.227 5.724 1.00 0.86 H new ATOM 0 HB3 GLN A 171 3.405 11.951 5.421 1.00 0.86 H new ATOM 0 HG2 GLN A 171 5.344 11.995 6.568 1.00 0.71 H new ATOM 0 HG3 GLN A 171 4.284 12.029 7.963 1.00 0.71 H new ATOM 0 HE21 GLN A 171 6.252 9.838 5.992 1.00 1.41 H new ATOM 0 HE22 GLN A 171 6.519 8.711 7.326 1.00 1.41 H new ATOM 793 N ASN A 172 2.218 9.260 8.298 1.00 0.47 N ATOM 794 CA ASN A 172 1.905 7.888 8.690 1.00 0.49 C ATOM 795 C ASN A 172 0.441 7.743 9.088 1.00 0.42 C ATOM 796 O ASN A 172 -0.139 6.676 8.947 1.00 0.52 O ATOM 797 CB ASN A 172 2.797 7.432 9.843 1.00 0.65 C ATOM 798 CG ASN A 172 2.609 8.265 11.103 1.00 1.19 C ATOM 799 OD1 ASN A 172 2.283 9.454 11.041 1.00 1.88 O ATOM 800 ND2 ASN A 172 2.809 7.653 12.254 1.00 1.56 N ATOM 0 H ASN A 172 2.952 9.699 8.854 1.00 0.47 H new ATOM 0 HA ASN A 172 2.093 7.255 7.823 1.00 0.49 H new ATOM 0 HB2 ASN A 172 2.584 6.387 10.069 1.00 0.65 H new ATOM 0 HB3 ASN A 172 3.840 7.484 9.531 1.00 0.65 H new ATOM 0 HD21 ASN A 172 2.695 8.164 13.130 1.00 1.56 H new ATOM 0 HD22 ASN A 172 3.078 6.669 12.269 1.00 1.56 H new ATOM 807 N SER A 173 -0.146 8.819 9.583 1.00 0.41 N ATOM 808 CA SER A 173 -1.553 8.823 9.943 1.00 0.46 C ATOM 809 C SER A 173 -2.419 8.880 8.686 1.00 0.37 C ATOM 810 O SER A 173 -3.239 7.995 8.452 1.00 0.36 O ATOM 811 CB SER A 173 -1.847 10.007 10.869 1.00 0.60 C ATOM 812 OG SER A 173 -3.204 10.027 11.275 1.00 0.74 O ATOM 0 H SER A 173 0.333 9.705 9.745 1.00 0.41 H new ATOM 0 HA SER A 173 -1.792 7.902 10.475 1.00 0.46 H new ATOM 0 HB2 SER A 173 -1.205 9.951 11.748 1.00 0.60 H new ATOM 0 HB3 SER A 173 -1.606 10.939 10.357 1.00 0.60 H new ATOM 0 HG SER A 173 -3.357 10.794 11.866 1.00 0.74 H new ATOM 818 N PHE A 174 -2.207 9.912 7.874 1.00 0.33 N ATOM 819 CA PHE A 174 -2.912 10.066 6.603 1.00 0.32 C ATOM 820 C PHE A 174 -2.658 8.866 5.701 1.00 0.24 C ATOM 821 O PHE A 174 -3.555 8.363 5.032 1.00 0.30 O ATOM 822 CB PHE A 174 -2.430 11.348 5.909 1.00 0.40 C ATOM 823 CG PHE A 174 -2.947 11.524 4.502 1.00 0.61 C ATOM 824 CD1 PHE A 174 -2.264 10.995 3.416 1.00 0.99 C ATOM 825 CD2 PHE A 174 -4.124 12.221 4.270 1.00 1.12 C ATOM 826 CE1 PHE A 174 -2.747 11.160 2.128 1.00 1.29 C ATOM 827 CE2 PHE A 174 -4.608 12.389 2.990 1.00 1.41 C ATOM 828 CZ PHE A 174 -3.881 11.836 1.899 1.00 1.33 C ATOM 0 H PHE A 174 -1.546 10.662 8.076 1.00 0.33 H new ATOM 0 HA PHE A 174 -3.983 10.131 6.797 1.00 0.32 H new ATOM 0 HB2 PHE A 174 -2.735 12.207 6.506 1.00 0.40 H new ATOM 0 HB3 PHE A 174 -1.340 11.347 5.886 1.00 0.40 H new ATOM 0 HD1 PHE A 174 -1.346 10.449 3.577 1.00 0.99 H new ATOM 0 HD2 PHE A 174 -4.669 12.638 5.104 1.00 1.12 H new ATOM 0 HE1 PHE A 174 -2.202 10.738 1.297 1.00 1.29 H new ATOM 0 HE2 PHE A 174 -5.525 12.932 2.818 1.00 1.41 H new ATOM 0 HZ PHE A 174 -4.242 11.961 0.889 1.00 1.33 H new ATOM 838 N VAL A 175 -1.424 8.415 5.708 1.00 0.20 N ATOM 839 CA VAL A 175 -0.968 7.403 4.788 1.00 0.20 C ATOM 840 C VAL A 175 -1.370 5.994 5.199 1.00 0.22 C ATOM 841 O VAL A 175 -2.033 5.319 4.431 1.00 0.25 O ATOM 842 CB VAL A 175 0.540 7.545 4.573 1.00 0.28 C ATOM 843 CG1 VAL A 175 1.265 6.222 4.587 1.00 0.33 C ATOM 844 CG2 VAL A 175 0.746 8.243 3.266 1.00 0.41 C ATOM 0 H VAL A 175 -0.707 8.742 6.355 1.00 0.20 H new ATOM 0 HA VAL A 175 -1.471 7.566 3.835 1.00 0.20 H new ATOM 0 HB VAL A 175 0.959 8.119 5.399 1.00 0.28 H new ATOM 0 HG11 VAL A 175 2.330 6.389 4.429 1.00 0.33 H new ATOM 0 HG12 VAL A 175 1.113 5.734 5.550 1.00 0.33 H new ATOM 0 HG13 VAL A 175 0.876 5.586 3.792 1.00 0.33 H new ATOM 0 HG21 VAL A 175 1.814 8.361 3.081 1.00 0.41 H new ATOM 0 HG22 VAL A 175 0.302 7.653 2.464 1.00 0.41 H new ATOM 0 HG23 VAL A 175 0.273 9.224 3.299 1.00 0.41 H new ATOM 854 N HIS A 176 -0.955 5.514 6.366 1.00 0.26 N ATOM 855 CA HIS A 176 -1.577 4.292 6.903 1.00 0.33 C ATOM 856 C HIS A 176 -3.122 4.330 6.756 1.00 0.30 C ATOM 857 O HIS A 176 -3.760 3.288 6.677 1.00 0.32 O ATOM 858 CB HIS A 176 -1.190 4.035 8.369 1.00 0.46 C ATOM 859 CG HIS A 176 -1.598 2.672 8.866 1.00 0.73 C ATOM 860 ND1 HIS A 176 -0.743 1.588 8.904 1.00 0.97 N ATOM 861 CD2 HIS A 176 -2.790 2.213 9.316 1.00 1.40 C ATOM 862 CE1 HIS A 176 -1.395 0.531 9.348 1.00 1.32 C ATOM 863 NE2 HIS A 176 -2.640 0.880 9.607 1.00 1.69 N ATOM 0 H HIS A 176 -0.222 5.926 6.944 1.00 0.26 H new ATOM 0 HA HIS A 176 -1.190 3.464 6.308 1.00 0.33 H new ATOM 0 HB2 HIS A 176 -0.111 4.145 8.477 1.00 0.46 H new ATOM 0 HB3 HIS A 176 -1.652 4.796 8.998 1.00 0.46 H new ATOM 0 HD1 HIS A 176 0.240 1.603 8.631 1.00 0.97 H new ATOM 0 HD2 HIS A 176 -3.695 2.791 9.426 1.00 1.40 H new ATOM 0 HE1 HIS A 176 -0.978 -0.457 9.478 1.00 1.32 H new ATOM 872 N ASP A 177 -3.720 5.524 6.706 1.00 0.30 N ATOM 873 CA ASP A 177 -5.163 5.649 6.453 1.00 0.33 C ATOM 874 C ASP A 177 -5.492 5.416 4.988 1.00 0.28 C ATOM 875 O ASP A 177 -6.494 4.791 4.695 1.00 0.29 O ATOM 876 CB ASP A 177 -5.689 7.008 6.911 1.00 0.41 C ATOM 877 CG ASP A 177 -7.194 7.131 6.774 1.00 0.60 C ATOM 878 OD1 ASP A 177 -7.921 6.321 7.384 1.00 0.81 O ATOM 879 OD2 ASP A 177 -7.661 8.032 6.038 1.00 0.84 O ATOM 0 H ASP A 177 -3.235 6.412 6.836 1.00 0.30 H new ATOM 0 HA ASP A 177 -5.662 4.876 7.037 1.00 0.33 H new ATOM 0 HB2 ASP A 177 -5.409 7.169 7.952 1.00 0.41 H new ATOM 0 HB3 ASP A 177 -5.210 7.794 6.327 1.00 0.41 H new ATOM 884 N CYS A 178 -4.636 5.872 4.079 1.00 0.26 N ATOM 885 CA CYS A 178 -4.821 5.625 2.654 1.00 0.27 C ATOM 886 C CYS A 178 -4.853 4.129 2.411 1.00 0.24 C ATOM 887 O CYS A 178 -5.595 3.622 1.573 1.00 0.29 O ATOM 888 CB CYS A 178 -3.683 6.225 1.823 1.00 0.34 C ATOM 889 SG CYS A 178 -2.247 5.129 1.634 1.00 0.79 S ATOM 0 H CYS A 178 -3.804 6.417 4.306 1.00 0.26 H new ATOM 0 HA CYS A 178 -5.757 6.094 2.351 1.00 0.27 H new ATOM 0 HB2 CYS A 178 -4.065 6.480 0.834 1.00 0.34 H new ATOM 0 HB3 CYS A 178 -3.358 7.155 2.289 1.00 0.34 H new ATOM 894 N VAL A 179 -3.995 3.425 3.121 1.00 0.23 N ATOM 895 CA VAL A 179 -4.038 1.986 3.110 1.00 0.22 C ATOM 896 C VAL A 179 -5.261 1.454 3.850 1.00 0.22 C ATOM 897 O VAL A 179 -5.829 0.450 3.448 1.00 0.22 O ATOM 898 CB VAL A 179 -2.763 1.383 3.684 1.00 0.21 C ATOM 899 CG1 VAL A 179 -1.626 2.368 3.566 1.00 0.21 C ATOM 900 CG2 VAL A 179 -2.945 0.894 5.104 1.00 0.24 C ATOM 0 H VAL A 179 -3.265 3.828 3.708 1.00 0.23 H new ATOM 0 HA VAL A 179 -4.116 1.680 2.067 1.00 0.22 H new ATOM 0 HB VAL A 179 -2.515 0.500 3.095 1.00 0.21 H new ATOM 0 HG11 VAL A 179 -0.719 1.928 3.979 1.00 0.21 H new ATOM 0 HG12 VAL A 179 -1.465 2.613 2.516 1.00 0.21 H new ATOM 0 HG13 VAL A 179 -1.872 3.276 4.117 1.00 0.21 H new ATOM 0 HG21 VAL A 179 -2.007 0.473 5.467 1.00 0.24 H new ATOM 0 HG22 VAL A 179 -3.239 1.728 5.741 1.00 0.24 H new ATOM 0 HG23 VAL A 179 -3.720 0.128 5.128 1.00 0.24 H new ATOM 910 N ASN A 180 -5.704 2.135 4.903 1.00 0.25 N ATOM 911 CA ASN A 180 -6.966 1.769 5.549 1.00 0.27 C ATOM 912 C ASN A 180 -8.099 1.890 4.540 1.00 0.27 C ATOM 913 O ASN A 180 -9.243 1.556 4.827 1.00 0.30 O ATOM 914 CB ASN A 180 -7.265 2.647 6.770 1.00 0.31 C ATOM 915 CG ASN A 180 -6.420 2.296 7.980 1.00 0.77 C ATOM 916 OD1 ASN A 180 -5.998 1.151 8.155 1.00 1.41 O ATOM 917 ND2 ASN A 180 -6.178 3.279 8.833 1.00 1.30 N ATOM 0 H ASN A 180 -5.221 2.929 5.323 1.00 0.25 H new ATOM 0 HA ASN A 180 -6.878 0.741 5.900 1.00 0.27 H new ATOM 0 HB2 ASN A 180 -7.097 3.692 6.508 1.00 0.31 H new ATOM 0 HB3 ASN A 180 -8.319 2.549 7.030 1.00 0.31 H new ATOM 0 HD21 ASN A 180 -5.624 3.102 9.671 1.00 1.30 H new ATOM 0 HD22 ASN A 180 -6.545 4.213 8.652 1.00 1.30 H new ATOM 924 N ILE A 181 -7.768 2.454 3.388 1.00 0.25 N ATOM 925 CA ILE A 181 -8.626 2.454 2.219 1.00 0.29 C ATOM 926 C ILE A 181 -8.227 1.328 1.237 1.00 0.27 C ATOM 927 O ILE A 181 -9.076 0.621 0.720 1.00 0.36 O ATOM 928 CB ILE A 181 -8.524 3.803 1.493 1.00 0.35 C ATOM 929 CG1 ILE A 181 -8.125 4.901 2.460 1.00 0.49 C ATOM 930 CG2 ILE A 181 -9.838 4.171 0.872 1.00 0.40 C ATOM 931 CD1 ILE A 181 -9.252 5.393 3.345 1.00 1.14 C ATOM 0 H ILE A 181 -6.879 2.932 3.240 1.00 0.25 H new ATOM 0 HA ILE A 181 -9.649 2.286 2.556 1.00 0.29 H new ATOM 0 HB ILE A 181 -7.766 3.702 0.716 1.00 0.35 H new ATOM 0 HG12 ILE A 181 -7.316 4.536 3.092 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -7.731 5.744 1.892 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -9.744 5.130 0.363 1.00 0.40 H new ATOM 0 HG22 ILE A 181 -10.128 3.405 0.153 1.00 0.40 H new ATOM 0 HG23 ILE A 181 -10.599 4.246 1.649 1.00 0.40 H new ATOM 0 HD11 ILE A 181 -8.881 6.177 4.005 1.00 1.14 H new ATOM 0 HD12 ILE A 181 -10.055 5.792 2.724 1.00 1.14 H new ATOM 0 HD13 ILE A 181 -9.633 4.565 3.943 1.00 1.14 H new ATOM 943 N THR A 182 -6.918 1.154 1.031 1.00 0.20 N ATOM 944 CA THR A 182 -6.367 0.249 0.005 1.00 0.20 C ATOM 945 C THR A 182 -6.552 -1.181 0.382 1.00 0.24 C ATOM 946 O THR A 182 -7.033 -2.012 -0.397 1.00 0.26 O ATOM 947 CB THR A 182 -4.852 0.470 -0.207 1.00 0.20 C ATOM 948 OG1 THR A 182 -4.652 1.656 -0.934 1.00 0.22 O ATOM 949 CG2 THR A 182 -4.218 -0.678 -0.980 1.00 0.26 C ATOM 0 H THR A 182 -6.202 1.638 1.573 1.00 0.20 H new ATOM 0 HA THR A 182 -6.912 0.478 -0.911 1.00 0.20 H new ATOM 0 HB THR A 182 -4.385 0.529 0.776 1.00 0.20 H new ATOM 0 HG1 THR A 182 -4.346 2.363 -0.328 1.00 0.22 H new ATOM 0 HG21 THR A 182 -3.153 -0.486 -1.109 1.00 0.26 H new ATOM 0 HG22 THR A 182 -4.355 -1.608 -0.428 1.00 0.26 H new ATOM 0 HG23 THR A 182 -4.692 -0.764 -1.958 1.00 0.26 H new ATOM 957 N VAL A 183 -6.164 -1.442 1.596 1.00 0.28 N ATOM 958 CA VAL A 183 -6.205 -2.752 2.163 1.00 0.36 C ATOM 959 C VAL A 183 -7.663 -3.156 2.360 1.00 0.44 C ATOM 960 O VAL A 183 -7.977 -4.226 2.867 1.00 0.74 O ATOM 961 CB VAL A 183 -5.379 -2.774 3.469 1.00 0.34 C ATOM 962 CG1 VAL A 183 -4.183 -1.853 3.336 1.00 0.26 C ATOM 963 CG2 VAL A 183 -6.214 -2.423 4.694 1.00 0.40 C ATOM 0 H VAL A 183 -5.802 -0.731 2.232 1.00 0.28 H new ATOM 0 HA VAL A 183 -5.753 -3.488 1.498 1.00 0.36 H new ATOM 0 HB VAL A 183 -5.028 -3.794 3.623 1.00 0.34 H new ATOM 0 HG11 VAL A 183 -3.604 -1.872 4.260 1.00 0.26 H new ATOM 0 HG12 VAL A 183 -3.557 -2.187 2.508 1.00 0.26 H new ATOM 0 HG13 VAL A 183 -4.526 -0.836 3.144 1.00 0.26 H new ATOM 0 HG21 VAL A 183 -5.585 -2.453 5.584 1.00 0.40 H new ATOM 0 HG22 VAL A 183 -6.629 -1.422 4.577 1.00 0.40 H new ATOM 0 HG23 VAL A 183 -7.026 -3.142 4.799 1.00 0.40 H new ATOM 973 N LYS A 184 -8.550 -2.236 1.985 1.00 0.32 N ATOM 974 CA LYS A 184 -9.967 -2.499 1.935 1.00 0.34 C ATOM 975 C LYS A 184 -10.409 -2.892 0.537 1.00 0.35 C ATOM 976 O LYS A 184 -10.729 -4.040 0.276 1.00 0.37 O ATOM 977 CB LYS A 184 -10.723 -1.249 2.329 1.00 0.38 C ATOM 978 CG LYS A 184 -10.312 -0.745 3.675 1.00 0.43 C ATOM 979 CD LYS A 184 -10.575 -1.773 4.742 1.00 0.76 C ATOM 980 CE LYS A 184 -9.661 -1.577 5.941 1.00 0.60 C ATOM 981 NZ LYS A 184 -10.172 -2.261 7.156 1.00 1.00 N ATOM 0 H LYS A 184 -8.295 -1.288 1.709 1.00 0.32 H new ATOM 0 HA LYS A 184 -10.177 -3.320 2.620 1.00 0.34 H new ATOM 0 HB2 LYS A 184 -10.552 -0.472 1.584 1.00 0.38 H new ATOM 0 HB3 LYS A 184 -11.793 -1.458 2.332 1.00 0.38 H new ATOM 0 HG2 LYS A 184 -9.252 -0.491 3.664 1.00 0.43 H new ATOM 0 HG3 LYS A 184 -10.857 0.171 3.906 1.00 0.43 H new ATOM 0 HD2 LYS A 184 -11.615 -1.709 5.062 1.00 0.76 H new ATOM 0 HD3 LYS A 184 -10.428 -2.772 4.331 1.00 0.76 H new ATOM 0 HE2 LYS A 184 -8.667 -1.957 5.704 1.00 0.60 H new ATOM 0 HE3 LYS A 184 -9.555 -0.511 6.144 1.00 0.60 H new ATOM 0 HZ1 LYS A 184 -9.516 -2.099 7.947 1.00 1.00 H new ATOM 0 HZ2 LYS A 184 -11.109 -1.881 7.400 1.00 1.00 H new ATOM 0 HZ3 LYS A 184 -10.249 -3.282 6.973 1.00 1.00 H new ATOM 995 N GLN A 185 -10.354 -1.911 -0.359 1.00 0.38 N ATOM 996 CA GLN A 185 -10.878 -2.017 -1.721 1.00 0.49 C ATOM 997 C GLN A 185 -10.461 -3.301 -2.408 1.00 0.51 C ATOM 998 O GLN A 185 -11.187 -3.840 -3.245 1.00 0.64 O ATOM 999 CB GLN A 185 -10.392 -0.818 -2.522 1.00 0.60 C ATOM 1000 CG GLN A 185 -10.492 0.467 -1.727 1.00 0.78 C ATOM 1001 CD GLN A 185 -11.894 0.722 -1.222 1.00 1.38 C ATOM 1002 OE1 GLN A 185 -12.875 0.343 -1.859 1.00 1.83 O ATOM 1003 NE2 GLN A 185 -11.997 1.341 -0.056 1.00 2.13 N ATOM 0 H GLN A 185 -9.937 -1.002 -0.157 1.00 0.38 H new ATOM 0 HA GLN A 185 -11.966 -2.032 -1.665 1.00 0.49 H new ATOM 0 HB2 GLN A 185 -9.357 -0.978 -2.825 1.00 0.60 H new ATOM 0 HB3 GLN A 185 -10.981 -0.728 -3.435 1.00 0.60 H new ATOM 0 HG2 GLN A 185 -9.806 0.422 -0.881 1.00 0.78 H new ATOM 0 HG3 GLN A 185 -10.175 1.303 -2.351 1.00 0.78 H new ATOM 0 HE21 GLN A 185 -11.157 1.639 0.439 1.00 2.13 H new ATOM 0 HE22 GLN A 185 -12.917 1.520 0.347 1.00 2.13 H new ATOM 1012 N HIS A 186 -9.292 -3.786 -2.057 1.00 0.45 N ATOM 1013 CA HIS A 186 -8.832 -5.046 -2.574 1.00 0.54 C ATOM 1014 C HIS A 186 -9.289 -6.187 -1.664 1.00 0.69 C ATOM 1015 O HIS A 186 -10.188 -6.938 -2.011 1.00 1.31 O ATOM 1016 CB HIS A 186 -7.304 -4.999 -2.715 1.00 0.49 C ATOM 1017 CG HIS A 186 -6.866 -4.465 -4.043 1.00 0.53 C ATOM 1018 ND1 HIS A 186 -6.886 -5.212 -5.200 1.00 0.68 N ATOM 1019 CD2 HIS A 186 -6.422 -3.237 -4.399 1.00 0.54 C ATOM 1020 CE1 HIS A 186 -6.473 -4.469 -6.208 1.00 0.72 C ATOM 1021 NE2 HIS A 186 -6.183 -3.267 -5.748 1.00 0.66 N ATOM 0 H HIS A 186 -8.646 -3.325 -1.416 1.00 0.45 H new ATOM 0 HA HIS A 186 -9.262 -5.230 -3.559 1.00 0.54 H new ATOM 0 HB2 HIS A 186 -6.888 -4.377 -1.922 1.00 0.49 H new ATOM 0 HB3 HIS A 186 -6.899 -6.002 -2.579 1.00 0.49 H new ATOM 0 HD1 HIS A 186 -7.175 -6.188 -5.267 1.00 0.68 H new ATOM 0 HD2 HIS A 186 -6.282 -2.391 -3.742 1.00 0.54 H new ATOM 0 HE1 HIS A 186 -6.387 -4.790 -7.236 1.00 0.72 H new ATOM 1030 N THR A 187 -8.698 -6.246 -0.494 1.00 0.38 N ATOM 1031 CA THR A 187 -8.989 -7.204 0.585 1.00 0.45 C ATOM 1032 C THR A 187 -10.474 -7.263 1.058 1.00 0.54 C ATOM 1033 O THR A 187 -10.746 -7.583 2.216 1.00 0.83 O ATOM 1034 CB THR A 187 -8.095 -6.795 1.769 1.00 0.57 C ATOM 1035 OG1 THR A 187 -6.818 -6.385 1.260 1.00 1.63 O ATOM 1036 CG2 THR A 187 -7.897 -7.905 2.789 1.00 0.88 C ATOM 0 H THR A 187 -7.955 -5.595 -0.239 1.00 0.38 H new ATOM 0 HA THR A 187 -8.792 -8.204 0.199 1.00 0.45 H new ATOM 0 HB THR A 187 -8.599 -5.980 2.289 1.00 0.57 H new ATOM 0 HG1 THR A 187 -6.549 -5.546 1.689 1.00 1.63 H new ATOM 0 HG21 THR A 187 -7.257 -7.548 3.596 1.00 0.88 H new ATOM 0 HG22 THR A 187 -8.864 -8.201 3.197 1.00 0.88 H new ATOM 0 HG23 THR A 187 -7.428 -8.763 2.307 1.00 0.88 H new ATOM 1044 N VAL A 188 -11.430 -6.996 0.175 1.00 0.41 N ATOM 1045 CA VAL A 188 -12.852 -7.149 0.499 1.00 0.46 C ATOM 1046 C VAL A 188 -13.592 -7.821 -0.659 1.00 0.45 C ATOM 1047 O VAL A 188 -14.824 -7.860 -0.695 1.00 0.57 O ATOM 1048 CB VAL A 188 -13.517 -5.792 0.816 1.00 0.51 C ATOM 1049 CG1 VAL A 188 -12.781 -5.104 1.952 1.00 0.53 C ATOM 1050 CG2 VAL A 188 -13.563 -4.901 -0.418 1.00 0.49 C ATOM 0 H VAL A 188 -11.250 -6.671 -0.775 1.00 0.41 H new ATOM 0 HA VAL A 188 -12.916 -7.775 1.389 1.00 0.46 H new ATOM 0 HB VAL A 188 -14.545 -5.977 1.127 1.00 0.51 H new ATOM 0 HG11 VAL A 188 -13.258 -4.148 2.168 1.00 0.53 H new ATOM 0 HG12 VAL A 188 -12.813 -5.734 2.841 1.00 0.53 H new ATOM 0 HG13 VAL A 188 -11.743 -4.935 1.664 1.00 0.53 H new ATOM 0 HG21 VAL A 188 -14.036 -3.953 -0.164 1.00 0.49 H new ATOM 0 HG22 VAL A 188 -12.549 -4.717 -0.772 1.00 0.49 H new ATOM 0 HG23 VAL A 188 -14.137 -5.395 -1.202 1.00 0.49 H new ATOM 1060 N THR A 189 -12.812 -8.390 -1.571 1.00 0.38 N ATOM 1061 CA THR A 189 -13.294 -8.954 -2.833 1.00 0.41 C ATOM 1062 C THR A 189 -12.101 -9.615 -3.507 1.00 0.34 C ATOM 1063 O THR A 189 -12.164 -10.750 -3.976 1.00 0.35 O ATOM 1064 CB THR A 189 -13.876 -7.883 -3.801 1.00 0.50 C ATOM 1065 OG1 THR A 189 -14.902 -7.109 -3.168 1.00 0.64 O ATOM 1066 CG2 THR A 189 -14.452 -8.538 -5.048 1.00 0.51 C ATOM 0 H THR A 189 -11.802 -8.476 -1.454 1.00 0.38 H new ATOM 0 HA THR A 189 -14.102 -9.652 -2.611 1.00 0.41 H new ATOM 0 HB THR A 189 -13.054 -7.224 -4.080 1.00 0.50 H new ATOM 0 HG1 THR A 189 -15.209 -7.571 -2.360 1.00 0.64 H new ATOM 0 HG21 THR A 189 -14.853 -7.770 -5.710 1.00 0.51 H new ATOM 0 HG22 THR A 189 -13.667 -9.089 -5.565 1.00 0.51 H new ATOM 0 HG23 THR A 189 -15.250 -9.224 -4.763 1.00 0.51 H new ATOM 1074 N THR A 190 -10.999 -8.872 -3.507 1.00 0.32 N ATOM 1075 CA THR A 190 -9.709 -9.364 -3.943 1.00 0.34 C ATOM 1076 C THR A 190 -9.265 -10.536 -3.073 1.00 0.34 C ATOM 1077 O THR A 190 -8.511 -11.406 -3.506 1.00 0.42 O ATOM 1078 CB THR A 190 -8.664 -8.238 -3.900 1.00 0.39 C ATOM 1079 OG1 THR A 190 -8.832 -7.361 -5.022 1.00 0.54 O ATOM 1080 CG2 THR A 190 -7.255 -8.773 -3.863 1.00 0.55 C ATOM 0 H THR A 190 -10.983 -7.900 -3.199 1.00 0.32 H new ATOM 0 HA THR A 190 -9.801 -9.712 -4.972 1.00 0.34 H new ATOM 0 HB THR A 190 -8.825 -7.680 -2.978 1.00 0.39 H new ATOM 0 HG1 THR A 190 -8.288 -7.681 -5.772 1.00 0.54 H new ATOM 0 HG21 THR A 190 -6.551 -7.942 -3.833 1.00 0.55 H new ATOM 0 HG22 THR A 190 -7.124 -9.392 -2.975 1.00 0.55 H new ATOM 0 HG23 THR A 190 -7.070 -9.373 -4.754 1.00 0.55 H new ATOM 1088 N THR A 191 -9.745 -10.559 -1.845 1.00 0.34 N ATOM 1089 CA THR A 191 -9.478 -11.667 -0.965 1.00 0.47 C ATOM 1090 C THR A 191 -10.100 -12.928 -1.520 1.00 0.35 C ATOM 1091 O THR A 191 -9.418 -13.877 -1.891 1.00 0.34 O ATOM 1092 CB THR A 191 -10.084 -11.439 0.417 1.00 0.83 C ATOM 1093 OG1 THR A 191 -9.881 -10.082 0.815 1.00 1.66 O ATOM 1094 CG2 THR A 191 -9.462 -12.379 1.436 1.00 1.23 C ATOM 0 H THR A 191 -10.321 -9.821 -1.439 1.00 0.34 H new ATOM 0 HA THR A 191 -8.395 -11.759 -0.886 1.00 0.47 H new ATOM 0 HB THR A 191 -11.153 -11.644 0.368 1.00 0.83 H new ATOM 0 HG1 THR A 191 -8.926 -9.926 0.970 1.00 1.66 H new ATOM 0 HG21 THR A 191 -9.907 -12.201 2.415 1.00 1.23 H new ATOM 0 HG22 THR A 191 -9.644 -13.411 1.137 1.00 1.23 H new ATOM 0 HG23 THR A 191 -8.388 -12.200 1.488 1.00 1.23 H new ATOM 1102 N THR A 192 -11.411 -12.889 -1.627 1.00 0.46 N ATOM 1103 CA THR A 192 -12.188 -14.080 -1.904 1.00 0.60 C ATOM 1104 C THR A 192 -12.403 -14.302 -3.395 1.00 0.59 C ATOM 1105 O THR A 192 -13.411 -14.871 -3.806 1.00 0.73 O ATOM 1106 CB THR A 192 -13.542 -14.006 -1.183 1.00 0.76 C ATOM 1107 OG1 THR A 192 -14.148 -12.726 -1.417 1.00 0.69 O ATOM 1108 CG2 THR A 192 -13.361 -14.223 0.312 1.00 0.90 C ATOM 0 H THR A 192 -11.965 -12.039 -1.526 1.00 0.46 H new ATOM 0 HA THR A 192 -11.617 -14.930 -1.530 1.00 0.60 H new ATOM 0 HB THR A 192 -14.189 -14.790 -1.575 1.00 0.76 H new ATOM 0 HG1 THR A 192 -15.012 -12.684 -0.957 1.00 0.69 H new ATOM 0 HG21 THR A 192 -14.330 -14.167 0.808 1.00 0.90 H new ATOM 0 HG22 THR A 192 -12.920 -15.204 0.486 1.00 0.90 H new ATOM 0 HG23 THR A 192 -12.703 -13.453 0.714 1.00 0.90 H new ATOM 1116 N LYS A 193 -11.437 -13.890 -4.209 1.00 0.51 N ATOM 1117 CA LYS A 193 -11.516 -14.143 -5.640 1.00 0.58 C ATOM 1118 C LYS A 193 -10.788 -15.432 -5.983 1.00 0.69 C ATOM 1119 O LYS A 193 -10.436 -15.686 -7.135 1.00 0.82 O ATOM 1120 CB LYS A 193 -10.977 -12.957 -6.459 1.00 0.53 C ATOM 1121 CG LYS A 193 -9.631 -12.401 -6.006 1.00 0.45 C ATOM 1122 CD LYS A 193 -8.465 -13.312 -6.348 1.00 0.53 C ATOM 1123 CE LYS A 193 -7.136 -12.673 -5.974 1.00 0.57 C ATOM 1124 NZ LYS A 193 -5.980 -13.481 -6.439 1.00 1.12 N ATOM 0 H LYS A 193 -10.603 -13.387 -3.907 1.00 0.51 H new ATOM 0 HA LYS A 193 -12.566 -14.257 -5.908 1.00 0.58 H new ATOM 0 HB2 LYS A 193 -10.890 -13.267 -7.500 1.00 0.53 H new ATOM 0 HB3 LYS A 193 -11.712 -12.152 -6.427 1.00 0.53 H new ATOM 0 HG2 LYS A 193 -9.472 -11.428 -6.470 1.00 0.45 H new ATOM 0 HG3 LYS A 193 -9.655 -12.240 -4.928 1.00 0.45 H new ATOM 0 HD2 LYS A 193 -8.576 -14.261 -5.822 1.00 0.53 H new ATOM 0 HD3 LYS A 193 -8.476 -13.535 -7.415 1.00 0.53 H new ATOM 0 HE2 LYS A 193 -7.079 -11.675 -6.408 1.00 0.57 H new ATOM 0 HE3 LYS A 193 -7.083 -12.553 -4.892 1.00 0.57 H new ATOM 0 HZ1 LYS A 193 -5.472 -13.865 -5.617 1.00 1.12 H new ATOM 0 HZ2 LYS A 193 -6.320 -14.264 -7.032 1.00 1.12 H new ATOM 0 HZ3 LYS A 193 -5.337 -12.880 -6.994 1.00 1.12 H new ATOM 1138 N GLY A 194 -10.589 -16.248 -4.964 1.00 0.70 N ATOM 1139 CA GLY A 194 -9.864 -17.490 -5.129 1.00 0.81 C ATOM 1140 C GLY A 194 -8.540 -17.416 -4.421 1.00 0.75 C ATOM 1141 O GLY A 194 -7.611 -18.175 -4.706 1.00 0.86 O ATOM 0 H GLY A 194 -10.920 -16.072 -4.015 1.00 0.70 H new ATOM 0 HA2 GLY A 194 -10.451 -18.318 -4.732 1.00 0.81 H new ATOM 0 HA3 GLY A 194 -9.707 -17.690 -6.189 1.00 0.81 H new ATOM 1145 N GLU A 195 -8.464 -16.489 -3.487 1.00 0.63 N ATOM 1146 CA GLU A 195 -7.241 -16.209 -2.777 1.00 0.60 C ATOM 1147 C GLU A 195 -7.498 -16.286 -1.274 1.00 0.59 C ATOM 1148 O GLU A 195 -8.648 -16.263 -0.835 1.00 0.63 O ATOM 1149 CB GLU A 195 -6.745 -14.814 -3.177 1.00 0.64 C ATOM 1150 CG GLU A 195 -5.277 -14.577 -2.895 1.00 0.72 C ATOM 1151 CD GLU A 195 -4.392 -15.445 -3.758 1.00 0.84 C ATOM 1152 OE1 GLU A 195 -4.043 -15.021 -4.876 1.00 1.40 O ATOM 1153 OE2 GLU A 195 -4.025 -16.552 -3.306 1.00 1.29 O ATOM 0 H GLU A 195 -9.253 -15.909 -3.201 1.00 0.63 H new ATOM 0 HA GLU A 195 -6.476 -16.943 -3.032 1.00 0.60 H new ATOM 0 HB2 GLU A 195 -6.928 -14.666 -4.241 1.00 0.64 H new ATOM 0 HB3 GLU A 195 -7.332 -14.065 -2.645 1.00 0.64 H new ATOM 0 HG2 GLU A 195 -5.038 -13.528 -3.069 1.00 0.72 H new ATOM 0 HG3 GLU A 195 -5.071 -14.780 -1.844 1.00 0.72 H new ATOM 1160 N ASN A 196 -6.443 -16.412 -0.489 1.00 0.64 N ATOM 1161 CA ASN A 196 -6.569 -16.369 0.962 1.00 0.69 C ATOM 1162 C ASN A 196 -5.642 -15.316 1.500 1.00 0.63 C ATOM 1163 O ASN A 196 -4.472 -15.284 1.135 1.00 0.80 O ATOM 1164 CB ASN A 196 -6.222 -17.706 1.624 1.00 0.91 C ATOM 1165 CG ASN A 196 -7.053 -18.872 1.118 1.00 1.07 C ATOM 1166 OD1 ASN A 196 -6.569 -20.002 1.050 1.00 1.13 O ATOM 1167 ND2 ASN A 196 -8.305 -18.616 0.769 1.00 1.99 N ATOM 0 H ASN A 196 -5.490 -16.545 -0.828 1.00 0.64 H new ATOM 0 HA ASN A 196 -7.610 -16.143 1.192 1.00 0.69 H new ATOM 0 HB2 ASN A 196 -5.167 -17.922 1.454 1.00 0.91 H new ATOM 0 HB3 ASN A 196 -6.359 -17.614 2.701 1.00 0.91 H new ATOM 0 HD21 ASN A 196 -8.904 -19.369 0.430 1.00 1.99 H new ATOM 0 HD22 ASN A 196 -8.670 -17.666 0.840 1.00 1.99 H new ATOM 1174 N PHE A 197 -6.164 -14.437 2.333 1.00 0.54 N ATOM 1175 CA PHE A 197 -5.322 -13.474 3.004 1.00 0.53 C ATOM 1176 C PHE A 197 -5.275 -13.783 4.474 1.00 0.56 C ATOM 1177 O PHE A 197 -6.285 -13.730 5.178 1.00 0.68 O ATOM 1178 CB PHE A 197 -5.775 -12.039 2.776 1.00 0.52 C ATOM 1179 CG PHE A 197 -5.832 -11.621 1.329 1.00 1.12 C ATOM 1180 CD1 PHE A 197 -5.029 -12.231 0.381 1.00 1.63 C ATOM 1181 CD2 PHE A 197 -6.664 -10.590 0.930 1.00 1.49 C ATOM 1182 CE1 PHE A 197 -5.062 -11.826 -0.937 1.00 2.36 C ATOM 1183 CE2 PHE A 197 -6.702 -10.183 -0.387 1.00 2.19 C ATOM 1184 CZ PHE A 197 -5.900 -10.801 -1.321 1.00 2.61 C ATOM 0 H PHE A 197 -7.157 -14.372 2.558 1.00 0.54 H new ATOM 0 HA PHE A 197 -4.323 -13.557 2.576 1.00 0.53 H new ATOM 0 HB2 PHE A 197 -6.763 -11.910 3.217 1.00 0.52 H new ATOM 0 HB3 PHE A 197 -5.099 -11.370 3.307 1.00 0.52 H new ATOM 0 HD1 PHE A 197 -4.369 -13.033 0.677 1.00 1.63 H new ATOM 0 HD2 PHE A 197 -7.291 -10.098 1.659 1.00 1.49 H new ATOM 0 HE1 PHE A 197 -4.432 -12.311 -1.668 1.00 2.36 H new ATOM 0 HE2 PHE A 197 -7.360 -9.380 -0.686 1.00 2.19 H new ATOM 0 HZ PHE A 197 -5.928 -10.483 -2.353 1.00 2.61 H new ATOM 1194 N THR A 198 -4.095 -14.123 4.916 1.00 0.55 N ATOM 1195 CA THR A 198 -3.874 -14.518 6.271 1.00 0.60 C ATOM 1196 C THR A 198 -3.234 -13.383 7.063 1.00 0.52 C ATOM 1197 O THR A 198 -2.941 -12.348 6.504 1.00 0.43 O ATOM 1198 CB THR A 198 -3.029 -15.808 6.343 1.00 0.74 C ATOM 1199 OG1 THR A 198 -3.004 -16.316 7.684 1.00 1.12 O ATOM 1200 CG2 THR A 198 -1.605 -15.562 5.867 1.00 0.78 C ATOM 0 H THR A 198 -3.256 -14.132 4.337 1.00 0.55 H new ATOM 0 HA THR A 198 -4.840 -14.738 6.726 1.00 0.60 H new ATOM 0 HB THR A 198 -3.493 -16.543 5.685 1.00 0.74 H new ATOM 0 HG1 THR A 198 -2.466 -17.135 7.714 1.00 1.12 H new ATOM 0 HG21 THR A 198 -1.035 -16.489 5.930 1.00 0.78 H new ATOM 0 HG22 THR A 198 -1.622 -15.215 4.834 1.00 0.78 H new ATOM 0 HG23 THR A 198 -1.137 -14.805 6.496 1.00 0.78 H new ATOM 1208 N GLU A 199 -3.150 -13.549 8.376 1.00 0.59 N ATOM 1209 CA GLU A 199 -2.451 -12.615 9.280 1.00 0.63 C ATOM 1210 C GLU A 199 -1.219 -12.008 8.624 1.00 0.55 C ATOM 1211 O GLU A 199 -1.013 -10.789 8.654 1.00 0.53 O ATOM 1212 CB GLU A 199 -2.055 -13.341 10.579 1.00 0.82 C ATOM 1213 CG GLU A 199 -0.994 -12.625 11.421 1.00 1.14 C ATOM 1214 CD GLU A 199 0.432 -13.059 11.091 1.00 2.11 C ATOM 1215 OE1 GLU A 199 0.806 -14.188 11.462 1.00 2.55 O ATOM 1216 OE2 GLU A 199 1.179 -12.272 10.458 1.00 2.91 O ATOM 0 H GLU A 199 -3.568 -14.344 8.860 1.00 0.59 H new ATOM 0 HA GLU A 199 -3.136 -11.800 9.511 1.00 0.63 H new ATOM 0 HB2 GLU A 199 -2.949 -13.479 11.188 1.00 0.82 H new ATOM 0 HB3 GLU A 199 -1.686 -14.335 10.325 1.00 0.82 H new ATOM 0 HG2 GLU A 199 -1.084 -11.550 11.268 1.00 1.14 H new ATOM 0 HG3 GLU A 199 -1.189 -12.814 12.477 1.00 1.14 H new ATOM 1223 N THR A 200 -0.410 -12.855 8.022 1.00 0.56 N ATOM 1224 CA THR A 200 0.757 -12.390 7.320 1.00 0.57 C ATOM 1225 C THR A 200 0.352 -11.500 6.157 1.00 0.44 C ATOM 1226 O THR A 200 0.963 -10.462 5.930 1.00 0.44 O ATOM 1227 CB THR A 200 1.597 -13.562 6.814 1.00 0.73 C ATOM 1228 OG1 THR A 200 2.042 -14.334 7.934 1.00 0.92 O ATOM 1229 CG2 THR A 200 2.788 -13.061 6.016 1.00 0.99 C ATOM 0 H THR A 200 -0.543 -13.866 8.007 1.00 0.56 H new ATOM 0 HA THR A 200 1.362 -11.812 8.018 1.00 0.57 H new ATOM 0 HB THR A 200 0.988 -14.184 6.158 1.00 0.73 H new ATOM 0 HG1 THR A 200 2.581 -15.089 7.618 1.00 0.92 H new ATOM 0 HG21 THR A 200 3.374 -13.910 5.664 1.00 0.99 H new ATOM 0 HG22 THR A 200 2.436 -12.484 5.161 1.00 0.99 H new ATOM 0 HG23 THR A 200 3.410 -12.429 6.649 1.00 0.99 H new ATOM 1237 N ASP A 201 -0.717 -11.891 5.475 1.00 0.41 N ATOM 1238 CA ASP A 201 -1.193 -11.187 4.294 1.00 0.36 C ATOM 1239 C ASP A 201 -1.650 -9.791 4.608 1.00 0.31 C ATOM 1240 O ASP A 201 -1.505 -8.871 3.805 1.00 0.34 O ATOM 1241 CB ASP A 201 -2.262 -11.968 3.561 1.00 0.45 C ATOM 1242 CG ASP A 201 -1.720 -13.297 3.099 1.00 0.92 C ATOM 1243 OD1 ASP A 201 -0.496 -13.476 3.089 1.00 1.27 O ATOM 1244 OD2 ASP A 201 -2.529 -14.170 2.744 1.00 1.49 O ATOM 0 H ASP A 201 -1.278 -12.705 5.726 1.00 0.41 H new ATOM 0 HA ASP A 201 -0.338 -11.099 3.623 1.00 0.36 H new ATOM 0 HB2 ASP A 201 -3.119 -12.126 4.216 1.00 0.45 H new ATOM 0 HB3 ASP A 201 -2.616 -11.395 2.704 1.00 0.45 H new ATOM 1249 N ILE A 202 -2.174 -9.639 5.784 1.00 0.30 N ATOM 1250 CA ILE A 202 -2.580 -8.350 6.278 1.00 0.32 C ATOM 1251 C ILE A 202 -1.382 -7.440 6.377 1.00 0.31 C ATOM 1252 O ILE A 202 -1.311 -6.383 5.759 1.00 0.34 O ATOM 1253 CB ILE A 202 -3.140 -8.488 7.684 1.00 0.41 C ATOM 1254 CG1 ILE A 202 -3.709 -9.875 7.863 1.00 0.48 C ATOM 1255 CG2 ILE A 202 -4.177 -7.425 7.964 1.00 0.54 C ATOM 1256 CD1 ILE A 202 -5.005 -10.129 7.108 1.00 0.53 C ATOM 0 H ILE A 202 -2.335 -10.407 6.436 1.00 0.30 H new ATOM 0 HA ILE A 202 -3.327 -7.946 5.595 1.00 0.32 H new ATOM 0 HB ILE A 202 -2.335 -8.344 8.404 1.00 0.41 H new ATOM 0 HG12 ILE A 202 -2.966 -10.603 7.538 1.00 0.48 H new ATOM 0 HG13 ILE A 202 -3.882 -10.048 8.925 1.00 0.48 H new ATOM 0 HG21 ILE A 202 -4.560 -7.548 8.977 1.00 0.54 H new ATOM 0 HG22 ILE A 202 -3.723 -6.439 7.865 1.00 0.54 H new ATOM 0 HG23 ILE A 202 -4.997 -7.520 7.252 1.00 0.54 H new ATOM 0 HD11 ILE A 202 -5.341 -11.149 7.294 1.00 0.53 H new ATOM 0 HD12 ILE A 202 -5.768 -9.428 7.448 1.00 0.53 H new ATOM 0 HD13 ILE A 202 -4.837 -9.992 6.040 1.00 0.53 H new ATOM 1268 N LYS A 203 -0.418 -7.908 7.139 1.00 0.32 N ATOM 1269 CA LYS A 203 0.699 -7.095 7.538 1.00 0.35 C ATOM 1270 C LYS A 203 1.617 -6.814 6.381 1.00 0.30 C ATOM 1271 O LYS A 203 2.000 -5.685 6.207 1.00 0.31 O ATOM 1272 CB LYS A 203 1.421 -7.752 8.711 1.00 0.44 C ATOM 1273 CG LYS A 203 1.940 -9.144 8.427 1.00 0.49 C ATOM 1274 CD LYS A 203 3.444 -9.239 8.606 1.00 0.61 C ATOM 1275 CE LYS A 203 3.963 -10.629 8.276 1.00 0.77 C ATOM 1276 NZ LYS A 203 3.620 -11.636 9.324 1.00 1.14 N ATOM 0 H LYS A 203 -0.391 -8.863 7.497 1.00 0.32 H new ATOM 0 HA LYS A 203 0.331 -6.125 7.872 1.00 0.35 H new ATOM 0 HB2 LYS A 203 2.258 -7.119 9.007 1.00 0.44 H new ATOM 0 HB3 LYS A 203 0.740 -7.798 9.561 1.00 0.44 H new ATOM 0 HG2 LYS A 203 1.450 -9.856 9.092 1.00 0.49 H new ATOM 0 HG3 LYS A 203 1.678 -9.427 7.408 1.00 0.49 H new ATOM 0 HD2 LYS A 203 3.934 -8.506 7.965 1.00 0.61 H new ATOM 0 HD3 LYS A 203 3.705 -8.988 9.634 1.00 0.61 H new ATOM 0 HE2 LYS A 203 3.548 -10.950 7.320 1.00 0.77 H new ATOM 0 HE3 LYS A 203 5.046 -10.589 8.157 1.00 0.77 H new ATOM 0 HZ1 LYS A 203 3.983 -12.569 9.041 1.00 1.14 H new ATOM 0 HZ2 LYS A 203 4.051 -11.357 10.228 1.00 1.14 H new ATOM 0 HZ3 LYS A 203 2.587 -11.685 9.434 1.00 1.14 H new ATOM 1290 N ILE A 204 1.949 -7.802 5.564 1.00 0.29 N ATOM 1291 CA ILE A 204 2.722 -7.524 4.371 1.00 0.28 C ATOM 1292 C ILE A 204 2.046 -6.451 3.536 1.00 0.24 C ATOM 1293 O ILE A 204 2.682 -5.520 3.095 1.00 0.27 O ATOM 1294 CB ILE A 204 2.880 -8.768 3.513 1.00 0.28 C ATOM 1295 CG1 ILE A 204 1.525 -9.418 3.404 1.00 0.26 C ATOM 1296 CG2 ILE A 204 3.909 -9.717 4.109 1.00 0.38 C ATOM 1297 CD1 ILE A 204 1.485 -10.632 2.534 1.00 0.28 C ATOM 0 H ILE A 204 1.700 -8.781 5.703 1.00 0.29 H new ATOM 0 HA ILE A 204 3.704 -7.183 4.698 1.00 0.28 H new ATOM 0 HB ILE A 204 3.247 -8.503 2.521 1.00 0.28 H new ATOM 0 HG12 ILE A 204 1.187 -9.692 4.403 1.00 0.26 H new ATOM 0 HG13 ILE A 204 0.816 -8.686 3.017 1.00 0.26 H new ATOM 0 HG21 ILE A 204 4.002 -10.598 3.474 1.00 0.38 H new ATOM 0 HG22 ILE A 204 4.874 -9.214 4.174 1.00 0.38 H new ATOM 0 HG23 ILE A 204 3.590 -10.020 5.106 1.00 0.38 H new ATOM 0 HD11 ILE A 204 0.471 -11.033 2.515 1.00 0.28 H new ATOM 0 HD12 ILE A 204 1.789 -10.365 1.522 1.00 0.28 H new ATOM 0 HD13 ILE A 204 2.166 -11.386 2.930 1.00 0.28 H new ATOM 1309 N MET A 205 0.749 -6.567 3.347 1.00 0.21 N ATOM 1310 CA MET A 205 0.039 -5.620 2.520 1.00 0.23 C ATOM 1311 C MET A 205 0.011 -4.239 3.140 1.00 0.22 C ATOM 1312 O MET A 205 0.558 -3.296 2.567 1.00 0.22 O ATOM 1313 CB MET A 205 -1.367 -6.085 2.277 1.00 0.29 C ATOM 1314 CG MET A 205 -2.316 -4.950 1.946 1.00 0.29 C ATOM 1315 SD MET A 205 -4.019 -5.344 2.360 1.00 0.41 S ATOM 1316 CE MET A 205 -3.762 -6.179 3.920 1.00 0.35 C ATOM 0 H MET A 205 0.170 -7.302 3.752 1.00 0.21 H new ATOM 0 HA MET A 205 0.574 -5.558 1.573 1.00 0.23 H new ATOM 0 HB2 MET A 205 -1.370 -6.804 1.458 1.00 0.29 H new ATOM 0 HB3 MET A 205 -1.729 -6.608 3.162 1.00 0.29 H new ATOM 0 HG2 MET A 205 -2.011 -4.054 2.487 1.00 0.29 H new ATOM 0 HG3 MET A 205 -2.247 -4.719 0.883 1.00 0.29 H new ATOM 0 HE1 MET A 205 -4.696 -6.196 4.482 1.00 0.35 H new ATOM 0 HE2 MET A 205 -3.431 -7.201 3.735 1.00 0.35 H new ATOM 0 HE3 MET A 205 -3.002 -5.650 4.495 1.00 0.35 H new ATOM 1326 N GLU A 206 -0.629 -4.127 4.304 1.00 0.23 N ATOM 1327 CA GLU A 206 -0.803 -2.840 4.952 1.00 0.25 C ATOM 1328 C GLU A 206 0.538 -2.183 5.112 1.00 0.24 C ATOM 1329 O GLU A 206 0.689 -1.003 4.859 1.00 0.26 O ATOM 1330 CB GLU A 206 -1.447 -2.990 6.330 1.00 0.29 C ATOM 1331 CG GLU A 206 -2.727 -3.800 6.342 1.00 0.37 C ATOM 1332 CD GLU A 206 -3.460 -3.672 7.661 1.00 0.57 C ATOM 1333 OE1 GLU A 206 -4.191 -2.680 7.862 1.00 1.00 O ATOM 1334 OE2 GLU A 206 -3.317 -4.575 8.510 1.00 1.25 O ATOM 0 H GLU A 206 -1.033 -4.914 4.812 1.00 0.23 H new ATOM 0 HA GLU A 206 -1.459 -2.233 4.329 1.00 0.25 H new ATOM 0 HB2 GLU A 206 -0.729 -3.459 7.003 1.00 0.29 H new ATOM 0 HB3 GLU A 206 -1.657 -1.997 6.729 1.00 0.29 H new ATOM 0 HG2 GLU A 206 -3.376 -3.467 5.532 1.00 0.37 H new ATOM 0 HG3 GLU A 206 -2.496 -4.849 6.155 1.00 0.37 H new ATOM 1341 N ARG A 207 1.512 -2.981 5.493 1.00 0.24 N ATOM 1342 CA ARG A 207 2.852 -2.498 5.703 1.00 0.25 C ATOM 1343 C ARG A 207 3.419 -1.893 4.423 1.00 0.26 C ATOM 1344 O ARG A 207 3.939 -0.788 4.455 1.00 0.35 O ATOM 1345 CB ARG A 207 3.742 -3.639 6.190 1.00 0.25 C ATOM 1346 CG ARG A 207 4.499 -4.317 5.062 1.00 0.25 C ATOM 1347 CD ARG A 207 5.302 -5.475 5.553 1.00 0.32 C ATOM 1348 NE ARG A 207 6.278 -5.086 6.569 1.00 0.47 N ATOM 1349 CZ ARG A 207 6.469 -5.746 7.709 1.00 0.69 C ATOM 1350 NH1 ARG A 207 5.680 -6.766 8.023 1.00 0.87 N ATOM 1351 NH2 ARG A 207 7.430 -5.375 8.545 1.00 0.89 N ATOM 0 H ARG A 207 1.394 -3.980 5.664 1.00 0.24 H new ATOM 0 HA ARG A 207 2.825 -1.716 6.462 1.00 0.25 H new ATOM 0 HB2 ARG A 207 4.454 -3.252 6.919 1.00 0.25 H new ATOM 0 HB3 ARG A 207 3.128 -4.378 6.705 1.00 0.25 H new ATOM 0 HG2 ARG A 207 3.794 -4.659 4.304 1.00 0.25 H new ATOM 0 HG3 ARG A 207 5.159 -3.595 4.581 1.00 0.25 H new ATOM 0 HD2 ARG A 207 4.632 -6.229 5.967 1.00 0.32 H new ATOM 0 HD3 ARG A 207 5.821 -5.936 4.713 1.00 0.32 H new ATOM 0 HE ARG A 207 6.848 -4.258 6.394 1.00 0.47 H new ATOM 0 HH11 ARG A 207 4.929 -7.043 7.391 1.00 0.87 H new ATOM 0 HH12 ARG A 207 5.825 -7.273 8.896 1.00 0.87 H new ATOM 0 HH21 ARG A 207 8.027 -4.580 8.316 1.00 0.89 H new ATOM 0 HH22 ARG A 207 7.572 -5.884 9.417 1.00 0.89 H new ATOM 1365 N VAL A 208 3.291 -2.594 3.286 1.00 0.23 N ATOM 1366 CA VAL A 208 3.931 -2.154 2.081 1.00 0.23 C ATOM 1367 C VAL A 208 3.229 -0.939 1.585 1.00 0.25 C ATOM 1368 O VAL A 208 3.845 0.099 1.384 1.00 0.34 O ATOM 1369 CB VAL A 208 3.936 -3.215 0.958 1.00 0.22 C ATOM 1370 CG1 VAL A 208 4.671 -2.670 -0.233 1.00 0.28 C ATOM 1371 CG2 VAL A 208 4.584 -4.504 1.410 1.00 0.22 C ATOM 0 H VAL A 208 2.752 -3.455 3.196 1.00 0.23 H new ATOM 0 HA VAL A 208 4.973 -1.952 2.331 1.00 0.23 H new ATOM 0 HB VAL A 208 2.902 -3.438 0.695 1.00 0.22 H new ATOM 0 HG11 VAL A 208 4.678 -3.415 -1.029 1.00 0.28 H new ATOM 0 HG12 VAL A 208 4.173 -1.767 -0.586 1.00 0.28 H new ATOM 0 HG13 VAL A 208 5.696 -2.432 0.050 1.00 0.28 H new ATOM 0 HG21 VAL A 208 4.568 -5.225 0.593 1.00 0.22 H new ATOM 0 HG22 VAL A 208 5.616 -4.309 1.703 1.00 0.22 H new ATOM 0 HG23 VAL A 208 4.036 -4.908 2.261 1.00 0.22 H new ATOM 1381 N VAL A 209 1.924 -1.066 1.451 1.00 0.22 N ATOM 1382 CA VAL A 209 1.122 -0.002 0.918 1.00 0.25 C ATOM 1383 C VAL A 209 1.233 1.232 1.809 1.00 0.27 C ATOM 1384 O VAL A 209 1.257 2.350 1.326 1.00 0.32 O ATOM 1385 CB VAL A 209 -0.350 -0.415 0.760 1.00 0.31 C ATOM 1386 CG1 VAL A 209 -0.502 -1.682 -0.044 1.00 1.11 C ATOM 1387 CG2 VAL A 209 -1.022 -0.544 2.086 1.00 1.19 C ATOM 0 H VAL A 209 1.401 -1.903 1.708 1.00 0.22 H new ATOM 0 HA VAL A 209 1.502 0.233 -0.076 1.00 0.25 H new ATOM 0 HB VAL A 209 -0.843 0.383 0.204 1.00 0.31 H new ATOM 0 HG11 VAL A 209 -1.559 -1.934 -0.129 1.00 1.11 H new ATOM 0 HG12 VAL A 209 -0.083 -1.534 -1.039 1.00 1.11 H new ATOM 0 HG13 VAL A 209 0.026 -2.495 0.455 1.00 1.11 H new ATOM 0 HG21 VAL A 209 -2.062 -0.837 1.940 1.00 1.19 H new ATOM 0 HG22 VAL A 209 -0.511 -1.302 2.680 1.00 1.19 H new ATOM 0 HG23 VAL A 209 -0.985 0.412 2.607 1.00 1.19 H new ATOM 1397 N GLU A 210 1.316 1.018 3.114 1.00 0.26 N ATOM 1398 CA GLU A 210 1.493 2.115 4.055 1.00 0.29 C ATOM 1399 C GLU A 210 2.832 2.797 3.866 1.00 0.29 C ATOM 1400 O GLU A 210 2.904 4.016 3.809 1.00 0.33 O ATOM 1401 CB GLU A 210 1.331 1.627 5.500 1.00 0.31 C ATOM 1402 CG GLU A 210 2.614 1.524 6.318 1.00 0.32 C ATOM 1403 CD GLU A 210 2.378 1.801 7.786 1.00 0.70 C ATOM 1404 OE1 GLU A 210 1.786 0.946 8.472 1.00 1.19 O ATOM 1405 OE2 GLU A 210 2.776 2.883 8.260 1.00 1.12 O ATOM 0 H GLU A 210 1.264 0.095 3.546 1.00 0.26 H new ATOM 0 HA GLU A 210 0.715 2.851 3.852 1.00 0.29 H new ATOM 0 HB2 GLU A 210 0.648 2.301 6.016 1.00 0.31 H new ATOM 0 HB3 GLU A 210 0.856 0.646 5.480 1.00 0.31 H new ATOM 0 HG2 GLU A 210 3.038 0.527 6.202 1.00 0.32 H new ATOM 0 HG3 GLU A 210 3.348 2.230 5.930 1.00 0.32 H new ATOM 1412 N GLN A 211 3.893 2.033 3.719 1.00 0.27 N ATOM 1413 CA GLN A 211 5.200 2.639 3.733 1.00 0.31 C ATOM 1414 C GLN A 211 5.543 3.182 2.352 1.00 0.31 C ATOM 1415 O GLN A 211 6.448 4.000 2.197 1.00 0.34 O ATOM 1416 CB GLN A 211 6.278 1.676 4.243 1.00 0.34 C ATOM 1417 CG GLN A 211 6.353 0.343 3.513 1.00 0.39 C ATOM 1418 CD GLN A 211 7.675 -0.351 3.745 1.00 0.97 C ATOM 1419 OE1 GLN A 211 7.809 -1.155 4.664 1.00 1.55 O ATOM 1420 NE2 GLN A 211 8.675 -0.026 2.945 1.00 1.56 N ATOM 0 H GLN A 211 3.877 1.021 3.592 1.00 0.27 H new ATOM 0 HA GLN A 211 5.174 3.472 4.435 1.00 0.31 H new ATOM 0 HB2 GLN A 211 7.248 2.168 4.168 1.00 0.34 H new ATOM 0 HB3 GLN A 211 6.100 1.483 5.301 1.00 0.34 H new ATOM 0 HG2 GLN A 211 5.541 -0.301 3.849 1.00 0.39 H new ATOM 0 HG3 GLN A 211 6.210 0.505 2.445 1.00 0.39 H new ATOM 0 HE21 GLN A 211 8.528 0.646 2.192 1.00 1.56 H new ATOM 0 HE22 GLN A 211 9.594 -0.447 3.081 1.00 1.56 H new ATOM 1429 N MET A 212 4.804 2.734 1.348 1.00 0.30 N ATOM 1430 CA MET A 212 4.928 3.303 0.020 1.00 0.31 C ATOM 1431 C MET A 212 3.945 4.426 -0.169 1.00 0.30 C ATOM 1432 O MET A 212 4.167 5.300 -0.979 1.00 0.33 O ATOM 1433 CB MET A 212 4.760 2.262 -1.062 1.00 0.34 C ATOM 1434 CG MET A 212 3.464 1.494 -1.002 1.00 1.17 C ATOM 1435 SD MET A 212 2.003 2.413 -1.510 1.00 1.65 S ATOM 1436 CE MET A 212 2.499 2.877 -3.144 1.00 0.37 C ATOM 0 H MET A 212 4.118 1.984 1.429 1.00 0.30 H new ATOM 0 HA MET A 212 5.939 3.701 -0.068 1.00 0.31 H new ATOM 0 HB2 MET A 212 4.831 2.752 -2.033 1.00 0.34 H new ATOM 0 HB3 MET A 212 5.588 1.556 -1.000 1.00 0.34 H new ATOM 0 HG2 MET A 212 3.555 0.610 -1.633 1.00 1.17 H new ATOM 0 HG3 MET A 212 3.316 1.143 0.019 1.00 1.17 H new ATOM 0 HE1 MET A 212 2.005 3.808 -3.424 1.00 0.37 H new ATOM 0 HE2 MET A 212 3.580 3.017 -3.170 1.00 0.37 H new ATOM 0 HE3 MET A 212 2.218 2.092 -3.846 1.00 0.37 H new ATOM 1446 N CYS A 213 2.852 4.393 0.568 1.00 0.28 N ATOM 1447 CA CYS A 213 1.966 5.532 0.628 1.00 0.27 C ATOM 1448 C CYS A 213 2.743 6.654 1.282 1.00 0.25 C ATOM 1449 O CYS A 213 2.657 7.813 0.896 1.00 0.25 O ATOM 1450 CB CYS A 213 0.722 5.195 1.440 1.00 0.36 C ATOM 1451 SG CYS A 213 -0.680 6.331 1.215 1.00 0.42 S ATOM 0 H CYS A 213 2.560 3.593 1.130 1.00 0.28 H new ATOM 0 HA CYS A 213 1.631 5.822 -0.368 1.00 0.27 H new ATOM 0 HB2 CYS A 213 0.398 4.188 1.178 1.00 0.36 H new ATOM 0 HB3 CYS A 213 0.990 5.179 2.496 1.00 0.36 H new ATOM 1456 N ILE A 214 3.526 6.255 2.275 1.00 0.25 N ATOM 1457 CA ILE A 214 4.478 7.120 2.939 1.00 0.27 C ATOM 1458 C ILE A 214 5.537 7.624 1.951 1.00 0.27 C ATOM 1459 O ILE A 214 5.862 8.812 1.920 1.00 0.29 O ATOM 1460 CB ILE A 214 5.149 6.352 4.097 1.00 0.30 C ATOM 1461 CG1 ILE A 214 4.395 6.574 5.411 1.00 0.33 C ATOM 1462 CG2 ILE A 214 6.597 6.753 4.236 1.00 0.31 C ATOM 1463 CD1 ILE A 214 4.958 5.791 6.578 1.00 0.36 C ATOM 0 H ILE A 214 3.513 5.304 2.644 1.00 0.25 H new ATOM 0 HA ILE A 214 3.950 7.986 3.337 1.00 0.27 H new ATOM 0 HB ILE A 214 5.111 5.288 3.863 1.00 0.30 H new ATOM 0 HG12 ILE A 214 4.414 7.636 5.655 1.00 0.33 H new ATOM 0 HG13 ILE A 214 3.350 6.298 5.271 1.00 0.33 H new ATOM 0 HG21 ILE A 214 7.051 6.199 5.058 1.00 0.31 H new ATOM 0 HG22 ILE A 214 7.127 6.528 3.311 1.00 0.31 H new ATOM 0 HG23 ILE A 214 6.661 7.822 4.440 1.00 0.31 H new ATOM 0 HD11 ILE A 214 4.372 6.000 7.473 1.00 0.36 H new ATOM 0 HD12 ILE A 214 4.914 4.725 6.356 1.00 0.36 H new ATOM 0 HD13 ILE A 214 5.994 6.084 6.746 1.00 0.36 H new ATOM 1475 N THR A 215 6.073 6.717 1.149 1.00 0.28 N ATOM 1476 CA THR A 215 7.035 7.084 0.129 1.00 0.30 C ATOM 1477 C THR A 215 6.356 7.958 -0.920 1.00 0.30 C ATOM 1478 O THR A 215 6.931 8.920 -1.425 1.00 0.34 O ATOM 1479 CB THR A 215 7.657 5.834 -0.528 1.00 0.34 C ATOM 1480 OG1 THR A 215 8.319 5.041 0.469 1.00 0.37 O ATOM 1481 CG2 THR A 215 8.653 6.219 -1.610 1.00 0.39 C ATOM 0 H THR A 215 5.856 5.721 1.187 1.00 0.28 H new ATOM 0 HA THR A 215 7.843 7.645 0.598 1.00 0.30 H new ATOM 0 HB THR A 215 6.854 5.258 -0.988 1.00 0.34 H new ATOM 0 HG1 THR A 215 7.671 4.763 1.149 1.00 0.37 H new ATOM 0 HG21 THR A 215 9.074 5.317 -2.054 1.00 0.39 H new ATOM 0 HG22 THR A 215 8.147 6.801 -2.380 1.00 0.39 H new ATOM 0 HG23 THR A 215 9.453 6.816 -1.172 1.00 0.39 H new ATOM 1489 N GLN A 216 5.119 7.626 -1.233 1.00 0.30 N ATOM 1490 CA GLN A 216 4.315 8.460 -2.100 1.00 0.32 C ATOM 1491 C GLN A 216 3.808 9.716 -1.393 1.00 0.30 C ATOM 1492 O GLN A 216 3.195 10.569 -2.019 1.00 0.45 O ATOM 1493 CB GLN A 216 3.164 7.653 -2.699 1.00 0.44 C ATOM 1494 CG GLN A 216 3.498 7.004 -4.040 1.00 1.08 C ATOM 1495 CD GLN A 216 4.748 6.138 -4.009 1.00 1.76 C ATOM 1496 OE1 GLN A 216 4.689 4.942 -3.734 1.00 2.17 O ATOM 1497 NE2 GLN A 216 5.891 6.734 -4.309 1.00 2.60 N ATOM 0 H GLN A 216 4.650 6.784 -0.899 1.00 0.30 H new ATOM 0 HA GLN A 216 4.957 8.802 -2.912 1.00 0.32 H new ATOM 0 HB2 GLN A 216 2.872 6.876 -1.993 1.00 0.44 H new ATOM 0 HB3 GLN A 216 2.302 8.308 -2.828 1.00 0.44 H new ATOM 0 HG2 GLN A 216 2.653 6.394 -4.358 1.00 1.08 H new ATOM 0 HG3 GLN A 216 3.627 7.785 -4.789 1.00 1.08 H new ATOM 0 HE21 GLN A 216 5.904 7.729 -4.533 1.00 2.60 H new ATOM 0 HE22 GLN A 216 6.759 6.198 -4.317 1.00 2.60 H new ATOM 1506 N TYR A 217 4.073 9.842 -0.098 1.00 0.27 N ATOM 1507 CA TYR A 217 3.784 11.081 0.614 1.00 0.29 C ATOM 1508 C TYR A 217 4.852 12.106 0.288 1.00 0.30 C ATOM 1509 O TYR A 217 4.546 13.261 0.046 1.00 0.31 O ATOM 1510 CB TYR A 217 3.709 10.869 2.134 1.00 0.37 C ATOM 1511 CG TYR A 217 3.454 12.148 2.909 1.00 0.56 C ATOM 1512 CD1 TYR A 217 2.161 12.603 3.128 1.00 1.06 C ATOM 1513 CD2 TYR A 217 4.509 12.904 3.412 1.00 0.80 C ATOM 1514 CE1 TYR A 217 1.923 13.775 3.822 1.00 1.26 C ATOM 1515 CE2 TYR A 217 4.278 14.073 4.110 1.00 0.95 C ATOM 1516 CZ TYR A 217 2.983 14.506 4.311 1.00 1.04 C ATOM 1517 OH TYR A 217 2.750 15.677 4.996 1.00 1.26 O ATOM 0 H TYR A 217 4.485 9.107 0.477 1.00 0.27 H new ATOM 0 HA TYR A 217 2.807 11.437 0.287 1.00 0.29 H new ATOM 0 HB2 TYR A 217 2.916 10.155 2.355 1.00 0.37 H new ATOM 0 HB3 TYR A 217 4.643 10.425 2.478 1.00 0.37 H new ATOM 0 HD1 TYR A 217 1.326 12.032 2.750 1.00 1.06 H new ATOM 0 HD2 TYR A 217 5.524 12.571 3.254 1.00 0.80 H new ATOM 0 HE1 TYR A 217 0.910 14.116 3.980 1.00 1.26 H new ATOM 0 HE2 TYR A 217 5.107 14.646 4.497 1.00 0.95 H new ATOM 0 HH TYR A 217 2.729 16.426 4.365 1.00 1.26 H new ATOM 1527 N GLN A 218 6.107 11.676 0.277 1.00 0.33 N ATOM 1528 CA GLN A 218 7.197 12.563 -0.120 1.00 0.42 C ATOM 1529 C GLN A 218 7.179 12.757 -1.634 1.00 0.46 C ATOM 1530 O GLN A 218 7.489 13.837 -2.135 1.00 0.58 O ATOM 1531 CB GLN A 218 8.558 12.038 0.363 1.00 0.47 C ATOM 1532 CG GLN A 218 8.843 10.597 -0.022 1.00 0.63 C ATOM 1533 CD GLN A 218 10.219 10.130 0.404 1.00 1.23 C ATOM 1534 OE1 GLN A 218 11.189 10.270 -0.337 1.00 1.83 O ATOM 1535 NE2 GLN A 218 10.315 9.566 1.599 1.00 1.97 N ATOM 0 H GLN A 218 6.395 10.732 0.534 1.00 0.33 H new ATOM 0 HA GLN A 218 7.047 13.531 0.358 1.00 0.42 H new ATOM 0 HB2 GLN A 218 9.345 12.673 -0.044 1.00 0.47 H new ATOM 0 HB3 GLN A 218 8.605 12.128 1.448 1.00 0.47 H new ATOM 0 HG2 GLN A 218 8.090 9.951 0.430 1.00 0.63 H new ATOM 0 HG3 GLN A 218 8.748 10.490 -1.103 1.00 0.63 H new ATOM 0 HE21 GLN A 218 9.486 9.468 2.185 1.00 1.97 H new ATOM 0 HE22 GLN A 218 11.218 9.230 1.933 1.00 1.97 H new ATOM 1544 N GLN A 219 6.797 11.705 -2.352 1.00 0.42 N ATOM 1545 CA GLN A 219 6.530 11.800 -3.780 1.00 0.53 C ATOM 1546 C GLN A 219 5.493 12.880 -4.042 1.00 0.51 C ATOM 1547 O GLN A 219 5.727 13.797 -4.818 1.00 0.58 O ATOM 1548 CB GLN A 219 6.002 10.470 -4.309 1.00 0.60 C ATOM 1549 CG GLN A 219 5.567 10.518 -5.766 1.00 0.78 C ATOM 1550 CD GLN A 219 6.735 10.507 -6.731 1.00 0.98 C ATOM 1551 OE1 GLN A 219 7.196 9.446 -7.149 1.00 1.58 O ATOM 1552 NE2 GLN A 219 7.218 11.684 -7.095 1.00 1.70 N ATOM 0 H GLN A 219 6.665 10.771 -1.963 1.00 0.42 H new ATOM 0 HA GLN A 219 7.461 12.050 -4.289 1.00 0.53 H new ATOM 0 HB2 GLN A 219 6.776 9.711 -4.196 1.00 0.60 H new ATOM 0 HB3 GLN A 219 5.156 10.156 -3.697 1.00 0.60 H new ATOM 0 HG2 GLN A 219 4.921 9.665 -5.975 1.00 0.78 H new ATOM 0 HG3 GLN A 219 4.973 11.416 -5.933 1.00 0.78 H new ATOM 0 HE21 GLN A 219 6.806 12.541 -6.725 1.00 1.70 H new ATOM 0 HE22 GLN A 219 8.002 11.734 -7.746 1.00 1.70 H new ATOM 1561 N GLU A 220 4.351 12.755 -3.378 1.00 0.45 N ATOM 1562 CA GLU A 220 3.250 13.689 -3.541 1.00 0.46 C ATOM 1563 C GLU A 220 3.582 15.046 -2.934 1.00 0.46 C ATOM 1564 O GLU A 220 3.122 16.075 -3.414 1.00 0.49 O ATOM 1565 CB GLU A 220 1.989 13.113 -2.908 1.00 0.45 C ATOM 1566 CG GLU A 220 0.944 12.686 -3.924 1.00 0.75 C ATOM 1567 CD GLU A 220 0.508 13.828 -4.825 1.00 1.21 C ATOM 1568 OE1 GLU A 220 0.258 14.941 -4.309 1.00 1.62 O ATOM 1569 OE2 GLU A 220 0.416 13.624 -6.054 1.00 1.74 O ATOM 0 H GLU A 220 4.164 12.004 -2.713 1.00 0.45 H new ATOM 0 HA GLU A 220 3.079 13.839 -4.607 1.00 0.46 H new ATOM 0 HB2 GLU A 220 2.260 12.254 -2.294 1.00 0.45 H new ATOM 0 HB3 GLU A 220 1.554 13.857 -2.241 1.00 0.45 H new ATOM 0 HG2 GLU A 220 1.345 11.878 -4.536 1.00 0.75 H new ATOM 0 HG3 GLU A 220 0.075 12.288 -3.401 1.00 0.75 H new ATOM 1576 N SER A 221 4.389 15.040 -1.885 1.00 0.46 N ATOM 1577 CA SER A 221 4.868 16.273 -1.279 1.00 0.51 C ATOM 1578 C SER A 221 5.625 17.090 -2.322 1.00 0.56 C ATOM 1579 O SER A 221 5.430 18.297 -2.456 1.00 0.63 O ATOM 1580 CB SER A 221 5.784 15.950 -0.090 1.00 0.52 C ATOM 1581 OG SER A 221 6.161 17.117 0.619 1.00 0.74 O ATOM 0 H SER A 221 4.728 14.190 -1.433 1.00 0.46 H new ATOM 0 HA SER A 221 4.019 16.854 -0.917 1.00 0.51 H new ATOM 0 HB2 SER A 221 5.273 15.264 0.586 1.00 0.52 H new ATOM 0 HB3 SER A 221 6.677 15.439 -0.448 1.00 0.52 H new ATOM 0 HG SER A 221 5.362 17.550 0.984 1.00 0.74 H new ATOM 1587 N GLN A 222 6.474 16.406 -3.075 1.00 0.57 N ATOM 1588 CA GLN A 222 7.232 17.035 -4.139 1.00 0.68 C ATOM 1589 C GLN A 222 6.383 17.168 -5.403 1.00 0.69 C ATOM 1590 O GLN A 222 6.628 18.035 -6.242 1.00 0.79 O ATOM 1591 CB GLN A 222 8.505 16.233 -4.405 1.00 0.77 C ATOM 1592 CG GLN A 222 8.730 15.893 -5.864 1.00 1.19 C ATOM 1593 CD GLN A 222 10.157 15.476 -6.160 1.00 1.31 C ATOM 1594 OE1 GLN A 222 11.108 16.021 -5.414 1.00 1.81 O flip ATOM 1595 NE2 GLN A 222 10.402 14.669 -7.057 1.00 1.52 N flip ATOM 0 H GLN A 222 6.654 15.408 -2.965 1.00 0.57 H new ATOM 0 HA GLN A 222 7.515 18.041 -3.830 1.00 0.68 H new ATOM 0 HB2 GLN A 222 9.361 16.800 -4.039 1.00 0.77 H new ATOM 0 HB3 GLN A 222 8.465 15.308 -3.830 1.00 0.77 H new ATOM 0 HG2 GLN A 222 8.054 15.088 -6.152 1.00 1.19 H new ATOM 0 HG3 GLN A 222 8.475 16.758 -6.477 1.00 1.19 H new ATOM 0 HE21 GLN A 222 9.641 14.273 -7.608 1.00 1.52 H new ATOM 0 HE22 GLN A 222 11.366 14.397 -7.249 1.00 1.52 H new ATOM 1604 N ALA A 223 5.386 16.309 -5.537 1.00 0.64 N ATOM 1605 CA ALA A 223 4.429 16.419 -6.626 1.00 0.71 C ATOM 1606 C ALA A 223 3.612 17.690 -6.452 1.00 0.71 C ATOM 1607 O ALA A 223 3.264 18.357 -7.421 1.00 0.82 O ATOM 1608 CB ALA A 223 3.528 15.195 -6.680 1.00 0.72 C ATOM 0 H ALA A 223 5.218 15.527 -4.904 1.00 0.64 H new ATOM 0 HA ALA A 223 4.968 16.470 -7.572 1.00 0.71 H new ATOM 0 HB1 ALA A 223 2.820 15.300 -7.502 1.00 0.72 H new ATOM 0 HB2 ALA A 223 4.135 14.303 -6.835 1.00 0.72 H new ATOM 0 HB3 ALA A 223 2.982 15.103 -5.741 1.00 0.72 H new ATOM 1614 N ALA A 224 3.339 18.028 -5.197 1.00 0.65 N ATOM 1615 CA ALA A 224 2.713 19.295 -4.851 1.00 0.72 C ATOM 1616 C ALA A 224 3.630 20.449 -5.200 1.00 0.82 C ATOM 1617 O ALA A 224 3.191 21.587 -5.311 1.00 0.93 O ATOM 1618 CB ALA A 224 2.357 19.325 -3.373 1.00 0.75 C ATOM 0 H ALA A 224 3.545 17.433 -4.395 1.00 0.65 H new ATOM 0 HA ALA A 224 1.794 19.397 -5.428 1.00 0.72 H new ATOM 0 HB1 ALA A 224 1.890 20.279 -3.131 1.00 0.75 H new ATOM 0 HB2 ALA A 224 1.664 18.514 -3.149 1.00 0.75 H new ATOM 0 HB3 ALA A 224 3.262 19.203 -2.778 1.00 0.75 H new ATOM 1624 N TYR A 225 4.904 20.141 -5.378 1.00 0.88 N ATOM 1625 CA TYR A 225 5.869 21.135 -5.795 1.00 1.02 C ATOM 1626 C TYR A 225 5.939 21.189 -7.317 1.00 1.13 C ATOM 1627 O TYR A 225 6.408 22.164 -7.901 1.00 1.30 O ATOM 1628 CB TYR A 225 7.241 20.833 -5.203 1.00 1.02 C ATOM 1629 CG TYR A 225 8.146 22.035 -5.188 1.00 1.29 C ATOM 1630 CD1 TYR A 225 7.732 23.207 -4.576 1.00 1.62 C ATOM 1631 CD2 TYR A 225 9.397 22.009 -5.785 1.00 2.15 C ATOM 1632 CE1 TYR A 225 8.543 24.325 -4.553 1.00 2.22 C ATOM 1633 CE2 TYR A 225 10.216 23.121 -5.770 1.00 2.88 C ATOM 1634 CZ TYR A 225 9.784 24.276 -5.152 1.00 2.75 C ATOM 1635 OH TYR A 225 10.597 25.388 -5.137 1.00 3.57 O ATOM 0 H TYR A 225 5.291 19.208 -5.239 1.00 0.88 H new ATOM 0 HA TYR A 225 5.549 22.109 -5.426 1.00 1.02 H new ATOM 0 HB2 TYR A 225 7.119 20.463 -4.185 1.00 1.02 H new ATOM 0 HB3 TYR A 225 7.712 20.036 -5.778 1.00 1.02 H new ATOM 0 HD1 TYR A 225 6.759 23.247 -4.109 1.00 1.62 H new ATOM 0 HD2 TYR A 225 9.736 21.105 -6.269 1.00 2.15 H new ATOM 0 HE1 TYR A 225 8.208 25.231 -4.070 1.00 2.22 H new ATOM 0 HE2 TYR A 225 11.188 23.086 -6.239 1.00 2.88 H new ATOM 0 HH TYR A 225 11.436 25.186 -5.601 1.00 3.57 H new ATOM 1645 N GLN A 226 5.463 20.127 -7.952 1.00 1.09 N ATOM 1646 CA GLN A 226 5.401 20.059 -9.405 1.00 1.27 C ATOM 1647 C GLN A 226 4.153 20.796 -9.885 1.00 1.36 C ATOM 1648 O GLN A 226 4.218 21.648 -10.770 1.00 1.55 O ATOM 1649 CB GLN A 226 5.368 18.591 -9.857 1.00 1.32 C ATOM 1650 CG GLN A 226 6.026 18.324 -11.205 1.00 1.60 C ATOM 1651 CD GLN A 226 5.407 19.109 -12.344 1.00 2.19 C ATOM 1652 OE1 GLN A 226 5.850 20.214 -12.665 1.00 2.87 O ATOM 1653 NE2 GLN A 226 4.376 18.550 -12.957 1.00 2.60 N ATOM 0 H GLN A 226 5.112 19.295 -7.479 1.00 1.09 H new ATOM 0 HA GLN A 226 6.284 20.531 -9.837 1.00 1.27 H new ATOM 0 HB2 GLN A 226 5.861 17.981 -9.100 1.00 1.32 H new ATOM 0 HB3 GLN A 226 4.330 18.263 -9.904 1.00 1.32 H new ATOM 0 HG2 GLN A 226 7.086 18.570 -11.138 1.00 1.60 H new ATOM 0 HG3 GLN A 226 5.959 17.259 -11.429 1.00 1.60 H new ATOM 0 HE21 GLN A 226 4.041 17.634 -12.659 1.00 2.60 H new ATOM 0 HE22 GLN A 226 3.916 19.036 -13.727 1.00 2.60 H new ATOM 1662 N ARG A 227 3.022 20.477 -9.268 1.00 1.25 N ATOM 1663 CA ARG A 227 1.756 21.133 -9.588 1.00 1.35 C ATOM 1664 C ARG A 227 1.658 22.506 -8.923 1.00 1.38 C ATOM 1665 O ARG A 227 0.678 23.223 -9.117 1.00 1.46 O ATOM 1666 CB ARG A 227 0.566 20.259 -9.172 1.00 1.32 C ATOM 1667 CG ARG A 227 0.627 19.774 -7.730 1.00 1.00 C ATOM 1668 CD ARG A 227 -0.622 18.996 -7.348 1.00 1.08 C ATOM 1669 NE ARG A 227 -0.388 18.110 -6.204 1.00 1.97 N ATOM 1670 CZ ARG A 227 -0.817 18.349 -4.963 1.00 2.50 C ATOM 1671 NH1 ARG A 227 -1.477 19.469 -4.683 1.00 2.39 N ATOM 1672 NH2 ARG A 227 -0.584 17.464 -3.998 1.00 3.59 N ATOM 0 H ARG A 227 2.954 19.766 -8.540 1.00 1.25 H new ATOM 0 HA ARG A 227 1.725 21.274 -10.668 1.00 1.35 H new ATOM 0 HB2 ARG A 227 -0.355 20.825 -9.315 1.00 1.32 H new ATOM 0 HB3 ARG A 227 0.515 19.394 -9.833 1.00 1.32 H new ATOM 0 HG2 ARG A 227 1.505 19.143 -7.595 1.00 1.00 H new ATOM 0 HG3 ARG A 227 0.743 20.628 -7.063 1.00 1.00 H new ATOM 0 HD2 ARG A 227 -1.425 19.694 -7.108 1.00 1.08 H new ATOM 0 HD3 ARG A 227 -0.957 18.406 -8.201 1.00 1.08 H new ATOM 0 HE ARG A 227 0.139 17.252 -6.368 1.00 1.97 H new ATOM 0 HH11 ARG A 227 -1.658 20.152 -5.419 1.00 2.39 H new ATOM 0 HH12 ARG A 227 -1.802 19.645 -3.732 1.00 2.39 H new ATOM 0 HH21 ARG A 227 -0.078 16.603 -4.207 1.00 3.59 H new ATOM 0 HH22 ARG A 227 -0.911 17.646 -3.049 1.00 3.59 H new ATOM 1686 N ALA A 228 2.664 22.850 -8.124 1.00 1.34 N ATOM 1687 CA ALA A 228 2.710 24.140 -7.441 1.00 1.43 C ATOM 1688 C ALA A 228 2.673 25.289 -8.437 1.00 1.64 C ATOM 1689 CB ALA A 228 3.959 24.246 -6.577 1.00 1.40 C ATOM 0 H ALA A 228 3.465 22.248 -7.932 1.00 1.34 H new ATOM 0 HA ALA A 228 1.830 24.207 -6.802 1.00 1.43 H new ATOM 0 HB1 ALA A 228 3.974 25.214 -6.077 1.00 1.40 H new ATOM 0 HB2 ALA A 228 3.953 23.452 -5.830 1.00 1.40 H new ATOM 0 HB3 ALA A 228 4.845 24.148 -7.204 1.00 1.40 H new