USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 664 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: B 202 GLN : amide:sc= -1.41! C(o=-1.9!,f=-9.5!) USER MOD Set 1.2: B 216 ASN : amide:sc= -0.455 X(o=-1.9,f=-1.8) USER MOD Set 2.1: A 202 GLN : amide:sc= -1.34! C(o=-1.8!,f=-8.9!) USER MOD Set 2.2: A 216 ASN : amide:sc= -0.458 X(o=-1.8,f=-1.7) USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 194 THR OG1 : rot -53:sc= 1.65 USER MOD Single : A 207 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 210 LYS NZ :NH3+ -165:sc= 0.00804 (180deg=0.000488) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 217 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0656) USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 SER OG : rot 80:sc= 1.28 USER MOD Single : A 229 SER OG : rot 62:sc= 0.799 USER MOD Single : B 190 SER OG : rot 180:sc= 0 USER MOD Single : B 194 THR OG1 : rot -88:sc= 1.6 USER MOD Single : B 207 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 210 LYS NZ :NH3+ -167:sc= 0.0048 (180deg=0) USER MOD Single : B 212 TYR OH : rot 180:sc= 0 USER MOD Single : B 217 LYS NZ :NH3+ 174:sc=-0.00474 (180deg=-0.0595) USER MOD Single : B 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 228 SER OG : rot 75:sc= 1.24 USER MOD Single : B 229 SER OG : rot 62:sc= 0.801 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 190 14.292 4.469 0.027 1.00 0.39 N ATOM 49 CA SER A 190 14.441 5.828 -0.484 1.00 0.43 C ATOM 50 C SER A 190 13.225 6.259 -1.300 1.00 0.37 C ATOM 51 O SER A 190 12.683 7.343 -1.089 1.00 0.39 O ATOM 52 CB SER A 190 15.713 5.924 -1.333 1.00 0.55 C ATOM 53 OG SER A 190 15.968 7.256 -1.744 1.00 1.24 O ATOM 0 HA SER A 190 14.520 6.504 0.368 1.00 0.43 H new ATOM 0 HB2 SER A 190 16.562 5.551 -0.760 1.00 0.55 H new ATOM 0 HB3 SER A 190 15.614 5.285 -2.210 1.00 0.55 H new ATOM 0 HG SER A 190 16.787 7.281 -2.282 1.00 1.24 H new ATOM 59 N VAL A 191 12.783 5.403 -2.215 1.00 0.35 N ATOM 60 CA VAL A 191 11.629 5.716 -3.047 1.00 0.30 C ATOM 61 C VAL A 191 10.345 5.742 -2.220 1.00 0.25 C ATOM 62 O VAL A 191 9.453 6.538 -2.481 1.00 0.25 O ATOM 63 CB VAL A 191 11.480 4.721 -4.223 1.00 0.30 C ATOM 64 CG1 VAL A 191 11.378 3.288 -3.729 1.00 0.35 C ATOM 65 CG2 VAL A 191 10.270 5.073 -5.079 1.00 0.31 C ATOM 0 H VAL A 191 13.204 4.492 -2.398 1.00 0.35 H new ATOM 0 HA VAL A 191 11.800 6.709 -3.463 1.00 0.30 H new ATOM 0 HB VAL A 191 12.377 4.802 -4.836 1.00 0.30 H new ATOM 0 HG11 VAL A 191 11.274 2.616 -4.581 1.00 0.35 H new ATOM 0 HG12 VAL A 191 12.278 3.031 -3.171 1.00 0.35 H new ATOM 0 HG13 VAL A 191 10.508 3.188 -3.080 1.00 0.35 H new ATOM 0 HG21 VAL A 191 10.185 4.360 -5.899 1.00 0.31 H new ATOM 0 HG22 VAL A 191 9.368 5.033 -4.468 1.00 0.31 H new ATOM 0 HG23 VAL A 191 10.390 6.078 -5.483 1.00 0.31 H new ATOM 75 N VAL A 192 10.275 4.900 -1.199 1.00 0.24 N ATOM 76 CA VAL A 192 9.091 4.819 -0.353 1.00 0.21 C ATOM 77 C VAL A 192 8.952 6.088 0.480 1.00 0.20 C ATOM 78 O VAL A 192 7.864 6.449 0.919 1.00 0.20 O ATOM 79 CB VAL A 192 9.157 3.598 0.587 1.00 0.20 C ATOM 80 CG1 VAL A 192 7.879 3.462 1.398 1.00 0.17 C ATOM 81 CG2 VAL A 192 9.419 2.333 -0.208 1.00 0.23 C ATOM 0 H VAL A 192 11.025 4.262 -0.935 1.00 0.24 H new ATOM 0 HA VAL A 192 8.225 4.710 -1.005 1.00 0.21 H new ATOM 0 HB VAL A 192 9.982 3.751 1.283 1.00 0.20 H new ATOM 0 HG11 VAL A 192 7.954 2.593 2.052 1.00 0.17 H new ATOM 0 HG12 VAL A 192 7.734 4.358 2.001 1.00 0.17 H new ATOM 0 HG13 VAL A 192 7.032 3.337 0.724 1.00 0.17 H new ATOM 0 HG21 VAL A 192 9.463 1.480 0.469 1.00 0.23 H new ATOM 0 HG22 VAL A 192 8.615 2.183 -0.929 1.00 0.23 H new ATOM 0 HG23 VAL A 192 10.368 2.426 -0.737 1.00 0.23 H new ATOM 91 N ALA A 193 10.062 6.778 0.667 1.00 0.22 N ATOM 92 CA ALA A 193 10.089 7.990 1.464 1.00 0.22 C ATOM 93 C ALA A 193 9.725 9.220 0.636 1.00 0.22 C ATOM 94 O ALA A 193 9.923 10.353 1.076 1.00 0.24 O ATOM 95 CB ALA A 193 11.459 8.165 2.100 1.00 0.24 C ATOM 0 H ALA A 193 10.966 6.516 0.273 1.00 0.22 H new ATOM 0 HA ALA A 193 9.339 7.891 2.248 1.00 0.22 H new ATOM 0 HB1 ALA A 193 11.469 9.077 2.696 1.00 0.24 H new ATOM 0 HB2 ALA A 193 11.674 7.310 2.741 1.00 0.24 H new ATOM 0 HB3 ALA A 193 12.217 8.233 1.319 1.00 0.24 H new ATOM 101 N THR A 194 9.204 9.008 -0.566 1.00 0.22 N ATOM 102 CA THR A 194 8.917 10.116 -1.462 1.00 0.23 C ATOM 103 C THR A 194 7.417 10.339 -1.584 1.00 0.22 C ATOM 104 O THR A 194 6.619 9.419 -1.384 1.00 0.20 O ATOM 105 CB THR A 194 9.493 9.884 -2.873 1.00 0.24 C ATOM 106 OG1 THR A 194 8.794 8.815 -3.525 1.00 0.24 O ATOM 107 CG2 THR A 194 10.975 9.553 -2.807 1.00 0.26 C ATOM 0 H THR A 194 8.974 8.087 -0.939 1.00 0.22 H new ATOM 0 HA THR A 194 9.393 10.995 -1.027 1.00 0.23 H new ATOM 0 HB THR A 194 9.364 10.804 -3.443 1.00 0.24 H new ATOM 0 HG1 THR A 194 8.792 8.024 -2.946 1.00 0.24 H new ATOM 0 HG21 THR A 194 11.357 9.394 -3.815 1.00 0.26 H new ATOM 0 HG22 THR A 194 11.512 10.379 -2.341 1.00 0.26 H new ATOM 0 HG23 THR A 194 11.120 8.648 -2.217 1.00 0.26 H new ATOM 115 N GLU A 195 7.043 11.563 -1.927 1.00 0.26 N ATOM 116 CA GLU A 195 5.651 11.884 -2.189 1.00 0.26 C ATOM 117 C GLU A 195 5.186 11.128 -3.420 1.00 0.20 C ATOM 118 O GLU A 195 4.030 10.741 -3.523 1.00 0.19 O ATOM 119 CB GLU A 195 5.455 13.382 -2.406 1.00 0.36 C ATOM 120 CG GLU A 195 5.826 14.233 -1.208 1.00 0.83 C ATOM 121 CD GLU A 195 5.517 15.697 -1.428 1.00 1.69 C ATOM 122 OE1 GLU A 195 6.362 16.407 -2.016 1.00 2.22 O ATOM 123 OE2 GLU A 195 4.423 16.146 -1.027 1.00 2.46 O ATOM 0 H GLU A 195 7.685 12.349 -2.030 1.00 0.26 H new ATOM 0 HA GLU A 195 5.062 11.589 -1.320 1.00 0.26 H new ATOM 0 HB2 GLU A 195 6.054 13.696 -3.261 1.00 0.36 H new ATOM 0 HB3 GLU A 195 4.412 13.568 -2.662 1.00 0.36 H new ATOM 0 HG2 GLU A 195 5.285 13.877 -0.331 1.00 0.83 H new ATOM 0 HG3 GLU A 195 6.889 14.116 -0.997 1.00 0.83 H new ATOM 130 N ALA A 196 6.117 10.937 -4.347 1.00 0.21 N ATOM 131 CA ALA A 196 5.858 10.213 -5.583 1.00 0.21 C ATOM 132 C ALA A 196 5.391 8.785 -5.321 1.00 0.17 C ATOM 133 O ALA A 196 4.467 8.301 -5.974 1.00 0.17 O ATOM 134 CB ALA A 196 7.104 10.204 -6.452 1.00 0.26 C ATOM 0 H ALA A 196 7.074 11.281 -4.262 1.00 0.21 H new ATOM 0 HA ALA A 196 5.053 10.730 -6.105 1.00 0.21 H new ATOM 0 HB1 ALA A 196 6.900 9.660 -7.374 1.00 0.26 H new ATOM 0 HB2 ALA A 196 7.389 11.229 -6.690 1.00 0.26 H new ATOM 0 HB3 ALA A 196 7.918 9.717 -5.916 1.00 0.26 H new ATOM 140 N PHE A 197 6.018 8.112 -4.360 1.00 0.14 N ATOM 141 CA PHE A 197 5.649 6.737 -4.052 1.00 0.12 C ATOM 142 C PHE A 197 4.229 6.672 -3.527 1.00 0.11 C ATOM 143 O PHE A 197 3.424 5.884 -4.004 1.00 0.11 O ATOM 144 CB PHE A 197 6.594 6.109 -3.027 1.00 0.10 C ATOM 145 CG PHE A 197 6.071 4.813 -2.467 1.00 0.10 C ATOM 146 CD1 PHE A 197 6.106 3.653 -3.221 1.00 0.17 C ATOM 147 CD2 PHE A 197 5.520 4.763 -1.196 1.00 0.14 C ATOM 148 CE1 PHE A 197 5.604 2.471 -2.719 1.00 0.22 C ATOM 149 CE2 PHE A 197 5.021 3.583 -0.689 1.00 0.15 C ATOM 150 CZ PHE A 197 5.062 2.433 -1.450 1.00 0.17 C ATOM 0 H PHE A 197 6.773 8.491 -3.789 1.00 0.14 H new ATOM 0 HA PHE A 197 5.725 6.171 -4.981 1.00 0.12 H new ATOM 0 HB2 PHE A 197 7.563 5.933 -3.494 1.00 0.10 H new ATOM 0 HB3 PHE A 197 6.756 6.813 -2.211 1.00 0.10 H new ATOM 0 HD1 PHE A 197 6.531 3.674 -4.214 1.00 0.17 H new ATOM 0 HD2 PHE A 197 5.481 5.660 -0.596 1.00 0.14 H new ATOM 0 HE1 PHE A 197 5.635 1.574 -3.319 1.00 0.22 H new ATOM 0 HE2 PHE A 197 4.598 3.558 0.304 1.00 0.15 H new ATOM 0 HZ PHE A 197 4.672 1.507 -1.055 1.00 0.17 H new ATOM 160 N TRP A 198 3.934 7.506 -2.546 1.00 0.11 N ATOM 161 CA TRP A 198 2.622 7.510 -1.920 1.00 0.11 C ATOM 162 C TRP A 198 1.562 8.031 -2.880 1.00 0.12 C ATOM 163 O TRP A 198 0.396 7.653 -2.795 1.00 0.13 O ATOM 164 CB TRP A 198 2.656 8.308 -0.618 1.00 0.11 C ATOM 165 CG TRP A 198 3.557 7.669 0.393 1.00 0.11 C ATOM 166 CD1 TRP A 198 4.785 8.105 0.798 1.00 0.12 C ATOM 167 CD2 TRP A 198 3.314 6.444 1.097 1.00 0.12 C ATOM 168 NE1 TRP A 198 5.317 7.228 1.713 1.00 0.13 N ATOM 169 CE2 TRP A 198 4.433 6.202 1.914 1.00 0.13 C ATOM 170 CE3 TRP A 198 2.256 5.532 1.115 1.00 0.14 C ATOM 171 CZ2 TRP A 198 4.525 5.085 2.741 1.00 0.16 C ATOM 172 CZ3 TRP A 198 2.347 4.424 1.936 1.00 0.16 C ATOM 173 CH2 TRP A 198 3.475 4.208 2.738 1.00 0.17 C ATOM 0 H TRP A 198 4.586 8.191 -2.164 1.00 0.11 H new ATOM 0 HA TRP A 198 2.350 6.484 -1.671 1.00 0.11 H new ATOM 0 HB2 TRP A 198 2.997 9.323 -0.821 1.00 0.11 H new ATOM 0 HB3 TRP A 198 1.648 8.386 -0.211 1.00 0.11 H new ATOM 0 HD1 TRP A 198 5.268 9.006 0.451 1.00 0.12 H new ATOM 0 HE1 TRP A 198 6.224 7.326 2.169 1.00 0.13 H new ATOM 0 HE3 TRP A 198 1.383 5.690 0.499 1.00 0.14 H new ATOM 0 HZ2 TRP A 198 5.393 4.917 3.362 1.00 0.16 H new ATOM 0 HZ3 TRP A 198 1.535 3.713 1.960 1.00 0.16 H new ATOM 0 HH2 TRP A 198 3.517 3.331 3.367 1.00 0.17 H new ATOM 184 N ASP A 199 1.980 8.892 -3.794 1.00 0.13 N ATOM 185 CA ASP A 199 1.103 9.394 -4.843 1.00 0.16 C ATOM 186 C ASP A 199 0.658 8.259 -5.751 1.00 0.14 C ATOM 187 O ASP A 199 -0.532 8.092 -6.013 1.00 0.15 O ATOM 188 CB ASP A 199 1.816 10.471 -5.663 1.00 0.21 C ATOM 189 CG ASP A 199 1.014 10.918 -6.869 1.00 0.30 C ATOM 190 OD1 ASP A 199 0.070 11.720 -6.701 1.00 1.01 O ATOM 191 OD2 ASP A 199 1.333 10.485 -7.994 1.00 1.23 O ATOM 0 H ASP A 199 2.930 9.261 -3.831 1.00 0.13 H new ATOM 0 HA ASP A 199 0.223 9.834 -4.374 1.00 0.16 H new ATOM 0 HB2 ASP A 199 2.017 11.333 -5.026 1.00 0.21 H new ATOM 0 HB3 ASP A 199 2.781 10.089 -5.996 1.00 0.21 H new ATOM 196 N ASP A 200 1.618 7.468 -6.214 1.00 0.16 N ATOM 197 CA ASP A 200 1.316 6.333 -7.079 1.00 0.18 C ATOM 198 C ASP A 200 0.622 5.224 -6.299 1.00 0.14 C ATOM 199 O ASP A 200 -0.220 4.512 -6.836 1.00 0.15 O ATOM 200 CB ASP A 200 2.584 5.785 -7.734 1.00 0.24 C ATOM 201 CG ASP A 200 3.114 6.678 -8.833 1.00 0.55 C ATOM 202 OD1 ASP A 200 2.422 6.832 -9.864 1.00 1.37 O ATOM 203 OD2 ASP A 200 4.237 7.210 -8.686 1.00 1.12 O ATOM 0 H ASP A 200 2.609 7.590 -6.006 1.00 0.16 H new ATOM 0 HA ASP A 200 0.645 6.689 -7.861 1.00 0.18 H new ATOM 0 HB2 ASP A 200 3.354 5.659 -6.973 1.00 0.24 H new ATOM 0 HB3 ASP A 200 2.376 4.797 -8.145 1.00 0.24 H new ATOM 208 N LEU A 201 0.998 5.080 -5.037 1.00 0.12 N ATOM 209 CA LEU A 201 0.389 4.099 -4.149 1.00 0.11 C ATOM 210 C LEU A 201 -1.103 4.382 -4.015 1.00 0.12 C ATOM 211 O LEU A 201 -1.933 3.486 -4.179 1.00 0.13 O ATOM 212 CB LEU A 201 1.096 4.153 -2.779 1.00 0.11 C ATOM 213 CG LEU A 201 0.845 2.989 -1.806 1.00 0.11 C ATOM 214 CD1 LEU A 201 -0.530 3.088 -1.165 1.00 0.18 C ATOM 215 CD2 LEU A 201 1.007 1.653 -2.514 1.00 0.13 C ATOM 0 H LEU A 201 1.732 5.638 -4.600 1.00 0.12 H new ATOM 0 HA LEU A 201 0.504 3.096 -4.560 1.00 0.11 H new ATOM 0 HB2 LEU A 201 2.169 4.218 -2.956 1.00 0.11 H new ATOM 0 HB3 LEU A 201 0.798 5.077 -2.283 1.00 0.11 H new ATOM 0 HG LEU A 201 1.589 3.055 -1.012 1.00 0.11 H new ATOM 0 HD11 LEU A 201 -0.675 2.250 -0.483 1.00 0.18 H new ATOM 0 HD12 LEU A 201 -0.607 4.024 -0.611 1.00 0.18 H new ATOM 0 HD13 LEU A 201 -1.296 3.061 -1.940 1.00 0.18 H new ATOM 0 HD21 LEU A 201 0.825 0.843 -1.808 1.00 0.13 H new ATOM 0 HD22 LEU A 201 0.292 1.587 -3.334 1.00 0.13 H new ATOM 0 HD23 LEU A 201 2.020 1.570 -2.908 1.00 0.13 H new ATOM 227 N GLN A 202 -1.444 5.639 -3.761 1.00 0.11 N ATOM 228 CA GLN A 202 -2.839 6.025 -3.680 1.00 0.12 C ATOM 229 C GLN A 202 -3.491 5.942 -5.050 1.00 0.12 C ATOM 230 O GLN A 202 -4.656 5.595 -5.157 1.00 0.13 O ATOM 231 CB GLN A 202 -3.010 7.427 -3.108 1.00 0.15 C ATOM 232 CG GLN A 202 -4.452 7.896 -3.175 1.00 0.21 C ATOM 233 CD GLN A 202 -4.687 9.236 -2.525 1.00 0.25 C ATOM 234 OE1 GLN A 202 -4.046 9.588 -1.538 1.00 0.71 O ATOM 235 NE2 GLN A 202 -5.607 9.994 -3.086 1.00 0.40 N ATOM 0 H GLN A 202 -0.779 6.398 -3.610 1.00 0.11 H new ATOM 0 HA GLN A 202 -3.330 5.327 -3.002 1.00 0.12 H new ATOM 0 HB2 GLN A 202 -2.672 7.439 -2.072 1.00 0.15 H new ATOM 0 HB3 GLN A 202 -2.376 8.123 -3.658 1.00 0.15 H new ATOM 0 HG2 GLN A 202 -4.758 7.951 -4.220 1.00 0.21 H new ATOM 0 HG3 GLN A 202 -5.089 7.153 -2.695 1.00 0.21 H new ATOM 0 HE21 GLN A 202 -6.114 9.659 -3.905 1.00 0.40 H new ATOM 0 HE22 GLN A 202 -5.812 10.916 -2.701 1.00 0.40 H new ATOM 244 N GLY A 203 -2.733 6.254 -6.092 1.00 0.14 N ATOM 245 CA GLY A 203 -3.247 6.141 -7.445 1.00 0.16 C ATOM 246 C GLY A 203 -3.702 4.731 -7.757 1.00 0.15 C ATOM 247 O GLY A 203 -4.766 4.522 -8.348 1.00 0.15 O ATOM 0 H GLY A 203 -1.770 6.584 -6.026 1.00 0.14 H new ATOM 0 HA2 GLY A 203 -4.082 6.830 -7.576 1.00 0.16 H new ATOM 0 HA3 GLY A 203 -2.474 6.439 -8.154 1.00 0.16 H new ATOM 251 N PHE A 204 -2.909 3.762 -7.323 1.00 0.15 N ATOM 252 CA PHE A 204 -3.243 2.361 -7.506 1.00 0.17 C ATOM 253 C PHE A 204 -4.455 2.010 -6.664 1.00 0.17 C ATOM 254 O PHE A 204 -5.322 1.252 -7.089 1.00 0.18 O ATOM 255 CB PHE A 204 -2.062 1.464 -7.123 1.00 0.20 C ATOM 256 CG PHE A 204 -2.438 0.012 -7.033 1.00 0.22 C ATOM 257 CD1 PHE A 204 -2.664 -0.731 -8.179 1.00 1.24 C ATOM 258 CD2 PHE A 204 -2.589 -0.601 -5.800 1.00 1.19 C ATOM 259 CE1 PHE A 204 -3.036 -2.058 -8.096 1.00 1.26 C ATOM 260 CE2 PHE A 204 -2.956 -1.927 -5.711 1.00 1.20 C ATOM 261 CZ PHE A 204 -3.182 -2.656 -6.859 1.00 0.31 C ATOM 0 H PHE A 204 -2.026 3.924 -6.839 1.00 0.15 H new ATOM 0 HA PHE A 204 -3.471 2.194 -8.559 1.00 0.17 H new ATOM 0 HB2 PHE A 204 -1.267 1.584 -7.859 1.00 0.20 H new ATOM 0 HB3 PHE A 204 -1.660 1.790 -6.164 1.00 0.20 H new ATOM 0 HD1 PHE A 204 -2.548 -0.268 -9.148 1.00 1.24 H new ATOM 0 HD2 PHE A 204 -2.417 -0.033 -4.897 1.00 1.19 H new ATOM 0 HE1 PHE A 204 -3.213 -2.628 -8.996 1.00 1.26 H new ATOM 0 HE2 PHE A 204 -3.066 -2.394 -4.743 1.00 1.20 H new ATOM 0 HZ PHE A 204 -3.473 -3.694 -6.792 1.00 0.31 H new ATOM 271 N LEU A 205 -4.511 2.577 -5.469 1.00 0.16 N ATOM 272 CA LEU A 205 -5.618 2.335 -4.562 1.00 0.17 C ATOM 273 C LEU A 205 -6.911 2.908 -5.129 1.00 0.17 C ATOM 274 O LEU A 205 -7.969 2.318 -4.982 1.00 0.19 O ATOM 275 CB LEU A 205 -5.325 2.941 -3.189 1.00 0.17 C ATOM 276 CG LEU A 205 -4.709 1.992 -2.156 1.00 0.17 C ATOM 277 CD1 LEU A 205 -3.581 1.168 -2.757 1.00 0.18 C ATOM 278 CD2 LEU A 205 -4.195 2.786 -0.970 1.00 0.15 C ATOM 0 H LEU A 205 -3.799 3.210 -5.105 1.00 0.16 H new ATOM 0 HA LEU A 205 -5.739 1.258 -4.448 1.00 0.17 H new ATOM 0 HB2 LEU A 205 -4.651 3.787 -3.323 1.00 0.17 H new ATOM 0 HB3 LEU A 205 -6.256 3.336 -2.782 1.00 0.17 H new ATOM 0 HG LEU A 205 -5.487 1.303 -1.826 1.00 0.17 H new ATOM 0 HD11 LEU A 205 -3.168 0.506 -1.995 1.00 0.18 H new ATOM 0 HD12 LEU A 205 -3.966 0.573 -3.585 1.00 0.18 H new ATOM 0 HD13 LEU A 205 -2.799 1.834 -3.122 1.00 0.18 H new ATOM 0 HD21 LEU A 205 -3.758 2.106 -0.239 1.00 0.15 H new ATOM 0 HD22 LEU A 205 -3.437 3.493 -1.307 1.00 0.15 H new ATOM 0 HD23 LEU A 205 -5.020 3.330 -0.511 1.00 0.15 H new ATOM 290 N GLU A 206 -6.816 4.056 -5.781 1.00 0.17 N ATOM 291 CA GLU A 206 -7.969 4.676 -6.411 1.00 0.19 C ATOM 292 C GLU A 206 -8.501 3.798 -7.532 1.00 0.21 C ATOM 293 O GLU A 206 -9.705 3.559 -7.626 1.00 0.24 O ATOM 294 CB GLU A 206 -7.606 6.057 -6.966 1.00 0.21 C ATOM 295 CG GLU A 206 -7.328 7.103 -5.899 1.00 0.23 C ATOM 296 CD GLU A 206 -6.958 8.451 -6.483 1.00 0.30 C ATOM 297 OE1 GLU A 206 -7.438 8.779 -7.590 1.00 1.13 O ATOM 298 OE2 GLU A 206 -6.190 9.196 -5.839 1.00 1.12 O ATOM 0 H GLU A 206 -5.947 4.579 -5.888 1.00 0.17 H new ATOM 0 HA GLU A 206 -8.743 4.793 -5.653 1.00 0.19 H new ATOM 0 HB2 GLU A 206 -6.726 5.961 -7.603 1.00 0.21 H new ATOM 0 HB3 GLU A 206 -8.421 6.408 -7.599 1.00 0.21 H new ATOM 0 HG2 GLU A 206 -8.209 7.215 -5.268 1.00 0.23 H new ATOM 0 HG3 GLU A 206 -6.518 6.755 -5.257 1.00 0.23 H new ATOM 305 N GLN A 207 -7.599 3.323 -8.382 1.00 0.22 N ATOM 306 CA GLN A 207 -7.982 2.489 -9.514 1.00 0.26 C ATOM 307 C GLN A 207 -8.530 1.138 -9.062 1.00 0.26 C ATOM 308 O GLN A 207 -9.530 0.660 -9.589 1.00 0.27 O ATOM 309 CB GLN A 207 -6.788 2.282 -10.446 1.00 0.34 C ATOM 310 CG GLN A 207 -6.253 3.576 -11.032 1.00 0.41 C ATOM 311 CD GLN A 207 -5.126 3.351 -12.018 1.00 0.54 C ATOM 312 OE1 GLN A 207 -3.952 3.315 -11.646 1.00 0.80 O ATOM 313 NE2 GLN A 207 -5.475 3.201 -13.283 1.00 1.13 N ATOM 0 H GLN A 207 -6.597 3.501 -8.309 1.00 0.22 H new ATOM 0 HA GLN A 207 -8.776 3.008 -10.051 1.00 0.26 H new ATOM 0 HB2 GLN A 207 -5.990 1.782 -9.897 1.00 0.34 H new ATOM 0 HB3 GLN A 207 -7.081 1.617 -11.258 1.00 0.34 H new ATOM 0 HG2 GLN A 207 -7.064 4.107 -11.529 1.00 0.41 H new ATOM 0 HG3 GLN A 207 -5.900 4.217 -10.224 1.00 0.41 H new ATOM 0 HE21 GLN A 207 -6.459 3.238 -13.548 1.00 1.13 H new ATOM 0 HE22 GLN A 207 -4.760 3.048 -13.995 1.00 1.13 H new ATOM 322 N ARG A 208 -7.874 0.529 -8.087 1.00 0.29 N ATOM 323 CA ARG A 208 -8.244 -0.803 -7.626 1.00 0.35 C ATOM 324 C ARG A 208 -9.513 -0.763 -6.770 1.00 0.36 C ATOM 325 O ARG A 208 -10.440 -1.545 -6.977 1.00 0.41 O ATOM 326 CB ARG A 208 -7.085 -1.406 -6.825 1.00 0.40 C ATOM 327 CG ARG A 208 -7.100 -2.924 -6.740 1.00 0.71 C ATOM 328 CD ARG A 208 -7.046 -3.558 -8.121 1.00 0.48 C ATOM 329 NE ARG A 208 -6.665 -4.970 -8.070 1.00 1.25 N ATOM 330 CZ ARG A 208 -7.500 -5.983 -8.287 1.00 1.28 C ATOM 331 NH1 ARG A 208 -8.789 -5.761 -8.519 1.00 1.59 N ATOM 332 NH2 ARG A 208 -7.038 -7.227 -8.280 1.00 1.97 N ATOM 0 H ARG A 208 -7.078 0.937 -7.596 1.00 0.29 H new ATOM 0 HA ARG A 208 -8.450 -1.425 -8.497 1.00 0.35 H new ATOM 0 HB2 ARG A 208 -6.145 -1.089 -7.276 1.00 0.40 H new ATOM 0 HB3 ARG A 208 -7.107 -0.998 -5.815 1.00 0.40 H new ATOM 0 HG2 ARG A 208 -6.251 -3.265 -6.148 1.00 0.71 H new ATOM 0 HG3 ARG A 208 -8.002 -3.252 -6.222 1.00 0.71 H new ATOM 0 HD2 ARG A 208 -8.021 -3.464 -8.600 1.00 0.48 H new ATOM 0 HD3 ARG A 208 -6.333 -3.014 -8.740 1.00 0.48 H new ATOM 0 HE ARG A 208 -5.693 -5.193 -7.853 1.00 1.25 H new ATOM 0 HH11 ARG A 208 -9.148 -4.806 -8.532 1.00 1.59 H new ATOM 0 HH12 ARG A 208 -9.420 -6.545 -8.684 1.00 1.59 H new ATOM 0 HH21 ARG A 208 -6.048 -7.402 -8.109 1.00 1.97 H new ATOM 0 HH22 ARG A 208 -7.673 -8.008 -8.446 1.00 1.97 H new ATOM 346 N LEU A 209 -9.536 0.152 -5.810 1.00 0.33 N ATOM 347 CA LEU A 209 -10.645 0.259 -4.862 1.00 0.36 C ATOM 348 C LEU A 209 -11.858 0.932 -5.474 1.00 0.39 C ATOM 349 O LEU A 209 -12.980 0.759 -4.992 1.00 0.45 O ATOM 350 CB LEU A 209 -10.225 1.042 -3.616 1.00 0.32 C ATOM 351 CG LEU A 209 -9.428 0.266 -2.565 1.00 0.33 C ATOM 352 CD1 LEU A 209 -8.271 -0.485 -3.189 1.00 0.33 C ATOM 353 CD2 LEU A 209 -8.913 1.214 -1.502 1.00 0.38 C ATOM 0 H LEU A 209 -8.795 0.837 -5.664 1.00 0.33 H new ATOM 0 HA LEU A 209 -10.914 -0.761 -4.587 1.00 0.36 H new ATOM 0 HB2 LEU A 209 -9.629 1.898 -3.934 1.00 0.32 H new ATOM 0 HB3 LEU A 209 -11.123 1.437 -3.141 1.00 0.32 H new ATOM 0 HG LEU A 209 -10.097 -0.464 -2.110 1.00 0.33 H new ATOM 0 HD11 LEU A 209 -7.727 -1.025 -2.414 1.00 0.33 H new ATOM 0 HD12 LEU A 209 -8.652 -1.193 -3.925 1.00 0.33 H new ATOM 0 HD13 LEU A 209 -7.600 0.221 -3.678 1.00 0.33 H new ATOM 0 HD21 LEU A 209 -8.347 0.654 -0.758 1.00 0.38 H new ATOM 0 HD22 LEU A 209 -8.267 1.961 -1.963 1.00 0.38 H new ATOM 0 HD23 LEU A 209 -9.754 1.711 -1.019 1.00 0.38 H new ATOM 365 N LYS A 210 -11.610 1.701 -6.532 1.00 0.35 N ATOM 366 CA LYS A 210 -12.645 2.472 -7.208 1.00 0.40 C ATOM 367 C LYS A 210 -13.233 3.519 -6.266 1.00 0.38 C ATOM 368 O LYS A 210 -14.411 3.867 -6.361 1.00 0.41 O ATOM 369 CB LYS A 210 -13.751 1.558 -7.748 1.00 0.49 C ATOM 370 CG LYS A 210 -13.268 0.534 -8.766 1.00 0.91 C ATOM 371 CD LYS A 210 -12.632 1.200 -9.976 1.00 1.06 C ATOM 372 CE LYS A 210 -12.191 0.173 -11.006 1.00 1.62 C ATOM 373 NZ LYS A 210 -11.384 0.784 -12.093 1.00 2.19 N ATOM 0 H LYS A 210 -10.683 1.806 -6.944 1.00 0.35 H new ATOM 0 HA LYS A 210 -12.185 2.982 -8.054 1.00 0.40 H new ATOM 0 HB2 LYS A 210 -14.214 1.033 -6.912 1.00 0.49 H new ATOM 0 HB3 LYS A 210 -14.525 2.174 -8.207 1.00 0.49 H new ATOM 0 HG2 LYS A 210 -12.545 -0.133 -8.296 1.00 0.91 H new ATOM 0 HG3 LYS A 210 -14.107 -0.082 -9.089 1.00 0.91 H new ATOM 0 HD2 LYS A 210 -13.344 1.890 -10.429 1.00 1.06 H new ATOM 0 HD3 LYS A 210 -11.773 1.791 -9.658 1.00 1.06 H new ATOM 0 HE2 LYS A 210 -11.607 -0.605 -10.515 1.00 1.62 H new ATOM 0 HE3 LYS A 210 -13.069 -0.310 -11.435 1.00 1.62 H new ATOM 0 HZ1 LYS A 210 -11.319 0.121 -12.892 1.00 2.19 H new ATOM 0 HZ2 LYS A 210 -11.838 1.664 -12.410 1.00 2.19 H new ATOM 0 HZ3 LYS A 210 -10.429 0.995 -11.740 1.00 2.19 H new ATOM 387 N ASP A 211 -12.398 4.032 -5.367 1.00 0.34 N ATOM 388 CA ASP A 211 -12.844 4.988 -4.363 1.00 0.34 C ATOM 389 C ASP A 211 -11.681 5.847 -3.895 1.00 0.31 C ATOM 390 O ASP A 211 -10.698 5.337 -3.361 1.00 0.31 O ATOM 391 CB ASP A 211 -13.454 4.264 -3.164 1.00 0.37 C ATOM 392 CG ASP A 211 -14.037 5.227 -2.151 1.00 0.40 C ATOM 393 OD1 ASP A 211 -15.148 5.744 -2.395 1.00 1.12 O ATOM 394 OD2 ASP A 211 -13.387 5.485 -1.121 1.00 1.06 O ATOM 0 H ASP A 211 -11.406 3.800 -5.315 1.00 0.34 H new ATOM 0 HA ASP A 211 -13.602 5.625 -4.818 1.00 0.34 H new ATOM 0 HB2 ASP A 211 -14.234 3.586 -3.510 1.00 0.37 H new ATOM 0 HB3 ASP A 211 -12.690 3.652 -2.684 1.00 0.37 H new ATOM 399 N TYR A 212 -11.797 7.149 -4.115 1.00 0.30 N ATOM 400 CA TYR A 212 -10.760 8.102 -3.745 1.00 0.29 C ATOM 401 C TYR A 212 -10.612 8.230 -2.232 1.00 0.30 C ATOM 402 O TYR A 212 -9.497 8.326 -1.720 1.00 0.29 O ATOM 403 CB TYR A 212 -11.091 9.464 -4.364 1.00 0.32 C ATOM 404 CG TYR A 212 -10.287 10.617 -3.808 1.00 0.37 C ATOM 405 CD1 TYR A 212 -9.002 10.881 -4.260 1.00 1.12 C ATOM 406 CD2 TYR A 212 -10.822 11.444 -2.828 1.00 1.35 C ATOM 407 CE1 TYR A 212 -8.272 11.937 -3.750 1.00 1.14 C ATOM 408 CE2 TYR A 212 -10.100 12.499 -2.315 1.00 1.42 C ATOM 409 CZ TYR A 212 -8.826 12.742 -2.778 1.00 0.60 C ATOM 410 OH TYR A 212 -8.103 13.793 -2.267 1.00 0.74 O ATOM 0 H TYR A 212 -12.613 7.575 -4.555 1.00 0.30 H new ATOM 0 HA TYR A 212 -9.807 7.737 -4.128 1.00 0.29 H new ATOM 0 HB2 TYR A 212 -10.928 9.409 -5.440 1.00 0.32 H new ATOM 0 HB3 TYR A 212 -12.151 9.670 -4.213 1.00 0.32 H new ATOM 0 HD1 TYR A 212 -8.566 10.252 -5.022 1.00 1.12 H new ATOM 0 HD2 TYR A 212 -11.821 11.257 -2.462 1.00 1.35 H new ATOM 0 HE1 TYR A 212 -7.273 12.131 -4.111 1.00 1.14 H new ATOM 0 HE2 TYR A 212 -10.531 13.132 -1.554 1.00 1.42 H new ATOM 0 HH TYR A 212 -8.638 14.261 -1.592 1.00 0.74 H new ATOM 420 N ASP A 213 -11.733 8.231 -1.524 1.00 0.34 N ATOM 421 CA ASP A 213 -11.722 8.472 -0.082 1.00 0.37 C ATOM 422 C ASP A 213 -10.933 7.399 0.647 1.00 0.32 C ATOM 423 O ASP A 213 -10.026 7.705 1.421 1.00 0.29 O ATOM 424 CB ASP A 213 -13.146 8.525 0.480 1.00 0.49 C ATOM 425 CG ASP A 213 -13.907 9.753 0.034 1.00 1.15 C ATOM 426 OD1 ASP A 213 -13.647 10.848 0.580 1.00 2.01 O ATOM 427 OD2 ASP A 213 -14.776 9.630 -0.859 1.00 1.63 O ATOM 0 H ASP A 213 -12.659 8.069 -1.919 1.00 0.34 H new ATOM 0 HA ASP A 213 -11.241 9.437 0.079 1.00 0.37 H new ATOM 0 HB2 ASP A 213 -13.689 7.633 0.167 1.00 0.49 H new ATOM 0 HB3 ASP A 213 -13.103 8.506 1.569 1.00 0.49 H new ATOM 432 N GLU A 214 -11.256 6.144 0.374 1.00 0.34 N ATOM 433 CA GLU A 214 -10.603 5.034 1.044 1.00 0.34 C ATOM 434 C GLU A 214 -9.164 4.899 0.570 1.00 0.25 C ATOM 435 O GLU A 214 -8.297 4.446 1.310 1.00 0.25 O ATOM 436 CB GLU A 214 -11.359 3.733 0.793 1.00 0.43 C ATOM 437 CG GLU A 214 -10.991 2.631 1.769 1.00 0.56 C ATOM 438 CD GLU A 214 -11.302 3.007 3.205 1.00 0.74 C ATOM 439 OE1 GLU A 214 -12.501 3.067 3.559 1.00 1.24 O ATOM 440 OE2 GLU A 214 -10.358 3.240 3.983 1.00 1.48 O ATOM 0 H GLU A 214 -11.965 5.871 -0.306 1.00 0.34 H new ATOM 0 HA GLU A 214 -10.604 5.236 2.115 1.00 0.34 H new ATOM 0 HB2 GLU A 214 -12.430 3.924 0.858 1.00 0.43 H new ATOM 0 HB3 GLU A 214 -11.157 3.393 -0.223 1.00 0.43 H new ATOM 0 HG2 GLU A 214 -11.533 1.722 1.508 1.00 0.56 H new ATOM 0 HG3 GLU A 214 -9.928 2.407 1.676 1.00 0.56 H new ATOM 447 N ALA A 215 -8.912 5.320 -0.659 1.00 0.20 N ATOM 448 CA ALA A 215 -7.573 5.251 -1.221 1.00 0.17 C ATOM 449 C ALA A 215 -6.652 6.217 -0.490 1.00 0.15 C ATOM 450 O ALA A 215 -5.502 5.899 -0.181 1.00 0.15 O ATOM 451 CB ALA A 215 -7.604 5.578 -2.704 1.00 0.16 C ATOM 0 H ALA A 215 -9.615 5.712 -1.285 1.00 0.20 H new ATOM 0 HA ALA A 215 -7.193 4.237 -1.097 1.00 0.17 H new ATOM 0 HB1 ALA A 215 -6.594 5.522 -3.110 1.00 0.16 H new ATOM 0 HB2 ALA A 215 -8.243 4.862 -3.221 1.00 0.16 H new ATOM 0 HB3 ALA A 215 -7.997 6.585 -2.846 1.00 0.16 H new ATOM 457 N ASN A 216 -7.186 7.392 -0.201 1.00 0.17 N ATOM 458 CA ASN A 216 -6.451 8.419 0.518 1.00 0.18 C ATOM 459 C ASN A 216 -6.234 7.983 1.960 1.00 0.18 C ATOM 460 O ASN A 216 -5.129 8.079 2.498 1.00 0.18 O ATOM 461 CB ASN A 216 -7.226 9.736 0.478 1.00 0.22 C ATOM 462 CG ASN A 216 -6.449 10.901 1.064 1.00 0.33 C ATOM 463 OD1 ASN A 216 -7.021 11.782 1.705 1.00 0.63 O ATOM 464 ND2 ASN A 216 -5.150 10.934 0.824 1.00 0.35 N ATOM 0 H ASN A 216 -8.136 7.660 -0.457 1.00 0.17 H new ATOM 0 HA ASN A 216 -5.481 8.566 0.043 1.00 0.18 H new ATOM 0 HB2 ASN A 216 -7.489 9.965 -0.555 1.00 0.22 H new ATOM 0 HB3 ASN A 216 -8.161 9.618 1.026 1.00 0.22 H new ATOM 0 HD21 ASN A 216 -4.586 11.708 1.174 1.00 0.35 H new ATOM 0 HD22 ASN A 216 -4.711 10.185 0.289 1.00 0.35 H new ATOM 471 N LYS A 217 -7.300 7.474 2.567 1.00 0.19 N ATOM 472 CA LYS A 217 -7.262 7.001 3.944 1.00 0.19 C ATOM 473 C LYS A 217 -6.242 5.884 4.113 1.00 0.17 C ATOM 474 O LYS A 217 -5.508 5.849 5.100 1.00 0.18 O ATOM 475 CB LYS A 217 -8.644 6.506 4.365 1.00 0.22 C ATOM 476 CG LYS A 217 -9.658 7.621 4.560 1.00 0.27 C ATOM 477 CD LYS A 217 -11.072 7.078 4.695 1.00 0.37 C ATOM 478 CE LYS A 217 -11.186 6.056 5.815 1.00 1.17 C ATOM 479 NZ LYS A 217 -10.792 6.620 7.134 1.00 1.99 N ATOM 0 H LYS A 217 -8.212 7.378 2.120 1.00 0.19 H new ATOM 0 HA LYS A 217 -6.965 7.835 4.580 1.00 0.19 H new ATOM 0 HB2 LYS A 217 -9.018 5.814 3.610 1.00 0.22 H new ATOM 0 HB3 LYS A 217 -8.552 5.944 5.294 1.00 0.22 H new ATOM 0 HG2 LYS A 217 -9.402 8.194 5.451 1.00 0.27 H new ATOM 0 HG3 LYS A 217 -9.611 8.308 3.715 1.00 0.27 H new ATOM 0 HD2 LYS A 217 -11.760 7.902 4.885 1.00 0.37 H new ATOM 0 HD3 LYS A 217 -11.376 6.620 3.754 1.00 0.37 H new ATOM 0 HE2 LYS A 217 -12.212 5.692 5.869 1.00 1.17 H new ATOM 0 HE3 LYS A 217 -10.555 5.197 5.586 1.00 1.17 H new ATOM 0 HZ1 LYS A 217 -11.013 5.935 7.885 1.00 1.99 H new ATOM 0 HZ2 LYS A 217 -9.771 6.818 7.136 1.00 1.99 H new ATOM 0 HZ3 LYS A 217 -11.316 7.502 7.305 1.00 1.99 H new ATOM 493 N LEU A 218 -6.182 4.990 3.140 1.00 0.16 N ATOM 494 CA LEU A 218 -5.254 3.877 3.204 1.00 0.15 C ATOM 495 C LEU A 218 -3.833 4.363 2.969 1.00 0.13 C ATOM 496 O LEU A 218 -2.901 3.865 3.577 1.00 0.14 O ATOM 497 CB LEU A 218 -5.622 2.784 2.207 1.00 0.16 C ATOM 498 CG LEU A 218 -6.827 1.924 2.590 1.00 0.17 C ATOM 499 CD1 LEU A 218 -7.100 0.900 1.506 1.00 0.20 C ATOM 500 CD2 LEU A 218 -6.596 1.234 3.927 1.00 0.20 C ATOM 0 H LEU A 218 -6.762 5.014 2.301 1.00 0.16 H new ATOM 0 HA LEU A 218 -5.317 3.444 4.202 1.00 0.15 H new ATOM 0 HB2 LEU A 218 -5.821 3.249 1.241 1.00 0.16 H new ATOM 0 HB3 LEU A 218 -4.759 2.131 2.074 1.00 0.16 H new ATOM 0 HG LEU A 218 -7.697 2.573 2.690 1.00 0.17 H new ATOM 0 HD11 LEU A 218 -7.960 0.292 1.788 1.00 0.20 H new ATOM 0 HD12 LEU A 218 -7.309 1.412 0.567 1.00 0.20 H new ATOM 0 HD13 LEU A 218 -6.227 0.259 1.383 1.00 0.20 H new ATOM 0 HD21 LEU A 218 -7.466 0.628 4.179 1.00 0.20 H new ATOM 0 HD22 LEU A 218 -5.716 0.595 3.859 1.00 0.20 H new ATOM 0 HD23 LEU A 218 -6.440 1.985 4.702 1.00 0.20 H new ATOM 512 N ARG A 219 -3.676 5.336 2.078 1.00 0.13 N ATOM 513 CA ARG A 219 -2.370 5.943 1.833 1.00 0.13 C ATOM 514 C ARG A 219 -1.794 6.494 3.133 1.00 0.12 C ATOM 515 O ARG A 219 -0.611 6.318 3.433 1.00 0.12 O ATOM 516 CB ARG A 219 -2.481 7.072 0.808 1.00 0.13 C ATOM 517 CG ARG A 219 -1.135 7.573 0.310 1.00 0.19 C ATOM 518 CD ARG A 219 -1.241 8.977 -0.259 1.00 0.17 C ATOM 519 NE ARG A 219 -1.392 9.981 0.795 1.00 0.54 N ATOM 520 CZ ARG A 219 -1.890 11.200 0.603 1.00 0.79 C ATOM 521 NH1 ARG A 219 -2.331 11.564 -0.591 1.00 0.61 N ATOM 522 NH2 ARG A 219 -1.965 12.052 1.615 1.00 1.29 N ATOM 0 H ARG A 219 -4.434 5.721 1.514 1.00 0.13 H new ATOM 0 HA ARG A 219 -1.707 5.173 1.439 1.00 0.13 H new ATOM 0 HB2 ARG A 219 -3.067 6.724 -0.042 1.00 0.13 H new ATOM 0 HB3 ARG A 219 -3.027 7.904 1.253 1.00 0.13 H new ATOM 0 HG2 ARG A 219 -0.416 7.564 1.129 1.00 0.19 H new ATOM 0 HG3 ARG A 219 -0.754 6.897 -0.455 1.00 0.19 H new ATOM 0 HD2 ARG A 219 -0.351 9.199 -0.847 1.00 0.17 H new ATOM 0 HD3 ARG A 219 -2.093 9.031 -0.937 1.00 0.17 H new ATOM 0 HE ARG A 219 -1.096 9.730 1.738 1.00 0.54 H new ATOM 0 HH11 ARG A 219 -2.290 10.908 -1.371 1.00 0.61 H new ATOM 0 HH12 ARG A 219 -2.711 12.500 -0.731 1.00 0.61 H new ATOM 0 HH21 ARG A 219 -1.641 11.774 2.541 1.00 1.29 H new ATOM 0 HH22 ARG A 219 -2.347 12.986 1.468 1.00 1.29 H new ATOM 536 N VAL A 220 -2.654 7.133 3.918 1.00 0.13 N ATOM 537 CA VAL A 220 -2.238 7.734 5.178 1.00 0.14 C ATOM 538 C VAL A 220 -1.935 6.644 6.198 1.00 0.14 C ATOM 539 O VAL A 220 -0.874 6.628 6.814 1.00 0.15 O ATOM 540 CB VAL A 220 -3.322 8.678 5.740 1.00 0.16 C ATOM 541 CG1 VAL A 220 -2.887 9.269 7.074 1.00 0.19 C ATOM 542 CG2 VAL A 220 -3.639 9.783 4.743 1.00 0.16 C ATOM 0 H VAL A 220 -3.644 7.248 3.703 1.00 0.13 H new ATOM 0 HA VAL A 220 -1.340 8.322 4.986 1.00 0.14 H new ATOM 0 HB VAL A 220 -4.227 8.094 5.906 1.00 0.16 H new ATOM 0 HG11 VAL A 220 -3.667 9.931 7.450 1.00 0.19 H new ATOM 0 HG12 VAL A 220 -2.717 8.465 7.790 1.00 0.19 H new ATOM 0 HG13 VAL A 220 -1.965 9.835 6.938 1.00 0.19 H new ATOM 0 HG21 VAL A 220 -4.405 10.438 5.157 1.00 0.16 H new ATOM 0 HG22 VAL A 220 -2.737 10.361 4.542 1.00 0.16 H new ATOM 0 HG23 VAL A 220 -4.002 9.342 3.815 1.00 0.16 H new ATOM 552 N LEU A 221 -2.875 5.720 6.323 1.00 0.13 N ATOM 553 CA LEU A 221 -2.779 4.615 7.270 1.00 0.13 C ATOM 554 C LEU A 221 -1.508 3.805 7.041 1.00 0.11 C ATOM 555 O LEU A 221 -0.738 3.537 7.968 1.00 0.12 O ATOM 556 CB LEU A 221 -4.006 3.717 7.109 1.00 0.15 C ATOM 557 CG LEU A 221 -3.986 2.420 7.910 1.00 0.16 C ATOM 558 CD1 LEU A 221 -4.043 2.707 9.400 1.00 0.20 C ATOM 559 CD2 LEU A 221 -5.137 1.526 7.485 1.00 0.26 C ATOM 0 H LEU A 221 -3.731 5.714 5.768 1.00 0.13 H new ATOM 0 HA LEU A 221 -2.740 5.019 8.282 1.00 0.13 H new ATOM 0 HB2 LEU A 221 -4.890 4.286 7.396 1.00 0.15 H new ATOM 0 HB3 LEU A 221 -4.116 3.469 6.053 1.00 0.15 H new ATOM 0 HG LEU A 221 -3.051 1.899 7.707 1.00 0.16 H new ATOM 0 HD11 LEU A 221 -4.028 1.767 9.952 1.00 0.20 H new ATOM 0 HD12 LEU A 221 -3.182 3.311 9.687 1.00 0.20 H new ATOM 0 HD13 LEU A 221 -4.960 3.249 9.631 1.00 0.20 H new ATOM 0 HD21 LEU A 221 -5.113 0.602 8.063 1.00 0.26 H new ATOM 0 HD22 LEU A 221 -6.082 2.040 7.662 1.00 0.26 H new ATOM 0 HD23 LEU A 221 -5.044 1.292 6.424 1.00 0.26 H new ATOM 571 N PHE A 222 -1.293 3.437 5.792 1.00 0.10 N ATOM 572 CA PHE A 222 -0.140 2.648 5.409 1.00 0.10 C ATOM 573 C PHE A 222 1.142 3.429 5.647 1.00 0.10 C ATOM 574 O PHE A 222 2.152 2.863 6.058 1.00 0.11 O ATOM 575 CB PHE A 222 -0.235 2.235 3.938 1.00 0.10 C ATOM 576 CG PHE A 222 -1.379 1.302 3.618 1.00 0.10 C ATOM 577 CD1 PHE A 222 -2.153 0.741 4.623 1.00 1.23 C ATOM 578 CD2 PHE A 222 -1.674 0.984 2.300 1.00 1.16 C ATOM 579 CE1 PHE A 222 -3.192 -0.116 4.322 1.00 1.25 C ATOM 580 CE2 PHE A 222 -2.714 0.127 1.993 1.00 1.15 C ATOM 581 CZ PHE A 222 -3.473 -0.424 3.005 1.00 0.12 C ATOM 0 H PHE A 222 -1.912 3.676 5.017 1.00 0.10 H new ATOM 0 HA PHE A 222 -0.123 1.749 6.025 1.00 0.10 H new ATOM 0 HB2 PHE A 222 -0.335 3.133 3.328 1.00 0.10 H new ATOM 0 HB3 PHE A 222 0.700 1.755 3.648 1.00 0.10 H new ATOM 0 HD1 PHE A 222 -1.940 0.978 5.655 1.00 1.23 H new ATOM 0 HD2 PHE A 222 -1.083 1.412 1.504 1.00 1.16 H new ATOM 0 HE1 PHE A 222 -3.785 -0.546 5.116 1.00 1.25 H new ATOM 0 HE2 PHE A 222 -2.932 -0.111 0.962 1.00 1.15 H new ATOM 0 HZ PHE A 222 -4.285 -1.095 2.768 1.00 0.12 H new ATOM 591 N LYS A 223 1.098 4.735 5.402 1.00 0.10 N ATOM 592 CA LYS A 223 2.265 5.571 5.621 1.00 0.11 C ATOM 593 C LYS A 223 2.581 5.690 7.107 1.00 0.12 C ATOM 594 O LYS A 223 3.740 5.834 7.488 1.00 0.14 O ATOM 595 CB LYS A 223 2.077 6.959 5.021 1.00 0.12 C ATOM 596 CG LYS A 223 3.366 7.759 5.012 1.00 0.13 C ATOM 597 CD LYS A 223 3.175 9.149 4.439 1.00 0.20 C ATOM 598 CE LYS A 223 4.508 9.860 4.306 1.00 0.25 C ATOM 599 NZ LYS A 223 4.346 11.288 3.941 1.00 0.36 N ATOM 0 H LYS A 223 0.276 5.229 5.056 1.00 0.10 H new ATOM 0 HA LYS A 223 3.104 5.089 5.119 1.00 0.11 H new ATOM 0 HB2 LYS A 223 1.703 6.865 4.002 1.00 0.12 H new ATOM 0 HB3 LYS A 223 1.320 7.499 5.590 1.00 0.12 H new ATOM 0 HG2 LYS A 223 3.750 7.837 6.029 1.00 0.13 H new ATOM 0 HG3 LYS A 223 4.117 7.227 4.428 1.00 0.13 H new ATOM 0 HD2 LYS A 223 2.693 9.083 3.464 1.00 0.20 H new ATOM 0 HD3 LYS A 223 2.512 9.726 5.084 1.00 0.20 H new ATOM 0 HE2 LYS A 223 5.053 9.787 5.247 1.00 0.25 H new ATOM 0 HE3 LYS A 223 5.111 9.359 3.549 1.00 0.25 H new ATOM 0 HZ1 LYS A 223 5.282 11.734 3.861 1.00 0.36 H new ATOM 0 HZ2 LYS A 223 3.849 11.359 3.030 1.00 0.36 H new ATOM 0 HZ3 LYS A 223 3.793 11.774 4.676 1.00 0.36 H new ATOM 613 N GLU A 224 1.557 5.610 7.948 1.00 0.12 N ATOM 614 CA GLU A 224 1.761 5.670 9.390 1.00 0.13 C ATOM 615 C GLU A 224 2.376 4.365 9.865 1.00 0.13 C ATOM 616 O GLU A 224 3.194 4.343 10.785 1.00 0.15 O ATOM 617 CB GLU A 224 0.441 5.917 10.126 1.00 0.16 C ATOM 618 CG GLU A 224 -0.250 7.211 9.738 1.00 0.24 C ATOM 619 CD GLU A 224 -1.514 7.456 10.536 1.00 1.36 C ATOM 620 OE1 GLU A 224 -2.537 6.789 10.271 1.00 1.92 O ATOM 621 OE2 GLU A 224 -1.490 8.315 11.442 1.00 2.28 O ATOM 0 H GLU A 224 0.584 5.504 7.660 1.00 0.12 H new ATOM 0 HA GLU A 224 2.432 6.500 9.610 1.00 0.13 H new ATOM 0 HB2 GLU A 224 -0.234 5.084 9.930 1.00 0.16 H new ATOM 0 HB3 GLU A 224 0.632 5.927 11.199 1.00 0.16 H new ATOM 0 HG2 GLU A 224 0.437 8.044 9.886 1.00 0.24 H new ATOM 0 HG3 GLU A 224 -0.494 7.184 8.676 1.00 0.24 H new ATOM 628 N ALA A 225 1.991 3.281 9.205 1.00 0.13 N ATOM 629 CA ALA A 225 2.531 1.966 9.509 1.00 0.15 C ATOM 630 C ALA A 225 3.996 1.901 9.097 1.00 0.15 C ATOM 631 O ALA A 225 4.841 1.352 9.809 1.00 0.16 O ATOM 632 CB ALA A 225 1.727 0.889 8.797 1.00 0.15 C ATOM 0 H ALA A 225 1.303 3.289 8.452 1.00 0.13 H new ATOM 0 HA ALA A 225 2.461 1.792 10.583 1.00 0.15 H new ATOM 0 HB1 ALA A 225 2.142 -0.091 9.033 1.00 0.15 H new ATOM 0 HB2 ALA A 225 0.689 0.932 9.126 1.00 0.15 H new ATOM 0 HB3 ALA A 225 1.773 1.053 7.720 1.00 0.15 H new ATOM 638 N TRP A 226 4.284 2.494 7.948 1.00 0.15 N ATOM 639 CA TRP A 226 5.637 2.581 7.431 1.00 0.16 C ATOM 640 C TRP A 226 6.497 3.444 8.351 1.00 0.17 C ATOM 641 O TRP A 226 7.639 3.104 8.656 1.00 0.18 O ATOM 642 CB TRP A 226 5.597 3.157 6.011 1.00 0.16 C ATOM 643 CG TRP A 226 6.941 3.467 5.436 1.00 0.16 C ATOM 644 CD1 TRP A 226 7.876 2.574 5.004 1.00 0.17 C ATOM 645 CD2 TRP A 226 7.492 4.768 5.223 1.00 0.16 C ATOM 646 NE1 TRP A 226 8.980 3.243 4.537 1.00 0.17 N ATOM 647 CE2 TRP A 226 8.768 4.593 4.660 1.00 0.17 C ATOM 648 CE3 TRP A 226 7.025 6.064 5.455 1.00 0.17 C ATOM 649 CZ2 TRP A 226 9.585 5.670 4.328 1.00 0.18 C ATOM 650 CZ3 TRP A 226 7.835 7.130 5.125 1.00 0.18 C ATOM 651 CH2 TRP A 226 9.103 6.929 4.567 1.00 0.19 C ATOM 0 H TRP A 226 3.583 2.929 7.348 1.00 0.15 H new ATOM 0 HA TRP A 226 6.083 1.587 7.394 1.00 0.16 H new ATOM 0 HB2 TRP A 226 5.090 2.447 5.358 1.00 0.16 H new ATOM 0 HB3 TRP A 226 4.998 4.068 6.018 1.00 0.16 H new ATOM 0 HD1 TRP A 226 7.765 1.500 5.026 1.00 0.17 H new ATOM 0 HE1 TRP A 226 9.821 2.807 4.160 1.00 0.17 H new ATOM 0 HE3 TRP A 226 6.048 6.228 5.885 1.00 0.17 H new ATOM 0 HZ2 TRP A 226 10.564 5.518 3.897 1.00 0.18 H new ATOM 0 HZ3 TRP A 226 7.485 8.137 5.300 1.00 0.18 H new ATOM 0 HH2 TRP A 226 9.714 7.785 4.320 1.00 0.19 H new ATOM 662 N ARG A 227 5.926 4.548 8.816 1.00 0.18 N ATOM 663 CA ARG A 227 6.614 5.435 9.744 1.00 0.21 C ATOM 664 C ARG A 227 6.895 4.734 11.065 1.00 0.24 C ATOM 665 O ARG A 227 7.956 4.922 11.660 1.00 0.25 O ATOM 666 CB ARG A 227 5.796 6.704 9.990 1.00 0.24 C ATOM 667 CG ARG A 227 5.911 7.730 8.874 1.00 0.27 C ATOM 668 CD ARG A 227 7.319 8.294 8.792 1.00 0.37 C ATOM 669 NE ARG A 227 7.453 9.308 7.748 1.00 0.98 N ATOM 670 CZ ARG A 227 8.621 9.708 7.246 1.00 1.26 C ATOM 671 NH1 ARG A 227 9.756 9.211 7.718 1.00 0.71 N ATOM 672 NH2 ARG A 227 8.655 10.615 6.280 1.00 2.25 N ATOM 0 H ARG A 227 4.985 4.851 8.564 1.00 0.18 H new ATOM 0 HA ARG A 227 7.566 5.713 9.291 1.00 0.21 H new ATOM 0 HB2 ARG A 227 4.748 6.432 10.115 1.00 0.24 H new ATOM 0 HB3 ARG A 227 6.121 7.160 10.925 1.00 0.24 H new ATOM 0 HG2 ARG A 227 5.645 7.269 7.923 1.00 0.27 H new ATOM 0 HG3 ARG A 227 5.201 8.539 9.045 1.00 0.27 H new ATOM 0 HD2 ARG A 227 7.590 8.729 9.754 1.00 0.37 H new ATOM 0 HD3 ARG A 227 8.022 7.483 8.600 1.00 0.37 H new ATOM 0 HE ARG A 227 6.602 9.735 7.382 1.00 0.98 H new ATOM 0 HH11 ARG A 227 9.737 8.520 8.468 1.00 0.71 H new ATOM 0 HH12 ARG A 227 10.648 9.520 7.331 1.00 0.71 H new ATOM 0 HH21 ARG A 227 7.786 11.009 5.919 1.00 2.25 H new ATOM 0 HH22 ARG A 227 9.550 10.919 5.898 1.00 2.25 H new ATOM 686 N SER A 228 5.955 3.912 11.515 1.00 0.28 N ATOM 687 CA SER A 228 6.100 3.189 12.771 1.00 0.33 C ATOM 688 C SER A 228 7.102 2.040 12.648 1.00 0.35 C ATOM 689 O SER A 228 7.437 1.389 13.636 1.00 0.40 O ATOM 690 CB SER A 228 4.740 2.654 13.217 1.00 0.36 C ATOM 691 OG SER A 228 3.798 3.708 13.350 1.00 1.16 O ATOM 0 H SER A 228 5.079 3.729 11.025 1.00 0.28 H new ATOM 0 HA SER A 228 6.484 3.883 13.518 1.00 0.33 H new ATOM 0 HB2 SER A 228 4.376 1.926 12.492 1.00 0.36 H new ATOM 0 HB3 SER A 228 4.844 2.132 14.168 1.00 0.36 H new ATOM 0 HG SER A 228 3.446 3.945 12.467 1.00 1.16 H new ATOM 697 N SER A 229 7.592 1.806 11.437 1.00 0.34 N ATOM 698 CA SER A 229 8.560 0.747 11.206 1.00 0.37 C ATOM 699 C SER A 229 9.973 1.250 11.477 1.00 0.38 C ATOM 700 O SER A 229 10.930 0.476 11.509 1.00 0.42 O ATOM 701 CB SER A 229 8.440 0.223 9.776 1.00 0.34 C ATOM 702 OG SER A 229 7.151 -0.324 9.547 1.00 0.93 O ATOM 0 H SER A 229 7.335 2.335 10.604 1.00 0.34 H new ATOM 0 HA SER A 229 8.351 -0.073 11.893 1.00 0.37 H new ATOM 0 HB2 SER A 229 8.627 1.032 9.070 1.00 0.34 H new ATOM 0 HB3 SER A 229 9.200 -0.538 9.598 1.00 0.34 H new ATOM 0 HG SER A 229 6.474 0.375 9.662 1.00 0.93 H new ATOM 708 N PHE A 230 10.096 2.555 11.670 1.00 0.36 N ATOM 709 CA PHE A 230 11.376 3.154 12.003 1.00 0.39 C ATOM 710 C PHE A 230 11.419 3.483 13.489 1.00 0.52 C ATOM 711 O PHE A 230 11.003 4.596 13.868 1.00 1.20 O ATOM 712 CB PHE A 230 11.615 4.417 11.175 1.00 0.32 C ATOM 713 CG PHE A 230 11.581 4.183 9.691 1.00 0.30 C ATOM 714 CD1 PHE A 230 12.480 3.317 9.091 1.00 1.21 C ATOM 715 CD2 PHE A 230 10.647 4.828 8.900 1.00 1.22 C ATOM 716 CE1 PHE A 230 12.448 3.099 7.729 1.00 1.21 C ATOM 717 CE2 PHE A 230 10.612 4.614 7.537 1.00 1.27 C ATOM 718 CZ PHE A 230 11.514 3.750 6.950 1.00 0.47 C ATOM 719 OXT PHE A 230 11.831 2.607 14.278 1.00 1.24 O ATOM 0 H PHE A 230 9.324 3.218 11.601 1.00 0.36 H new ATOM 0 HA PHE A 230 12.166 2.440 11.770 1.00 0.39 H new ATOM 0 HB2 PHE A 230 10.860 5.159 11.434 1.00 0.32 H new ATOM 0 HB3 PHE A 230 12.583 4.840 11.445 1.00 0.32 H new ATOM 0 HD1 PHE A 230 13.215 2.806 9.696 1.00 1.21 H new ATOM 0 HD2 PHE A 230 9.939 5.505 9.353 1.00 1.22 H new ATOM 0 HE1 PHE A 230 13.153 2.420 7.273 1.00 1.21 H new ATOM 0 HE2 PHE A 230 9.878 5.123 6.929 1.00 1.27 H new ATOM 0 HZ PHE A 230 11.489 3.584 5.883 1.00 0.47 H new ATOM 777 N SER B 190 -14.512 -4.301 -0.047 1.00 0.38 N ATOM 778 CA SER B 190 -14.659 -5.674 -0.524 1.00 0.42 C ATOM 779 C SER B 190 -13.431 -6.132 -1.309 1.00 0.37 C ATOM 780 O SER B 190 -12.893 -7.208 -1.059 1.00 0.39 O ATOM 781 CB SER B 190 -15.915 -5.791 -1.392 1.00 0.54 C ATOM 782 OG SER B 190 -16.162 -7.136 -1.764 1.00 1.24 O ATOM 0 HA SER B 190 -14.756 -6.324 0.346 1.00 0.42 H new ATOM 0 HB2 SER B 190 -16.774 -5.399 -0.847 1.00 0.54 H new ATOM 0 HB3 SER B 190 -15.799 -5.180 -2.287 1.00 0.54 H new ATOM 0 HG SER B 190 -16.971 -7.180 -2.316 1.00 1.24 H new ATOM 788 N VAL B 191 -12.976 -5.302 -2.241 1.00 0.34 N ATOM 789 CA VAL B 191 -11.812 -5.643 -3.049 1.00 0.29 C ATOM 790 C VAL B 191 -10.540 -5.652 -2.204 1.00 0.24 C ATOM 791 O VAL B 191 -9.645 -6.457 -2.431 1.00 0.24 O ATOM 792 CB VAL B 191 -11.643 -4.681 -4.250 1.00 0.29 C ATOM 793 CG1 VAL B 191 -11.541 -3.236 -3.791 1.00 0.34 C ATOM 794 CG2 VAL B 191 -10.424 -5.063 -5.077 1.00 0.30 C ATOM 0 H VAL B 191 -13.392 -4.395 -2.454 1.00 0.34 H new ATOM 0 HA VAL B 191 -11.981 -6.646 -3.441 1.00 0.29 H new ATOM 0 HB VAL B 191 -12.531 -4.773 -4.875 1.00 0.29 H new ATOM 0 HG11 VAL B 191 -11.423 -2.586 -4.658 1.00 0.34 H new ATOM 0 HG12 VAL B 191 -12.447 -2.961 -3.252 1.00 0.34 H new ATOM 0 HG13 VAL B 191 -10.679 -3.123 -3.133 1.00 0.34 H new ATOM 0 HG21 VAL B 191 -10.323 -4.375 -5.916 1.00 0.30 H new ATOM 0 HG22 VAL B 191 -9.531 -5.010 -4.455 1.00 0.30 H new ATOM 0 HG23 VAL B 191 -10.544 -6.079 -5.454 1.00 0.30 H new ATOM 804 N VAL B 192 -10.483 -4.785 -1.203 1.00 0.23 N ATOM 805 CA VAL B 192 -9.311 -4.687 -0.341 1.00 0.20 C ATOM 806 C VAL B 192 -9.189 -5.933 0.527 1.00 0.19 C ATOM 807 O VAL B 192 -8.106 -6.286 0.987 1.00 0.18 O ATOM 808 CB VAL B 192 -9.385 -3.441 0.565 1.00 0.19 C ATOM 809 CG1 VAL B 192 -8.118 -3.287 1.391 1.00 0.16 C ATOM 810 CG2 VAL B 192 -9.629 -2.197 -0.265 1.00 0.22 C ATOM 0 H VAL B 192 -11.235 -4.138 -0.967 1.00 0.23 H new ATOM 0 HA VAL B 192 -8.435 -4.599 -0.984 1.00 0.20 H new ATOM 0 HB VAL B 192 -10.221 -3.574 1.252 1.00 0.19 H new ATOM 0 HG11 VAL B 192 -8.199 -2.400 2.020 1.00 0.16 H new ATOM 0 HG12 VAL B 192 -7.985 -4.167 2.020 1.00 0.16 H new ATOM 0 HG13 VAL B 192 -7.261 -3.183 0.726 1.00 0.16 H new ATOM 0 HG21 VAL B 192 -9.679 -1.327 0.390 1.00 0.22 H new ATOM 0 HG22 VAL B 192 -8.814 -2.069 -0.977 1.00 0.22 H new ATOM 0 HG23 VAL B 192 -10.570 -2.299 -0.805 1.00 0.22 H new ATOM 820 N ALA B 193 -10.305 -6.614 0.718 1.00 0.20 N ATOM 821 CA ALA B 193 -10.348 -7.801 1.552 1.00 0.21 C ATOM 822 C ALA B 193 -9.978 -9.055 0.765 1.00 0.21 C ATOM 823 O ALA B 193 -10.175 -10.173 1.240 1.00 0.23 O ATOM 824 CB ALA B 193 -11.731 -7.954 2.168 1.00 0.23 C ATOM 0 H ALA B 193 -11.201 -6.362 0.302 1.00 0.20 H new ATOM 0 HA ALA B 193 -9.611 -7.680 2.346 1.00 0.21 H new ATOM 0 HB1 ALA B 193 -11.754 -8.847 2.792 1.00 0.23 H new ATOM 0 HB2 ALA B 193 -11.957 -7.079 2.778 1.00 0.23 H new ATOM 0 HB3 ALA B 193 -12.474 -8.045 1.376 1.00 0.23 H new ATOM 830 N THR B 194 -9.444 -8.877 -0.439 1.00 0.21 N ATOM 831 CA THR B 194 -9.151 -10.011 -1.300 1.00 0.22 C ATOM 832 C THR B 194 -7.650 -10.243 -1.394 1.00 0.21 C ATOM 833 O THR B 194 -6.853 -9.319 -1.211 1.00 0.19 O ATOM 834 CB THR B 194 -9.710 -9.816 -2.727 1.00 0.24 C ATOM 835 OG1 THR B 194 -8.999 -8.771 -3.406 1.00 0.23 O ATOM 836 CG2 THR B 194 -11.191 -9.477 -2.688 1.00 0.25 C ATOM 0 H THR B 194 -9.208 -7.967 -0.835 1.00 0.21 H new ATOM 0 HA THR B 194 -9.637 -10.876 -0.849 1.00 0.22 H new ATOM 0 HB THR B 194 -9.577 -10.753 -3.268 1.00 0.24 H new ATOM 0 HG1 THR B 194 -9.426 -7.909 -3.219 1.00 0.23 H new ATOM 0 HG21 THR B 194 -11.561 -9.345 -3.705 1.00 0.25 H new ATOM 0 HG22 THR B 194 -11.737 -10.288 -2.206 1.00 0.25 H new ATOM 0 HG23 THR B 194 -11.339 -8.555 -2.125 1.00 0.25 H new ATOM 844 N GLU B 195 -7.275 -11.477 -1.697 1.00 0.25 N ATOM 845 CA GLU B 195 -5.880 -11.811 -1.930 1.00 0.26 C ATOM 846 C GLU B 195 -5.395 -11.092 -3.175 1.00 0.20 C ATOM 847 O GLU B 195 -4.238 -10.711 -3.274 1.00 0.19 O ATOM 848 CB GLU B 195 -5.691 -13.316 -2.103 1.00 0.36 C ATOM 849 CG GLU B 195 -6.094 -14.135 -0.892 1.00 0.83 C ATOM 850 CD GLU B 195 -5.794 -15.608 -1.069 1.00 1.69 C ATOM 851 OE1 GLU B 195 -6.624 -16.328 -1.665 1.00 2.24 O ATOM 852 OE2 GLU B 195 -4.719 -16.058 -0.622 1.00 2.46 O ATOM 0 H GLU B 195 -7.919 -12.263 -1.787 1.00 0.25 H new ATOM 0 HA GLU B 195 -5.301 -11.495 -1.063 1.00 0.26 H new ATOM 0 HB2 GLU B 195 -6.273 -13.648 -2.963 1.00 0.36 H new ATOM 0 HB3 GLU B 195 -4.644 -13.516 -2.331 1.00 0.36 H new ATOM 0 HG2 GLU B 195 -5.568 -13.762 -0.013 1.00 0.83 H new ATOM 0 HG3 GLU B 195 -7.160 -14.003 -0.705 1.00 0.83 H new ATOM 859 N ALA B 196 -6.311 -10.923 -4.122 1.00 0.21 N ATOM 860 CA ALA B 196 -6.030 -10.235 -5.374 1.00 0.22 C ATOM 861 C ALA B 196 -5.559 -8.803 -5.141 1.00 0.17 C ATOM 862 O ALA B 196 -4.622 -8.340 -5.790 1.00 0.17 O ATOM 863 CB ALA B 196 -7.264 -10.243 -6.261 1.00 0.27 C ATOM 0 H ALA B 196 -7.270 -11.260 -4.042 1.00 0.21 H new ATOM 0 HA ALA B 196 -5.222 -10.770 -5.872 1.00 0.22 H new ATOM 0 HB1 ALA B 196 -7.044 -9.726 -7.195 1.00 0.27 H new ATOM 0 HB2 ALA B 196 -7.552 -11.272 -6.475 1.00 0.27 H new ATOM 0 HB3 ALA B 196 -8.083 -9.736 -5.750 1.00 0.27 H new ATOM 869 N PHE B 197 -6.197 -8.102 -4.210 1.00 0.14 N ATOM 870 CA PHE B 197 -5.824 -6.722 -3.934 1.00 0.12 C ATOM 871 C PHE B 197 -4.412 -6.651 -3.391 1.00 0.11 C ATOM 872 O PHE B 197 -3.597 -5.879 -3.878 1.00 0.12 O ATOM 873 CB PHE B 197 -6.780 -6.063 -2.939 1.00 0.10 C ATOM 874 CG PHE B 197 -6.257 -4.755 -2.408 1.00 0.10 C ATOM 875 CD1 PHE B 197 -6.274 -3.616 -3.193 1.00 0.17 C ATOM 876 CD2 PHE B 197 -5.727 -4.673 -1.130 1.00 0.14 C ATOM 877 CE1 PHE B 197 -5.772 -2.422 -2.714 1.00 0.22 C ATOM 878 CE2 PHE B 197 -5.228 -3.481 -0.647 1.00 0.15 C ATOM 879 CZ PHE B 197 -5.250 -2.354 -1.440 1.00 0.17 C ATOM 0 H PHE B 197 -6.964 -8.461 -3.642 1.00 0.14 H new ATOM 0 HA PHE B 197 -5.883 -6.181 -4.878 1.00 0.12 H new ATOM 0 HB2 PHE B 197 -7.742 -5.895 -3.423 1.00 0.10 H new ATOM 0 HB3 PHE B 197 -6.957 -6.744 -2.106 1.00 0.10 H new ATOM 0 HD1 PHE B 197 -6.684 -3.661 -4.191 1.00 0.17 H new ATOM 0 HD2 PHE B 197 -5.704 -5.553 -0.505 1.00 0.14 H new ATOM 0 HE1 PHE B 197 -5.788 -1.541 -3.338 1.00 0.22 H new ATOM 0 HE2 PHE B 197 -4.820 -3.431 0.352 1.00 0.15 H new ATOM 0 HZ PHE B 197 -4.859 -1.420 -1.064 1.00 0.17 H new ATOM 889 N TRP B 198 -4.136 -7.458 -2.383 1.00 0.10 N ATOM 890 CA TRP B 198 -2.833 -7.450 -1.738 1.00 0.11 C ATOM 891 C TRP B 198 -1.763 -8.003 -2.666 1.00 0.12 C ATOM 892 O TRP B 198 -0.594 -7.632 -2.572 1.00 0.13 O ATOM 893 CB TRP B 198 -2.891 -8.211 -0.415 1.00 0.11 C ATOM 894 CG TRP B 198 -3.803 -7.540 0.566 1.00 0.11 C ATOM 895 CD1 TRP B 198 -5.038 -7.961 0.964 1.00 0.12 C ATOM 896 CD2 TRP B 198 -3.563 -6.300 1.240 1.00 0.12 C ATOM 897 NE1 TRP B 198 -5.579 -7.059 1.847 1.00 0.13 N ATOM 898 CE2 TRP B 198 -4.693 -6.031 2.034 1.00 0.13 C ATOM 899 CE3 TRP B 198 -2.501 -5.392 1.248 1.00 0.13 C ATOM 900 CZ2 TRP B 198 -4.790 -4.891 2.829 1.00 0.15 C ATOM 901 CZ3 TRP B 198 -2.598 -4.262 2.037 1.00 0.16 C ATOM 902 CH2 TRP B 198 -3.735 -4.019 2.817 1.00 0.16 C ATOM 0 H TRP B 198 -4.797 -8.129 -1.992 1.00 0.10 H new ATOM 0 HA TRP B 198 -2.559 -6.419 -1.515 1.00 0.11 H new ATOM 0 HB2 TRP B 198 -3.235 -9.230 -0.595 1.00 0.11 H new ATOM 0 HB3 TRP B 198 -1.889 -8.283 0.009 1.00 0.11 H new ATOM 0 HD1 TRP B 198 -5.519 -8.870 0.633 1.00 0.12 H new ATOM 0 HE1 TRP B 198 -6.493 -7.141 2.292 1.00 0.13 H new ATOM 0 HE3 TRP B 198 -1.621 -5.570 0.648 1.00 0.13 H new ATOM 0 HZ2 TRP B 198 -5.665 -4.702 3.433 1.00 0.15 H new ATOM 0 HZ3 TRP B 198 -1.783 -3.554 2.052 1.00 0.16 H new ATOM 0 HH2 TRP B 198 -3.781 -3.125 3.422 1.00 0.16 H new ATOM 913 N ASP B 199 -2.171 -8.885 -3.562 1.00 0.13 N ATOM 914 CA ASP B 199 -1.281 -9.418 -4.582 1.00 0.16 C ATOM 915 C ASP B 199 -0.816 -8.311 -5.513 1.00 0.14 C ATOM 916 O ASP B 199 0.379 -8.157 -5.759 1.00 0.14 O ATOM 917 CB ASP B 199 -1.988 -10.511 -5.386 1.00 0.22 C ATOM 918 CG ASP B 199 -1.167 -10.997 -6.561 1.00 0.31 C ATOM 919 OD1 ASP B 199 -0.259 -11.827 -6.353 1.00 0.99 O ATOM 920 OD2 ASP B 199 -1.432 -10.561 -7.702 1.00 1.25 O ATOM 0 H ASP B 199 -3.122 -9.251 -3.604 1.00 0.13 H new ATOM 0 HA ASP B 199 -0.411 -9.849 -4.087 1.00 0.16 H new ATOM 0 HB2 ASP B 199 -2.209 -11.353 -4.730 1.00 0.22 H new ATOM 0 HB3 ASP B 199 -2.943 -10.130 -5.748 1.00 0.22 H new ATOM 925 N ASP B 200 -1.763 -7.530 -6.016 1.00 0.16 N ATOM 926 CA ASP B 200 -1.443 -6.422 -6.908 1.00 0.18 C ATOM 927 C ASP B 200 -0.757 -5.296 -6.149 1.00 0.14 C ATOM 928 O ASP B 200 0.095 -4.597 -6.694 1.00 0.16 O ATOM 929 CB ASP B 200 -2.698 -5.887 -7.596 1.00 0.24 C ATOM 930 CG ASP B 200 -3.220 -6.807 -8.676 1.00 0.55 C ATOM 931 OD1 ASP B 200 -2.537 -6.965 -9.709 1.00 1.37 O ATOM 932 OD2 ASP B 200 -4.332 -7.352 -8.514 1.00 1.12 O ATOM 0 H ASP B 200 -2.758 -7.643 -5.822 1.00 0.16 H new ATOM 0 HA ASP B 200 -0.763 -6.803 -7.670 1.00 0.18 H new ATOM 0 HB2 ASP B 200 -3.477 -5.734 -6.849 1.00 0.24 H new ATOM 0 HB3 ASP B 200 -2.479 -4.912 -8.032 1.00 0.24 H new ATOM 937 N LEU B 201 -1.152 -5.117 -4.896 1.00 0.12 N ATOM 938 CA LEU B 201 -0.552 -4.115 -4.025 1.00 0.11 C ATOM 939 C LEU B 201 0.937 -4.400 -3.862 1.00 0.11 C ATOM 940 O LEU B 201 1.773 -3.512 -4.040 1.00 0.13 O ATOM 941 CB LEU B 201 -1.276 -4.127 -2.664 1.00 0.10 C ATOM 942 CG LEU B 201 -1.031 -2.937 -1.720 1.00 0.10 C ATOM 943 CD1 LEU B 201 0.333 -3.024 -1.056 1.00 0.17 C ATOM 944 CD2 LEU B 201 -1.177 -1.621 -2.466 1.00 0.13 C ATOM 0 H LEU B 201 -1.895 -5.660 -4.456 1.00 0.12 H new ATOM 0 HA LEU B 201 -0.659 -3.124 -4.465 1.00 0.11 H new ATOM 0 HB2 LEU B 201 -2.348 -4.191 -2.853 1.00 0.10 H new ATOM 0 HB3 LEU B 201 -0.990 -5.038 -2.138 1.00 0.10 H new ATOM 0 HG LEU B 201 -1.786 -2.978 -0.935 1.00 0.10 H new ATOM 0 HD11 LEU B 201 0.472 -2.167 -0.396 1.00 0.17 H new ATOM 0 HD12 LEU B 201 0.397 -3.944 -0.475 1.00 0.17 H new ATOM 0 HD13 LEU B 201 1.110 -3.023 -1.820 1.00 0.17 H new ATOM 0 HD21 LEU B 201 -1.000 -0.792 -1.780 1.00 0.13 H new ATOM 0 HD22 LEU B 201 -0.452 -1.581 -3.279 1.00 0.13 H new ATOM 0 HD23 LEU B 201 -2.184 -1.544 -2.875 1.00 0.13 H new ATOM 956 N GLN B 202 1.270 -5.651 -3.571 1.00 0.11 N ATOM 957 CA GLN B 202 2.660 -6.042 -3.458 1.00 0.12 C ATOM 958 C GLN B 202 3.335 -5.998 -4.819 1.00 0.12 C ATOM 959 O GLN B 202 4.502 -5.657 -4.917 1.00 0.13 O ATOM 960 CB GLN B 202 2.814 -7.430 -2.847 1.00 0.15 C ATOM 961 CG GLN B 202 4.254 -7.906 -2.878 1.00 0.21 C ATOM 962 CD GLN B 202 4.467 -9.231 -2.192 1.00 0.25 C ATOM 963 OE1 GLN B 202 3.797 -9.555 -1.216 1.00 0.71 O ATOM 964 NE2 GLN B 202 5.398 -10.007 -2.711 1.00 0.40 N ATOM 0 H GLN B 202 0.600 -6.403 -3.411 1.00 0.11 H new ATOM 0 HA GLN B 202 3.143 -5.329 -2.790 1.00 0.12 H new ATOM 0 HB2 GLN B 202 2.459 -7.414 -1.817 1.00 0.15 H new ATOM 0 HB3 GLN B 202 2.186 -8.137 -3.390 1.00 0.15 H new ATOM 0 HG2 GLN B 202 4.579 -7.987 -3.915 1.00 0.21 H new ATOM 0 HG3 GLN B 202 4.886 -7.155 -2.404 1.00 0.21 H new ATOM 0 HE21 GLN B 202 5.929 -9.693 -3.523 1.00 0.40 H new ATOM 0 HE22 GLN B 202 5.587 -10.921 -2.300 1.00 0.40 H new ATOM 973 N GLY B 203 2.593 -6.341 -5.865 1.00 0.14 N ATOM 974 CA GLY B 203 3.127 -6.265 -7.213 1.00 0.16 C ATOM 975 C GLY B 203 3.593 -4.864 -7.554 1.00 0.15 C ATOM 976 O GLY B 203 4.665 -4.676 -8.136 1.00 0.15 O ATOM 0 H GLY B 203 1.630 -6.671 -5.804 1.00 0.14 H new ATOM 0 HA2 GLY B 203 3.960 -6.960 -7.314 1.00 0.16 H new ATOM 0 HA3 GLY B 203 2.363 -6.578 -7.925 1.00 0.16 H new ATOM 980 N PHE B 204 2.799 -3.878 -7.154 1.00 0.15 N ATOM 981 CA PHE B 204 3.141 -2.485 -7.369 1.00 0.17 C ATOM 982 C PHE B 204 4.339 -2.115 -6.517 1.00 0.17 C ATOM 983 O PHE B 204 5.215 -1.370 -6.947 1.00 0.18 O ATOM 984 CB PHE B 204 1.959 -1.571 -7.028 1.00 0.20 C ATOM 985 CG PHE B 204 2.340 -0.118 -6.976 1.00 0.22 C ATOM 986 CD1 PHE B 204 2.586 0.593 -8.138 1.00 1.24 C ATOM 987 CD2 PHE B 204 2.477 0.528 -5.757 1.00 1.19 C ATOM 988 CE1 PHE B 204 2.964 1.921 -8.086 1.00 1.26 C ATOM 989 CE2 PHE B 204 2.849 1.855 -5.699 1.00 1.20 C ATOM 990 CZ PHE B 204 3.095 2.551 -6.863 1.00 0.32 C ATOM 0 H PHE B 204 1.909 -4.023 -6.676 1.00 0.15 H new ATOM 0 HA PHE B 204 3.386 -2.350 -8.422 1.00 0.17 H new ATOM 0 HB2 PHE B 204 1.173 -1.709 -7.771 1.00 0.20 H new ATOM 0 HB3 PHE B 204 1.543 -1.867 -6.065 1.00 0.20 H new ATOM 0 HD1 PHE B 204 2.481 0.104 -9.095 1.00 1.24 H new ATOM 0 HD2 PHE B 204 2.290 -0.014 -4.842 1.00 1.19 H new ATOM 0 HE1 PHE B 204 3.157 2.465 -8.999 1.00 1.26 H new ATOM 0 HE2 PHE B 204 2.947 2.348 -4.743 1.00 1.20 H new ATOM 0 HZ PHE B 204 3.390 3.589 -6.819 1.00 0.32 H new ATOM 1000 N LEU B 205 4.377 -2.654 -5.310 1.00 0.16 N ATOM 1001 CA LEU B 205 5.472 -2.393 -4.396 1.00 0.17 C ATOM 1002 C LEU B 205 6.769 -2.990 -4.927 1.00 0.18 C ATOM 1003 O LEU B 205 7.828 -2.401 -4.784 1.00 0.20 O ATOM 1004 CB LEU B 205 5.156 -2.958 -3.010 1.00 0.17 C ATOM 1005 CG LEU B 205 4.529 -1.977 -2.012 1.00 0.17 C ATOM 1006 CD1 LEU B 205 3.416 -1.164 -2.654 1.00 0.18 C ATOM 1007 CD2 LEU B 205 3.993 -2.737 -0.813 1.00 0.15 C ATOM 0 H LEU B 205 3.659 -3.277 -4.941 1.00 0.16 H new ATOM 0 HA LEU B 205 5.599 -1.314 -4.312 1.00 0.17 H new ATOM 0 HB2 LEU B 205 4.480 -3.805 -3.130 1.00 0.17 H new ATOM 0 HB3 LEU B 205 6.079 -3.345 -2.578 1.00 0.17 H new ATOM 0 HG LEU B 205 5.304 -1.283 -1.688 1.00 0.17 H new ATOM 0 HD11 LEU B 205 2.994 -0.479 -1.918 1.00 0.18 H new ATOM 0 HD12 LEU B 205 3.818 -0.594 -3.491 1.00 0.18 H new ATOM 0 HD13 LEU B 205 2.636 -1.835 -3.014 1.00 0.18 H new ATOM 0 HD21 LEU B 205 3.549 -2.036 -0.107 1.00 0.15 H new ATOM 0 HD22 LEU B 205 3.236 -3.449 -1.142 1.00 0.15 H new ATOM 0 HD23 LEU B 205 4.809 -3.273 -0.328 1.00 0.15 H new ATOM 1019 N GLU B 206 6.679 -4.154 -5.550 1.00 0.17 N ATOM 1020 CA GLU B 206 7.838 -4.794 -6.146 1.00 0.20 C ATOM 1021 C GLU B 206 8.392 -3.945 -7.280 1.00 0.22 C ATOM 1022 O GLU B 206 9.594 -3.697 -7.351 1.00 0.25 O ATOM 1023 CB GLU B 206 7.473 -6.186 -6.672 1.00 0.21 C ATOM 1024 CG GLU B 206 7.169 -7.204 -5.583 1.00 0.24 C ATOM 1025 CD GLU B 206 6.784 -8.559 -6.144 1.00 0.30 C ATOM 1026 OE1 GLU B 206 7.258 -8.906 -7.249 1.00 1.14 O ATOM 1027 OE2 GLU B 206 6.007 -9.289 -5.488 1.00 1.12 O ATOM 0 H GLU B 206 5.809 -4.677 -5.656 1.00 0.17 H new ATOM 0 HA GLU B 206 8.602 -4.897 -5.375 1.00 0.20 H new ATOM 0 HB2 GLU B 206 6.605 -6.099 -7.325 1.00 0.21 H new ATOM 0 HB3 GLU B 206 8.295 -6.559 -7.283 1.00 0.21 H new ATOM 0 HG2 GLU B 206 8.043 -7.315 -4.941 1.00 0.24 H new ATOM 0 HG3 GLU B 206 6.359 -6.830 -4.957 1.00 0.24 H new ATOM 1034 N GLN B 207 7.507 -3.494 -8.161 1.00 0.22 N ATOM 1035 CA GLN B 207 7.911 -2.690 -9.308 1.00 0.26 C ATOM 1036 C GLN B 207 8.459 -1.328 -8.884 1.00 0.27 C ATOM 1037 O GLN B 207 9.467 -0.864 -9.409 1.00 0.28 O ATOM 1038 CB GLN B 207 6.734 -2.501 -10.263 1.00 0.35 C ATOM 1039 CG GLN B 207 6.202 -3.808 -10.823 1.00 0.41 C ATOM 1040 CD GLN B 207 5.090 -3.601 -11.831 1.00 0.54 C ATOM 1041 OE1 GLN B 207 3.916 -3.552 -11.475 1.00 0.79 O ATOM 1042 NE2 GLN B 207 5.452 -3.484 -13.096 1.00 1.13 N ATOM 0 H GLN B 207 6.504 -3.672 -8.103 1.00 0.22 H new ATOM 0 HA GLN B 207 8.711 -3.228 -9.817 1.00 0.26 H new ATOM 0 HB2 GLN B 207 5.930 -1.983 -9.740 1.00 0.35 H new ATOM 0 HB3 GLN B 207 7.043 -1.859 -11.088 1.00 0.35 H new ATOM 0 HG2 GLN B 207 7.018 -4.355 -11.295 1.00 0.41 H new ATOM 0 HG3 GLN B 207 5.835 -4.427 -10.004 1.00 0.41 H new ATOM 0 HE21 GLN B 207 6.439 -3.530 -13.350 1.00 1.13 H new ATOM 0 HE22 GLN B 207 4.745 -3.347 -13.818 1.00 1.13 H new ATOM 1051 N ARG B 208 7.789 -0.692 -7.934 1.00 0.29 N ATOM 1052 CA ARG B 208 8.157 0.651 -7.504 1.00 0.35 C ATOM 1053 C ARG B 208 9.413 0.630 -6.629 1.00 0.36 C ATOM 1054 O ARG B 208 10.346 1.403 -6.846 1.00 0.42 O ATOM 1055 CB ARG B 208 6.990 1.282 -6.738 1.00 0.40 C ATOM 1056 CG ARG B 208 7.012 2.801 -6.697 1.00 0.71 C ATOM 1057 CD ARG B 208 6.983 3.394 -8.096 1.00 0.48 C ATOM 1058 NE ARG B 208 6.608 4.808 -8.092 1.00 1.26 N ATOM 1059 CZ ARG B 208 7.454 5.813 -8.312 1.00 1.29 C ATOM 1060 NH1 ARG B 208 8.745 5.573 -8.516 1.00 1.59 N ATOM 1061 NH2 ARG B 208 7.001 7.061 -8.343 1.00 1.98 N ATOM 0 H ARG B 208 6.985 -1.085 -7.444 1.00 0.29 H new ATOM 0 HA ARG B 208 8.378 1.248 -8.389 1.00 0.35 H new ATOM 0 HB2 ARG B 208 6.055 0.957 -7.193 1.00 0.40 H new ATOM 0 HB3 ARG B 208 6.995 0.903 -5.716 1.00 0.40 H new ATOM 0 HG2 ARG B 208 6.155 3.164 -6.129 1.00 0.71 H new ATOM 0 HG3 ARG B 208 7.907 3.139 -6.175 1.00 0.71 H new ATOM 0 HD2 ARG B 208 7.965 3.282 -8.556 1.00 0.48 H new ATOM 0 HD3 ARG B 208 6.277 2.835 -8.711 1.00 0.48 H new ATOM 0 HE ARG B 208 5.632 5.040 -7.908 1.00 1.26 H new ATOM 0 HH11 ARG B 208 9.094 4.614 -8.505 1.00 1.59 H new ATOM 0 HH12 ARG B 208 9.387 6.347 -8.684 1.00 1.59 H new ATOM 0 HH21 ARG B 208 6.009 7.247 -8.199 1.00 1.98 H new ATOM 0 HH22 ARG B 208 7.646 7.833 -8.511 1.00 1.98 H new ATOM 1075 N LEU B 209 9.420 -0.257 -5.645 1.00 0.33 N ATOM 1076 CA LEU B 209 10.514 -0.344 -4.678 1.00 0.36 C ATOM 1077 C LEU B 209 11.732 -1.041 -5.253 1.00 0.39 C ATOM 1078 O LEU B 209 12.846 -0.862 -4.756 1.00 0.45 O ATOM 1079 CB LEU B 209 10.071 -1.090 -3.417 1.00 0.33 C ATOM 1080 CG LEU B 209 9.260 -0.283 -2.400 1.00 0.33 C ATOM 1081 CD1 LEU B 209 8.115 0.456 -3.063 1.00 0.34 C ATOM 1082 CD2 LEU B 209 8.727 -1.201 -1.318 1.00 0.38 C ATOM 0 H LEU B 209 8.674 -0.935 -5.491 1.00 0.33 H new ATOM 0 HA LEU B 209 10.785 0.682 -4.428 1.00 0.36 H new ATOM 0 HB2 LEU B 209 9.477 -1.952 -3.721 1.00 0.33 H new ATOM 0 HB3 LEU B 209 10.960 -1.475 -2.917 1.00 0.33 H new ATOM 0 HG LEU B 209 9.923 0.458 -1.954 1.00 0.33 H new ATOM 0 HD11 LEU B 209 7.561 1.018 -2.311 1.00 0.34 H new ATOM 0 HD12 LEU B 209 8.510 1.143 -3.812 1.00 0.34 H new ATOM 0 HD13 LEU B 209 7.449 -0.261 -3.544 1.00 0.34 H new ATOM 0 HD21 LEU B 209 8.151 -0.619 -0.598 1.00 0.38 H new ATOM 0 HD22 LEU B 209 8.086 -1.959 -1.767 1.00 0.38 H new ATOM 0 HD23 LEU B 209 9.560 -1.686 -0.809 1.00 0.38 H new ATOM 1094 N LYS B 210 11.498 -1.835 -6.295 1.00 0.36 N ATOM 1095 CA LYS B 210 12.538 -2.631 -6.936 1.00 0.40 C ATOM 1096 C LYS B 210 13.109 -3.655 -5.959 1.00 0.38 C ATOM 1097 O LYS B 210 14.284 -4.014 -6.035 1.00 0.42 O ATOM 1098 CB LYS B 210 13.658 -1.739 -7.485 1.00 0.49 C ATOM 1099 CG LYS B 210 13.193 -0.742 -8.535 1.00 0.90 C ATOM 1100 CD LYS B 210 12.574 -1.437 -9.736 1.00 1.06 C ATOM 1101 CE LYS B 210 12.152 -0.437 -10.799 1.00 1.62 C ATOM 1102 NZ LYS B 210 11.360 -1.078 -11.881 1.00 2.19 N ATOM 0 H LYS B 210 10.577 -1.944 -6.719 1.00 0.36 H new ATOM 0 HA LYS B 210 12.084 -3.161 -7.773 1.00 0.40 H new ATOM 0 HB2 LYS B 210 14.114 -1.195 -6.658 1.00 0.49 H new ATOM 0 HB3 LYS B 210 14.434 -2.371 -7.917 1.00 0.49 H new ATOM 0 HG2 LYS B 210 12.465 -0.062 -8.093 1.00 0.90 H new ATOM 0 HG3 LYS B 210 14.038 -0.136 -8.861 1.00 0.90 H new ATOM 0 HD2 LYS B 210 13.290 -2.141 -10.160 1.00 1.06 H new ATOM 0 HD3 LYS B 210 11.708 -2.017 -9.416 1.00 1.06 H new ATOM 0 HE2 LYS B 210 11.562 0.355 -10.338 1.00 1.62 H new ATOM 0 HE3 LYS B 210 13.037 0.033 -11.227 1.00 1.62 H new ATOM 0 HZ1 LYS B 210 11.280 -0.425 -12.686 1.00 2.19 H new ATOM 0 HZ2 LYS B 210 11.835 -1.950 -12.189 1.00 2.19 H new ATOM 0 HZ3 LYS B 210 10.410 -1.308 -11.526 1.00 2.19 H new ATOM 1116 N ASP B 211 12.260 -4.141 -5.055 1.00 0.34 N ATOM 1117 CA ASP B 211 12.689 -5.073 -4.017 1.00 0.34 C ATOM 1118 C ASP B 211 11.512 -5.913 -3.543 1.00 0.31 C ATOM 1119 O ASP B 211 10.524 -5.386 -3.035 1.00 0.31 O ATOM 1120 CB ASP B 211 13.290 -4.321 -2.829 1.00 0.37 C ATOM 1121 CG ASP B 211 13.847 -5.261 -1.778 1.00 0.39 C ATOM 1122 OD1 ASP B 211 14.955 -5.802 -1.982 1.00 1.11 O ATOM 1123 OD2 ASP B 211 13.178 -5.478 -0.750 1.00 1.06 O ATOM 0 H ASP B 211 11.269 -3.903 -5.022 1.00 0.34 H new ATOM 0 HA ASP B 211 13.451 -5.726 -4.443 1.00 0.34 H new ATOM 0 HB2 ASP B 211 14.084 -3.662 -3.182 1.00 0.37 H new ATOM 0 HB3 ASP B 211 12.526 -3.687 -2.379 1.00 0.37 H new ATOM 1128 N TYR B 212 11.621 -7.221 -3.728 1.00 0.30 N ATOM 1129 CA TYR B 212 10.573 -8.158 -3.349 1.00 0.29 C ATOM 1130 C TYR B 212 10.402 -8.245 -1.837 1.00 0.30 C ATOM 1131 O TYR B 212 9.277 -8.319 -1.339 1.00 0.29 O ATOM 1132 CB TYR B 212 10.904 -9.540 -3.927 1.00 0.32 C ATOM 1133 CG TYR B 212 10.087 -10.673 -3.347 1.00 0.37 C ATOM 1134 CD1 TYR B 212 8.807 -10.942 -3.806 1.00 1.12 C ATOM 1135 CD2 TYR B 212 10.606 -11.475 -2.336 1.00 1.35 C ATOM 1136 CE1 TYR B 212 8.065 -11.980 -3.272 1.00 1.15 C ATOM 1137 CE2 TYR B 212 9.871 -12.511 -1.801 1.00 1.41 C ATOM 1138 CZ TYR B 212 8.602 -12.760 -2.270 1.00 0.60 C ATOM 1139 OH TYR B 212 7.866 -13.791 -1.737 1.00 0.74 O ATOM 0 H TYR B 212 12.440 -7.663 -4.146 1.00 0.30 H new ATOM 0 HA TYR B 212 9.628 -7.797 -3.756 1.00 0.29 H new ATOM 0 HB2 TYR B 212 10.752 -9.515 -5.006 1.00 0.32 H new ATOM 0 HB3 TYR B 212 11.961 -9.747 -3.758 1.00 0.32 H new ATOM 0 HD1 TYR B 212 8.383 -10.333 -4.591 1.00 1.12 H new ATOM 0 HD2 TYR B 212 11.602 -11.283 -1.964 1.00 1.35 H new ATOM 0 HE1 TYR B 212 7.069 -12.179 -3.639 1.00 1.15 H new ATOM 0 HE2 TYR B 212 10.290 -13.125 -1.017 1.00 1.41 H new ATOM 0 HH TYR B 212 8.390 -14.242 -1.042 1.00 0.74 H new ATOM 1149 N ASP B 213 11.512 -8.234 -1.110 1.00 0.34 N ATOM 1150 CA ASP B 213 11.477 -8.437 0.336 1.00 0.38 C ATOM 1151 C ASP B 213 10.684 -7.341 1.025 1.00 0.33 C ATOM 1152 O ASP B 213 9.765 -7.621 1.797 1.00 0.30 O ATOM 1153 CB ASP B 213 12.891 -8.486 0.922 1.00 0.49 C ATOM 1154 CG ASP B 213 13.660 -9.726 0.515 1.00 1.14 C ATOM 1155 OD1 ASP B 213 13.390 -10.812 1.073 1.00 2.00 O ATOM 1156 OD2 ASP B 213 14.550 -9.619 -0.358 1.00 1.62 O ATOM 0 H ASP B 213 12.445 -8.087 -1.494 1.00 0.34 H new ATOM 0 HA ASP B 213 10.986 -9.394 0.513 1.00 0.38 H new ATOM 0 HB2 ASP B 213 13.442 -7.602 0.600 1.00 0.49 H new ATOM 0 HB3 ASP B 213 12.829 -8.445 2.009 1.00 0.49 H new ATOM 1161 N GLU B 214 11.015 -6.095 0.722 1.00 0.34 N ATOM 1162 CA GLU B 214 10.361 -4.961 1.356 1.00 0.34 C ATOM 1163 C GLU B 214 8.929 -4.828 0.859 1.00 0.26 C ATOM 1164 O GLU B 214 8.056 -4.349 1.575 1.00 0.25 O ATOM 1165 CB GLU B 214 11.133 -3.674 1.082 1.00 0.44 C ATOM 1166 CG GLU B 214 10.752 -2.537 2.016 1.00 0.56 C ATOM 1167 CD GLU B 214 11.032 -2.869 3.469 1.00 0.75 C ATOM 1168 OE1 GLU B 214 12.217 -2.852 3.868 1.00 1.25 O ATOM 1169 OE2 GLU B 214 10.077 -3.140 4.217 1.00 1.48 O ATOM 0 H GLU B 214 11.732 -5.844 0.042 1.00 0.34 H new ATOM 0 HA GLU B 214 10.344 -5.134 2.432 1.00 0.34 H new ATOM 0 HB2 GLU B 214 12.201 -3.871 1.177 1.00 0.44 H new ATOM 0 HB3 GLU B 214 10.956 -3.364 0.052 1.00 0.44 H new ATOM 0 HG2 GLU B 214 11.305 -1.640 1.737 1.00 0.56 H new ATOM 0 HG3 GLU B 214 9.693 -2.309 1.895 1.00 0.56 H new ATOM 1176 N ALA B 215 8.689 -5.281 -0.363 1.00 0.21 N ATOM 1177 CA ALA B 215 7.359 -5.222 -0.947 1.00 0.17 C ATOM 1178 C ALA B 215 6.424 -6.162 -0.204 1.00 0.16 C ATOM 1179 O ALA B 215 5.271 -5.832 0.080 1.00 0.15 O ATOM 1180 CB ALA B 215 7.414 -5.591 -2.420 1.00 0.16 C ATOM 0 H ALA B 215 9.399 -5.693 -0.969 1.00 0.21 H new ATOM 0 HA ALA B 215 6.980 -4.204 -0.858 1.00 0.17 H new ATOM 0 HB1 ALA B 215 6.411 -5.543 -2.845 1.00 0.16 H new ATOM 0 HB2 ALA B 215 8.065 -4.893 -2.946 1.00 0.16 H new ATOM 0 HB3 ALA B 215 7.805 -6.603 -2.527 1.00 0.16 H new ATOM 1186 N ASN B 216 6.948 -7.332 0.123 1.00 0.17 N ATOM 1187 CA ASN B 216 6.197 -8.336 0.859 1.00 0.19 C ATOM 1188 C ASN B 216 5.965 -7.861 2.287 1.00 0.18 C ATOM 1189 O ASN B 216 4.852 -7.941 2.812 1.00 0.19 O ATOM 1190 CB ASN B 216 6.965 -9.659 0.864 1.00 0.22 C ATOM 1191 CG ASN B 216 6.176 -10.802 1.478 1.00 0.33 C ATOM 1192 OD1 ASN B 216 6.740 -11.663 2.157 1.00 0.63 O ATOM 1193 ND2 ASN B 216 4.881 -10.841 1.221 1.00 0.35 N ATOM 0 H ASN B 216 7.900 -7.612 -0.113 1.00 0.17 H new ATOM 0 HA ASN B 216 5.233 -8.489 0.375 1.00 0.19 H new ATOM 0 HB2 ASN B 216 7.235 -9.920 -0.159 1.00 0.22 H new ATOM 0 HB3 ASN B 216 7.896 -9.530 1.416 1.00 0.22 H new ATOM 0 HD21 ASN B 216 4.311 -11.603 1.589 1.00 0.35 H new ATOM 0 HD22 ASN B 216 4.451 -10.109 0.655 1.00 0.35 H new ATOM 1200 N LYS B 217 7.025 -7.344 2.894 1.00 0.19 N ATOM 1201 CA LYS B 217 6.968 -6.832 4.257 1.00 0.19 C ATOM 1202 C LYS B 217 5.952 -5.706 4.381 1.00 0.17 C ATOM 1203 O LYS B 217 5.201 -5.640 5.352 1.00 0.18 O ATOM 1204 CB LYS B 217 8.345 -6.334 4.686 1.00 0.22 C ATOM 1205 CG LYS B 217 9.352 -7.448 4.922 1.00 0.26 C ATOM 1206 CD LYS B 217 10.768 -6.909 5.068 1.00 0.37 C ATOM 1207 CE LYS B 217 10.868 -5.857 6.161 1.00 1.15 C ATOM 1208 NZ LYS B 217 10.450 -6.382 7.490 1.00 1.97 N ATOM 0 H LYS B 217 7.944 -7.268 2.458 1.00 0.19 H new ATOM 0 HA LYS B 217 6.656 -7.647 4.910 1.00 0.19 H new ATOM 0 HB2 LYS B 217 8.733 -5.662 3.921 1.00 0.22 H new ATOM 0 HB3 LYS B 217 8.242 -5.750 5.601 1.00 0.22 H new ATOM 0 HG2 LYS B 217 9.079 -8.000 5.821 1.00 0.26 H new ATOM 0 HG3 LYS B 217 9.315 -8.153 4.091 1.00 0.26 H new ATOM 0 HD2 LYS B 217 11.447 -7.731 5.293 1.00 0.37 H new ATOM 0 HD3 LYS B 217 11.091 -6.479 4.120 1.00 0.37 H new ATOM 0 HE2 LYS B 217 11.895 -5.496 6.222 1.00 1.15 H new ATOM 0 HE3 LYS B 217 10.245 -5.002 5.898 1.00 1.15 H new ATOM 0 HZ1 LYS B 217 10.631 -5.663 8.220 1.00 1.97 H new ATOM 0 HZ2 LYS B 217 9.435 -6.608 7.470 1.00 1.97 H new ATOM 0 HZ3 LYS B 217 10.992 -7.242 7.710 1.00 1.97 H new ATOM 1222 N LEU B 218 5.911 -4.839 3.381 1.00 0.15 N ATOM 1223 CA LEU B 218 4.986 -3.719 3.401 1.00 0.15 C ATOM 1224 C LEU B 218 3.566 -4.204 3.159 1.00 0.13 C ATOM 1225 O LEU B 218 2.629 -3.686 3.742 1.00 0.13 O ATOM 1226 CB LEU B 218 5.374 -2.655 2.380 1.00 0.15 C ATOM 1227 CG LEU B 218 6.576 -1.789 2.758 1.00 0.17 C ATOM 1228 CD1 LEU B 218 6.873 -0.797 1.651 1.00 0.20 C ATOM 1229 CD2 LEU B 218 6.324 -1.054 4.068 1.00 0.19 C ATOM 0 H LEU B 218 6.503 -4.889 2.552 1.00 0.15 H new ATOM 0 HA LEU B 218 5.036 -3.259 4.388 1.00 0.15 H new ATOM 0 HB2 LEU B 218 5.587 -3.147 1.431 1.00 0.15 H new ATOM 0 HB3 LEU B 218 4.516 -2.003 2.216 1.00 0.15 H new ATOM 0 HG LEU B 218 7.439 -2.441 2.892 1.00 0.17 H new ATOM 0 HD11 LEU B 218 7.731 -0.186 1.931 1.00 0.20 H new ATOM 0 HD12 LEU B 218 7.096 -1.336 0.730 1.00 0.20 H new ATOM 0 HD13 LEU B 218 6.006 -0.156 1.495 1.00 0.20 H new ATOM 0 HD21 LEU B 218 7.193 -0.445 4.316 1.00 0.19 H new ATOM 0 HD22 LEU B 218 5.449 -0.413 3.963 1.00 0.19 H new ATOM 0 HD23 LEU B 218 6.150 -1.778 4.864 1.00 0.19 H new ATOM 1241 N ARG B 219 3.417 -5.200 2.293 1.00 0.13 N ATOM 1242 CA ARG B 219 2.111 -5.805 2.044 1.00 0.13 C ATOM 1243 C ARG B 219 1.511 -6.317 3.352 1.00 0.13 C ATOM 1244 O ARG B 219 0.328 -6.118 3.632 1.00 0.12 O ATOM 1245 CB ARG B 219 2.232 -6.964 1.053 1.00 0.13 C ATOM 1246 CG ARG B 219 0.892 -7.475 0.550 1.00 0.19 C ATOM 1247 CD ARG B 219 0.999 -8.895 0.024 1.00 0.17 C ATOM 1248 NE ARG B 219 1.127 -9.868 1.109 1.00 0.54 N ATOM 1249 CZ ARG B 219 1.614 -11.099 0.958 1.00 0.79 C ATOM 1250 NH1 ARG B 219 2.071 -11.498 -0.220 1.00 0.61 N ATOM 1251 NH2 ARG B 219 1.659 -11.922 1.994 1.00 1.29 N ATOM 0 H ARG B 219 4.181 -5.606 1.752 1.00 0.13 H new ATOM 0 HA ARG B 219 1.459 -5.042 1.618 1.00 0.13 H new ATOM 0 HB2 ARG B 219 2.832 -6.642 0.202 1.00 0.13 H new ATOM 0 HB3 ARG B 219 2.769 -7.784 1.529 1.00 0.13 H new ATOM 0 HG2 ARG B 219 0.161 -7.440 1.358 1.00 0.19 H new ATOM 0 HG3 ARG B 219 0.525 -6.820 -0.240 1.00 0.19 H new ATOM 0 HD2 ARG B 219 0.117 -9.129 -0.572 1.00 0.17 H new ATOM 0 HD3 ARG B 219 1.861 -8.973 -0.638 1.00 0.17 H new ATOM 0 HE ARG B 219 0.824 -9.586 2.041 1.00 0.54 H new ATOM 0 HH11 ARG B 219 2.051 -10.862 -1.017 1.00 0.61 H new ATOM 0 HH12 ARG B 219 2.443 -12.441 -0.330 1.00 0.61 H new ATOM 0 HH21 ARG B 219 1.321 -11.613 2.906 1.00 1.29 H new ATOM 0 HH22 ARG B 219 2.031 -12.865 1.881 1.00 1.29 H new ATOM 1265 N VAL B 220 2.354 -6.940 4.165 1.00 0.13 N ATOM 1266 CA VAL B 220 1.917 -7.506 5.434 1.00 0.14 C ATOM 1267 C VAL B 220 1.605 -6.389 6.422 1.00 0.14 C ATOM 1268 O VAL B 220 0.532 -6.352 7.023 1.00 0.16 O ATOM 1269 CB VAL B 220 2.992 -8.438 6.037 1.00 0.16 C ATOM 1270 CG1 VAL B 220 2.540 -8.989 7.380 1.00 0.19 C ATOM 1271 CG2 VAL B 220 3.317 -9.571 5.076 1.00 0.16 C ATOM 0 H VAL B 220 3.347 -7.066 3.967 1.00 0.13 H new ATOM 0 HA VAL B 220 1.019 -8.095 5.244 1.00 0.14 H new ATOM 0 HB VAL B 220 3.897 -7.852 6.198 1.00 0.16 H new ATOM 0 HG11 VAL B 220 3.313 -9.642 7.784 1.00 0.19 H new ATOM 0 HG12 VAL B 220 2.364 -8.165 8.071 1.00 0.19 H new ATOM 0 HG13 VAL B 220 1.618 -9.556 7.249 1.00 0.19 H new ATOM 0 HG21 VAL B 220 4.076 -10.217 5.518 1.00 0.16 H new ATOM 0 HG22 VAL B 220 2.416 -10.152 4.880 1.00 0.16 H new ATOM 0 HG23 VAL B 220 3.693 -9.158 4.140 1.00 0.16 H new ATOM 1281 N LEU B 221 2.549 -5.467 6.538 1.00 0.12 N ATOM 1282 CA LEU B 221 2.449 -4.335 7.453 1.00 0.13 C ATOM 1283 C LEU B 221 1.188 -3.521 7.184 1.00 0.11 C ATOM 1284 O LEU B 221 0.412 -3.214 8.095 1.00 0.12 O ATOM 1285 CB LEU B 221 3.682 -3.448 7.286 1.00 0.15 C ATOM 1286 CG LEU B 221 3.657 -2.127 8.051 1.00 0.16 C ATOM 1287 CD1 LEU B 221 3.690 -2.371 9.552 1.00 0.20 C ATOM 1288 CD2 LEU B 221 4.821 -1.253 7.619 1.00 0.25 C ATOM 0 H LEU B 221 3.413 -5.482 5.997 1.00 0.12 H new ATOM 0 HA LEU B 221 2.395 -4.713 8.474 1.00 0.13 H new ATOM 0 HB2 LEU B 221 4.559 -4.013 7.602 1.00 0.15 H new ATOM 0 HB3 LEU B 221 3.809 -3.230 6.226 1.00 0.15 H new ATOM 0 HG LEU B 221 2.728 -1.607 7.819 1.00 0.16 H new ATOM 0 HD11 LEU B 221 3.671 -1.416 10.076 1.00 0.20 H new ATOM 0 HD12 LEU B 221 2.822 -2.962 9.844 1.00 0.20 H new ATOM 0 HD13 LEU B 221 4.600 -2.910 9.813 1.00 0.20 H new ATOM 0 HD21 LEU B 221 4.794 -0.313 8.170 1.00 0.25 H new ATOM 0 HD22 LEU B 221 5.759 -1.768 7.825 1.00 0.25 H new ATOM 0 HD23 LEU B 221 4.746 -1.049 6.551 1.00 0.25 H new ATOM 1300 N PHE B 222 0.991 -3.191 5.922 1.00 0.10 N ATOM 1301 CA PHE B 222 -0.151 -2.405 5.498 1.00 0.10 C ATOM 1302 C PHE B 222 -1.440 -3.173 5.741 1.00 0.10 C ATOM 1303 O PHE B 222 -2.450 -2.592 6.129 1.00 0.11 O ATOM 1304 CB PHE B 222 -0.034 -2.033 4.017 1.00 0.10 C ATOM 1305 CG PHE B 222 1.119 -1.115 3.688 1.00 0.10 C ATOM 1306 CD1 PHE B 222 1.880 -0.531 4.690 1.00 1.23 C ATOM 1307 CD2 PHE B 222 1.434 -0.833 2.366 1.00 1.16 C ATOM 1308 CE1 PHE B 222 2.928 0.312 4.381 1.00 1.24 C ATOM 1309 CE2 PHE B 222 2.482 0.011 2.053 1.00 1.16 C ATOM 1310 CZ PHE B 222 3.230 0.584 3.061 1.00 0.12 C ATOM 0 H PHE B 222 1.617 -3.460 5.163 1.00 0.10 H new ATOM 0 HA PHE B 222 -0.169 -1.487 6.085 1.00 0.10 H new ATOM 0 HB2 PHE B 222 0.069 -2.948 3.433 1.00 0.10 H new ATOM 0 HB3 PHE B 222 -0.962 -1.556 3.701 1.00 0.10 H new ATOM 0 HD1 PHE B 222 1.650 -0.739 5.725 1.00 1.23 H new ATOM 0 HD2 PHE B 222 0.853 -1.279 1.572 1.00 1.16 H new ATOM 0 HE1 PHE B 222 3.512 0.759 5.172 1.00 1.24 H new ATOM 0 HE2 PHE B 222 2.716 0.222 1.020 1.00 1.16 H new ATOM 0 HZ PHE B 222 4.050 1.244 2.818 1.00 0.12 H new ATOM 1320 N LYS B 223 -1.400 -4.484 5.528 1.00 0.10 N ATOM 1321 CA LYS B 223 -2.574 -5.309 5.752 1.00 0.11 C ATOM 1322 C LYS B 223 -2.911 -5.384 7.237 1.00 0.12 C ATOM 1323 O LYS B 223 -4.077 -5.503 7.607 1.00 0.14 O ATOM 1324 CB LYS B 223 -2.387 -6.714 5.191 1.00 0.12 C ATOM 1325 CG LYS B 223 -3.681 -7.506 5.187 1.00 0.13 C ATOM 1326 CD LYS B 223 -3.490 -8.912 4.657 1.00 0.20 C ATOM 1327 CE LYS B 223 -4.823 -9.617 4.517 1.00 0.24 C ATOM 1328 NZ LYS B 223 -4.667 -11.055 4.182 1.00 0.35 N ATOM 0 H LYS B 223 -0.576 -4.990 5.204 1.00 0.10 H new ATOM 0 HA LYS B 223 -3.404 -4.838 5.224 1.00 0.11 H new ATOM 0 HB2 LYS B 223 -2.000 -6.649 4.174 1.00 0.12 H new ATOM 0 HB3 LYS B 223 -1.641 -7.244 5.783 1.00 0.12 H new ATOM 0 HG2 LYS B 223 -4.079 -7.553 6.200 1.00 0.13 H new ATOM 0 HG3 LYS B 223 -4.421 -6.987 4.577 1.00 0.13 H new ATOM 0 HD2 LYS B 223 -2.988 -8.876 3.690 1.00 0.20 H new ATOM 0 HD3 LYS B 223 -2.844 -9.475 5.330 1.00 0.20 H new ATOM 0 HE2 LYS B 223 -5.382 -9.522 5.448 1.00 0.24 H new ATOM 0 HE3 LYS B 223 -5.411 -9.127 3.741 1.00 0.24 H new ATOM 0 HZ1 LYS B 223 -5.605 -11.495 4.096 1.00 0.35 H new ATOM 0 HZ2 LYS B 223 -4.157 -11.148 3.280 1.00 0.35 H new ATOM 0 HZ3 LYS B 223 -4.129 -11.530 4.934 1.00 0.35 H new ATOM 1342 N GLU B 224 -1.898 -5.288 8.091 1.00 0.12 N ATOM 1343 CA GLU B 224 -2.125 -5.308 9.531 1.00 0.14 C ATOM 1344 C GLU B 224 -2.739 -3.987 9.964 1.00 0.14 C ATOM 1345 O GLU B 224 -3.562 -3.934 10.877 1.00 0.16 O ATOM 1346 CB GLU B 224 -0.819 -5.546 10.294 1.00 0.17 C ATOM 1347 CG GLU B 224 -0.135 -6.856 9.949 1.00 0.24 C ATOM 1348 CD GLU B 224 1.116 -7.092 10.767 1.00 1.36 C ATOM 1349 OE1 GLU B 224 2.152 -6.460 10.477 1.00 1.92 O ATOM 1350 OE2 GLU B 224 1.067 -7.908 11.714 1.00 2.27 O ATOM 0 H GLU B 224 -0.920 -5.196 7.815 1.00 0.12 H new ATOM 0 HA GLU B 224 -2.806 -6.127 9.761 1.00 0.14 H new ATOM 0 HB2 GLU B 224 -0.134 -4.724 10.087 1.00 0.17 H new ATOM 0 HB3 GLU B 224 -1.026 -5.526 11.364 1.00 0.17 H new ATOM 0 HG2 GLU B 224 -0.831 -7.679 10.111 1.00 0.24 H new ATOM 0 HG3 GLU B 224 0.122 -6.860 8.890 1.00 0.24 H new ATOM 1357 N ALA B 225 -2.346 -2.925 9.276 1.00 0.14 N ATOM 1358 CA ALA B 225 -2.882 -1.597 9.537 1.00 0.15 C ATOM 1359 C ALA B 225 -4.340 -1.537 9.101 1.00 0.15 C ATOM 1360 O ALA B 225 -5.192 -0.960 9.780 1.00 0.16 O ATOM 1361 CB ALA B 225 -2.062 -0.545 8.809 1.00 0.15 C ATOM 0 H ALA B 225 -1.653 -2.958 8.528 1.00 0.14 H new ATOM 0 HA ALA B 225 -2.826 -1.393 10.606 1.00 0.15 H new ATOM 0 HB1 ALA B 225 -2.474 0.443 9.013 1.00 0.15 H new ATOM 0 HB2 ALA B 225 -1.029 -0.586 9.154 1.00 0.15 H new ATOM 0 HB3 ALA B 225 -2.094 -0.737 7.736 1.00 0.15 H new ATOM 1367 N TRP B 226 -4.612 -2.162 7.967 1.00 0.15 N ATOM 1368 CA TRP B 226 -5.959 -2.257 7.433 1.00 0.16 C ATOM 1369 C TRP B 226 -6.837 -3.092 8.363 1.00 0.17 C ATOM 1370 O TRP B 226 -7.980 -2.737 8.640 1.00 0.19 O ATOM 1371 CB TRP B 226 -5.902 -2.871 6.029 1.00 0.16 C ATOM 1372 CG TRP B 226 -7.241 -3.188 5.444 1.00 0.15 C ATOM 1373 CD1 TRP B 226 -8.167 -2.303 4.974 1.00 0.16 C ATOM 1374 CD2 TRP B 226 -7.795 -4.492 5.258 1.00 0.15 C ATOM 1375 NE1 TRP B 226 -9.268 -2.980 4.510 1.00 0.17 N ATOM 1376 CE2 TRP B 226 -9.062 -4.327 4.673 1.00 0.16 C ATOM 1377 CE3 TRP B 226 -7.339 -5.783 5.531 1.00 0.16 C ATOM 1378 CZ2 TRP B 226 -9.879 -5.407 4.357 1.00 0.17 C ATOM 1379 CZ3 TRP B 226 -8.149 -6.853 5.218 1.00 0.18 C ATOM 1380 CH2 TRP B 226 -9.407 -6.660 4.636 1.00 0.18 C ATOM 0 H TRP B 226 -3.904 -2.618 7.391 1.00 0.15 H new ATOM 0 HA TRP B 226 -6.399 -1.262 7.364 1.00 0.16 H new ATOM 0 HB2 TRP B 226 -5.381 -2.182 5.364 1.00 0.16 H new ATOM 0 HB3 TRP B 226 -5.309 -3.785 6.068 1.00 0.16 H new ATOM 0 HD1 TRP B 226 -8.051 -1.229 4.968 1.00 0.16 H new ATOM 0 HE1 TRP B 226 -10.103 -2.552 4.110 1.00 0.17 H new ATOM 0 HE3 TRP B 226 -6.369 -5.940 5.979 1.00 0.16 H new ATOM 0 HZ2 TRP B 226 -10.850 -5.262 3.908 1.00 0.17 H new ATOM 0 HZ3 TRP B 226 -7.808 -7.856 5.425 1.00 0.18 H new ATOM 0 HH2 TRP B 226 -10.018 -7.519 4.402 1.00 0.18 H new ATOM 1391 N ARG B 227 -6.277 -4.186 8.867 1.00 0.18 N ATOM 1392 CA ARG B 227 -6.985 -5.042 9.807 1.00 0.21 C ATOM 1393 C ARG B 227 -7.281 -4.305 11.105 1.00 0.24 C ATOM 1394 O ARG B 227 -8.348 -4.471 11.694 1.00 0.25 O ATOM 1395 CB ARG B 227 -6.179 -6.306 10.099 1.00 0.24 C ATOM 1396 CG ARG B 227 -6.281 -7.359 9.011 1.00 0.27 C ATOM 1397 CD ARG B 227 -7.691 -7.918 8.922 1.00 0.38 C ATOM 1398 NE ARG B 227 -7.812 -8.960 7.906 1.00 0.98 N ATOM 1399 CZ ARG B 227 -8.975 -9.373 7.399 1.00 1.26 C ATOM 1400 NH1 ARG B 227 -10.118 -8.858 7.838 1.00 0.71 N ATOM 1401 NH2 ARG B 227 -8.995 -10.309 6.462 1.00 2.25 N ATOM 0 H ARG B 227 -5.334 -4.500 8.639 1.00 0.18 H new ATOM 0 HA ARG B 227 -7.932 -5.325 9.347 1.00 0.21 H new ATOM 0 HB2 ARG B 227 -5.132 -6.036 10.234 1.00 0.24 H new ATOM 0 HB3 ARG B 227 -6.521 -6.735 11.041 1.00 0.24 H new ATOM 0 HG2 ARG B 227 -5.997 -6.925 8.052 1.00 0.27 H new ATOM 0 HG3 ARG B 227 -5.578 -8.167 9.215 1.00 0.27 H new ATOM 0 HD2 ARG B 227 -7.980 -8.324 9.891 1.00 0.38 H new ATOM 0 HD3 ARG B 227 -8.386 -7.110 8.695 1.00 0.38 H new ATOM 0 HE ARG B 227 -6.957 -9.398 7.564 1.00 0.98 H new ATOM 0 HH11 ARG B 227 -10.109 -8.143 8.566 1.00 0.71 H new ATOM 0 HH12 ARG B 227 -11.005 -9.177 7.447 1.00 0.71 H new ATOM 0 HH21 ARG B 227 -8.121 -10.715 6.128 1.00 2.25 H new ATOM 0 HH22 ARG B 227 -9.885 -10.624 6.075 1.00 2.25 H new ATOM 1415 N SER B 228 -6.342 -3.477 11.543 1.00 0.28 N ATOM 1416 CA SER B 228 -6.502 -2.720 12.777 1.00 0.33 C ATOM 1417 C SER B 228 -7.491 -1.566 12.608 1.00 0.36 C ATOM 1418 O SER B 228 -7.829 -0.881 13.572 1.00 0.40 O ATOM 1419 CB SER B 228 -5.144 -2.188 13.234 1.00 0.36 C ATOM 1420 OG SER B 228 -4.219 -3.247 13.412 1.00 1.18 O ATOM 0 H SER B 228 -5.459 -3.312 11.060 1.00 0.28 H new ATOM 0 HA SER B 228 -6.907 -3.391 13.535 1.00 0.33 H new ATOM 0 HB2 SER B 228 -4.759 -1.483 12.497 1.00 0.36 H new ATOM 0 HB3 SER B 228 -5.260 -1.640 14.169 1.00 0.36 H new ATOM 0 HG SER B 228 -3.919 -3.570 12.537 1.00 1.18 H new ATOM 1426 N SER B 229 -7.966 -1.365 11.386 1.00 0.34 N ATOM 1427 CA SER B 229 -8.925 -0.306 11.112 1.00 0.37 C ATOM 1428 C SER B 229 -10.345 -0.792 11.379 1.00 0.38 C ATOM 1429 O SER B 229 -11.296 -0.008 11.385 1.00 0.42 O ATOM 1430 CB SER B 229 -8.785 0.179 9.671 1.00 0.34 C ATOM 1431 OG SER B 229 -7.492 0.719 9.443 1.00 0.93 O ATOM 0 H SER B 229 -7.703 -1.920 10.572 1.00 0.34 H new ATOM 0 HA SER B 229 -8.718 0.531 11.778 1.00 0.37 H new ATOM 0 HB2 SER B 229 -8.964 -0.649 8.985 1.00 0.34 H new ATOM 0 HB3 SER B 229 -9.542 0.935 9.462 1.00 0.34 H new ATOM 0 HG SER B 229 -6.817 0.023 9.584 1.00 0.93 H new ATOM 1437 N PHE B 230 -10.479 -2.092 11.601 1.00 0.36 N ATOM 1438 CA PHE B 230 -11.766 -2.679 11.931 1.00 0.38 C ATOM 1439 C PHE B 230 -11.835 -2.972 13.423 1.00 0.51 C ATOM 1440 O PHE B 230 -11.457 -4.088 13.829 1.00 1.21 O ATOM 1441 CB PHE B 230 -12.000 -3.962 11.134 1.00 0.31 C ATOM 1442 CG PHE B 230 -11.945 -3.768 9.647 1.00 0.30 C ATOM 1443 CD1 PHE B 230 -12.831 -2.914 9.011 1.00 1.21 C ATOM 1444 CD2 PHE B 230 -11.003 -4.438 8.885 1.00 1.21 C ATOM 1445 CE1 PHE B 230 -12.780 -2.734 7.644 1.00 1.22 C ATOM 1446 CE2 PHE B 230 -10.947 -4.262 7.519 1.00 1.27 C ATOM 1447 CZ PHE B 230 -11.836 -3.409 6.896 1.00 0.47 C ATOM 1448 OXT PHE B 230 -12.246 -2.072 14.188 1.00 1.23 O ATOM 0 H PHE B 230 -9.709 -2.760 11.558 1.00 0.36 H new ATOM 0 HA PHE B 230 -12.547 -1.966 11.668 1.00 0.38 H new ATOM 0 HB2 PHE B 230 -11.252 -4.700 11.423 1.00 0.31 H new ATOM 0 HB3 PHE B 230 -12.973 -4.373 11.402 1.00 0.31 H new ATOM 0 HD1 PHE B 230 -13.570 -2.383 9.592 1.00 1.21 H new ATOM 0 HD2 PHE B 230 -10.304 -5.106 9.366 1.00 1.21 H new ATOM 0 HE1 PHE B 230 -13.477 -2.066 7.160 1.00 1.22 H new ATOM 0 HE2 PHE B 230 -10.208 -4.791 6.936 1.00 1.27 H new ATOM 0 HZ PHE B 230 -11.793 -3.270 5.826 1.00 0.47 H new