USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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= -2.77! C(o=-3.5!,f=-10!) USER MOD Set 1.2: B 216 ASN : amide:sc= -0.685 X(o=-3.5,f=-3) USER MOD Set 2.1: A 202 GLN : amide:sc= -2.72! C(o=-3.3!,f=-10!) USER MOD Set 2.2: A 216 ASN : amide:sc= -0.622 X(o=-3.3,f=-2.9) USER MOD Single : A 187 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 194 THR OG1 : rot -57:sc= 1.77 USER MOD Single : A 207 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 210 LYS NZ :NH3+ 178:sc= 0.663 (180deg=0.661) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 217 LYS NZ :NH3+ -168:sc= -0.0221 (180deg=-0.273) USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 SER OG : rot -37:sc= 0.102 USER MOD Single : A 229 SER OG : rot -27:sc= 0.0219 USER MOD Single : B 187 SER OG : rot 180:sc= 0.0274 USER MOD Single : B 190 SER OG : rot 180:sc= 0 USER MOD Single : B 194 THR OG1 : rot -57:sc= 1.74 USER MOD Single : B 207 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 210 LYS NZ :NH3+ 177:sc= 0.653 (180deg=0.648) USER MOD Single : B 212 TYR OH : rot 180:sc= 0 USER MOD Single : B 217 LYS NZ :NH3+ -170:sc= -0.022 (180deg=-0.224) USER MOD Single : B 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 228 SER OG : rot -26:sc= 0.167 USER MOD Single : B 229 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 186 16.716 0.389 -6.399 1.00 1.67 N ATOM 2 CA PRO A 186 16.374 0.709 -4.999 1.00 1.36 C ATOM 3 C PRO A 186 16.215 -0.568 -4.186 1.00 1.40 C ATOM 4 O PRO A 186 15.813 -1.598 -4.722 1.00 1.91 O ATOM 5 CB PRO A 186 15.079 1.509 -4.983 1.00 1.30 C ATOM 6 CG PRO A 186 14.667 1.552 -6.415 1.00 1.46 C ATOM 7 CD PRO A 186 15.924 1.318 -7.222 1.00 1.80 C ATOM 0 HA PRO A 186 17.176 1.297 -4.552 1.00 1.36 H new ATOM 0 HB2 PRO A 186 14.321 1.030 -4.363 1.00 1.30 H new ATOM 0 HB3 PRO A 186 15.233 2.510 -4.581 1.00 1.30 H new ATOM 0 HG2 PRO A 186 13.919 0.788 -6.628 1.00 1.46 H new ATOM 0 HG3 PRO A 186 14.219 2.514 -6.663 1.00 1.46 H new ATOM 0 HD2 PRO A 186 15.696 0.890 -8.198 1.00 1.80 H new ATOM 0 HD3 PRO A 186 16.462 2.249 -7.400 1.00 1.80 H new ATOM 15 N SER A 187 16.570 -0.509 -2.909 1.00 1.19 N ATOM 16 CA SER A 187 16.411 -1.653 -2.024 1.00 1.28 C ATOM 17 C SER A 187 15.086 -1.595 -1.260 1.00 1.05 C ATOM 18 O SER A 187 14.746 -2.512 -0.511 1.00 1.59 O ATOM 19 CB SER A 187 17.592 -1.727 -1.056 1.00 1.71 C ATOM 20 OG SER A 187 17.882 -0.451 -0.512 1.00 2.10 O ATOM 0 H SER A 187 16.969 0.318 -2.465 1.00 1.19 H new ATOM 0 HA SER A 187 16.392 -2.556 -2.634 1.00 1.28 H new ATOM 0 HB2 SER A 187 17.364 -2.426 -0.251 1.00 1.71 H new ATOM 0 HB3 SER A 187 18.469 -2.113 -1.575 1.00 1.71 H new ATOM 0 HG SER A 187 18.640 -0.523 0.105 1.00 2.10 H new ATOM 26 N GLY A 188 14.348 -0.507 -1.444 1.00 0.74 N ATOM 27 CA GLY A 188 13.018 -0.410 -0.874 1.00 0.66 C ATOM 28 C GLY A 188 12.975 0.324 0.455 1.00 0.68 C ATOM 29 O GLY A 188 12.807 -0.291 1.503 1.00 1.67 O ATOM 0 H GLY A 188 14.647 0.309 -1.978 1.00 0.74 H new ATOM 0 HA2 GLY A 188 12.365 0.100 -1.582 1.00 0.66 H new ATOM 0 HA3 GLY A 188 12.617 -1.414 -0.737 1.00 0.66 H new ATOM 33 N GLU A 189 13.126 1.642 0.408 1.00 0.55 N ATOM 34 CA GLU A 189 12.968 2.483 1.592 1.00 0.43 C ATOM 35 C GLU A 189 12.996 3.950 1.195 1.00 0.35 C ATOM 36 O GLU A 189 12.034 4.681 1.419 1.00 0.33 O ATOM 37 CB GLU A 189 14.056 2.208 2.634 1.00 0.59 C ATOM 38 CG GLU A 189 13.826 2.942 3.945 1.00 1.03 C ATOM 39 CD GLU A 189 14.958 2.752 4.930 1.00 1.38 C ATOM 40 OE1 GLU A 189 15.056 1.662 5.529 1.00 1.96 O ATOM 41 OE2 GLU A 189 15.755 3.701 5.117 1.00 1.91 O ATOM 0 H GLU A 189 13.359 2.156 -0.442 1.00 0.55 H new ATOM 0 HA GLU A 189 12.005 2.242 2.042 1.00 0.43 H new ATOM 0 HB2 GLU A 189 14.102 1.136 2.828 1.00 0.59 H new ATOM 0 HB3 GLU A 189 15.024 2.500 2.226 1.00 0.59 H new ATOM 0 HG2 GLU A 189 13.701 4.006 3.743 1.00 1.03 H new ATOM 0 HG3 GLU A 189 12.897 2.591 4.394 1.00 1.03 H new ATOM 48 N SER A 190 14.096 4.368 0.581 1.00 0.39 N ATOM 49 CA SER A 190 14.262 5.750 0.153 1.00 0.43 C ATOM 50 C SER A 190 13.146 6.154 -0.807 1.00 0.37 C ATOM 51 O SER A 190 12.617 7.261 -0.718 1.00 0.39 O ATOM 52 CB SER A 190 15.634 5.939 -0.505 1.00 0.55 C ATOM 53 OG SER A 190 15.868 7.300 -0.830 1.00 1.24 O ATOM 0 H SER A 190 14.890 3.765 0.368 1.00 0.39 H new ATOM 0 HA SER A 190 14.205 6.394 1.030 1.00 0.43 H new ATOM 0 HB2 SER A 190 16.414 5.585 0.168 1.00 0.55 H new ATOM 0 HB3 SER A 190 15.693 5.332 -1.408 1.00 0.55 H new ATOM 0 HG SER A 190 16.751 7.390 -1.246 1.00 1.24 H new ATOM 59 N VAL A 191 12.774 5.245 -1.706 1.00 0.35 N ATOM 60 CA VAL A 191 11.694 5.504 -2.647 1.00 0.30 C ATOM 61 C VAL A 191 10.347 5.526 -1.932 1.00 0.25 C ATOM 62 O VAL A 191 9.463 6.297 -2.283 1.00 0.25 O ATOM 63 CB VAL A 191 11.663 4.464 -3.793 1.00 0.30 C ATOM 64 CG1 VAL A 191 11.476 3.053 -3.258 1.00 0.35 C ATOM 65 CG2 VAL A 191 10.566 4.801 -4.793 1.00 0.31 C ATOM 0 H VAL A 191 13.205 4.325 -1.800 1.00 0.35 H new ATOM 0 HA VAL A 191 11.883 6.483 -3.086 1.00 0.30 H new ATOM 0 HB VAL A 191 12.626 4.505 -4.302 1.00 0.30 H new ATOM 0 HG11 VAL A 191 11.459 2.348 -4.089 1.00 0.35 H new ATOM 0 HG12 VAL A 191 12.300 2.805 -2.589 1.00 0.35 H new ATOM 0 HG13 VAL A 191 10.535 2.993 -2.712 1.00 0.35 H new ATOM 0 HG21 VAL A 191 10.560 4.058 -5.591 1.00 0.31 H new ATOM 0 HG22 VAL A 191 9.600 4.798 -4.288 1.00 0.31 H new ATOM 0 HG23 VAL A 191 10.751 5.788 -5.217 1.00 0.31 H new ATOM 75 N VAL A 192 10.209 4.703 -0.903 1.00 0.24 N ATOM 76 CA VAL A 192 8.974 4.639 -0.134 1.00 0.21 C ATOM 77 C VAL A 192 8.826 5.901 0.704 1.00 0.20 C ATOM 78 O VAL A 192 7.736 6.266 1.133 1.00 0.20 O ATOM 79 CB VAL A 192 8.948 3.405 0.792 1.00 0.20 C ATOM 80 CG1 VAL A 192 7.606 3.275 1.494 1.00 0.17 C ATOM 81 CG2 VAL A 192 9.260 2.146 0.008 1.00 0.23 C ATOM 0 H VAL A 192 10.939 4.068 -0.580 1.00 0.24 H new ATOM 0 HA VAL A 192 8.145 4.556 -0.837 1.00 0.21 H new ATOM 0 HB VAL A 192 9.715 3.540 1.554 1.00 0.20 H new ATOM 0 HG11 VAL A 192 7.617 2.397 2.140 1.00 0.17 H new ATOM 0 HG12 VAL A 192 7.422 4.165 2.095 1.00 0.17 H new ATOM 0 HG13 VAL A 192 6.815 3.169 0.751 1.00 0.17 H new ATOM 0 HG21 VAL A 192 9.237 1.286 0.677 1.00 0.23 H new ATOM 0 HG22 VAL A 192 8.517 2.014 -0.779 1.00 0.23 H new ATOM 0 HG23 VAL A 192 10.250 2.232 -0.439 1.00 0.23 H new ATOM 91 N ALA A 193 9.940 6.579 0.911 1.00 0.22 N ATOM 92 CA ALA A 193 9.968 7.786 1.712 1.00 0.22 C ATOM 93 C ALA A 193 9.629 9.016 0.879 1.00 0.22 C ATOM 94 O ALA A 193 9.802 10.147 1.336 1.00 0.24 O ATOM 95 CB ALA A 193 11.333 7.946 2.360 1.00 0.24 C ATOM 0 H ALA A 193 10.847 6.309 0.530 1.00 0.22 H new ATOM 0 HA ALA A 193 9.210 7.694 2.489 1.00 0.22 H new ATOM 0 HB1 ALA A 193 11.346 8.856 2.960 1.00 0.24 H new ATOM 0 HB2 ALA A 193 11.535 7.086 2.999 1.00 0.24 H new ATOM 0 HB3 ALA A 193 12.098 8.011 1.586 1.00 0.24 H new ATOM 101 N THR A 194 9.139 8.805 -0.337 1.00 0.22 N ATOM 102 CA THR A 194 8.875 9.913 -1.236 1.00 0.23 C ATOM 103 C THR A 194 7.379 10.160 -1.339 1.00 0.22 C ATOM 104 O THR A 194 6.571 9.242 -1.185 1.00 0.20 O ATOM 105 CB THR A 194 9.431 9.655 -2.654 1.00 0.24 C ATOM 106 OG1 THR A 194 8.717 8.584 -3.283 1.00 0.24 O ATOM 107 CG2 THR A 194 10.911 9.315 -2.606 1.00 0.26 C ATOM 0 H THR A 194 8.919 7.884 -0.717 1.00 0.22 H new ATOM 0 HA THR A 194 9.378 10.786 -0.820 1.00 0.23 H new ATOM 0 HB THR A 194 9.299 10.569 -3.234 1.00 0.24 H new ATOM 0 HG1 THR A 194 8.779 7.779 -2.728 1.00 0.24 H new ATOM 0 HG21 THR A 194 11.277 9.138 -3.617 1.00 0.26 H new ATOM 0 HG22 THR A 194 11.461 10.145 -2.161 1.00 0.26 H new ATOM 0 HG23 THR A 194 11.059 8.418 -2.005 1.00 0.26 H new ATOM 115 N GLU A 195 7.020 11.406 -1.600 1.00 0.26 N ATOM 116 CA GLU A 195 5.631 11.766 -1.825 1.00 0.26 C ATOM 117 C GLU A 195 5.141 11.104 -3.102 1.00 0.20 C ATOM 118 O GLU A 195 3.978 10.733 -3.222 1.00 0.19 O ATOM 119 CB GLU A 195 5.476 13.280 -1.923 1.00 0.36 C ATOM 120 CG GLU A 195 5.900 14.018 -0.666 1.00 0.83 C ATOM 121 CD GLU A 195 5.761 15.518 -0.802 1.00 1.69 C ATOM 122 OE1 GLU A 195 6.685 16.159 -1.345 1.00 2.46 O ATOM 123 OE2 GLU A 195 4.726 16.067 -0.373 1.00 2.22 O ATOM 0 H GLU A 195 7.674 12.187 -1.661 1.00 0.26 H new ATOM 0 HA GLU A 195 5.033 11.419 -0.983 1.00 0.26 H new ATOM 0 HB2 GLU A 195 6.067 13.643 -2.764 1.00 0.36 H new ATOM 0 HB3 GLU A 195 4.434 13.517 -2.139 1.00 0.36 H new ATOM 0 HG2 GLU A 195 5.296 13.675 0.174 1.00 0.83 H new ATOM 0 HG3 GLU A 195 6.936 13.772 -0.436 1.00 0.83 H new ATOM 130 N ALA A 196 6.060 10.963 -4.046 1.00 0.21 N ATOM 131 CA ALA A 196 5.783 10.318 -5.321 1.00 0.21 C ATOM 132 C ALA A 196 5.333 8.873 -5.138 1.00 0.17 C ATOM 133 O ALA A 196 4.404 8.422 -5.809 1.00 0.17 O ATOM 134 CB ALA A 196 7.012 10.374 -6.207 1.00 0.26 C ATOM 0 H ALA A 196 7.020 11.293 -3.949 1.00 0.21 H new ATOM 0 HA ALA A 196 4.966 10.860 -5.798 1.00 0.21 H new ATOM 0 HB1 ALA A 196 6.796 9.889 -7.159 1.00 0.26 H new ATOM 0 HB2 ALA A 196 7.286 11.414 -6.383 1.00 0.26 H new ATOM 0 HB3 ALA A 196 7.838 9.859 -5.716 1.00 0.26 H new ATOM 140 N PHE A 197 5.981 8.152 -4.228 1.00 0.14 N ATOM 141 CA PHE A 197 5.625 6.759 -3.980 1.00 0.12 C ATOM 142 C PHE A 197 4.199 6.664 -3.475 1.00 0.11 C ATOM 143 O PHE A 197 3.403 5.889 -3.990 1.00 0.11 O ATOM 144 CB PHE A 197 6.571 6.112 -2.961 1.00 0.10 C ATOM 145 CG PHE A 197 6.087 4.777 -2.458 1.00 0.10 C ATOM 146 CD1 PHE A 197 6.310 3.621 -3.185 1.00 0.17 C ATOM 147 CD2 PHE A 197 5.391 4.684 -1.261 1.00 0.14 C ATOM 148 CE1 PHE A 197 5.852 2.400 -2.729 1.00 0.22 C ATOM 149 CE2 PHE A 197 4.934 3.466 -0.802 1.00 0.15 C ATOM 150 CZ PHE A 197 5.163 2.323 -1.537 1.00 0.17 C ATOM 0 H PHE A 197 6.748 8.505 -3.655 1.00 0.14 H new ATOM 0 HA PHE A 197 5.716 6.222 -4.924 1.00 0.12 H new ATOM 0 HB2 PHE A 197 7.553 5.986 -3.417 1.00 0.10 H new ATOM 0 HB3 PHE A 197 6.697 6.787 -2.114 1.00 0.10 H new ATOM 0 HD1 PHE A 197 6.848 3.674 -4.120 1.00 0.17 H new ATOM 0 HD2 PHE A 197 5.205 5.576 -0.682 1.00 0.14 H new ATOM 0 HE1 PHE A 197 6.034 1.505 -3.306 1.00 0.22 H new ATOM 0 HE2 PHE A 197 4.397 3.408 0.133 1.00 0.15 H new ATOM 0 HZ PHE A 197 4.804 1.369 -1.180 1.00 0.17 H new ATOM 160 N TRP A 198 3.892 7.461 -2.468 1.00 0.11 N ATOM 161 CA TRP A 198 2.579 7.438 -1.848 1.00 0.11 C ATOM 162 C TRP A 198 1.509 7.976 -2.787 1.00 0.12 C ATOM 163 O TRP A 198 0.349 7.574 -2.708 1.00 0.13 O ATOM 164 CB TRP A 198 2.603 8.195 -0.524 1.00 0.11 C ATOM 165 CG TRP A 198 3.468 7.506 0.479 1.00 0.11 C ATOM 166 CD1 TRP A 198 4.691 7.906 0.927 1.00 0.12 C ATOM 167 CD2 TRP A 198 3.188 6.260 1.125 1.00 0.12 C ATOM 168 NE1 TRP A 198 5.186 6.987 1.819 1.00 0.13 N ATOM 169 CE2 TRP A 198 4.282 5.968 1.958 1.00 0.13 C ATOM 170 CE3 TRP A 198 2.116 5.367 1.080 1.00 0.14 C ATOM 171 CZ2 TRP A 198 4.335 4.817 2.739 1.00 0.16 C ATOM 172 CZ3 TRP A 198 2.169 4.225 1.855 1.00 0.16 C ATOM 173 CH2 TRP A 198 3.271 3.959 2.675 1.00 0.17 C ATOM 0 H TRP A 198 4.538 8.136 -2.060 1.00 0.11 H new ATOM 0 HA TRP A 198 2.319 6.401 -1.637 1.00 0.11 H new ATOM 0 HB2 TRP A 198 2.970 9.208 -0.689 1.00 0.11 H new ATOM 0 HB3 TRP A 198 1.589 8.282 -0.134 1.00 0.11 H new ATOM 0 HD1 TRP A 198 5.196 8.812 0.625 1.00 0.12 H new ATOM 0 HE1 TRP A 198 6.083 7.053 2.301 1.00 0.13 H new ATOM 0 HE3 TRP A 198 1.261 5.565 0.451 1.00 0.14 H new ATOM 0 HZ2 TRP A 198 5.185 4.609 3.372 1.00 0.16 H new ATOM 0 HZ3 TRP A 198 1.346 3.526 1.828 1.00 0.16 H new ATOM 0 HH2 TRP A 198 3.282 3.058 3.270 1.00 0.17 H new ATOM 184 N ASP A 199 1.899 8.874 -3.677 1.00 0.13 N ATOM 185 CA ASP A 199 0.990 9.373 -4.698 1.00 0.16 C ATOM 186 C ASP A 199 0.611 8.257 -5.662 1.00 0.14 C ATOM 187 O ASP A 199 -0.565 8.054 -5.955 1.00 0.15 O ATOM 188 CB ASP A 199 1.614 10.535 -5.470 1.00 0.21 C ATOM 189 CG ASP A 199 0.781 10.931 -6.672 1.00 0.30 C ATOM 190 OD1 ASP A 199 -0.312 11.506 -6.482 1.00 1.23 O ATOM 191 OD2 ASP A 199 1.207 10.652 -7.813 1.00 1.01 O ATOM 0 H ASP A 199 2.837 9.272 -3.714 1.00 0.13 H new ATOM 0 HA ASP A 199 0.092 9.735 -4.198 1.00 0.16 H new ATOM 0 HB2 ASP A 199 1.724 11.393 -4.807 1.00 0.21 H new ATOM 0 HB3 ASP A 199 2.615 10.256 -5.799 1.00 0.21 H new ATOM 196 N ASP A 200 1.611 7.523 -6.136 1.00 0.16 N ATOM 197 CA ASP A 200 1.369 6.403 -7.039 1.00 0.18 C ATOM 198 C ASP A 200 0.620 5.288 -6.321 1.00 0.14 C ATOM 199 O ASP A 200 -0.240 4.627 -6.902 1.00 0.15 O ATOM 200 CB ASP A 200 2.680 5.856 -7.607 1.00 0.24 C ATOM 201 CG ASP A 200 3.308 6.764 -8.642 1.00 0.55 C ATOM 202 OD1 ASP A 200 2.681 6.993 -9.695 1.00 1.12 O ATOM 203 OD2 ASP A 200 4.438 7.242 -8.415 1.00 1.37 O ATOM 0 H ASP A 200 2.593 7.682 -5.912 1.00 0.16 H new ATOM 0 HA ASP A 200 0.760 6.772 -7.864 1.00 0.18 H new ATOM 0 HB2 ASP A 200 3.386 5.704 -6.791 1.00 0.24 H new ATOM 0 HB3 ASP A 200 2.495 4.880 -8.055 1.00 0.24 H new ATOM 208 N LEU A 201 0.965 5.090 -5.056 1.00 0.12 N ATOM 209 CA LEU A 201 0.320 4.095 -4.211 1.00 0.11 C ATOM 210 C LEU A 201 -1.173 4.399 -4.098 1.00 0.12 C ATOM 211 O LEU A 201 -2.015 3.522 -4.302 1.00 0.13 O ATOM 212 CB LEU A 201 0.998 4.108 -2.825 1.00 0.11 C ATOM 213 CG LEU A 201 0.752 2.903 -1.900 1.00 0.11 C ATOM 214 CD1 LEU A 201 -0.658 2.913 -1.331 1.00 0.18 C ATOM 215 CD2 LEU A 201 1.022 1.599 -2.633 1.00 0.13 C ATOM 0 H LEU A 201 1.702 5.616 -4.586 1.00 0.12 H new ATOM 0 HA LEU A 201 0.426 3.102 -4.648 1.00 0.11 H new ATOM 0 HB2 LEU A 201 2.073 4.200 -2.978 1.00 0.11 H new ATOM 0 HB3 LEU A 201 0.673 5.006 -2.300 1.00 0.11 H new ATOM 0 HG LEU A 201 1.447 2.983 -1.064 1.00 0.11 H new ATOM 0 HD11 LEU A 201 -0.795 2.047 -0.683 1.00 0.18 H new ATOM 0 HD12 LEU A 201 -0.811 3.826 -0.755 1.00 0.18 H new ATOM 0 HD13 LEU A 201 -1.380 2.873 -2.147 1.00 0.18 H new ATOM 0 HD21 LEU A 201 0.842 0.760 -1.961 1.00 0.13 H new ATOM 0 HD22 LEU A 201 0.359 1.522 -3.495 1.00 0.13 H new ATOM 0 HD23 LEU A 201 2.059 1.579 -2.969 1.00 0.13 H new ATOM 227 N GLN A 202 -1.499 5.656 -3.820 1.00 0.11 N ATOM 228 CA GLN A 202 -2.887 6.066 -3.714 1.00 0.12 C ATOM 229 C GLN A 202 -3.561 6.023 -5.079 1.00 0.12 C ATOM 230 O GLN A 202 -4.752 5.756 -5.176 1.00 0.13 O ATOM 231 CB GLN A 202 -3.010 7.463 -3.114 1.00 0.15 C ATOM 232 CG GLN A 202 -4.454 7.909 -2.963 1.00 0.21 C ATOM 233 CD GLN A 202 -4.595 9.301 -2.392 1.00 0.25 C ATOM 234 OE1 GLN A 202 -3.770 9.755 -1.604 1.00 0.71 O ATOM 235 NE2 GLN A 202 -5.653 9.985 -2.784 1.00 0.40 N ATOM 0 H GLN A 202 -0.822 6.403 -3.665 1.00 0.11 H new ATOM 0 HA GLN A 202 -3.389 5.365 -3.047 1.00 0.12 H new ATOM 0 HB2 GLN A 202 -2.525 7.479 -2.138 1.00 0.15 H new ATOM 0 HB3 GLN A 202 -2.478 8.174 -3.746 1.00 0.15 H new ATOM 0 HG2 GLN A 202 -4.942 7.873 -3.937 1.00 0.21 H new ATOM 0 HG3 GLN A 202 -4.979 7.205 -2.318 1.00 0.21 H new ATOM 0 HE21 GLN A 202 -6.314 9.570 -3.441 1.00 0.40 H new ATOM 0 HE22 GLN A 202 -5.810 10.929 -2.431 1.00 0.40 H new ATOM 244 N GLY A 203 -2.792 6.287 -6.127 1.00 0.14 N ATOM 245 CA GLY A 203 -3.315 6.191 -7.477 1.00 0.16 C ATOM 246 C GLY A 203 -3.765 4.782 -7.799 1.00 0.15 C ATOM 247 O GLY A 203 -4.827 4.576 -8.392 1.00 0.15 O ATOM 0 H GLY A 203 -1.813 6.567 -6.067 1.00 0.14 H new ATOM 0 HA2 GLY A 203 -4.154 6.877 -7.593 1.00 0.16 H new ATOM 0 HA3 GLY A 203 -2.549 6.501 -8.188 1.00 0.16 H new ATOM 251 N PHE A 204 -2.970 3.810 -7.367 1.00 0.15 N ATOM 252 CA PHE A 204 -3.306 2.410 -7.557 1.00 0.17 C ATOM 253 C PHE A 204 -4.529 2.061 -6.729 1.00 0.17 C ATOM 254 O PHE A 204 -5.395 1.304 -7.163 1.00 0.18 O ATOM 255 CB PHE A 204 -2.133 1.508 -7.162 1.00 0.20 C ATOM 256 CG PHE A 204 -2.510 0.055 -7.083 1.00 0.22 C ATOM 257 CD1 PHE A 204 -2.722 -0.686 -8.235 1.00 1.24 C ATOM 258 CD2 PHE A 204 -2.673 -0.564 -5.854 1.00 1.19 C ATOM 259 CE1 PHE A 204 -3.091 -2.015 -8.160 1.00 1.26 C ATOM 260 CE2 PHE A 204 -3.038 -1.892 -5.774 1.00 1.20 C ATOM 261 CZ PHE A 204 -3.249 -2.618 -6.928 1.00 0.31 C ATOM 0 H PHE A 204 -2.087 3.970 -6.882 1.00 0.15 H new ATOM 0 HA PHE A 204 -3.522 2.246 -8.613 1.00 0.17 H new ATOM 0 HB2 PHE A 204 -1.328 1.630 -7.887 1.00 0.20 H new ATOM 0 HB3 PHE A 204 -1.744 1.830 -6.196 1.00 0.20 H new ATOM 0 HD1 PHE A 204 -2.597 -0.220 -9.201 1.00 1.24 H new ATOM 0 HD2 PHE A 204 -2.512 0.000 -4.947 1.00 1.19 H new ATOM 0 HE1 PHE A 204 -3.256 -2.582 -9.064 1.00 1.26 H new ATOM 0 HE2 PHE A 204 -3.158 -2.363 -4.809 1.00 1.20 H new ATOM 0 HZ PHE A 204 -3.537 -3.657 -6.868 1.00 0.31 H new ATOM 271 N LEU A 205 -4.599 2.636 -5.539 1.00 0.16 N ATOM 272 CA LEU A 205 -5.722 2.407 -4.646 1.00 0.17 C ATOM 273 C LEU A 205 -7.001 2.999 -5.223 1.00 0.17 C ATOM 274 O LEU A 205 -8.072 2.431 -5.065 1.00 0.19 O ATOM 275 CB LEU A 205 -5.434 2.997 -3.266 1.00 0.17 C ATOM 276 CG LEU A 205 -4.847 2.024 -2.235 1.00 0.17 C ATOM 277 CD1 LEU A 205 -3.726 1.189 -2.833 1.00 0.18 C ATOM 278 CD2 LEU A 205 -4.340 2.792 -1.031 1.00 0.15 C ATOM 0 H LEU A 205 -3.888 3.267 -5.169 1.00 0.16 H new ATOM 0 HA LEU A 205 -5.862 1.331 -4.542 1.00 0.17 H new ATOM 0 HB2 LEU A 205 -4.743 3.832 -3.385 1.00 0.17 H new ATOM 0 HB3 LEU A 205 -6.362 3.406 -2.865 1.00 0.17 H new ATOM 0 HG LEU A 205 -5.640 1.344 -1.924 1.00 0.17 H new ATOM 0 HD11 LEU A 205 -3.333 0.511 -2.075 1.00 0.18 H new ATOM 0 HD12 LEU A 205 -4.111 0.611 -3.673 1.00 0.18 H new ATOM 0 HD13 LEU A 205 -2.929 1.846 -3.180 1.00 0.18 H new ATOM 0 HD21 LEU A 205 -3.925 2.095 -0.303 1.00 0.15 H new ATOM 0 HD22 LEU A 205 -3.566 3.492 -1.346 1.00 0.15 H new ATOM 0 HD23 LEU A 205 -5.164 3.342 -0.577 1.00 0.15 H new ATOM 290 N GLU A 206 -6.888 4.136 -5.896 1.00 0.17 N ATOM 291 CA GLU A 206 -8.031 4.747 -6.557 1.00 0.19 C ATOM 292 C GLU A 206 -8.551 3.850 -7.668 1.00 0.21 C ATOM 293 O GLU A 206 -9.753 3.626 -7.784 1.00 0.24 O ATOM 294 CB GLU A 206 -7.665 6.112 -7.142 1.00 0.21 C ATOM 295 CG GLU A 206 -7.471 7.200 -6.102 1.00 0.23 C ATOM 296 CD GLU A 206 -7.321 8.569 -6.731 1.00 0.30 C ATOM 297 OE1 GLU A 206 -8.346 9.149 -7.148 1.00 1.13 O ATOM 298 OE2 GLU A 206 -6.180 9.070 -6.816 1.00 1.12 O ATOM 0 H GLU A 206 -6.015 4.654 -5.998 1.00 0.17 H new ATOM 0 HA GLU A 206 -8.809 4.881 -5.806 1.00 0.19 H new ATOM 0 HB2 GLU A 206 -6.748 6.012 -7.723 1.00 0.21 H new ATOM 0 HB3 GLU A 206 -8.449 6.421 -7.834 1.00 0.21 H new ATOM 0 HG2 GLU A 206 -8.322 7.206 -5.421 1.00 0.23 H new ATOM 0 HG3 GLU A 206 -6.587 6.977 -5.505 1.00 0.23 H new ATOM 305 N GLN A 207 -7.639 3.350 -8.488 1.00 0.22 N ATOM 306 CA GLN A 207 -8.006 2.498 -9.612 1.00 0.26 C ATOM 307 C GLN A 207 -8.583 1.163 -9.146 1.00 0.26 C ATOM 308 O GLN A 207 -9.551 0.667 -9.711 1.00 0.27 O ATOM 309 CB GLN A 207 -6.787 2.263 -10.500 1.00 0.34 C ATOM 310 CG GLN A 207 -6.207 3.550 -11.060 1.00 0.41 C ATOM 311 CD GLN A 207 -4.996 3.316 -11.937 1.00 0.54 C ATOM 312 OE1 GLN A 207 -4.251 2.357 -11.747 1.00 0.80 O ATOM 313 NE2 GLN A 207 -4.786 4.197 -12.902 1.00 1.13 N ATOM 0 H GLN A 207 -6.637 3.519 -8.397 1.00 0.22 H new ATOM 0 HA GLN A 207 -8.782 3.009 -10.182 1.00 0.26 H new ATOM 0 HB2 GLN A 207 -6.020 1.744 -9.925 1.00 0.34 H new ATOM 0 HB3 GLN A 207 -7.066 1.607 -11.325 1.00 0.34 H new ATOM 0 HG2 GLN A 207 -6.973 4.067 -11.637 1.00 0.41 H new ATOM 0 HG3 GLN A 207 -5.931 4.207 -10.236 1.00 0.41 H new ATOM 0 HE21 GLN A 207 -5.428 4.980 -13.027 1.00 1.13 H new ATOM 0 HE22 GLN A 207 -3.982 4.093 -13.521 1.00 1.13 H new ATOM 322 N ARG A 208 -7.983 0.583 -8.122 1.00 0.29 N ATOM 323 CA ARG A 208 -8.412 -0.715 -7.619 1.00 0.35 C ATOM 324 C ARG A 208 -9.717 -0.603 -6.826 1.00 0.36 C ATOM 325 O ARG A 208 -10.659 -1.358 -7.052 1.00 0.41 O ATOM 326 CB ARG A 208 -7.305 -1.314 -6.745 1.00 0.40 C ATOM 327 CG ARG A 208 -7.396 -2.821 -6.550 1.00 0.71 C ATOM 328 CD ARG A 208 -7.369 -3.561 -7.877 1.00 0.48 C ATOM 329 NE ARG A 208 -6.936 -4.954 -7.726 1.00 1.25 N ATOM 330 CZ ARG A 208 -7.760 -6.002 -7.703 1.00 1.28 C ATOM 331 NH1 ARG A 208 -9.074 -5.825 -7.762 1.00 1.59 N ATOM 332 NH2 ARG A 208 -7.260 -7.230 -7.624 1.00 1.97 N ATOM 0 H ARG A 208 -7.194 0.990 -7.619 1.00 0.29 H new ATOM 0 HA ARG A 208 -8.600 -1.371 -8.469 1.00 0.35 H new ATOM 0 HB2 ARG A 208 -6.339 -1.076 -7.191 1.00 0.40 H new ATOM 0 HB3 ARG A 208 -7.331 -0.832 -5.768 1.00 0.40 H new ATOM 0 HG2 ARG A 208 -6.567 -3.158 -5.928 1.00 0.71 H new ATOM 0 HG3 ARG A 208 -8.315 -3.064 -6.016 1.00 0.71 H new ATOM 0 HD2 ARG A 208 -8.363 -3.538 -8.324 1.00 0.48 H new ATOM 0 HD3 ARG A 208 -6.698 -3.046 -8.565 1.00 0.48 H new ATOM 0 HE ARG A 208 -5.936 -5.133 -7.632 1.00 1.25 H new ATOM 0 HH11 ARG A 208 -9.459 -4.883 -7.825 1.00 1.59 H new ATOM 0 HH12 ARG A 208 -9.699 -6.631 -7.744 1.00 1.59 H new ATOM 0 HH21 ARG A 208 -6.250 -7.368 -7.581 1.00 1.97 H new ATOM 0 HH22 ARG A 208 -7.886 -8.035 -7.606 1.00 1.97 H new ATOM 346 N LEU A 209 -9.760 0.346 -5.901 1.00 0.33 N ATOM 347 CA LEU A 209 -10.903 0.498 -5.001 1.00 0.36 C ATOM 348 C LEU A 209 -12.061 1.239 -5.646 1.00 0.39 C ATOM 349 O LEU A 209 -13.205 1.095 -5.220 1.00 0.45 O ATOM 350 CB LEU A 209 -10.496 1.243 -3.727 1.00 0.32 C ATOM 351 CG LEU A 209 -9.793 0.413 -2.646 1.00 0.33 C ATOM 352 CD1 LEU A 209 -8.656 -0.406 -3.224 1.00 0.33 C ATOM 353 CD2 LEU A 209 -9.268 1.328 -1.555 1.00 0.38 C ATOM 0 H LEU A 209 -9.015 1.026 -5.751 1.00 0.33 H new ATOM 0 HA LEU A 209 -11.233 -0.512 -4.760 1.00 0.36 H new ATOM 0 HB2 LEU A 209 -9.838 2.065 -4.008 1.00 0.32 H new ATOM 0 HB3 LEU A 209 -11.391 1.686 -3.290 1.00 0.32 H new ATOM 0 HG LEU A 209 -10.523 -0.278 -2.225 1.00 0.33 H new ATOM 0 HD11 LEU A 209 -8.181 -0.981 -2.429 1.00 0.33 H new ATOM 0 HD12 LEU A 209 -9.046 -1.086 -3.981 1.00 0.33 H new ATOM 0 HD13 LEU A 209 -7.922 0.260 -3.678 1.00 0.33 H new ATOM 0 HD21 LEU A 209 -8.770 0.733 -0.790 1.00 0.38 H new ATOM 0 HD22 LEU A 209 -8.558 2.036 -1.984 1.00 0.38 H new ATOM 0 HD23 LEU A 209 -10.098 1.873 -1.107 1.00 0.38 H new ATOM 365 N LYS A 210 -11.750 2.023 -6.676 1.00 0.35 N ATOM 366 CA LYS A 210 -12.733 2.879 -7.339 1.00 0.40 C ATOM 367 C LYS A 210 -13.272 3.928 -6.371 1.00 0.38 C ATOM 368 O LYS A 210 -14.440 4.311 -6.450 1.00 0.41 O ATOM 369 CB LYS A 210 -13.897 2.068 -7.927 1.00 0.49 C ATOM 370 CG LYS A 210 -13.620 1.453 -9.292 1.00 0.91 C ATOM 371 CD LYS A 210 -12.618 0.317 -9.224 1.00 1.06 C ATOM 372 CE LYS A 210 -12.394 -0.299 -10.593 1.00 1.62 C ATOM 373 NZ LYS A 210 -11.370 -1.374 -10.552 1.00 2.19 N ATOM 0 H LYS A 210 -10.813 2.083 -7.074 1.00 0.35 H new ATOM 0 HA LYS A 210 -12.220 3.376 -8.162 1.00 0.40 H new ATOM 0 HB2 LYS A 210 -14.155 1.270 -7.230 1.00 0.49 H new ATOM 0 HB3 LYS A 210 -14.770 2.716 -8.006 1.00 0.49 H new ATOM 0 HG2 LYS A 210 -14.554 1.085 -9.717 1.00 0.91 H new ATOM 0 HG3 LYS A 210 -13.245 2.224 -9.965 1.00 0.91 H new ATOM 0 HD2 LYS A 210 -11.672 0.686 -8.829 1.00 1.06 H new ATOM 0 HD3 LYS A 210 -12.976 -0.446 -8.533 1.00 1.06 H new ATOM 0 HE2 LYS A 210 -13.334 -0.706 -10.967 1.00 1.62 H new ATOM 0 HE3 LYS A 210 -12.081 0.475 -11.293 1.00 1.62 H new ATOM 0 HZ1 LYS A 210 -11.269 -1.793 -11.498 1.00 2.19 H new ATOM 0 HZ2 LYS A 210 -10.458 -0.974 -10.252 1.00 2.19 H new ATOM 0 HZ3 LYS A 210 -11.665 -2.109 -9.877 1.00 2.19 H new ATOM 387 N ASP A 211 -12.413 4.408 -5.477 1.00 0.34 N ATOM 388 CA ASP A 211 -12.830 5.361 -4.458 1.00 0.34 C ATOM 389 C ASP A 211 -11.639 6.169 -3.961 1.00 0.31 C ATOM 390 O ASP A 211 -10.675 5.618 -3.430 1.00 0.31 O ATOM 391 CB ASP A 211 -13.495 4.645 -3.283 1.00 0.37 C ATOM 392 CG ASP A 211 -14.074 5.618 -2.278 1.00 0.40 C ATOM 393 OD1 ASP A 211 -15.178 6.154 -2.532 1.00 1.12 O ATOM 394 OD2 ASP A 211 -13.434 5.863 -1.237 1.00 1.06 O ATOM 0 H ASP A 211 -11.426 4.152 -5.439 1.00 0.34 H new ATOM 0 HA ASP A 211 -13.554 6.038 -4.910 1.00 0.34 H new ATOM 0 HB2 ASP A 211 -14.287 3.995 -3.656 1.00 0.37 H new ATOM 0 HB3 ASP A 211 -12.764 4.005 -2.788 1.00 0.37 H new ATOM 399 N TYR A 212 -11.716 7.476 -4.155 1.00 0.30 N ATOM 400 CA TYR A 212 -10.660 8.397 -3.757 1.00 0.29 C ATOM 401 C TYR A 212 -10.530 8.489 -2.240 1.00 0.30 C ATOM 402 O TYR A 212 -9.420 8.542 -1.710 1.00 0.29 O ATOM 403 CB TYR A 212 -10.937 9.783 -4.350 1.00 0.32 C ATOM 404 CG TYR A 212 -10.092 10.891 -3.762 1.00 0.37 C ATOM 405 CD1 TYR A 212 -8.800 11.122 -4.210 1.00 1.35 C ATOM 406 CD2 TYR A 212 -10.596 11.708 -2.757 1.00 1.12 C ATOM 407 CE1 TYR A 212 -8.032 12.136 -3.671 1.00 1.42 C ATOM 408 CE2 TYR A 212 -9.834 12.721 -2.215 1.00 1.14 C ATOM 409 CZ TYR A 212 -8.554 12.932 -2.674 1.00 0.60 C ATOM 410 OH TYR A 212 -7.794 13.946 -2.134 1.00 0.74 O ATOM 0 H TYR A 212 -12.516 7.931 -4.595 1.00 0.30 H new ATOM 0 HA TYR A 212 -9.715 8.014 -4.142 1.00 0.29 H new ATOM 0 HB2 TYR A 212 -10.768 9.745 -5.426 1.00 0.32 H new ATOM 0 HB3 TYR A 212 -11.989 10.026 -4.201 1.00 0.32 H new ATOM 0 HD1 TYR A 212 -8.388 10.500 -4.991 1.00 1.35 H new ATOM 0 HD2 TYR A 212 -11.601 11.547 -2.395 1.00 1.12 H new ATOM 0 HE1 TYR A 212 -7.027 12.304 -4.029 1.00 1.42 H new ATOM 0 HE2 TYR A 212 -10.240 13.346 -1.434 1.00 1.14 H new ATOM 0 HH TYR A 212 -8.312 14.411 -1.444 1.00 0.74 H new ATOM 420 N ASP A 213 -11.664 8.503 -1.551 1.00 0.34 N ATOM 421 CA ASP A 213 -11.681 8.718 -0.106 1.00 0.37 C ATOM 422 C ASP A 213 -10.937 7.612 0.626 1.00 0.32 C ATOM 423 O ASP A 213 -10.040 7.881 1.427 1.00 0.29 O ATOM 424 CB ASP A 213 -13.119 8.802 0.414 1.00 0.49 C ATOM 425 CG ASP A 213 -13.822 10.078 -0.001 1.00 1.15 C ATOM 426 OD1 ASP A 213 -14.430 10.102 -1.093 1.00 2.01 O ATOM 427 OD2 ASP A 213 -13.780 11.061 0.766 1.00 1.63 O ATOM 0 H ASP A 213 -12.585 8.368 -1.968 1.00 0.34 H new ATOM 0 HA ASP A 213 -11.175 9.664 0.088 1.00 0.37 H new ATOM 0 HB2 ASP A 213 -13.684 7.946 0.046 1.00 0.49 H new ATOM 0 HB3 ASP A 213 -13.111 8.735 1.502 1.00 0.49 H new ATOM 432 N GLU A 214 -11.284 6.371 0.325 1.00 0.34 N ATOM 433 CA GLU A 214 -10.673 5.232 0.988 1.00 0.34 C ATOM 434 C GLU A 214 -9.231 5.071 0.538 1.00 0.25 C ATOM 435 O GLU A 214 -8.376 4.636 1.304 1.00 0.25 O ATOM 436 CB GLU A 214 -11.458 3.957 0.693 1.00 0.43 C ATOM 437 CG GLU A 214 -11.063 2.779 1.568 1.00 0.56 C ATOM 438 CD GLU A 214 -11.373 3.010 3.036 1.00 0.74 C ATOM 439 OE1 GLU A 214 -12.491 3.478 3.345 1.00 1.48 O ATOM 440 OE2 GLU A 214 -10.504 2.728 3.888 1.00 1.24 O ATOM 0 H GLU A 214 -11.986 6.128 -0.374 1.00 0.34 H new ATOM 0 HA GLU A 214 -10.689 5.411 2.063 1.00 0.34 H new ATOM 0 HB2 GLU A 214 -12.521 4.157 0.826 1.00 0.43 H new ATOM 0 HB3 GLU A 214 -11.313 3.686 -0.353 1.00 0.43 H new ATOM 0 HG2 GLU A 214 -11.587 1.886 1.226 1.00 0.56 H new ATOM 0 HG3 GLU A 214 -9.996 2.587 1.452 1.00 0.56 H new ATOM 447 N ALA A 215 -8.960 5.456 -0.700 1.00 0.20 N ATOM 448 CA ALA A 215 -7.618 5.353 -1.252 1.00 0.17 C ATOM 449 C ALA A 215 -6.675 6.285 -0.511 1.00 0.15 C ATOM 450 O ALA A 215 -5.528 5.942 -0.221 1.00 0.15 O ATOM 451 CB ALA A 215 -7.632 5.690 -2.734 1.00 0.16 C ATOM 0 H ALA A 215 -9.652 5.843 -1.342 1.00 0.20 H new ATOM 0 HA ALA A 215 -7.267 4.328 -1.130 1.00 0.17 H new ATOM 0 HB1 ALA A 215 -6.622 5.609 -3.135 1.00 0.16 H new ATOM 0 HB2 ALA A 215 -8.287 4.995 -3.259 1.00 0.16 H new ATOM 0 HB3 ALA A 215 -7.997 6.708 -2.872 1.00 0.16 H new ATOM 457 N ASN A 216 -7.186 7.464 -0.192 1.00 0.17 N ATOM 458 CA ASN A 216 -6.420 8.465 0.528 1.00 0.18 C ATOM 459 C ASN A 216 -6.203 8.022 1.967 1.00 0.18 C ATOM 460 O ASN A 216 -5.085 8.064 2.478 1.00 0.18 O ATOM 461 CB ASN A 216 -7.150 9.809 0.496 1.00 0.22 C ATOM 462 CG ASN A 216 -6.337 10.941 1.101 1.00 0.33 C ATOM 463 OD1 ASN A 216 -6.885 11.830 1.750 1.00 0.63 O ATOM 464 ND2 ASN A 216 -5.034 10.934 0.866 1.00 0.35 N ATOM 0 H ASN A 216 -8.137 7.751 -0.424 1.00 0.17 H new ATOM 0 HA ASN A 216 -5.450 8.580 0.045 1.00 0.18 H new ATOM 0 HB2 ASN A 216 -7.397 10.058 -0.536 1.00 0.22 H new ATOM 0 HB3 ASN A 216 -8.093 9.717 1.036 1.00 0.22 H new ATOM 0 HD21 ASN A 216 -4.446 11.685 1.228 1.00 0.35 H new ATOM 0 HD22 ASN A 216 -4.618 10.178 0.323 1.00 0.35 H new ATOM 471 N LYS A 217 -7.280 7.574 2.602 1.00 0.19 N ATOM 472 CA LYS A 217 -7.225 7.130 3.992 1.00 0.19 C ATOM 473 C LYS A 217 -6.273 5.954 4.154 1.00 0.17 C ATOM 474 O LYS A 217 -5.560 5.857 5.151 1.00 0.18 O ATOM 475 CB LYS A 217 -8.618 6.743 4.484 1.00 0.22 C ATOM 476 CG LYS A 217 -9.600 7.899 4.496 1.00 0.27 C ATOM 477 CD LYS A 217 -10.983 7.446 4.921 1.00 0.37 C ATOM 478 CE LYS A 217 -11.981 8.587 4.849 1.00 1.17 C ATOM 479 NZ LYS A 217 -11.570 9.742 5.693 1.00 1.99 N ATOM 0 H LYS A 217 -8.204 7.508 2.176 1.00 0.19 H new ATOM 0 HA LYS A 217 -6.853 7.960 4.593 1.00 0.19 H new ATOM 0 HB2 LYS A 217 -9.011 5.950 3.849 1.00 0.22 H new ATOM 0 HB3 LYS A 217 -8.538 6.334 5.491 1.00 0.22 H new ATOM 0 HG2 LYS A 217 -9.244 8.673 5.176 1.00 0.27 H new ATOM 0 HG3 LYS A 217 -9.651 8.345 3.503 1.00 0.27 H new ATOM 0 HD2 LYS A 217 -11.314 6.629 4.280 1.00 0.37 H new ATOM 0 HD3 LYS A 217 -10.944 7.057 5.938 1.00 0.37 H new ATOM 0 HE2 LYS A 217 -12.085 8.913 3.814 1.00 1.17 H new ATOM 0 HE3 LYS A 217 -12.960 8.233 5.171 1.00 1.17 H new ATOM 0 HZ1 LYS A 217 -12.363 10.409 5.779 1.00 1.99 H new ATOM 0 HZ2 LYS A 217 -11.299 9.402 6.638 1.00 1.99 H new ATOM 0 HZ3 LYS A 217 -10.760 10.223 5.253 1.00 1.99 H new ATOM 493 N LEU A 218 -6.254 5.073 3.164 1.00 0.16 N ATOM 494 CA LEU A 218 -5.365 3.926 3.197 1.00 0.15 C ATOM 495 C LEU A 218 -3.931 4.365 2.961 1.00 0.13 C ATOM 496 O LEU A 218 -3.019 3.860 3.592 1.00 0.14 O ATOM 497 CB LEU A 218 -5.774 2.872 2.172 1.00 0.16 C ATOM 498 CG LEU A 218 -7.019 2.059 2.529 1.00 0.17 C ATOM 499 CD1 LEU A 218 -7.313 1.050 1.436 1.00 0.20 C ATOM 500 CD2 LEU A 218 -6.842 1.356 3.869 1.00 0.20 C ATOM 0 H LEU A 218 -6.842 5.132 2.333 1.00 0.16 H new ATOM 0 HA LEU A 218 -5.440 3.474 4.186 1.00 0.15 H new ATOM 0 HB2 LEU A 218 -5.945 3.367 1.216 1.00 0.16 H new ATOM 0 HB3 LEU A 218 -4.940 2.185 2.030 1.00 0.16 H new ATOM 0 HG LEU A 218 -7.864 2.742 2.615 1.00 0.17 H new ATOM 0 HD11 LEU A 218 -8.201 0.476 1.700 1.00 0.20 H new ATOM 0 HD12 LEU A 218 -7.485 1.573 0.495 1.00 0.20 H new ATOM 0 HD13 LEU A 218 -6.464 0.375 1.326 1.00 0.20 H new ATOM 0 HD21 LEU A 218 -7.740 0.784 4.101 1.00 0.20 H new ATOM 0 HD22 LEU A 218 -5.987 0.682 3.816 1.00 0.20 H new ATOM 0 HD23 LEU A 218 -6.672 2.098 4.649 1.00 0.20 H new ATOM 512 N ARG A 219 -3.741 5.306 2.043 1.00 0.13 N ATOM 513 CA ARG A 219 -2.417 5.869 1.787 1.00 0.13 C ATOM 514 C ARG A 219 -1.815 6.416 3.080 1.00 0.12 C ATOM 515 O ARG A 219 -0.640 6.199 3.377 1.00 0.12 O ATOM 516 CB ARG A 219 -2.494 6.995 0.755 1.00 0.13 C ATOM 517 CG ARG A 219 -1.131 7.485 0.294 1.00 0.19 C ATOM 518 CD ARG A 219 -1.192 8.925 -0.186 1.00 0.17 C ATOM 519 NE ARG A 219 -1.309 9.865 0.931 1.00 0.54 N ATOM 520 CZ ARG A 219 -1.686 11.137 0.806 1.00 0.79 C ATOM 521 NH1 ARG A 219 -2.047 11.617 -0.377 1.00 0.61 N ATOM 522 NH2 ARG A 219 -1.716 11.924 1.874 1.00 1.29 N ATOM 0 H ARG A 219 -4.485 5.696 1.464 1.00 0.13 H new ATOM 0 HA ARG A 219 -1.785 5.071 1.397 1.00 0.13 H new ATOM 0 HB2 ARG A 219 -3.059 6.647 -0.110 1.00 0.13 H new ATOM 0 HB3 ARG A 219 -3.048 7.832 1.181 1.00 0.13 H new ATOM 0 HG2 ARG A 219 -0.417 7.403 1.114 1.00 0.19 H new ATOM 0 HG3 ARG A 219 -0.767 6.847 -0.511 1.00 0.19 H new ATOM 0 HD2 ARG A 219 -0.296 9.155 -0.762 1.00 0.17 H new ATOM 0 HD3 ARG A 219 -2.042 9.049 -0.856 1.00 0.17 H new ATOM 0 HE ARG A 219 -1.087 9.524 1.866 1.00 0.54 H new ATOM 0 HH11 ARG A 219 -2.037 11.011 -1.198 1.00 0.61 H new ATOM 0 HH12 ARG A 219 -2.335 12.592 -0.466 1.00 0.61 H new ATOM 0 HH21 ARG A 219 -1.451 11.555 2.787 1.00 1.29 H new ATOM 0 HH22 ARG A 219 -2.004 12.898 1.782 1.00 1.29 H new ATOM 536 N VAL A 220 -2.650 7.093 3.859 1.00 0.13 N ATOM 537 CA VAL A 220 -2.206 7.706 5.104 1.00 0.14 C ATOM 538 C VAL A 220 -1.920 6.626 6.139 1.00 0.14 C ATOM 539 O VAL A 220 -0.853 6.595 6.745 1.00 0.15 O ATOM 540 CB VAL A 220 -3.261 8.685 5.664 1.00 0.16 C ATOM 541 CG1 VAL A 220 -2.790 9.294 6.976 1.00 0.19 C ATOM 542 CG2 VAL A 220 -3.574 9.775 4.653 1.00 0.16 C ATOM 0 H VAL A 220 -3.639 7.231 3.650 1.00 0.13 H new ATOM 0 HA VAL A 220 -1.297 8.269 4.891 1.00 0.14 H new ATOM 0 HB VAL A 220 -4.175 8.123 5.856 1.00 0.16 H new ATOM 0 HG11 VAL A 220 -3.549 9.980 7.352 1.00 0.19 H new ATOM 0 HG12 VAL A 220 -2.624 8.502 7.706 1.00 0.19 H new ATOM 0 HG13 VAL A 220 -1.859 9.837 6.812 1.00 0.19 H new ATOM 0 HG21 VAL A 220 -4.319 10.453 5.068 1.00 0.16 H new ATOM 0 HG22 VAL A 220 -2.665 10.331 4.424 1.00 0.16 H new ATOM 0 HG23 VAL A 220 -3.963 9.324 3.740 1.00 0.16 H new ATOM 552 N LEU A 221 -2.883 5.726 6.289 1.00 0.13 N ATOM 553 CA LEU A 221 -2.804 4.630 7.249 1.00 0.13 C ATOM 554 C LEU A 221 -1.560 3.781 7.009 1.00 0.11 C ATOM 555 O LEU A 221 -0.796 3.484 7.931 1.00 0.12 O ATOM 556 CB LEU A 221 -4.064 3.769 7.129 1.00 0.15 C ATOM 557 CG LEU A 221 -4.104 2.516 8.000 1.00 0.16 C ATOM 558 CD1 LEU A 221 -4.011 2.878 9.474 1.00 0.20 C ATOM 559 CD2 LEU A 221 -5.374 1.730 7.722 1.00 0.26 C ATOM 0 H LEU A 221 -3.746 5.735 5.746 1.00 0.13 H new ATOM 0 HA LEU A 221 -2.735 5.044 8.255 1.00 0.13 H new ATOM 0 HB2 LEU A 221 -4.927 4.387 7.376 1.00 0.15 H new ATOM 0 HB3 LEU A 221 -4.176 3.467 6.088 1.00 0.15 H new ATOM 0 HG LEU A 221 -3.244 1.894 7.752 1.00 0.16 H new ATOM 0 HD11 LEU A 221 -4.042 1.969 10.075 1.00 0.20 H new ATOM 0 HD12 LEU A 221 -3.075 3.405 9.661 1.00 0.20 H new ATOM 0 HD13 LEU A 221 -4.849 3.520 9.745 1.00 0.20 H new ATOM 0 HD21 LEU A 221 -5.394 0.838 8.348 1.00 0.26 H new ATOM 0 HD22 LEU A 221 -6.242 2.350 7.946 1.00 0.26 H new ATOM 0 HD23 LEU A 221 -5.398 1.437 6.672 1.00 0.26 H new ATOM 571 N PHE A 222 -1.359 3.410 5.756 1.00 0.10 N ATOM 572 CA PHE A 222 -0.224 2.594 5.364 1.00 0.10 C ATOM 573 C PHE A 222 1.073 3.353 5.586 1.00 0.10 C ATOM 574 O PHE A 222 2.076 2.771 5.989 1.00 0.11 O ATOM 575 CB PHE A 222 -0.335 2.177 3.894 1.00 0.10 C ATOM 576 CG PHE A 222 -1.511 1.286 3.581 1.00 0.10 C ATOM 577 CD1 PHE A 222 -2.307 0.766 4.592 1.00 1.23 C ATOM 578 CD2 PHE A 222 -1.817 0.967 2.267 1.00 1.16 C ATOM 579 CE1 PHE A 222 -3.381 -0.049 4.297 1.00 1.25 C ATOM 580 CE2 PHE A 222 -2.890 0.151 1.966 1.00 1.15 C ATOM 581 CZ PHE A 222 -3.673 -0.358 2.983 1.00 0.12 C ATOM 0 H PHE A 222 -1.976 3.665 4.985 1.00 0.10 H new ATOM 0 HA PHE A 222 -0.224 1.696 5.982 1.00 0.10 H new ATOM 0 HB2 PHE A 222 -0.402 3.075 3.279 1.00 0.10 H new ATOM 0 HB3 PHE A 222 0.581 1.662 3.606 1.00 0.10 H new ATOM 0 HD1 PHE A 222 -2.083 1.002 5.622 1.00 1.23 H new ATOM 0 HD2 PHE A 222 -1.208 1.362 1.467 1.00 1.16 H new ATOM 0 HE1 PHE A 222 -3.993 -0.445 5.094 1.00 1.25 H new ATOM 0 HE2 PHE A 222 -3.116 -0.088 0.937 1.00 1.15 H new ATOM 0 HZ PHE A 222 -4.512 -0.997 2.751 1.00 0.12 H new ATOM 591 N LYS A 223 1.051 4.657 5.335 1.00 0.10 N ATOM 592 CA LYS A 223 2.231 5.480 5.538 1.00 0.11 C ATOM 593 C LYS A 223 2.574 5.580 7.019 1.00 0.12 C ATOM 594 O LYS A 223 3.744 5.663 7.387 1.00 0.14 O ATOM 595 CB LYS A 223 2.038 6.878 4.955 1.00 0.12 C ATOM 596 CG LYS A 223 3.313 7.697 4.967 1.00 0.13 C ATOM 597 CD LYS A 223 3.095 9.092 4.413 1.00 0.20 C ATOM 598 CE LYS A 223 4.403 9.853 4.324 1.00 0.25 C ATOM 599 NZ LYS A 223 4.199 11.271 3.935 1.00 0.36 N ATOM 0 H LYS A 223 0.233 5.162 4.993 1.00 0.10 H new ATOM 0 HA LYS A 223 3.058 4.999 5.016 1.00 0.11 H new ATOM 0 HB2 LYS A 223 1.675 6.793 3.931 1.00 0.12 H new ATOM 0 HB3 LYS A 223 1.269 7.401 5.523 1.00 0.12 H new ATOM 0 HG2 LYS A 223 3.690 7.767 5.987 1.00 0.13 H new ATOM 0 HG3 LYS A 223 4.077 7.188 4.379 1.00 0.13 H new ATOM 0 HD2 LYS A 223 2.640 9.027 3.425 1.00 0.20 H new ATOM 0 HD3 LYS A 223 2.397 9.635 5.050 1.00 0.20 H new ATOM 0 HE2 LYS A 223 4.912 9.811 5.287 1.00 0.25 H new ATOM 0 HE3 LYS A 223 5.055 9.368 3.597 1.00 0.25 H new ATOM 0 HZ1 LYS A 223 5.119 11.753 3.886 1.00 0.36 H new ATOM 0 HZ2 LYS A 223 3.737 11.313 3.004 1.00 0.36 H new ATOM 0 HZ3 LYS A 223 3.598 11.742 4.641 1.00 0.36 H new ATOM 613 N GLU A 224 1.558 5.539 7.870 1.00 0.12 N ATOM 614 CA GLU A 224 1.773 5.617 9.308 1.00 0.13 C ATOM 615 C GLU A 224 2.309 4.287 9.813 1.00 0.13 C ATOM 616 O GLU A 224 3.094 4.232 10.762 1.00 0.15 O ATOM 617 CB GLU A 224 0.472 5.972 10.032 1.00 0.16 C ATOM 618 CG GLU A 224 -0.142 7.282 9.571 1.00 0.24 C ATOM 619 CD GLU A 224 -1.411 7.630 10.320 1.00 1.36 C ATOM 620 OE1 GLU A 224 -2.483 7.099 9.968 1.00 2.28 O ATOM 621 OE2 GLU A 224 -1.338 8.445 11.265 1.00 1.92 O ATOM 0 H GLU A 224 0.581 5.453 7.591 1.00 0.12 H new ATOM 0 HA GLU A 224 2.500 6.402 9.514 1.00 0.13 H new ATOM 0 HB2 GLU A 224 -0.249 5.169 9.880 1.00 0.16 H new ATOM 0 HB3 GLU A 224 0.666 6.028 11.103 1.00 0.16 H new ATOM 0 HG2 GLU A 224 0.584 8.084 9.702 1.00 0.24 H new ATOM 0 HG3 GLU A 224 -0.360 7.221 8.505 1.00 0.24 H new ATOM 628 N ALA A 225 1.892 3.216 9.150 1.00 0.13 N ATOM 629 CA ALA A 225 2.389 1.885 9.456 1.00 0.15 C ATOM 630 C ALA A 225 3.849 1.776 9.042 1.00 0.15 C ATOM 631 O ALA A 225 4.679 1.226 9.765 1.00 0.16 O ATOM 632 CB ALA A 225 1.554 0.832 8.745 1.00 0.15 C ATOM 0 H ALA A 225 1.208 3.246 8.394 1.00 0.13 H new ATOM 0 HA ALA A 225 2.312 1.714 10.530 1.00 0.15 H new ATOM 0 HB1 ALA A 225 1.938 -0.160 8.984 1.00 0.15 H new ATOM 0 HB2 ALA A 225 0.517 0.908 9.072 1.00 0.15 H new ATOM 0 HB3 ALA A 225 1.607 0.992 7.668 1.00 0.15 H new ATOM 638 N TRP A 226 4.148 2.335 7.878 1.00 0.15 N ATOM 639 CA TRP A 226 5.504 2.375 7.361 1.00 0.16 C ATOM 640 C TRP A 226 6.387 3.222 8.271 1.00 0.17 C ATOM 641 O TRP A 226 7.549 2.899 8.507 1.00 0.18 O ATOM 642 CB TRP A 226 5.498 2.935 5.934 1.00 0.16 C ATOM 643 CG TRP A 226 6.861 3.241 5.407 1.00 0.16 C ATOM 644 CD1 TRP A 226 7.801 2.348 4.984 1.00 0.17 C ATOM 645 CD2 TRP A 226 7.436 4.538 5.251 1.00 0.16 C ATOM 646 NE1 TRP A 226 8.930 3.013 4.577 1.00 0.17 N ATOM 647 CE2 TRP A 226 8.729 4.362 4.730 1.00 0.17 C ATOM 648 CE3 TRP A 226 6.979 5.834 5.503 1.00 0.17 C ATOM 649 CZ2 TRP A 226 9.571 5.435 4.457 1.00 0.18 C ATOM 650 CZ3 TRP A 226 7.813 6.896 5.233 1.00 0.18 C ATOM 651 CH2 TRP A 226 9.096 6.693 4.715 1.00 0.19 C ATOM 0 H TRP A 226 3.457 2.772 7.268 1.00 0.15 H new ATOM 0 HA TRP A 226 5.910 1.364 7.336 1.00 0.16 H new ATOM 0 HB2 TRP A 226 5.015 2.216 5.272 1.00 0.16 H new ATOM 0 HB3 TRP A 226 4.896 3.844 5.912 1.00 0.16 H new ATOM 0 HD1 TRP A 226 7.675 1.275 4.971 1.00 0.17 H new ATOM 0 HE1 TRP A 226 9.780 2.576 4.219 1.00 0.17 H new ATOM 0 HE3 TRP A 226 5.989 6.000 5.902 1.00 0.17 H new ATOM 0 HZ2 TRP A 226 10.562 5.282 4.057 1.00 0.18 H new ATOM 0 HZ3 TRP A 226 7.471 7.902 5.424 1.00 0.18 H new ATOM 0 HH2 TRP A 226 9.726 7.547 4.514 1.00 0.19 H new ATOM 662 N ARG A 227 5.824 4.303 8.793 1.00 0.18 N ATOM 663 CA ARG A 227 6.535 5.141 9.744 1.00 0.21 C ATOM 664 C ARG A 227 6.841 4.369 11.020 1.00 0.24 C ATOM 665 O ARG A 227 7.893 4.554 11.629 1.00 0.25 O ATOM 666 CB ARG A 227 5.733 6.403 10.065 1.00 0.24 C ATOM 667 CG ARG A 227 5.808 7.467 8.980 1.00 0.27 C ATOM 668 CD ARG A 227 7.223 7.997 8.826 1.00 0.37 C ATOM 669 NE ARG A 227 7.311 9.087 7.853 1.00 0.98 N ATOM 670 CZ ARG A 227 8.457 9.515 7.318 1.00 1.26 C ATOM 671 NH1 ARG A 227 9.608 8.956 7.670 1.00 0.71 N ATOM 672 NH2 ARG A 227 8.453 10.506 6.438 1.00 2.25 N ATOM 0 H ARG A 227 4.879 4.618 8.574 1.00 0.18 H new ATOM 0 HA ARG A 227 7.478 5.441 9.287 1.00 0.21 H new ATOM 0 HB2 ARG A 227 4.690 6.130 10.222 1.00 0.24 H new ATOM 0 HB3 ARG A 227 6.096 6.825 11.002 1.00 0.24 H new ATOM 0 HG2 ARG A 227 5.469 7.048 8.033 1.00 0.27 H new ATOM 0 HG3 ARG A 227 5.134 8.288 9.225 1.00 0.27 H new ATOM 0 HD2 ARG A 227 7.583 8.348 9.793 1.00 0.37 H new ATOM 0 HD3 ARG A 227 7.880 7.184 8.517 1.00 0.37 H new ATOM 0 HE ARG A 227 6.446 9.546 7.567 1.00 0.98 H new ATOM 0 HH11 ARG A 227 9.619 8.197 8.351 1.00 0.71 H new ATOM 0 HH12 ARG A 227 10.482 9.285 7.259 1.00 0.71 H new ATOM 0 HH21 ARG A 227 7.573 10.944 6.167 1.00 2.25 H new ATOM 0 HH22 ARG A 227 9.330 10.830 6.031 1.00 2.25 H new ATOM 686 N SER A 228 5.931 3.485 11.409 1.00 0.28 N ATOM 687 CA SER A 228 6.117 2.661 12.595 1.00 0.33 C ATOM 688 C SER A 228 7.128 1.544 12.331 1.00 0.35 C ATOM 689 O SER A 228 7.561 0.853 13.251 1.00 0.40 O ATOM 690 CB SER A 228 4.770 2.069 13.022 1.00 0.36 C ATOM 691 OG SER A 228 4.854 1.422 14.281 1.00 1.16 O ATOM 0 H SER A 228 5.053 3.320 10.917 1.00 0.28 H new ATOM 0 HA SER A 228 6.509 3.285 13.398 1.00 0.33 H new ATOM 0 HB2 SER A 228 4.023 2.862 13.070 1.00 0.36 H new ATOM 0 HB3 SER A 228 4.431 1.357 12.269 1.00 0.36 H new ATOM 0 HG SER A 228 5.718 0.965 14.357 1.00 1.16 H new ATOM 697 N SER A 229 7.505 1.377 11.069 1.00 0.34 N ATOM 698 CA SER A 229 8.469 0.356 10.684 1.00 0.37 C ATOM 699 C SER A 229 9.884 0.788 11.079 1.00 0.38 C ATOM 700 O SER A 229 10.821 -0.014 11.074 1.00 0.42 O ATOM 701 CB SER A 229 8.380 0.100 9.173 1.00 0.34 C ATOM 702 OG SER A 229 9.180 -1.000 8.777 1.00 0.93 O ATOM 0 H SER A 229 7.155 1.939 10.293 1.00 0.34 H new ATOM 0 HA SER A 229 8.237 -0.571 11.208 1.00 0.37 H new ATOM 0 HB2 SER A 229 7.342 -0.087 8.897 1.00 0.34 H new ATOM 0 HB3 SER A 229 8.697 0.993 8.634 1.00 0.34 H new ATOM 0 HG SER A 229 9.930 -1.100 9.400 1.00 0.93 H new ATOM 708 N PHE A 230 10.023 2.056 11.437 1.00 0.36 N ATOM 709 CA PHE A 230 11.303 2.596 11.861 1.00 0.39 C ATOM 710 C PHE A 230 11.369 2.669 13.379 1.00 0.52 C ATOM 711 O PHE A 230 11.910 1.730 14.001 1.00 1.20 O ATOM 712 CB PHE A 230 11.530 3.981 11.256 1.00 0.32 C ATOM 713 CG PHE A 230 11.565 3.978 9.757 1.00 0.30 C ATOM 714 CD1 PHE A 230 12.707 3.587 9.080 1.00 1.21 C ATOM 715 CD2 PHE A 230 10.453 4.360 9.027 1.00 1.22 C ATOM 716 CE1 PHE A 230 12.740 3.578 7.699 1.00 1.21 C ATOM 717 CE2 PHE A 230 10.480 4.354 7.648 1.00 1.27 C ATOM 718 CZ PHE A 230 11.625 3.961 6.983 1.00 0.47 C ATOM 719 OXT PHE A 230 10.866 3.655 13.951 1.00 1.24 O ATOM 0 H PHE A 230 9.259 2.732 11.442 1.00 0.36 H new ATOM 0 HA PHE A 230 12.090 1.931 11.507 1.00 0.39 H new ATOM 0 HB2 PHE A 230 10.738 4.650 11.592 1.00 0.32 H new ATOM 0 HB3 PHE A 230 12.470 4.384 11.633 1.00 0.32 H new ATOM 0 HD1 PHE A 230 13.582 3.286 9.637 1.00 1.21 H new ATOM 0 HD2 PHE A 230 9.555 4.666 9.543 1.00 1.22 H new ATOM 0 HE1 PHE A 230 13.637 3.272 7.181 1.00 1.21 H new ATOM 0 HE2 PHE A 230 9.607 4.656 7.089 1.00 1.27 H new ATOM 0 HZ PHE A 230 11.647 3.954 5.903 1.00 0.47 H new TER 729 PHE A 230 ATOM 730 N PRO B 186 -16.870 -0.572 -6.676 1.00 1.66 N ATOM 731 CA PRO B 186 -16.548 -0.844 -5.261 1.00 1.35 C ATOM 732 C PRO B 186 -16.405 0.460 -4.490 1.00 1.39 C ATOM 733 O PRO B 186 -15.997 1.472 -5.055 1.00 1.89 O ATOM 734 CB PRO B 186 -15.251 -1.639 -5.198 1.00 1.29 C ATOM 735 CG PRO B 186 -14.816 -1.725 -6.620 1.00 1.45 C ATOM 736 CD PRO B 186 -16.060 -1.522 -7.456 1.00 1.79 C ATOM 0 HA PRO B 186 -17.354 -1.419 -4.806 1.00 1.35 H new ATOM 0 HB2 PRO B 186 -14.505 -1.138 -4.581 1.00 1.29 H new ATOM 0 HB3 PRO B 186 -15.409 -2.628 -4.768 1.00 1.29 H new ATOM 0 HG2 PRO B 186 -14.068 -0.965 -6.845 1.00 1.45 H new ATOM 0 HG3 PRO B 186 -14.360 -2.693 -6.830 1.00 1.45 H new ATOM 0 HD2 PRO B 186 -15.817 -1.123 -8.441 1.00 1.79 H new ATOM 0 HD3 PRO B 186 -16.591 -2.461 -7.615 1.00 1.79 H new ATOM 744 N SER B 187 -16.778 0.444 -3.217 1.00 1.18 N ATOM 745 CA SER B 187 -16.635 1.614 -2.364 1.00 1.27 C ATOM 746 C SER B 187 -15.321 1.585 -1.578 1.00 1.04 C ATOM 747 O SER B 187 -14.997 2.528 -0.855 1.00 1.58 O ATOM 748 CB SER B 187 -17.829 1.707 -1.419 1.00 1.70 C ATOM 749 OG SER B 187 -18.119 0.440 -0.851 1.00 2.10 O ATOM 0 H SER B 187 -17.183 -0.369 -2.753 1.00 1.18 H new ATOM 0 HA SER B 187 -16.608 2.500 -2.999 1.00 1.27 H new ATOM 0 HB2 SER B 187 -17.618 2.426 -0.628 1.00 1.70 H new ATOM 0 HB3 SER B 187 -18.700 2.076 -1.961 1.00 1.70 H new ATOM 0 HG SER B 187 -18.886 0.520 -0.247 1.00 2.10 H new ATOM 755 N GLY B 188 -14.577 0.493 -1.717 1.00 0.74 N ATOM 756 CA GLY B 188 -13.255 0.418 -1.125 1.00 0.66 C ATOM 757 C GLY B 188 -13.234 -0.271 0.225 1.00 0.69 C ATOM 758 O GLY B 188 -13.095 0.383 1.253 1.00 1.68 O ATOM 0 H GLY B 188 -14.866 -0.341 -2.229 1.00 0.74 H new ATOM 0 HA2 GLY B 188 -12.591 -0.114 -1.806 1.00 0.66 H new ATOM 0 HA3 GLY B 188 -12.857 1.427 -1.015 1.00 0.66 H new ATOM 762 N GLU B 189 -13.382 -1.590 0.222 1.00 0.54 N ATOM 763 CA GLU B 189 -13.234 -2.391 1.436 1.00 0.43 C ATOM 764 C GLU B 189 -13.246 -3.873 1.088 1.00 0.34 C ATOM 765 O GLU B 189 -12.283 -4.590 1.351 1.00 0.32 O ATOM 766 CB GLU B 189 -14.339 -2.088 2.453 1.00 0.59 C ATOM 767 CG GLU B 189 -14.124 -2.779 3.791 1.00 1.03 C ATOM 768 CD GLU B 189 -15.259 -2.541 4.766 1.00 1.37 C ATOM 769 OE1 GLU B 189 -15.319 -1.444 5.354 1.00 1.97 O ATOM 770 OE2 GLU B 189 -16.089 -3.453 4.956 1.00 1.90 O ATOM 0 H GLU B 189 -13.606 -2.133 -0.612 1.00 0.54 H new ATOM 0 HA GLU B 189 -12.279 -2.129 1.891 1.00 0.43 H new ATOM 0 HB2 GLU B 189 -14.393 -1.011 2.612 1.00 0.59 H new ATOM 0 HB3 GLU B 189 -15.299 -2.398 2.041 1.00 0.59 H new ATOM 0 HG2 GLU B 189 -14.011 -3.851 3.627 1.00 1.03 H new ATOM 0 HG3 GLU B 189 -13.192 -2.424 4.232 1.00 1.03 H new ATOM 777 N SER B 190 -14.337 -4.317 0.473 1.00 0.38 N ATOM 778 CA SER B 190 -14.491 -5.713 0.086 1.00 0.42 C ATOM 779 C SER B 190 -13.361 -6.143 -0.845 1.00 0.37 C ATOM 780 O SER B 190 -12.830 -7.246 -0.719 1.00 0.39 O ATOM 781 CB SER B 190 -15.852 -5.927 -0.588 1.00 0.54 C ATOM 782 OG SER B 190 -16.073 -7.295 -0.887 1.00 1.24 O ATOM 0 H SER B 190 -15.132 -3.725 0.231 1.00 0.38 H new ATOM 0 HA SER B 190 -14.444 -6.328 0.984 1.00 0.42 H new ATOM 0 HB2 SER B 190 -16.645 -5.564 0.066 1.00 0.54 H new ATOM 0 HB3 SER B 190 -15.902 -5.340 -1.505 1.00 0.54 H new ATOM 0 HG SER B 190 -16.949 -7.399 -1.314 1.00 1.24 H new ATOM 788 N VAL B 191 -12.980 -5.258 -1.764 1.00 0.34 N ATOM 789 CA VAL B 191 -11.884 -5.541 -2.681 1.00 0.29 C ATOM 790 C VAL B 191 -10.548 -5.537 -1.946 1.00 0.24 C ATOM 791 O VAL B 191 -9.657 -6.317 -2.258 1.00 0.24 O ATOM 792 CB VAL B 191 -11.837 -4.537 -3.858 1.00 0.29 C ATOM 793 CG1 VAL B 191 -11.666 -3.109 -3.366 1.00 0.34 C ATOM 794 CG2 VAL B 191 -10.724 -4.901 -4.828 1.00 0.30 C ATOM 0 H VAL B 191 -13.413 -4.343 -1.891 1.00 0.34 H new ATOM 0 HA VAL B 191 -12.065 -6.534 -3.093 1.00 0.29 H new ATOM 0 HB VAL B 191 -12.791 -4.597 -4.381 1.00 0.29 H new ATOM 0 HG11 VAL B 191 -11.637 -2.431 -4.219 1.00 0.34 H new ATOM 0 HG12 VAL B 191 -12.503 -2.844 -2.720 1.00 0.34 H new ATOM 0 HG13 VAL B 191 -10.735 -3.026 -2.805 1.00 0.34 H new ATOM 0 HG21 VAL B 191 -10.707 -4.184 -5.648 1.00 0.30 H new ATOM 0 HG22 VAL B 191 -9.766 -4.880 -4.308 1.00 0.30 H new ATOM 0 HG23 VAL B 191 -10.899 -5.901 -5.224 1.00 0.30 H new ATOM 804 N VAL B 192 -10.427 -4.679 -0.943 1.00 0.23 N ATOM 805 CA VAL B 192 -9.203 -4.586 -0.157 1.00 0.20 C ATOM 806 C VAL B 192 -9.063 -5.819 0.724 1.00 0.19 C ATOM 807 O VAL B 192 -7.980 -6.162 1.184 1.00 0.18 O ATOM 808 CB VAL B 192 -9.197 -3.322 0.728 1.00 0.19 C ATOM 809 CG1 VAL B 192 -7.866 -3.163 1.448 1.00 0.16 C ATOM 810 CG2 VAL B 192 -9.502 -2.091 -0.103 1.00 0.22 C ATOM 0 H VAL B 192 -11.163 -4.035 -0.653 1.00 0.23 H new ATOM 0 HA VAL B 192 -8.363 -4.524 -0.849 1.00 0.20 H new ATOM 0 HB VAL B 192 -9.976 -3.435 1.482 1.00 0.19 H new ATOM 0 HG11 VAL B 192 -7.891 -2.264 2.064 1.00 0.16 H new ATOM 0 HG12 VAL B 192 -7.689 -4.032 2.081 1.00 0.16 H new ATOM 0 HG13 VAL B 192 -7.064 -3.079 0.715 1.00 0.16 H new ATOM 0 HG21 VAL B 192 -9.494 -1.209 0.537 1.00 0.22 H new ATOM 0 HG22 VAL B 192 -8.747 -1.981 -0.882 1.00 0.22 H new ATOM 0 HG23 VAL B 192 -10.485 -2.197 -0.563 1.00 0.22 H new ATOM 820 N ALA B 193 -10.177 -6.495 0.934 1.00 0.20 N ATOM 821 CA ALA B 193 -10.218 -7.677 1.769 1.00 0.21 C ATOM 822 C ALA B 193 -9.864 -8.934 0.982 1.00 0.21 C ATOM 823 O ALA B 193 -10.050 -10.050 1.467 1.00 0.23 O ATOM 824 CB ALA B 193 -11.595 -7.817 2.398 1.00 0.23 C ATOM 0 H ALA B 193 -11.078 -6.239 0.530 1.00 0.20 H new ATOM 0 HA ALA B 193 -9.472 -7.561 2.555 1.00 0.21 H new ATOM 0 HB1 ALA B 193 -11.620 -8.708 3.025 1.00 0.23 H new ATOM 0 HB2 ALA B 193 -11.808 -6.939 3.007 1.00 0.23 H new ATOM 0 HB3 ALA B 193 -12.346 -7.905 1.613 1.00 0.23 H new ATOM 830 N THR B 194 -9.354 -8.760 -0.229 1.00 0.21 N ATOM 831 CA THR B 194 -9.071 -9.894 -1.088 1.00 0.22 C ATOM 832 C THR B 194 -7.572 -10.138 -1.157 1.00 0.21 C ATOM 833 O THR B 194 -6.770 -9.211 -1.019 1.00 0.19 O ATOM 834 CB THR B 194 -9.605 -9.682 -2.521 1.00 0.24 C ATOM 835 OG1 THR B 194 -8.882 -8.630 -3.171 1.00 0.23 O ATOM 836 CG2 THR B 194 -11.088 -9.346 -2.506 1.00 0.25 C ATOM 0 H THR B 194 -9.130 -7.851 -0.634 1.00 0.21 H new ATOM 0 HA THR B 194 -9.577 -10.757 -0.654 1.00 0.22 H new ATOM 0 HB THR B 194 -9.463 -10.612 -3.072 1.00 0.24 H new ATOM 0 HG1 THR B 194 -8.944 -7.811 -2.636 1.00 0.23 H new ATOM 0 HG21 THR B 194 -11.439 -9.202 -3.528 1.00 0.25 H new ATOM 0 HG22 THR B 194 -11.642 -10.164 -2.044 1.00 0.25 H new ATOM 0 HG23 THR B 194 -11.248 -8.432 -1.935 1.00 0.25 H new ATOM 844 N GLU B 195 -7.206 -11.388 -1.375 1.00 0.25 N ATOM 845 CA GLU B 195 -5.811 -11.751 -1.564 1.00 0.26 C ATOM 846 C GLU B 195 -5.302 -11.129 -2.853 1.00 0.20 C ATOM 847 O GLU B 195 -4.136 -10.758 -2.961 1.00 0.19 O ATOM 848 CB GLU B 195 -5.650 -13.266 -1.614 1.00 0.36 C ATOM 849 CG GLU B 195 -6.089 -13.966 -0.343 1.00 0.83 C ATOM 850 CD GLU B 195 -5.933 -15.467 -0.432 1.00 1.69 C ATOM 851 OE1 GLU B 195 -6.842 -16.132 -0.979 1.00 2.46 O ATOM 852 OE2 GLU B 195 -4.903 -15.993 0.040 1.00 2.24 O ATOM 0 H GLU B 195 -7.857 -12.172 -1.426 1.00 0.25 H new ATOM 0 HA GLU B 195 -5.229 -11.376 -0.722 1.00 0.26 H new ATOM 0 HB2 GLU B 195 -6.227 -13.657 -2.452 1.00 0.36 H new ATOM 0 HB3 GLU B 195 -4.605 -13.506 -1.808 1.00 0.36 H new ATOM 0 HG2 GLU B 195 -5.503 -13.591 0.496 1.00 0.83 H new ATOM 0 HG3 GLU B 195 -7.132 -13.723 -0.138 1.00 0.83 H new ATOM 859 N ALA B 196 -6.208 -11.022 -3.817 1.00 0.21 N ATOM 860 CA ALA B 196 -5.916 -10.419 -5.109 1.00 0.22 C ATOM 861 C ALA B 196 -5.472 -8.968 -4.966 1.00 0.17 C ATOM 862 O ALA B 196 -4.534 -8.537 -5.633 1.00 0.17 O ATOM 863 CB ALA B 196 -7.133 -10.509 -6.014 1.00 0.27 C ATOM 0 H ALA B 196 -7.168 -11.352 -3.723 1.00 0.21 H new ATOM 0 HA ALA B 196 -5.092 -10.974 -5.557 1.00 0.22 H new ATOM 0 HB1 ALA B 196 -6.904 -10.055 -6.978 1.00 0.27 H new ATOM 0 HB2 ALA B 196 -7.401 -11.555 -6.160 1.00 0.27 H new ATOM 0 HB3 ALA B 196 -7.968 -9.981 -5.554 1.00 0.27 H new ATOM 869 N PHE B 197 -6.137 -8.220 -4.089 1.00 0.14 N ATOM 870 CA PHE B 197 -5.793 -6.816 -3.884 1.00 0.12 C ATOM 871 C PHE B 197 -4.373 -6.698 -3.363 1.00 0.11 C ATOM 872 O PHE B 197 -3.571 -5.937 -3.890 1.00 0.12 O ATOM 873 CB PHE B 197 -6.757 -6.140 -2.900 1.00 0.10 C ATOM 874 CG PHE B 197 -6.286 -4.787 -2.432 1.00 0.10 C ATOM 875 CD1 PHE B 197 -6.503 -3.656 -3.200 1.00 0.17 C ATOM 876 CD2 PHE B 197 -5.609 -4.651 -1.230 1.00 0.14 C ATOM 877 CE1 PHE B 197 -6.054 -2.420 -2.779 1.00 0.22 C ATOM 878 CE2 PHE B 197 -5.161 -3.418 -0.804 1.00 0.15 C ATOM 879 CZ PHE B 197 -5.384 -2.300 -1.580 1.00 0.17 C ATOM 0 H PHE B 197 -6.909 -8.558 -3.515 1.00 0.14 H new ATOM 0 HA PHE B 197 -5.875 -6.311 -4.846 1.00 0.12 H new ATOM 0 HB2 PHE B 197 -7.732 -6.032 -3.375 1.00 0.10 H new ATOM 0 HB3 PHE B 197 -6.894 -6.788 -2.034 1.00 0.10 H new ATOM 0 HD1 PHE B 197 -7.029 -3.741 -4.139 1.00 0.17 H new ATOM 0 HD2 PHE B 197 -5.430 -5.523 -0.618 1.00 0.14 H new ATOM 0 HE1 PHE B 197 -6.228 -1.546 -3.390 1.00 0.22 H new ATOM 0 HE2 PHE B 197 -4.636 -3.328 0.136 1.00 0.15 H new ATOM 0 HZ PHE B 197 -5.035 -1.333 -1.249 1.00 0.17 H new ATOM 889 N TRP B 198 -4.080 -7.461 -2.325 1.00 0.10 N ATOM 890 CA TRP B 198 -2.775 -7.413 -1.687 1.00 0.11 C ATOM 891 C TRP B 198 -1.690 -7.977 -2.591 1.00 0.12 C ATOM 892 O TRP B 198 -0.534 -7.568 -2.509 1.00 0.13 O ATOM 893 CB TRP B 198 -2.820 -8.126 -0.339 1.00 0.11 C ATOM 894 CG TRP B 198 -3.702 -7.407 0.628 1.00 0.11 C ATOM 895 CD1 TRP B 198 -4.928 -7.798 1.073 1.00 0.12 C ATOM 896 CD2 TRP B 198 -3.435 -6.140 1.237 1.00 0.12 C ATOM 897 NE1 TRP B 198 -5.442 -6.850 1.925 1.00 0.13 N ATOM 898 CE2 TRP B 198 -4.542 -5.825 2.044 1.00 0.13 C ATOM 899 CE3 TRP B 198 -2.364 -5.244 1.180 1.00 0.13 C ATOM 900 CZ2 TRP B 198 -4.611 -4.649 2.786 1.00 0.15 C ATOM 901 CZ3 TRP B 198 -2.432 -4.079 1.917 1.00 0.16 C ATOM 902 CH2 TRP B 198 -3.549 -3.791 2.712 1.00 0.16 C ATOM 0 H TRP B 198 -4.731 -8.124 -1.904 1.00 0.10 H new ATOM 0 HA TRP B 198 -2.519 -6.369 -1.507 1.00 0.11 H new ATOM 0 HB2 TRP B 198 -3.182 -9.145 -0.476 1.00 0.11 H new ATOM 0 HB3 TRP B 198 -1.812 -8.199 0.070 1.00 0.11 H new ATOM 0 HD1 TRP B 198 -5.423 -8.717 0.797 1.00 0.12 H new ATOM 0 HE1 TRP B 198 -6.347 -6.902 2.393 1.00 0.13 H new ATOM 0 HE3 TRP B 198 -1.499 -5.459 0.570 1.00 0.13 H new ATOM 0 HZ2 TRP B 198 -5.472 -4.423 3.398 1.00 0.15 H new ATOM 0 HZ3 TRP B 198 -1.611 -3.378 1.880 1.00 0.16 H new ATOM 0 HH2 TRP B 198 -3.572 -2.872 3.278 1.00 0.16 H new ATOM 913 N ASP B 199 -2.063 -8.907 -3.457 1.00 0.13 N ATOM 914 CA ASP B 199 -1.133 -9.434 -4.448 1.00 0.16 C ATOM 915 C ASP B 199 -0.744 -8.347 -5.441 1.00 0.14 C ATOM 916 O ASP B 199 0.436 -8.146 -5.722 1.00 0.14 O ATOM 917 CB ASP B 199 -1.739 -10.624 -5.193 1.00 0.22 C ATOM 918 CG ASP B 199 -0.882 -11.060 -6.366 1.00 0.31 C ATOM 919 OD1 ASP B 199 0.206 -11.634 -6.138 1.00 1.25 O ATOM 920 OD2 ASP B 199 -1.288 -10.823 -7.522 1.00 0.99 O ATOM 0 H ASP B 199 -2.998 -9.312 -3.495 1.00 0.13 H new ATOM 0 HA ASP B 199 -0.241 -9.774 -3.922 1.00 0.16 H new ATOM 0 HB2 ASP B 199 -1.860 -11.459 -4.503 1.00 0.22 H new ATOM 0 HB3 ASP B 199 -2.734 -10.359 -5.550 1.00 0.22 H new ATOM 925 N ASP B 200 -1.741 -7.635 -5.956 1.00 0.16 N ATOM 926 CA ASP B 200 -1.491 -6.543 -6.892 1.00 0.18 C ATOM 927 C ASP B 200 -0.755 -5.404 -6.195 1.00 0.14 C ATOM 928 O ASP B 200 0.115 -4.760 -6.780 1.00 0.16 O ATOM 929 CB ASP B 200 -2.800 -6.023 -7.495 1.00 0.24 C ATOM 930 CG ASP B 200 -3.416 -6.969 -8.507 1.00 0.55 C ATOM 931 OD1 ASP B 200 -2.764 -7.261 -9.532 1.00 1.12 O ATOM 932 OD2 ASP B 200 -4.565 -7.414 -8.294 1.00 1.37 O ATOM 0 H ASP B 200 -2.726 -7.793 -5.743 1.00 0.16 H new ATOM 0 HA ASP B 200 -0.869 -6.931 -7.699 1.00 0.18 H new ATOM 0 HB2 ASP B 200 -3.516 -5.846 -6.692 1.00 0.24 H new ATOM 0 HB3 ASP B 200 -2.614 -5.062 -7.974 1.00 0.24 H new ATOM 937 N LEU B 201 -1.121 -5.165 -4.944 1.00 0.12 N ATOM 938 CA LEU B 201 -0.492 -4.141 -4.121 1.00 0.11 C ATOM 939 C LEU B 201 0.999 -4.434 -3.975 1.00 0.11 C ATOM 940 O LEU B 201 1.841 -3.561 -4.194 1.00 0.13 O ATOM 941 CB LEU B 201 -1.193 -4.113 -2.747 1.00 0.10 C ATOM 942 CG LEU B 201 -0.965 -2.878 -1.857 1.00 0.10 C ATOM 943 CD1 LEU B 201 0.436 -2.865 -1.265 1.00 0.17 C ATOM 944 CD2 LEU B 201 -1.227 -1.599 -2.633 1.00 0.13 C ATOM 0 H LEU B 201 -1.865 -5.677 -4.469 1.00 0.12 H new ATOM 0 HA LEU B 201 -0.593 -3.163 -4.591 1.00 0.11 H new ATOM 0 HB2 LEU B 201 -2.265 -4.213 -2.915 1.00 0.10 H new ATOM 0 HB3 LEU B 201 -0.874 -4.993 -2.189 1.00 0.10 H new ATOM 0 HG LEU B 201 -1.674 -2.935 -1.031 1.00 0.10 H new ATOM 0 HD11 LEU B 201 0.560 -1.979 -0.643 1.00 0.17 H new ATOM 0 HD12 LEU B 201 0.583 -3.758 -0.658 1.00 0.17 H new ATOM 0 HD13 LEU B 201 1.171 -2.849 -2.070 1.00 0.17 H new ATOM 0 HD21 LEU B 201 -1.060 -0.739 -1.984 1.00 0.13 H new ATOM 0 HD22 LEU B 201 -0.551 -1.546 -3.487 1.00 0.13 H new ATOM 0 HD23 LEU B 201 -2.258 -1.592 -2.986 1.00 0.13 H new ATOM 956 N GLN B 202 1.326 -5.678 -3.650 1.00 0.11 N ATOM 957 CA GLN B 202 2.714 -6.080 -3.512 1.00 0.12 C ATOM 958 C GLN B 202 3.407 -6.080 -4.869 1.00 0.12 C ATOM 959 O GLN B 202 4.597 -5.814 -4.959 1.00 0.13 O ATOM 960 CB GLN B 202 2.831 -7.457 -2.868 1.00 0.15 C ATOM 961 CG GLN B 202 4.273 -7.895 -2.683 1.00 0.21 C ATOM 962 CD GLN B 202 4.408 -9.264 -2.060 1.00 0.25 C ATOM 963 OE1 GLN B 202 3.569 -9.690 -1.274 1.00 0.71 O ATOM 964 NE2 GLN B 202 5.475 -9.959 -2.404 1.00 0.40 N ATOM 0 H GLN B 202 0.649 -6.422 -3.478 1.00 0.11 H new ATOM 0 HA GLN B 202 3.205 -5.356 -2.861 1.00 0.12 H new ATOM 0 HB2 GLN B 202 2.332 -7.444 -1.899 1.00 0.15 H new ATOM 0 HB3 GLN B 202 2.310 -8.188 -3.486 1.00 0.15 H new ATOM 0 HG2 GLN B 202 4.773 -7.894 -3.652 1.00 0.21 H new ATOM 0 HG3 GLN B 202 4.789 -7.167 -2.057 1.00 0.21 H new ATOM 0 HE21 GLN B 202 6.149 -9.567 -3.062 1.00 0.40 H new ATOM 0 HE22 GLN B 202 5.626 -10.889 -2.012 1.00 0.40 H new ATOM 973 N GLY B 203 2.651 -6.380 -5.919 1.00 0.14 N ATOM 974 CA GLY B 203 3.194 -6.325 -7.265 1.00 0.16 C ATOM 975 C GLY B 203 3.644 -4.926 -7.625 1.00 0.15 C ATOM 976 O GLY B 203 4.715 -4.733 -8.204 1.00 0.15 O ATOM 0 H GLY B 203 1.672 -6.660 -5.863 1.00 0.14 H new ATOM 0 HA2 GLY B 203 4.037 -7.012 -7.347 1.00 0.16 H new ATOM 0 HA3 GLY B 203 2.440 -6.660 -7.977 1.00 0.16 H new ATOM 980 N PHE B 204 2.839 -3.944 -7.238 1.00 0.15 N ATOM 981 CA PHE B 204 3.175 -2.550 -7.467 1.00 0.17 C ATOM 982 C PHE B 204 4.386 -2.172 -6.633 1.00 0.17 C ATOM 983 O PHE B 204 5.257 -1.429 -7.079 1.00 0.18 O ATOM 984 CB PHE B 204 1.993 -1.640 -7.116 1.00 0.20 C ATOM 985 CG PHE B 204 2.364 -0.184 -7.080 1.00 0.22 C ATOM 986 CD1 PHE B 204 2.590 0.519 -8.252 1.00 1.24 C ATOM 987 CD2 PHE B 204 2.509 0.474 -5.869 1.00 1.19 C ATOM 988 CE1 PHE B 204 2.953 1.850 -8.214 1.00 1.26 C ATOM 989 CE2 PHE B 204 2.868 1.805 -5.827 1.00 1.20 C ATOM 990 CZ PHE B 204 3.092 2.493 -7.000 1.00 0.32 C ATOM 0 H PHE B 204 1.948 -4.091 -6.764 1.00 0.15 H new ATOM 0 HA PHE B 204 3.407 -2.418 -8.524 1.00 0.17 H new ATOM 0 HB2 PHE B 204 1.198 -1.789 -7.846 1.00 0.20 H new ATOM 0 HB3 PHE B 204 1.593 -1.932 -6.145 1.00 0.20 H new ATOM 0 HD1 PHE B 204 2.481 0.021 -9.204 1.00 1.24 H new ATOM 0 HD2 PHE B 204 2.339 -0.062 -4.947 1.00 1.19 H new ATOM 0 HE1 PHE B 204 3.128 2.389 -9.134 1.00 1.26 H new ATOM 0 HE2 PHE B 204 2.973 2.307 -4.877 1.00 1.20 H new ATOM 0 HZ PHE B 204 3.376 3.535 -6.970 1.00 0.32 H new ATOM 1000 N LEU B 205 4.440 -2.706 -5.423 1.00 0.16 N ATOM 1001 CA LEU B 205 5.548 -2.444 -4.521 1.00 0.17 C ATOM 1002 C LEU B 205 6.840 -3.049 -5.060 1.00 0.18 C ATOM 1003 O LEU B 205 7.906 -2.472 -4.907 1.00 0.20 O ATOM 1004 CB LEU B 205 5.242 -2.988 -3.127 1.00 0.17 C ATOM 1005 CG LEU B 205 4.637 -1.986 -2.138 1.00 0.17 C ATOM 1006 CD1 LEU B 205 3.521 -1.177 -2.779 1.00 0.18 C ATOM 1007 CD2 LEU B 205 4.114 -2.716 -0.916 1.00 0.15 C ATOM 0 H LEU B 205 3.725 -3.326 -5.042 1.00 0.16 H new ATOM 0 HA LEU B 205 5.682 -1.365 -4.450 1.00 0.17 H new ATOM 0 HB2 LEU B 205 4.556 -3.829 -3.228 1.00 0.17 H new ATOM 0 HB3 LEU B 205 6.165 -3.379 -2.700 1.00 0.17 H new ATOM 0 HG LEU B 205 5.423 -1.293 -1.838 1.00 0.17 H new ATOM 0 HD11 LEU B 205 3.114 -0.476 -2.050 1.00 0.18 H new ATOM 0 HD12 LEU B 205 3.916 -0.625 -3.632 1.00 0.18 H new ATOM 0 HD13 LEU B 205 2.732 -1.849 -3.116 1.00 0.18 H new ATOM 0 HD21 LEU B 205 3.686 -1.997 -0.218 1.00 0.15 H new ATOM 0 HD22 LEU B 205 3.347 -3.429 -1.219 1.00 0.15 H new ATOM 0 HD23 LEU B 205 4.933 -3.248 -0.432 1.00 0.15 H new ATOM 1019 N GLU B 206 6.740 -4.208 -5.697 1.00 0.17 N ATOM 1020 CA GLU B 206 7.894 -4.836 -6.321 1.00 0.20 C ATOM 1021 C GLU B 206 8.426 -3.972 -7.454 1.00 0.22 C ATOM 1022 O GLU B 206 9.628 -3.745 -7.561 1.00 0.25 O ATOM 1023 CB GLU B 206 7.547 -6.224 -6.865 1.00 0.21 C ATOM 1024 CG GLU B 206 7.339 -7.281 -5.795 1.00 0.24 C ATOM 1025 CD GLU B 206 7.211 -8.673 -6.381 1.00 0.30 C ATOM 1026 OE1 GLU B 206 8.247 -9.248 -6.782 1.00 1.14 O ATOM 1027 OE2 GLU B 206 6.076 -9.195 -6.460 1.00 1.12 O ATOM 0 H GLU B 206 5.870 -4.732 -5.795 1.00 0.17 H new ATOM 0 HA GLU B 206 8.660 -4.942 -5.553 1.00 0.20 H new ATOM 0 HB2 GLU B 206 6.641 -6.149 -7.466 1.00 0.21 H new ATOM 0 HB3 GLU B 206 8.346 -6.550 -7.531 1.00 0.21 H new ATOM 0 HG2 GLU B 206 8.176 -7.258 -5.097 1.00 0.24 H new ATOM 0 HG3 GLU B 206 6.441 -7.045 -5.224 1.00 0.24 H new ATOM 1034 N GLN B 207 7.524 -3.499 -8.300 1.00 0.22 N ATOM 1035 CA GLN B 207 7.906 -2.684 -9.447 1.00 0.26 C ATOM 1036 C GLN B 207 8.475 -1.333 -9.022 1.00 0.27 C ATOM 1037 O GLN B 207 9.448 -0.852 -9.596 1.00 0.28 O ATOM 1038 CB GLN B 207 6.702 -2.485 -10.361 1.00 0.35 C ATOM 1039 CG GLN B 207 6.141 -3.790 -10.891 1.00 0.41 C ATOM 1040 CD GLN B 207 4.943 -3.591 -11.791 1.00 0.54 C ATOM 1041 OE1 GLN B 207 4.186 -2.633 -11.635 1.00 0.79 O ATOM 1042 NE2 GLN B 207 4.755 -4.497 -12.733 1.00 1.13 N ATOM 0 H GLN B 207 6.521 -3.665 -8.215 1.00 0.22 H new ATOM 0 HA GLN B 207 8.692 -3.213 -9.986 1.00 0.26 H new ATOM 0 HB2 GLN B 207 5.922 -1.955 -9.815 1.00 0.35 H new ATOM 0 HB3 GLN B 207 6.990 -1.852 -11.200 1.00 0.35 H new ATOM 0 HG2 GLN B 207 6.920 -4.318 -11.442 1.00 0.41 H new ATOM 0 HG3 GLN B 207 5.858 -4.426 -10.052 1.00 0.41 H new ATOM 0 HE21 GLN B 207 5.406 -5.276 -12.829 1.00 1.13 H new ATOM 0 HE22 GLN B 207 3.958 -4.418 -13.365 1.00 1.13 H new ATOM 1051 N ARG B 208 7.860 -0.722 -8.023 1.00 0.29 N ATOM 1052 CA ARG B 208 8.278 0.595 -7.554 1.00 0.35 C ATOM 1053 C ARG B 208 9.572 0.510 -6.737 1.00 0.36 C ATOM 1054 O ARG B 208 10.517 1.261 -6.973 1.00 0.42 O ATOM 1055 CB ARG B 208 7.156 1.214 -6.715 1.00 0.40 C ATOM 1056 CG ARG B 208 7.236 2.725 -6.566 1.00 0.71 C ATOM 1057 CD ARG B 208 7.224 3.423 -7.918 1.00 0.48 C ATOM 1058 NE ARG B 208 6.784 4.818 -7.817 1.00 1.26 N ATOM 1059 CZ ARG B 208 7.604 5.868 -7.818 1.00 1.29 C ATOM 1060 NH1 ARG B 208 8.920 5.694 -7.855 1.00 1.59 N ATOM 1061 NH2 ARG B 208 7.099 7.098 -7.787 1.00 1.98 N ATOM 0 H ARG B 208 7.066 -1.116 -7.518 1.00 0.29 H new ATOM 0 HA ARG B 208 8.477 1.226 -8.420 1.00 0.35 H new ATOM 0 HB2 ARG B 208 6.198 0.957 -7.167 1.00 0.40 H new ATOM 0 HB3 ARG B 208 7.171 0.763 -5.723 1.00 0.40 H new ATOM 0 HG2 ARG B 208 6.396 3.077 -5.967 1.00 0.71 H new ATOM 0 HG3 ARG B 208 8.146 2.990 -6.027 1.00 0.71 H new ATOM 0 HD2 ARG B 208 8.224 3.390 -8.351 1.00 0.48 H new ATOM 0 HD3 ARG B 208 6.564 2.884 -8.598 1.00 0.48 H new ATOM 0 HE ARG B 208 5.783 4.997 -7.741 1.00 1.26 H new ATOM 0 HH11 ARG B 208 9.309 4.752 -7.883 1.00 1.59 H new ATOM 0 HH12 ARG B 208 9.542 6.503 -7.856 1.00 1.59 H new ATOM 0 HH21 ARG B 208 6.088 7.234 -7.763 1.00 1.98 H new ATOM 0 HH22 ARG B 208 7.722 7.905 -7.788 1.00 1.98 H new ATOM 1075 N LEU B 209 9.602 -0.407 -5.782 1.00 0.33 N ATOM 1076 CA LEU B 209 10.731 -0.527 -4.858 1.00 0.36 C ATOM 1077 C LEU B 209 11.900 -1.285 -5.463 1.00 0.39 C ATOM 1078 O LEU B 209 13.037 -1.121 -5.028 1.00 0.45 O ATOM 1079 CB LEU B 209 10.305 -1.233 -3.567 1.00 0.33 C ATOM 1080 CG LEU B 209 9.583 -0.371 -2.525 1.00 0.33 C ATOM 1081 CD1 LEU B 209 8.453 0.425 -3.146 1.00 0.34 C ATOM 1082 CD2 LEU B 209 9.046 -1.252 -1.413 1.00 0.38 C ATOM 0 H LEU B 209 8.856 -1.084 -5.622 1.00 0.33 H new ATOM 0 HA LEU B 209 11.055 0.491 -4.641 1.00 0.36 H new ATOM 0 HB2 LEU B 209 9.654 -2.066 -3.832 1.00 0.33 H new ATOM 0 HB3 LEU B 209 11.194 -1.659 -3.101 1.00 0.33 H new ATOM 0 HG LEU B 209 10.304 0.337 -2.116 1.00 0.33 H new ATOM 0 HD11 LEU B 209 7.964 1.024 -2.377 1.00 0.34 H new ATOM 0 HD12 LEU B 209 8.852 1.082 -3.919 1.00 0.34 H new ATOM 0 HD13 LEU B 209 7.728 -0.258 -3.589 1.00 0.34 H new ATOM 0 HD21 LEU B 209 8.534 -0.635 -0.675 1.00 0.38 H new ATOM 0 HD22 LEU B 209 8.346 -1.977 -1.829 1.00 0.38 H new ATOM 0 HD23 LEU B 209 9.872 -1.779 -0.935 1.00 0.38 H new ATOM 1094 N LYS B 210 11.607 -2.102 -6.471 1.00 0.36 N ATOM 1095 CA LYS B 210 12.603 -2.977 -7.090 1.00 0.40 C ATOM 1096 C LYS B 210 13.130 -3.992 -6.082 1.00 0.38 C ATOM 1097 O LYS B 210 14.299 -4.372 -6.128 1.00 0.42 O ATOM 1098 CB LYS B 210 13.773 -2.179 -7.686 1.00 0.49 C ATOM 1099 CG LYS B 210 13.512 -1.610 -9.073 1.00 0.90 C ATOM 1100 CD LYS B 210 12.505 -0.474 -9.055 1.00 1.06 C ATOM 1101 CE LYS B 210 12.295 0.098 -10.446 1.00 1.62 C ATOM 1102 NZ LYS B 210 11.272 1.177 -10.455 1.00 2.19 N ATOM 0 H LYS B 210 10.676 -2.177 -6.882 1.00 0.36 H new ATOM 0 HA LYS B 210 12.105 -3.504 -7.903 1.00 0.40 H new ATOM 0 HB2 LYS B 210 14.017 -1.358 -7.011 1.00 0.49 H new ATOM 0 HB3 LYS B 210 14.650 -2.825 -7.732 1.00 0.49 H new ATOM 0 HG2 LYS B 210 14.450 -1.253 -9.498 1.00 0.90 H new ATOM 0 HG3 LYS B 210 13.148 -2.404 -9.725 1.00 0.90 H new ATOM 0 HD2 LYS B 210 11.555 -0.833 -8.660 1.00 1.06 H new ATOM 0 HD3 LYS B 210 12.852 0.312 -8.385 1.00 1.06 H new ATOM 0 HE2 LYS B 210 13.239 0.490 -10.823 1.00 1.62 H new ATOM 0 HE3 LYS B 210 11.988 -0.699 -11.123 1.00 1.62 H new ATOM 0 HZ1 LYS B 210 11.195 1.575 -11.413 1.00 2.19 H new ATOM 0 HZ2 LYS B 210 10.352 0.786 -10.168 1.00 2.19 H new ATOM 0 HZ3 LYS B 210 11.552 1.926 -9.790 1.00 2.19 H new ATOM 1116 N ASP B 211 12.261 -4.446 -5.183 1.00 0.34 N ATOM 1117 CA ASP B 211 12.668 -5.363 -4.127 1.00 0.34 C ATOM 1118 C ASP B 211 11.473 -6.159 -3.621 1.00 0.31 C ATOM 1119 O ASP B 211 10.498 -5.595 -3.125 1.00 0.31 O ATOM 1120 CB ASP B 211 13.310 -4.601 -2.965 1.00 0.37 C ATOM 1121 CG ASP B 211 13.885 -5.533 -1.916 1.00 0.39 C ATOM 1122 OD1 ASP B 211 14.993 -6.070 -2.135 1.00 1.11 O ATOM 1123 OD2 ASP B 211 13.233 -5.744 -0.873 1.00 1.06 O ATOM 0 H ASP B 211 11.273 -4.193 -5.166 1.00 0.34 H new ATOM 0 HA ASP B 211 13.403 -6.052 -4.544 1.00 0.34 H new ATOM 0 HB2 ASP B 211 14.101 -3.956 -3.348 1.00 0.37 H new ATOM 0 HB3 ASP B 211 12.566 -3.952 -2.503 1.00 0.37 H new ATOM 1128 N TYR B 212 11.556 -7.472 -3.772 1.00 0.30 N ATOM 1129 CA TYR B 212 10.494 -8.380 -3.360 1.00 0.29 C ATOM 1130 C TYR B 212 10.340 -8.423 -1.843 1.00 0.30 C ATOM 1131 O TYR B 212 9.221 -8.457 -1.329 1.00 0.29 O ATOM 1132 CB TYR B 212 10.784 -9.785 -3.901 1.00 0.32 C ATOM 1133 CG TYR B 212 9.932 -10.875 -3.290 1.00 0.37 C ATOM 1134 CD1 TYR B 212 8.646 -11.124 -3.748 1.00 1.35 C ATOM 1135 CD2 TYR B 212 10.422 -11.659 -2.252 1.00 1.12 C ATOM 1136 CE1 TYR B 212 7.872 -12.121 -3.189 1.00 1.41 C ATOM 1137 CE2 TYR B 212 9.654 -12.656 -1.689 1.00 1.15 C ATOM 1138 CZ TYR B 212 8.381 -12.884 -2.159 1.00 0.60 C ATOM 1139 OH TYR B 212 7.611 -13.876 -1.598 1.00 0.74 O ATOM 0 H TYR B 212 12.363 -7.940 -4.184 1.00 0.30 H new ATOM 0 HA TYR B 212 9.555 -8.011 -3.772 1.00 0.29 H new ATOM 0 HB2 TYR B 212 10.633 -9.784 -4.981 1.00 0.32 H new ATOM 0 HB3 TYR B 212 11.834 -10.020 -3.726 1.00 0.32 H new ATOM 0 HD1 TYR B 212 8.244 -10.528 -4.554 1.00 1.35 H new ATOM 0 HD2 TYR B 212 11.421 -11.484 -1.880 1.00 1.12 H new ATOM 0 HE1 TYR B 212 6.873 -12.303 -3.556 1.00 1.41 H new ATOM 0 HE2 TYR B 212 10.050 -13.255 -0.883 1.00 1.15 H new ATOM 0 HH TYR B 212 8.117 -14.320 -0.886 1.00 0.74 H new ATOM 1149 N ASP B 213 11.463 -8.417 -1.137 1.00 0.34 N ATOM 1150 CA ASP B 213 11.460 -8.583 0.313 1.00 0.38 C ATOM 1151 C ASP B 213 10.702 -7.455 0.998 1.00 0.33 C ATOM 1152 O ASP B 213 9.790 -7.702 1.791 1.00 0.30 O ATOM 1153 CB ASP B 213 12.891 -8.639 0.857 1.00 0.49 C ATOM 1154 CG ASP B 213 13.609 -9.928 0.505 1.00 1.14 C ATOM 1155 OD1 ASP B 213 14.208 -10.007 -0.587 1.00 2.00 O ATOM 1156 OD2 ASP B 213 13.591 -10.866 1.327 1.00 1.62 O ATOM 0 H ASP B 213 12.390 -8.299 -1.545 1.00 0.34 H new ATOM 0 HA ASP B 213 10.956 -9.525 0.530 1.00 0.38 H new ATOM 0 HB2 ASP B 213 13.457 -7.795 0.463 1.00 0.49 H new ATOM 0 HB3 ASP B 213 12.866 -8.528 1.941 1.00 0.49 H new ATOM 1161 N GLU B 214 11.051 -6.224 0.662 1.00 0.34 N ATOM 1162 CA GLU B 214 10.426 -5.065 1.278 1.00 0.34 C ATOM 1163 C GLU B 214 8.990 -4.924 0.799 1.00 0.26 C ATOM 1164 O GLU B 214 8.121 -4.466 1.536 1.00 0.25 O ATOM 1165 CB GLU B 214 11.213 -3.799 0.951 1.00 0.44 C ATOM 1166 CG GLU B 214 10.798 -2.592 1.775 1.00 0.56 C ATOM 1167 CD GLU B 214 11.096 -2.762 3.252 1.00 0.75 C ATOM 1168 OE1 GLU B 214 12.229 -3.168 3.588 1.00 1.48 O ATOM 1169 OE2 GLU B 214 10.204 -2.489 4.082 1.00 1.25 O ATOM 0 H GLU B 214 11.763 -6.002 -0.033 1.00 0.34 H new ATOM 0 HA GLU B 214 10.425 -5.207 2.359 1.00 0.34 H new ATOM 0 HB2 GLU B 214 12.274 -3.990 1.111 1.00 0.44 H new ATOM 0 HB3 GLU B 214 11.087 -3.567 -0.106 1.00 0.44 H new ATOM 0 HG2 GLU B 214 11.316 -1.708 1.403 1.00 0.56 H new ATOM 0 HG3 GLU B 214 9.731 -2.416 1.642 1.00 0.56 H new ATOM 1176 N ALA B 215 8.739 -5.351 -0.431 1.00 0.21 N ATOM 1177 CA ALA B 215 7.406 -5.269 -1.006 1.00 0.17 C ATOM 1178 C ALA B 215 6.454 -6.182 -0.247 1.00 0.16 C ATOM 1179 O ALA B 215 5.301 -5.834 0.013 1.00 0.15 O ATOM 1180 CB ALA B 215 7.441 -5.654 -2.475 1.00 0.16 C ATOM 0 H ALA B 215 9.442 -5.757 -1.049 1.00 0.21 H new ATOM 0 HA ALA B 215 7.051 -4.242 -0.924 1.00 0.17 H new ATOM 0 HB1 ALA B 215 6.436 -5.588 -2.892 1.00 0.16 H new ATOM 0 HB2 ALA B 215 8.103 -4.976 -3.013 1.00 0.16 H new ATOM 0 HB3 ALA B 215 7.809 -6.675 -2.575 1.00 0.16 H new ATOM 1186 N ASN B 216 6.962 -7.347 0.118 1.00 0.17 N ATOM 1187 CA ASN B 216 6.189 -8.328 0.859 1.00 0.19 C ATOM 1188 C ASN B 216 5.948 -7.839 2.280 1.00 0.18 C ATOM 1189 O ASN B 216 4.823 -7.868 2.777 1.00 0.19 O ATOM 1190 CB ASN B 216 6.923 -9.669 0.886 1.00 0.22 C ATOM 1191 CG ASN B 216 6.103 -10.781 1.518 1.00 0.33 C ATOM 1192 OD1 ASN B 216 6.642 -11.646 2.208 1.00 0.63 O ATOM 1193 ND2 ASN B 216 4.804 -10.786 1.265 1.00 0.35 N ATOM 0 H ASN B 216 7.917 -7.638 -0.090 1.00 0.17 H new ATOM 0 HA ASN B 216 5.228 -8.463 0.363 1.00 0.19 H new ATOM 0 HB2 ASN B 216 7.187 -9.953 -0.133 1.00 0.22 H new ATOM 0 HB3 ASN B 216 7.857 -9.555 1.437 1.00 0.22 H new ATOM 0 HD21 ASN B 216 4.213 -11.525 1.647 1.00 0.35 H new ATOM 0 HD22 ASN B 216 4.394 -10.051 0.688 1.00 0.35 H new ATOM 1200 N LYS B 217 7.014 -7.367 2.917 1.00 0.19 N ATOM 1201 CA LYS B 217 6.937 -6.880 4.288 1.00 0.19 C ATOM 1202 C LYS B 217 5.978 -5.702 4.396 1.00 0.17 C ATOM 1203 O LYS B 217 5.245 -5.577 5.375 1.00 0.18 O ATOM 1204 CB LYS B 217 8.321 -6.470 4.788 1.00 0.22 C ATOM 1205 CG LYS B 217 9.305 -7.621 4.854 1.00 0.26 C ATOM 1206 CD LYS B 217 10.679 -7.149 5.290 1.00 0.37 C ATOM 1207 CE LYS B 217 11.686 -8.284 5.271 1.00 1.15 C ATOM 1208 NZ LYS B 217 11.267 -9.418 6.138 1.00 1.97 N ATOM 0 H LYS B 217 7.945 -7.312 2.503 1.00 0.19 H new ATOM 0 HA LYS B 217 6.560 -7.691 4.910 1.00 0.19 H new ATOM 0 HB2 LYS B 217 8.721 -5.697 4.132 1.00 0.22 H new ATOM 0 HB3 LYS B 217 8.224 -6.028 5.780 1.00 0.22 H new ATOM 0 HG2 LYS B 217 8.939 -8.375 5.551 1.00 0.26 H new ATOM 0 HG3 LYS B 217 9.376 -8.098 3.877 1.00 0.26 H new ATOM 0 HD2 LYS B 217 11.017 -6.350 4.631 1.00 0.37 H new ATOM 0 HD3 LYS B 217 10.620 -6.730 6.294 1.00 0.37 H new ATOM 0 HE2 LYS B 217 11.813 -8.638 4.248 1.00 1.15 H new ATOM 0 HE3 LYS B 217 12.656 -7.913 5.603 1.00 1.15 H new ATOM 0 HZ1 LYS B 217 12.053 -10.093 6.231 1.00 1.97 H new ATOM 0 HZ2 LYS B 217 11.007 -9.058 7.078 1.00 1.97 H new ATOM 0 HZ3 LYS B 217 10.448 -9.897 5.712 1.00 1.97 H new ATOM 1222 N LEU B 218 5.972 -4.854 3.378 1.00 0.15 N ATOM 1223 CA LEU B 218 5.079 -3.709 3.361 1.00 0.15 C ATOM 1224 C LEU B 218 3.650 -4.162 3.119 1.00 0.13 C ATOM 1225 O LEU B 218 2.727 -3.637 3.718 1.00 0.13 O ATOM 1226 CB LEU B 218 5.500 -2.686 2.310 1.00 0.15 C ATOM 1227 CG LEU B 218 6.736 -1.857 2.659 1.00 0.17 C ATOM 1228 CD1 LEU B 218 7.045 -0.884 1.537 1.00 0.20 C ATOM 1229 CD2 LEU B 218 6.534 -1.110 3.968 1.00 0.19 C ATOM 0 H LEU B 218 6.573 -4.938 2.558 1.00 0.15 H new ATOM 0 HA LEU B 218 5.137 -3.224 4.335 1.00 0.15 H new ATOM 0 HB2 LEU B 218 5.688 -3.210 1.373 1.00 0.15 H new ATOM 0 HB3 LEU B 218 4.666 -2.007 2.134 1.00 0.15 H new ATOM 0 HG LEU B 218 7.582 -2.534 2.782 1.00 0.17 H new ATOM 0 HD11 LEU B 218 7.927 -0.298 1.796 1.00 0.20 H new ATOM 0 HD12 LEU B 218 7.234 -1.437 0.617 1.00 0.20 H new ATOM 0 HD13 LEU B 218 6.196 -0.216 1.391 1.00 0.20 H new ATOM 0 HD21 LEU B 218 7.426 -0.527 4.196 1.00 0.19 H new ATOM 0 HD22 LEU B 218 5.678 -0.442 3.877 1.00 0.19 H new ATOM 0 HD23 LEU B 218 6.353 -1.825 4.771 1.00 0.19 H new ATOM 1241 N ARG B 219 3.477 -5.133 2.229 1.00 0.13 N ATOM 1242 CA ARG B 219 2.158 -5.709 1.973 1.00 0.13 C ATOM 1243 C ARG B 219 1.540 -6.215 3.273 1.00 0.13 C ATOM 1244 O ARG B 219 0.358 -5.996 3.543 1.00 0.12 O ATOM 1245 CB ARG B 219 2.256 -6.867 0.979 1.00 0.13 C ATOM 1246 CG ARG B 219 0.901 -7.376 0.514 1.00 0.19 C ATOM 1247 CD ARG B 219 0.971 -8.830 0.084 1.00 0.17 C ATOM 1248 NE ARG B 219 1.074 -9.732 1.233 1.00 0.54 N ATOM 1249 CZ ARG B 219 1.463 -11.003 1.154 1.00 0.79 C ATOM 1250 NH1 ARG B 219 1.839 -11.518 -0.007 1.00 0.61 N ATOM 1251 NH2 ARG B 219 1.491 -11.756 2.244 1.00 1.29 N ATOM 0 H ARG B 219 4.230 -5.538 1.673 1.00 0.13 H new ATOM 0 HA ARG B 219 1.527 -4.928 1.549 1.00 0.13 H new ATOM 0 HB2 ARG B 219 2.832 -6.545 0.112 1.00 0.13 H new ATOM 0 HB3 ARG B 219 2.806 -7.687 1.440 1.00 0.13 H new ATOM 0 HG2 ARG B 219 0.175 -7.268 1.320 1.00 0.19 H new ATOM 0 HG3 ARG B 219 0.548 -6.766 -0.317 1.00 0.19 H new ATOM 0 HD2 ARG B 219 0.083 -9.081 -0.497 1.00 0.17 H new ATOM 0 HD3 ARG B 219 1.831 -8.975 -0.570 1.00 0.17 H new ATOM 0 HE ARG B 219 0.832 -9.363 2.153 1.00 0.54 H new ATOM 0 HH11 ARG B 219 1.832 -10.940 -0.848 1.00 0.61 H new ATOM 0 HH12 ARG B 219 2.136 -12.492 -0.060 1.00 0.61 H new ATOM 0 HH21 ARG B 219 1.215 -11.362 3.143 1.00 1.29 H new ATOM 0 HH22 ARG B 219 1.789 -12.730 2.184 1.00 1.29 H new ATOM 1265 N VAL B 220 2.364 -6.861 4.088 1.00 0.13 N ATOM 1266 CA VAL B 220 1.903 -7.434 5.345 1.00 0.14 C ATOM 1267 C VAL B 220 1.599 -6.322 6.338 1.00 0.14 C ATOM 1268 O VAL B 220 0.525 -6.273 6.927 1.00 0.16 O ATOM 1269 CB VAL B 220 2.954 -8.391 5.954 1.00 0.16 C ATOM 1270 CG1 VAL B 220 2.463 -8.963 7.276 1.00 0.19 C ATOM 1271 CG2 VAL B 220 3.287 -9.510 4.981 1.00 0.16 C ATOM 0 H VAL B 220 3.357 -7.001 3.900 1.00 0.13 H new ATOM 0 HA VAL B 220 1.000 -8.007 5.137 1.00 0.14 H new ATOM 0 HB VAL B 220 3.862 -7.819 6.146 1.00 0.16 H new ATOM 0 HG11 VAL B 220 3.219 -9.633 7.686 1.00 0.19 H new ATOM 0 HG12 VAL B 220 2.280 -8.150 7.979 1.00 0.19 H new ATOM 0 HG13 VAL B 220 1.538 -9.516 7.112 1.00 0.19 H new ATOM 0 HG21 VAL B 220 4.028 -10.172 5.428 1.00 0.16 H new ATOM 0 HG22 VAL B 220 2.384 -10.076 4.755 1.00 0.16 H new ATOM 0 HG23 VAL B 220 3.688 -9.085 4.061 1.00 0.16 H new ATOM 1281 N LEU B 221 2.556 -5.416 6.473 1.00 0.12 N ATOM 1282 CA LEU B 221 2.459 -4.291 7.392 1.00 0.13 C ATOM 1283 C LEU B 221 1.215 -3.456 7.106 1.00 0.11 C ATOM 1284 O LEU B 221 0.434 -3.141 8.007 1.00 0.12 O ATOM 1285 CB LEU B 221 3.718 -3.429 7.265 1.00 0.15 C ATOM 1286 CG LEU B 221 3.741 -2.149 8.097 1.00 0.16 C ATOM 1287 CD1 LEU B 221 3.628 -2.463 9.581 1.00 0.20 C ATOM 1288 CD2 LEU B 221 5.013 -1.366 7.812 1.00 0.25 C ATOM 0 H LEU B 221 3.428 -5.441 5.944 1.00 0.12 H new ATOM 0 HA LEU B 221 2.376 -4.672 8.410 1.00 0.13 H new ATOM 0 HB2 LEU B 221 4.579 -4.036 7.545 1.00 0.15 H new ATOM 0 HB3 LEU B 221 3.845 -3.159 6.217 1.00 0.15 H new ATOM 0 HG LEU B 221 2.882 -1.540 7.817 1.00 0.16 H new ATOM 0 HD11 LEU B 221 3.647 -1.535 10.152 1.00 0.20 H new ATOM 0 HD12 LEU B 221 2.692 -2.987 9.772 1.00 0.20 H new ATOM 0 HD13 LEU B 221 4.465 -3.092 9.884 1.00 0.20 H new ATOM 0 HD21 LEU B 221 5.021 -0.455 8.410 1.00 0.25 H new ATOM 0 HD22 LEU B 221 5.880 -1.975 8.068 1.00 0.25 H new ATOM 0 HD23 LEU B 221 5.051 -1.106 6.754 1.00 0.25 H new ATOM 1300 N PHE B 222 1.032 -3.124 5.839 1.00 0.10 N ATOM 1301 CA PHE B 222 -0.099 -2.326 5.407 1.00 0.10 C ATOM 1302 C PHE B 222 -1.396 -3.083 5.636 1.00 0.10 C ATOM 1303 O PHE B 222 -2.404 -2.492 6.010 1.00 0.11 O ATOM 1304 CB PHE B 222 0.032 -1.955 3.926 1.00 0.10 C ATOM 1305 CG PHE B 222 1.209 -1.070 3.602 1.00 0.10 C ATOM 1306 CD1 PHE B 222 1.988 -0.513 4.607 1.00 1.23 C ATOM 1307 CD2 PHE B 222 1.534 -0.794 2.282 1.00 1.16 C ATOM 1308 CE1 PHE B 222 3.063 0.293 4.302 1.00 1.24 C ATOM 1309 CE2 PHE B 222 2.610 0.016 1.972 1.00 1.16 C ATOM 1310 CZ PHE B 222 3.376 0.560 2.983 1.00 0.12 C ATOM 0 H PHE B 222 1.661 -3.400 5.085 1.00 0.10 H new ATOM 0 HA PHE B 222 -0.112 -1.409 5.996 1.00 0.10 H new ATOM 0 HB2 PHE B 222 0.111 -2.871 3.341 1.00 0.10 H new ATOM 0 HB3 PHE B 222 -0.882 -1.453 3.609 1.00 0.10 H new ATOM 0 HD1 PHE B 222 1.748 -0.714 5.641 1.00 1.23 H new ATOM 0 HD2 PHE B 222 0.939 -1.217 1.487 1.00 1.16 H new ATOM 0 HE1 PHE B 222 3.662 0.717 5.095 1.00 1.24 H new ATOM 0 HE2 PHE B 222 2.851 0.223 0.940 1.00 1.16 H new ATOM 0 HZ PHE B 222 4.218 1.193 2.744 1.00 0.12 H new ATOM 1320 N LYS B 223 -1.366 -4.393 5.426 1.00 0.10 N ATOM 1321 CA LYS B 223 -2.548 -5.213 5.638 1.00 0.11 C ATOM 1322 C LYS B 223 -2.913 -5.264 7.116 1.00 0.12 C ATOM 1323 O LYS B 223 -4.087 -5.343 7.469 1.00 0.14 O ATOM 1324 CB LYS B 223 -2.340 -6.628 5.106 1.00 0.12 C ATOM 1325 CG LYS B 223 -3.613 -7.453 5.125 1.00 0.13 C ATOM 1326 CD LYS B 223 -3.379 -8.863 4.620 1.00 0.20 C ATOM 1327 CE LYS B 223 -4.682 -9.632 4.534 1.00 0.24 C ATOM 1328 NZ LYS B 223 -4.464 -11.064 4.201 1.00 0.35 N ATOM 0 H LYS B 223 -0.542 -4.906 5.112 1.00 0.10 H new ATOM 0 HA LYS B 223 -3.369 -4.754 5.087 1.00 0.11 H new ATOM 0 HB2 LYS B 223 -1.961 -6.576 4.085 1.00 0.12 H new ATOM 0 HB3 LYS B 223 -1.578 -7.128 5.704 1.00 0.12 H new ATOM 0 HG2 LYS B 223 -4.006 -7.492 6.141 1.00 0.13 H new ATOM 0 HG3 LYS B 223 -4.370 -6.967 4.509 1.00 0.13 H new ATOM 0 HD2 LYS B 223 -2.908 -8.828 3.638 1.00 0.20 H new ATOM 0 HD3 LYS B 223 -2.690 -9.382 5.286 1.00 0.20 H new ATOM 0 HE2 LYS B 223 -5.210 -9.557 5.485 1.00 0.24 H new ATOM 0 HE3 LYS B 223 -5.322 -9.177 3.778 1.00 0.24 H new ATOM 0 HZ1 LYS B 223 -5.381 -11.553 4.152 1.00 0.35 H new ATOM 0 HZ2 LYS B 223 -3.983 -11.137 3.282 1.00 0.35 H new ATOM 0 HZ3 LYS B 223 -3.875 -11.506 4.936 1.00 0.35 H new ATOM 1342 N GLU B 224 -1.910 -5.196 7.979 1.00 0.12 N ATOM 1343 CA GLU B 224 -2.145 -5.225 9.417 1.00 0.14 C ATOM 1344 C GLU B 224 -2.690 -3.880 9.870 1.00 0.14 C ATOM 1345 O GLU B 224 -3.492 -3.798 10.801 1.00 0.16 O ATOM 1346 CB GLU B 224 -0.855 -5.558 10.170 1.00 0.17 C ATOM 1347 CG GLU B 224 -0.241 -6.883 9.752 1.00 0.24 C ATOM 1348 CD GLU B 224 1.010 -7.223 10.528 1.00 1.36 C ATOM 1349 OE1 GLU B 224 2.091 -6.702 10.189 1.00 2.27 O ATOM 1350 OE2 GLU B 224 0.924 -8.032 11.473 1.00 1.92 O ATOM 0 H GLU B 224 -0.929 -5.121 7.711 1.00 0.12 H new ATOM 0 HA GLU B 224 -2.876 -6.003 9.640 1.00 0.14 H new ATOM 0 HB2 GLU B 224 -0.130 -4.761 10.005 1.00 0.17 H new ATOM 0 HB3 GLU B 224 -1.063 -5.583 11.240 1.00 0.17 H new ATOM 0 HG2 GLU B 224 -0.975 -7.677 9.890 1.00 0.24 H new ATOM 0 HG3 GLU B 224 -0.005 -6.849 8.689 1.00 0.24 H new ATOM 1357 N ALA B 225 -2.265 -2.831 9.182 1.00 0.14 N ATOM 1358 CA ALA B 225 -2.771 -1.494 9.435 1.00 0.15 C ATOM 1359 C ALA B 225 -4.225 -1.406 8.997 1.00 0.15 C ATOM 1360 O ALA B 225 -5.068 -0.839 9.690 1.00 0.16 O ATOM 1361 CB ALA B 225 -1.930 -0.462 8.705 1.00 0.15 C ATOM 0 H ALA B 225 -1.567 -2.883 8.440 1.00 0.14 H new ATOM 0 HA ALA B 225 -2.710 -1.286 10.503 1.00 0.15 H new ATOM 0 HB1 ALA B 225 -2.323 0.535 8.905 1.00 0.15 H new ATOM 0 HB2 ALA B 225 -0.898 -0.522 9.052 1.00 0.15 H new ATOM 0 HB3 ALA B 225 -1.964 -0.657 7.633 1.00 0.15 H new ATOM 1367 N TRP B 226 -4.507 -2.005 7.847 1.00 0.15 N ATOM 1368 CA TRP B 226 -5.855 -2.069 7.311 1.00 0.16 C ATOM 1369 C TRP B 226 -6.749 -2.890 8.235 1.00 0.17 C ATOM 1370 O TRP B 226 -7.915 -2.562 8.441 1.00 0.19 O ATOM 1371 CB TRP B 226 -5.826 -2.673 5.903 1.00 0.16 C ATOM 1372 CG TRP B 226 -7.180 -3.001 5.365 1.00 0.15 C ATOM 1373 CD1 TRP B 226 -8.116 -2.126 4.900 1.00 0.16 C ATOM 1374 CD2 TRP B 226 -7.750 -4.305 5.242 1.00 0.15 C ATOM 1375 NE1 TRP B 226 -9.238 -2.807 4.498 1.00 0.17 N ATOM 1376 CE2 TRP B 226 -9.035 -4.149 4.697 1.00 0.16 C ATOM 1377 CE3 TRP B 226 -7.292 -5.589 5.544 1.00 0.16 C ATOM 1378 CZ2 TRP B 226 -9.870 -5.235 4.446 1.00 0.17 C ATOM 1379 CZ3 TRP B 226 -8.119 -6.663 5.295 1.00 0.18 C ATOM 1380 CH2 TRP B 226 -9.396 -6.481 4.752 1.00 0.18 C ATOM 0 H TRP B 226 -3.806 -2.459 7.262 1.00 0.15 H new ATOM 0 HA TRP B 226 -6.265 -1.061 7.247 1.00 0.16 H new ATOM 0 HB2 TRP B 226 -5.335 -1.973 5.227 1.00 0.16 H new ATOM 0 HB3 TRP B 226 -5.221 -3.579 5.918 1.00 0.16 H new ATOM 0 HD1 TRP B 226 -7.993 -1.054 4.855 1.00 0.16 H new ATOM 0 HE1 TRP B 226 -10.084 -2.385 4.114 1.00 0.17 H new ATOM 0 HE3 TRP B 226 -6.308 -5.738 5.965 1.00 0.16 H new ATOM 0 HZ2 TRP B 226 -10.855 -5.098 4.025 1.00 0.17 H new ATOM 0 HZ3 TRP B 226 -7.776 -7.661 5.523 1.00 0.18 H new ATOM 0 HH2 TRP B 226 -10.021 -7.343 4.571 1.00 0.18 H new ATOM 1391 N ARG B 227 -6.192 -3.950 8.802 1.00 0.18 N ATOM 1392 CA ARG B 227 -6.915 -4.758 9.770 1.00 0.21 C ATOM 1393 C ARG B 227 -7.239 -3.943 11.015 1.00 0.24 C ATOM 1394 O ARG B 227 -8.298 -4.111 11.620 1.00 0.25 O ATOM 1395 CB ARG B 227 -6.115 -6.004 10.143 1.00 0.24 C ATOM 1396 CG ARG B 227 -6.170 -7.103 9.093 1.00 0.27 C ATOM 1397 CD ARG B 227 -7.582 -7.642 8.936 1.00 0.38 C ATOM 1398 NE ARG B 227 -7.651 -8.764 8.001 1.00 0.98 N ATOM 1399 CZ ARG B 227 -8.785 -9.215 7.463 1.00 1.26 C ATOM 1400 NH1 ARG B 227 -9.946 -8.644 7.768 1.00 0.71 N ATOM 1401 NH2 ARG B 227 -8.759 -10.241 6.625 1.00 2.25 N ATOM 0 H ARG B 227 -5.243 -4.269 8.608 1.00 0.18 H new ATOM 0 HA ARG B 227 -7.851 -5.077 9.312 1.00 0.21 H new ATOM 0 HB2 ARG B 227 -5.075 -5.722 10.307 1.00 0.24 H new ATOM 0 HB3 ARG B 227 -6.491 -6.397 11.088 1.00 0.24 H new ATOM 0 HG2 ARG B 227 -5.818 -6.715 8.137 1.00 0.27 H new ATOM 0 HG3 ARG B 227 -5.498 -7.913 9.375 1.00 0.27 H new ATOM 0 HD2 ARG B 227 -7.957 -7.960 9.909 1.00 0.38 H new ATOM 0 HD3 ARG B 227 -8.236 -6.843 8.588 1.00 0.38 H new ATOM 0 HE ARG B 227 -6.780 -9.229 7.745 1.00 0.98 H new ATOM 0 HH11 ARG B 227 -9.973 -7.857 8.416 1.00 0.71 H new ATOM 0 HH12 ARG B 227 -10.810 -8.993 7.354 1.00 0.71 H new ATOM 0 HH21 ARG B 227 -7.872 -10.686 6.391 1.00 2.25 H new ATOM 0 HH22 ARG B 227 -9.626 -10.586 6.214 1.00 2.25 H new ATOM 1415 N SER B 228 -6.337 -3.043 11.385 1.00 0.28 N ATOM 1416 CA SER B 228 -6.541 -2.177 12.540 1.00 0.33 C ATOM 1417 C SER B 228 -7.557 -1.078 12.225 1.00 0.36 C ATOM 1418 O SER B 228 -8.018 -0.371 13.120 1.00 0.40 O ATOM 1419 CB SER B 228 -5.201 -1.561 12.958 1.00 0.36 C ATOM 1420 OG SER B 228 -5.312 -0.818 14.163 1.00 1.18 O ATOM 0 H SER B 228 -5.453 -2.893 10.899 1.00 0.28 H new ATOM 0 HA SER B 228 -6.937 -2.773 13.362 1.00 0.33 H new ATOM 0 HB2 SER B 228 -4.462 -2.352 13.086 1.00 0.36 H new ATOM 0 HB3 SER B 228 -4.837 -0.911 12.163 1.00 0.36 H new ATOM 0 HG SER B 228 -6.232 -0.497 14.266 1.00 1.18 H new ATOM 1426 N SER B 229 -7.914 -0.951 10.951 1.00 0.34 N ATOM 1427 CA SER B 229 -8.876 0.052 10.519 1.00 0.37 C ATOM 1428 C SER B 229 -10.295 -0.370 10.905 1.00 0.38 C ATOM 1429 O SER B 229 -11.234 0.427 10.854 1.00 0.42 O ATOM 1430 CB SER B 229 -8.764 0.256 9.002 1.00 0.34 C ATOM 1431 OG SER B 229 -9.563 1.336 8.552 1.00 0.93 O ATOM 0 H SER B 229 -7.549 -1.534 10.198 1.00 0.34 H new ATOM 0 HA SER B 229 -8.656 0.996 11.017 1.00 0.37 H new ATOM 0 HB2 SER B 229 -7.723 0.440 8.737 1.00 0.34 H new ATOM 0 HB3 SER B 229 -9.067 -0.657 8.490 1.00 0.34 H new ATOM 0 HG SER B 229 -9.463 1.435 7.582 1.00 0.93 H new ATOM 1437 N PHE B 230 -10.437 -1.629 11.302 1.00 0.36 N ATOM 1438 CA PHE B 230 -11.723 -2.160 11.726 1.00 0.38 C ATOM 1439 C PHE B 230 -11.810 -2.194 13.245 1.00 0.51 C ATOM 1440 O PHE B 230 -12.316 -1.219 13.837 1.00 1.21 O ATOM 1441 CB PHE B 230 -11.937 -3.562 11.161 1.00 0.31 C ATOM 1442 CG PHE B 230 -11.948 -3.607 9.663 1.00 0.30 C ATOM 1443 CD1 PHE B 230 -13.080 -3.243 8.956 1.00 1.21 C ATOM 1444 CD2 PHE B 230 -10.825 -4.007 8.963 1.00 1.21 C ATOM 1445 CE1 PHE B 230 -13.093 -3.279 7.576 1.00 1.22 C ATOM 1446 CE2 PHE B 230 -10.830 -4.046 7.585 1.00 1.27 C ATOM 1447 CZ PHE B 230 -11.965 -3.682 6.889 1.00 0.47 C ATOM 1448 OXT PHE B 230 -11.357 -3.192 13.845 1.00 1.23 O ATOM 0 H PHE B 230 -9.672 -2.303 11.338 1.00 0.36 H new ATOM 0 HA PHE B 230 -12.505 -1.505 11.343 1.00 0.38 H new ATOM 0 HB2 PHE B 230 -11.149 -4.218 11.531 1.00 0.31 H new ATOM 0 HB3 PHE B 230 -12.882 -3.956 11.535 1.00 0.31 H new ATOM 0 HD1 PHE B 230 -13.964 -2.927 9.490 1.00 1.21 H new ATOM 0 HD2 PHE B 230 -9.934 -4.292 9.502 1.00 1.21 H new ATOM 0 HE1 PHE B 230 -13.983 -2.993 7.035 1.00 1.22 H new ATOM 0 HE2 PHE B 230 -9.946 -4.361 7.050 1.00 1.27 H new ATOM 0 HZ PHE B 230 -11.971 -3.712 5.809 1.00 0.47 H new TER 1458 PHE B 230