USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 749 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -144:sc= -0.385 USER MOD Single : A 17 SER OG : rot 57:sc= 0.708 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.014) USER MOD Single : A 41 MET CE :methyl 172:sc= -1.33 (180deg=-1.44) USER MOD Single : A 43 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.4!) USER MOD Single : A 45 SER OG : rot 89:sc= 0.414 USER MOD Single : A 46 THR OG1 : rot -89:sc= 1.27 USER MOD Single : A 56 THR OG1 : rot 8:sc= -1.18! USER MOD Single : A 59 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.45) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 157:sc= 0.254 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.109) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -94:sc= 0.481 USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.8) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 66:sc= 0.573 USER MOD Single : A 101 SER OG : rot -45:sc= 0.845 USER MOD Single : A 102 THR OG1 : rot 147:sc= 0.0532 USER MOD Single : A 108 ASN : amide:sc= -0.0354 K(o=-0.035,f=-0.66) USER MOD Single : A 109 MET CE :methyl 150:sc= -0.131 (180deg=-0.886) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0555 X(o=-0.055,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 8.301 8.621 6.179 1.00 5.10 N ATOM 93 CA ARG A 7 8.703 7.487 7.002 1.00 70.51 C ATOM 94 C ARG A 7 7.956 6.222 6.586 1.00 4.34 C ATOM 95 O ARG A 7 8.554 5.155 6.443 1.00 13.42 O ATOM 96 CB ARG A 7 8.442 7.783 8.480 1.00 51.43 C ATOM 97 CG ARG A 7 9.621 8.430 9.189 1.00 71.34 C ATOM 98 CD ARG A 7 9.172 9.223 10.406 1.00 22.21 C ATOM 99 NE ARG A 7 10.138 9.142 11.498 1.00 22.14 N ATOM 100 CZ ARG A 7 9.897 9.585 12.727 1.00 33.33 C ATOM 101 NH1 ARG A 7 8.727 10.136 13.019 1.00 51.42 N ATOM 102 NH2 ARG A 7 10.826 9.476 13.668 1.00 64.42 N ATOM 0 HA ARG A 7 9.771 7.324 6.855 1.00 70.51 H new ATOM 0 HB2 ARG A 7 7.575 8.438 8.563 1.00 51.43 H new ATOM 0 HB3 ARG A 7 8.189 6.853 8.989 1.00 51.43 H new ATOM 0 HG2 ARG A 7 10.329 7.660 9.496 1.00 71.34 H new ATOM 0 HG3 ARG A 7 10.146 9.089 8.497 1.00 71.34 H new ATOM 0 HD2 ARG A 7 9.028 10.267 10.126 1.00 22.21 H new ATOM 0 HD3 ARG A 7 8.207 8.848 10.747 1.00 22.21 H new ATOM 0 HE ARG A 7 11.048 8.722 11.307 1.00 22.14 H new ATOM 0 HH11 ARG A 7 8.009 10.221 12.299 1.00 51.42 H new ATOM 0 HH12 ARG A 7 8.545 10.475 13.963 1.00 51.42 H new ATOM 0 HH21 ARG A 7 11.727 9.052 13.448 1.00 64.42 H new ATOM 0 HH22 ARG A 7 10.639 9.817 14.611 1.00 64.42 H new ATOM 116 N ASP A 8 6.648 6.350 6.395 1.00 0.21 N ATOM 117 CA ASP A 8 5.819 5.219 5.996 1.00 65.54 C ATOM 118 C ASP A 8 6.381 4.549 4.745 1.00 31.33 C ATOM 119 O ASP A 8 6.383 3.323 4.634 1.00 24.33 O ATOM 120 CB ASP A 8 4.382 5.676 5.743 1.00 60.34 C ATOM 121 CG ASP A 8 3.505 5.536 6.972 1.00 44.43 C ATOM 122 OD1 ASP A 8 4.058 5.473 8.090 1.00 53.33 O ATOM 123 OD2 ASP A 8 2.267 5.490 6.815 1.00 21.44 O ATOM 0 H ASP A 8 6.139 7.226 6.510 1.00 0.21 H new ATOM 0 HA ASP A 8 5.822 4.493 6.809 1.00 65.54 H new ATOM 0 HB2 ASP A 8 4.386 6.717 5.420 1.00 60.34 H new ATOM 0 HB3 ASP A 8 3.956 5.091 4.928 1.00 60.34 H new ATOM 128 N TRP A 9 6.854 5.361 3.807 1.00 21.03 N ATOM 129 CA TRP A 9 7.417 4.847 2.564 1.00 21.50 C ATOM 130 C TRP A 9 8.727 4.111 2.823 1.00 21.20 C ATOM 131 O TRP A 9 8.855 2.925 2.519 1.00 24.42 O ATOM 132 CB TRP A 9 7.647 5.989 1.573 1.00 34.20 C ATOM 133 CG TRP A 9 8.374 5.563 0.334 1.00 63.01 C ATOM 134 CD1 TRP A 9 9.724 5.586 0.127 1.00 1.43 C ATOM 135 CD2 TRP A 9 7.791 5.052 -0.870 1.00 10.23 C ATOM 136 NE1 TRP A 9 10.015 5.121 -1.132 1.00 50.05 N ATOM 137 CE2 TRP A 9 8.846 4.786 -1.764 1.00 4.02 C ATOM 138 CE3 TRP A 9 6.480 4.792 -1.278 1.00 63.15 C ATOM 139 CZ2 TRP A 9 8.629 4.274 -3.040 1.00 41.12 C ATOM 140 CZ3 TRP A 9 6.266 4.284 -2.546 1.00 2.23 C ATOM 141 CH2 TRP A 9 7.336 4.029 -3.414 1.00 72.22 C ATOM 0 H TRP A 9 6.859 6.378 3.883 1.00 21.03 H new ATOM 0 HA TRP A 9 6.704 4.142 2.136 1.00 21.50 H new ATOM 0 HB2 TRP A 9 6.684 6.416 1.292 1.00 34.20 H new ATOM 0 HB3 TRP A 9 8.215 6.779 2.065 1.00 34.20 H new ATOM 0 HD1 TRP A 9 10.455 5.921 0.848 1.00 1.43 H new ATOM 0 HE1 TRP A 9 10.950 5.038 -1.532 1.00 50.05 H new ATOM 0 HE3 TRP A 9 5.649 4.984 -0.615 1.00 63.15 H new ATOM 0 HZ2 TRP A 9 9.452 4.077 -3.711 1.00 41.12 H new ATOM 0 HZ3 TRP A 9 5.257 4.080 -2.873 1.00 2.23 H new ATOM 0 HH2 TRP A 9 7.136 3.631 -4.398 1.00 72.22 H new ATOM 152 N LYS A 10 9.698 4.821 3.386 1.00 4.33 N ATOM 153 CA LYS A 10 10.999 4.236 3.688 1.00 21.31 C ATOM 154 C LYS A 10 10.847 2.992 4.558 1.00 3.12 C ATOM 155 O LYS A 10 11.691 2.097 4.529 1.00 31.45 O ATOM 156 CB LYS A 10 11.891 5.259 4.394 1.00 11.43 C ATOM 157 CG LYS A 10 12.724 6.099 3.442 1.00 4.42 C ATOM 158 CD LYS A 10 13.610 7.080 4.193 1.00 71.12 C ATOM 159 CE LYS A 10 14.046 8.232 3.301 1.00 10.42 C ATOM 160 NZ LYS A 10 14.626 9.355 4.089 1.00 32.15 N ATOM 0 H LYS A 10 9.609 5.804 3.643 1.00 4.33 H new ATOM 0 HA LYS A 10 11.466 3.946 2.747 1.00 21.31 H new ATOM 0 HB2 LYS A 10 11.266 5.919 4.996 1.00 11.43 H new ATOM 0 HB3 LYS A 10 12.556 4.736 5.081 1.00 11.43 H new ATOM 0 HG2 LYS A 10 13.343 5.447 2.826 1.00 4.42 H new ATOM 0 HG3 LYS A 10 12.066 6.645 2.766 1.00 4.42 H new ATOM 0 HD2 LYS A 10 13.072 7.471 5.057 1.00 71.12 H new ATOM 0 HD3 LYS A 10 14.489 6.560 4.574 1.00 71.12 H new ATOM 0 HE2 LYS A 10 14.782 7.875 2.581 1.00 10.42 H new ATOM 0 HE3 LYS A 10 13.191 8.593 2.730 1.00 10.42 H new ATOM 0 HZ1 LYS A 10 14.911 10.120 3.445 1.00 32.15 H new ATOM 0 HZ2 LYS A 10 13.915 9.713 4.759 1.00 32.15 H new ATOM 0 HZ3 LYS A 10 15.458 9.017 4.614 1.00 32.15 H new ATOM 174 N MET A 11 9.766 2.944 5.330 1.00 61.54 N ATOM 175 CA MET A 11 9.503 1.808 6.206 1.00 63.34 C ATOM 176 C MET A 11 9.059 0.591 5.400 1.00 55.21 C ATOM 177 O MET A 11 9.707 -0.454 5.428 1.00 61.21 O ATOM 178 CB MET A 11 8.434 2.169 7.238 1.00 55.22 C ATOM 179 CG MET A 11 8.234 1.105 8.305 1.00 62.03 C ATOM 180 SD MET A 11 9.103 1.487 9.838 1.00 41.03 S ATOM 181 CE MET A 11 7.762 1.390 11.020 1.00 15.35 C ATOM 0 H MET A 11 9.059 3.678 5.367 1.00 61.54 H new ATOM 0 HA MET A 11 10.429 1.560 6.725 1.00 63.34 H new ATOM 0 HB2 MET A 11 8.708 3.108 7.720 1.00 55.22 H new ATOM 0 HB3 MET A 11 7.488 2.339 6.724 1.00 55.22 H new ATOM 0 HG2 MET A 11 7.169 0.999 8.512 1.00 62.03 H new ATOM 0 HG3 MET A 11 8.582 0.145 7.924 1.00 62.03 H new ATOM 0 HE1 MET A 11 8.142 1.603 12.019 1.00 15.35 H new ATOM 0 HE2 MET A 11 6.995 2.119 10.761 1.00 15.35 H new ATOM 0 HE3 MET A 11 7.332 0.389 11.001 1.00 15.35 H new ATOM 191 N ALA A 12 7.949 0.735 4.683 1.00 14.22 N ATOM 192 CA ALA A 12 7.419 -0.351 3.869 1.00 72.42 C ATOM 193 C ALA A 12 8.483 -0.898 2.923 1.00 0.12 C ATOM 194 O ALA A 12 8.588 -2.109 2.725 1.00 10.33 O ATOM 195 CB ALA A 12 6.205 0.121 3.083 1.00 14.43 C ATOM 0 H ALA A 12 7.400 1.594 4.650 1.00 14.22 H new ATOM 0 HA ALA A 12 7.115 -1.157 4.537 1.00 72.42 H new ATOM 0 HB1 ALA A 12 5.820 -0.701 2.480 1.00 14.43 H new ATOM 0 HB2 ALA A 12 5.432 0.457 3.774 1.00 14.43 H new ATOM 0 HB3 ALA A 12 6.492 0.946 2.431 1.00 14.43 H new ATOM 201 N ILE A 13 9.269 0.002 2.342 1.00 62.45 N ATOM 202 CA ILE A 13 10.325 -0.392 1.417 1.00 43.40 C ATOM 203 C ILE A 13 11.473 -1.076 2.152 1.00 12.21 C ATOM 204 O ILE A 13 12.089 -2.007 1.634 1.00 22.32 O ATOM 205 CB ILE A 13 10.876 0.821 0.643 1.00 24.24 C ATOM 206 CG1 ILE A 13 9.757 1.501 -0.146 1.00 55.34 C ATOM 207 CG2 ILE A 13 12.001 0.389 -0.286 1.00 52.31 C ATOM 208 CD1 ILE A 13 9.170 0.631 -1.236 1.00 22.13 C ATOM 0 H ILE A 13 9.195 1.008 2.495 1.00 62.45 H new ATOM 0 HA ILE A 13 9.881 -1.093 0.710 1.00 43.40 H new ATOM 0 HB ILE A 13 11.277 1.539 1.358 1.00 24.24 H new ATOM 0 HG12 ILE A 13 8.963 1.792 0.542 1.00 55.34 H new ATOM 0 HG13 ILE A 13 10.143 2.417 -0.592 1.00 55.34 H new ATOM 0 HG21 ILE A 13 12.380 1.257 -0.826 1.00 52.31 H new ATOM 0 HG22 ILE A 13 12.806 -0.054 0.300 1.00 52.31 H new ATOM 0 HG23 ILE A 13 11.623 -0.345 -0.998 1.00 52.31 H new ATOM 0 HD11 ILE A 13 8.382 1.178 -1.754 1.00 22.13 H new ATOM 0 HD12 ILE A 13 9.951 0.361 -1.946 1.00 22.13 H new ATOM 0 HD13 ILE A 13 8.753 -0.274 -0.794 1.00 22.13 H new ATOM 220 N LYS A 14 11.754 -0.609 3.364 1.00 51.22 N ATOM 221 CA LYS A 14 12.825 -1.177 4.174 1.00 43.44 C ATOM 222 C LYS A 14 12.607 -2.670 4.395 1.00 40.11 C ATOM 223 O LYS A 14 13.523 -3.473 4.218 1.00 31.41 O ATOM 224 CB LYS A 14 12.909 -0.457 5.522 1.00 63.42 C ATOM 225 CG LYS A 14 14.062 0.528 5.615 1.00 74.12 C ATOM 226 CD LYS A 14 15.299 -0.117 6.216 1.00 2.42 C ATOM 227 CE LYS A 14 15.745 0.604 7.479 1.00 1.22 C ATOM 228 NZ LYS A 14 17.077 0.131 7.947 1.00 44.12 N ATOM 0 H LYS A 14 11.254 0.162 3.807 1.00 51.22 H new ATOM 0 HA LYS A 14 13.764 -1.041 3.637 1.00 43.44 H new ATOM 0 HB2 LYS A 14 11.974 0.074 5.700 1.00 63.42 H new ATOM 0 HB3 LYS A 14 13.011 -1.198 6.315 1.00 63.42 H new ATOM 0 HG2 LYS A 14 14.296 0.910 4.621 1.00 74.12 H new ATOM 0 HG3 LYS A 14 13.764 1.382 6.223 1.00 74.12 H new ATOM 0 HD2 LYS A 14 15.091 -1.162 6.446 1.00 2.42 H new ATOM 0 HD3 LYS A 14 16.108 -0.107 5.485 1.00 2.42 H new ATOM 0 HE2 LYS A 14 15.787 1.677 7.289 1.00 1.22 H new ATOM 0 HE3 LYS A 14 15.007 0.448 8.266 1.00 1.22 H new ATOM 0 HZ1 LYS A 14 17.345 0.647 8.810 1.00 44.12 H new ATOM 0 HZ2 LYS A 14 17.031 -0.887 8.153 1.00 44.12 H new ATOM 0 HZ3 LYS A 14 17.786 0.303 7.206 1.00 44.12 H new ATOM 242 N ARG A 15 11.389 -3.034 4.781 1.00 73.51 N ATOM 243 CA ARG A 15 11.051 -4.431 5.026 1.00 71.43 C ATOM 244 C ARG A 15 10.836 -5.177 3.712 1.00 64.21 C ATOM 245 O ARG A 15 11.136 -6.367 3.606 1.00 34.21 O ATOM 246 CB ARG A 15 9.794 -4.530 5.892 1.00 73.14 C ATOM 247 CG ARG A 15 10.072 -4.434 7.383 1.00 61.12 C ATOM 248 CD ARG A 15 10.461 -5.784 7.965 1.00 73.11 C ATOM 249 NE ARG A 15 10.570 -5.742 9.421 1.00 53.43 N ATOM 250 CZ ARG A 15 11.573 -5.157 10.066 1.00 51.23 C ATOM 251 NH1 ARG A 15 12.548 -4.568 9.387 1.00 21.13 N ATOM 252 NH2 ARG A 15 11.602 -5.160 11.392 1.00 13.33 N ATOM 0 H ARG A 15 10.620 -2.381 4.931 1.00 73.51 H new ATOM 0 HA ARG A 15 11.885 -4.893 5.554 1.00 71.43 H new ATOM 0 HB2 ARG A 15 9.104 -3.736 5.608 1.00 73.14 H new ATOM 0 HB3 ARG A 15 9.294 -5.476 5.685 1.00 73.14 H new ATOM 0 HG2 ARG A 15 10.873 -3.716 7.559 1.00 61.12 H new ATOM 0 HG3 ARG A 15 9.187 -4.057 7.896 1.00 61.12 H new ATOM 0 HD2 ARG A 15 9.719 -6.529 7.678 1.00 73.11 H new ATOM 0 HD3 ARG A 15 11.413 -6.101 7.539 1.00 73.11 H new ATOM 0 HE ARG A 15 9.836 -6.186 9.973 1.00 53.43 H new ATOM 0 HH11 ARG A 15 12.529 -4.564 8.367 1.00 21.13 H new ATOM 0 HH12 ARG A 15 13.317 -4.119 9.885 1.00 21.13 H new ATOM 0 HH21 ARG A 15 10.854 -5.612 11.917 1.00 13.33 H new ATOM 0 HH22 ARG A 15 12.373 -4.710 11.886 1.00 13.33 H new ATOM 266 N CYS A 16 10.317 -4.470 2.715 1.00 74.34 N ATOM 267 CA CYS A 16 10.061 -5.065 1.408 1.00 74.52 C ATOM 268 C CYS A 16 11.363 -5.496 0.742 1.00 44.12 C ATOM 269 O CYS A 16 11.371 -6.377 -0.118 1.00 42.31 O ATOM 270 CB CYS A 16 9.318 -4.075 0.510 1.00 74.11 C ATOM 271 SG CYS A 16 7.517 -4.153 0.656 1.00 21.41 S ATOM 0 H CYS A 16 10.065 -3.484 2.786 1.00 74.34 H new ATOM 0 HA CYS A 16 9.439 -5.948 1.554 1.00 74.52 H new ATOM 0 HB2 CYS A 16 9.648 -3.064 0.751 1.00 74.11 H new ATOM 0 HB3 CYS A 16 9.596 -4.262 -0.527 1.00 74.11 H new ATOM 0 HG CYS A 16 6.978 -3.945 -0.508 1.00 21.41 H new ATOM 277 N SER A 17 12.463 -4.867 1.144 1.00 64.31 N ATOM 278 CA SER A 17 13.772 -5.181 0.582 1.00 31.31 C ATOM 279 C SER A 17 14.087 -6.666 0.736 1.00 71.12 C ATOM 280 O SER A 17 14.865 -7.229 -0.033 1.00 32.41 O ATOM 281 CB SER A 17 14.857 -4.345 1.263 1.00 12.04 C ATOM 282 OG SER A 17 14.744 -2.977 0.910 1.00 70.44 O ATOM 0 H SER A 17 12.474 -4.137 1.856 1.00 64.31 H new ATOM 0 HA SER A 17 13.751 -4.940 -0.481 1.00 31.31 H new ATOM 0 HB2 SER A 17 14.778 -4.452 2.345 1.00 12.04 H new ATOM 0 HB3 SER A 17 15.841 -4.718 0.977 1.00 12.04 H new ATOM 0 HG SER A 17 13.847 -2.654 1.136 1.00 70.44 H new ATOM 288 N ASN A 18 13.476 -7.294 1.735 1.00 1.25 N ATOM 289 CA ASN A 18 13.691 -8.713 1.992 1.00 61.43 C ATOM 290 C ASN A 18 12.602 -9.556 1.334 1.00 2.22 C ATOM 291 O ASN A 18 12.200 -10.592 1.863 1.00 70.42 O ATOM 292 CB ASN A 18 13.720 -8.982 3.498 1.00 62.44 C ATOM 293 CG ASN A 18 14.845 -8.242 4.196 1.00 54.14 C ATOM 294 OD1 ASN A 18 15.924 -8.057 3.633 1.00 0.12 O ATOM 295 ND2 ASN A 18 14.596 -7.814 5.428 1.00 73.31 N ATOM 0 H ASN A 18 12.828 -6.842 2.380 1.00 1.25 H new ATOM 0 HA ASN A 18 14.653 -8.993 1.562 1.00 61.43 H new ATOM 0 HB2 ASN A 18 12.767 -8.685 3.936 1.00 62.44 H new ATOM 0 HB3 ASN A 18 13.831 -10.052 3.671 1.00 62.44 H new ATOM 0 HD21 ASN A 18 15.314 -7.309 5.947 1.00 73.31 H new ATOM 0 HD22 ASN A 18 13.687 -7.990 5.855 1.00 73.31 H new ATOM 302 N VAL A 19 12.129 -9.103 0.177 1.00 23.52 N ATOM 303 CA VAL A 19 11.088 -9.816 -0.554 1.00 43.21 C ATOM 304 C VAL A 19 11.633 -10.406 -1.850 1.00 31.11 C ATOM 305 O VAL A 19 12.444 -9.783 -2.535 1.00 34.50 O ATOM 306 CB VAL A 19 9.901 -8.892 -0.883 1.00 52.40 C ATOM 307 CG1 VAL A 19 8.855 -9.636 -1.700 1.00 2.44 C ATOM 308 CG2 VAL A 19 9.293 -8.331 0.394 1.00 74.52 C ATOM 0 H VAL A 19 12.450 -8.246 -0.274 1.00 23.52 H new ATOM 0 HA VAL A 19 10.743 -10.623 0.092 1.00 43.21 H new ATOM 0 HB VAL A 19 10.267 -8.057 -1.481 1.00 52.40 H new ATOM 0 HG11 VAL A 19 8.024 -8.967 -1.923 1.00 2.44 H new ATOM 0 HG12 VAL A 19 9.301 -9.984 -2.632 1.00 2.44 H new ATOM 0 HG13 VAL A 19 8.490 -10.491 -1.131 1.00 2.44 H new ATOM 0 HG21 VAL A 19 8.455 -7.680 0.143 1.00 74.52 H new ATOM 0 HG22 VAL A 19 8.940 -9.151 1.020 1.00 74.52 H new ATOM 0 HG23 VAL A 19 10.047 -7.760 0.935 1.00 74.52 H new ATOM 318 N ALA A 20 11.181 -11.611 -2.180 1.00 61.54 N ATOM 319 CA ALA A 20 11.621 -12.285 -3.396 1.00 30.43 C ATOM 320 C ALA A 20 10.509 -12.318 -4.438 1.00 72.25 C ATOM 321 O ALA A 20 9.383 -11.898 -4.173 1.00 55.11 O ATOM 322 CB ALA A 20 12.089 -13.697 -3.076 1.00 63.42 C ATOM 0 H ALA A 20 10.511 -12.141 -1.623 1.00 61.54 H new ATOM 0 HA ALA A 20 12.457 -11.722 -3.812 1.00 30.43 H new ATOM 0 HB1 ALA A 20 12.415 -14.189 -3.993 1.00 63.42 H new ATOM 0 HB2 ALA A 20 12.920 -13.654 -2.372 1.00 63.42 H new ATOM 0 HB3 ALA A 20 11.268 -14.261 -2.634 1.00 63.42 H new ATOM 328 N VAL A 21 10.832 -12.820 -5.626 1.00 42.33 N ATOM 329 CA VAL A 21 9.860 -12.908 -6.709 1.00 40.44 C ATOM 330 C VAL A 21 9.223 -14.292 -6.765 1.00 45.35 C ATOM 331 O VAL A 21 8.029 -14.427 -7.025 1.00 15.11 O ATOM 332 CB VAL A 21 10.508 -12.597 -8.072 1.00 0.02 C ATOM 333 CG1 VAL A 21 9.466 -12.634 -9.180 1.00 23.15 C ATOM 334 CG2 VAL A 21 11.209 -11.247 -8.033 1.00 32.44 C ATOM 0 H VAL A 21 11.760 -13.172 -5.863 1.00 42.33 H new ATOM 0 HA VAL A 21 9.089 -12.165 -6.504 1.00 40.44 H new ATOM 0 HB VAL A 21 11.255 -13.363 -8.283 1.00 0.02 H new ATOM 0 HG11 VAL A 21 9.942 -12.412 -10.135 1.00 23.15 H new ATOM 0 HG12 VAL A 21 9.014 -13.625 -9.222 1.00 23.15 H new ATOM 0 HG13 VAL A 21 8.694 -11.891 -8.978 1.00 23.15 H new ATOM 0 HG21 VAL A 21 11.661 -11.044 -9.004 1.00 32.44 H new ATOM 0 HG22 VAL A 21 10.484 -10.467 -7.800 1.00 32.44 H new ATOM 0 HG23 VAL A 21 11.985 -11.262 -7.268 1.00 32.44 H new ATOM 344 N GLY A 22 10.031 -15.319 -6.520 1.00 20.13 N ATOM 345 CA GLY A 22 9.529 -16.680 -6.547 1.00 32.44 C ATOM 346 C GLY A 22 9.225 -17.214 -5.161 1.00 14.33 C ATOM 347 O GLY A 22 9.256 -16.470 -4.180 1.00 44.44 O ATOM 0 H GLY A 22 11.024 -15.233 -6.303 1.00 20.13 H new ATOM 0 HA2 GLY A 22 8.625 -16.718 -7.154 1.00 32.44 H new ATOM 0 HA3 GLY A 22 10.264 -17.325 -7.029 1.00 32.44 H new ATOM 351 N VAL A 23 8.927 -18.507 -5.078 1.00 1.41 N ATOM 352 CA VAL A 23 8.615 -19.139 -3.802 1.00 20.12 C ATOM 353 C VAL A 23 9.814 -19.913 -3.264 1.00 53.52 C ATOM 354 O VAL A 23 10.084 -19.903 -2.064 1.00 63.31 O ATOM 355 CB VAL A 23 7.415 -20.096 -3.928 1.00 61.45 C ATOM 356 CG1 VAL A 23 7.027 -20.649 -2.566 1.00 33.23 C ATOM 357 CG2 VAL A 23 6.237 -19.390 -4.582 1.00 10.22 C ATOM 0 H VAL A 23 8.895 -19.137 -5.880 1.00 1.41 H new ATOM 0 HA VAL A 23 8.361 -18.339 -3.107 1.00 20.12 H new ATOM 0 HB VAL A 23 7.705 -20.933 -4.563 1.00 61.45 H new ATOM 0 HG11 VAL A 23 6.177 -21.323 -2.676 1.00 33.23 H new ATOM 0 HG12 VAL A 23 7.870 -21.194 -2.141 1.00 33.23 H new ATOM 0 HG13 VAL A 23 6.755 -19.827 -1.904 1.00 33.23 H new ATOM 0 HG21 VAL A 23 5.398 -20.081 -4.663 1.00 10.22 H new ATOM 0 HG22 VAL A 23 5.944 -18.533 -3.975 1.00 10.22 H new ATOM 0 HG23 VAL A 23 6.524 -19.049 -5.577 1.00 10.22 H new ATOM 436 N LYS A 29 14.723 -11.265 -6.967 1.00 43.32 N ATOM 437 CA LYS A 29 13.973 -10.615 -5.899 1.00 54.14 C ATOM 438 C LYS A 29 13.438 -9.261 -6.356 1.00 24.00 C ATOM 439 O LYS A 29 13.647 -8.854 -7.499 1.00 0.51 O ATOM 440 CB LYS A 29 14.856 -10.436 -4.663 1.00 2.31 C ATOM 441 CG LYS A 29 16.133 -9.659 -4.935 1.00 14.42 C ATOM 442 CD LYS A 29 17.305 -10.218 -4.146 1.00 72.24 C ATOM 443 CE LYS A 29 18.595 -9.477 -4.464 1.00 34.03 C ATOM 444 NZ LYS A 29 18.708 -8.206 -3.695 1.00 74.44 N ATOM 0 HA LYS A 29 13.127 -11.253 -5.643 1.00 54.14 H new ATOM 0 HB2 LYS A 29 14.285 -9.921 -3.890 1.00 2.31 H new ATOM 0 HB3 LYS A 29 15.115 -11.418 -4.267 1.00 2.31 H new ATOM 0 HG2 LYS A 29 16.361 -9.694 -6.000 1.00 14.42 H new ATOM 0 HG3 LYS A 29 15.985 -8.611 -4.675 1.00 14.42 H new ATOM 0 HD2 LYS A 29 17.095 -10.144 -3.079 1.00 72.24 H new ATOM 0 HD3 LYS A 29 17.427 -11.277 -4.374 1.00 72.24 H new ATOM 0 HE2 LYS A 29 19.447 -10.117 -4.235 1.00 34.03 H new ATOM 0 HE3 LYS A 29 18.636 -9.261 -5.532 1.00 34.03 H new ATOM 0 HZ1 LYS A 29 19.600 -7.731 -3.939 1.00 74.44 H new ATOM 0 HZ2 LYS A 29 17.908 -7.585 -3.932 1.00 74.44 H new ATOM 0 HZ3 LYS A 29 18.695 -8.414 -2.676 1.00 74.44 H new ATOM 458 N PHE A 30 12.750 -8.568 -5.456 1.00 13.55 N ATOM 459 CA PHE A 30 12.186 -7.259 -5.766 1.00 42.11 C ATOM 460 C PHE A 30 12.976 -6.149 -5.078 1.00 20.40 C ATOM 461 O PHE A 30 13.817 -6.412 -4.220 1.00 3.14 O ATOM 462 CB PHE A 30 10.719 -7.197 -5.337 1.00 72.22 C ATOM 463 CG PHE A 30 9.773 -7.772 -6.352 1.00 72.33 C ATOM 464 CD1 PHE A 30 9.416 -7.045 -7.476 1.00 54.12 C ATOM 465 CD2 PHE A 30 9.240 -9.040 -6.182 1.00 64.23 C ATOM 466 CE1 PHE A 30 8.546 -7.571 -8.412 1.00 73.35 C ATOM 467 CE2 PHE A 30 8.370 -9.572 -7.115 1.00 44.13 C ATOM 468 CZ PHE A 30 8.022 -8.836 -8.231 1.00 74.11 C ATOM 0 H PHE A 30 12.569 -8.891 -4.505 1.00 13.55 H new ATOM 0 HA PHE A 30 12.249 -7.111 -6.844 1.00 42.11 H new ATOM 0 HB2 PHE A 30 10.601 -7.735 -4.396 1.00 72.22 H new ATOM 0 HB3 PHE A 30 10.448 -6.159 -5.147 1.00 72.22 H new ATOM 0 HD1 PHE A 30 9.823 -6.055 -7.622 1.00 54.12 H new ATOM 0 HD2 PHE A 30 9.508 -9.619 -5.310 1.00 64.23 H new ATOM 0 HE1 PHE A 30 8.276 -6.994 -9.284 1.00 73.35 H new ATOM 0 HE2 PHE A 30 7.963 -10.562 -6.972 1.00 44.13 H new ATOM 0 HZ PHE A 30 7.341 -9.249 -8.961 1.00 74.11 H new ATOM 478 N GLY A 31 12.698 -4.907 -5.463 1.00 23.24 N ATOM 479 CA GLY A 31 13.391 -3.776 -4.874 1.00 20.01 C ATOM 480 C GLY A 31 12.670 -2.465 -5.116 1.00 42.32 C ATOM 481 O GLY A 31 11.654 -2.427 -5.810 1.00 25.04 O ATOM 0 H GLY A 31 12.006 -4.664 -6.172 1.00 23.24 H new ATOM 0 HA2 GLY A 31 13.496 -3.937 -3.801 1.00 20.01 H new ATOM 0 HA3 GLY A 31 14.398 -3.715 -5.287 1.00 20.01 H new ATOM 485 N GLU A 32 13.196 -1.387 -4.542 1.00 30.22 N ATOM 486 CA GLU A 32 12.593 -0.069 -4.698 1.00 4.53 C ATOM 487 C GLU A 32 12.422 0.281 -6.173 1.00 64.43 C ATOM 488 O GLU A 32 11.535 1.048 -6.542 1.00 53.30 O ATOM 489 CB GLU A 32 13.451 0.994 -4.007 1.00 65.41 C ATOM 490 CG GLU A 32 12.812 2.372 -3.984 1.00 20.34 C ATOM 491 CD GLU A 32 13.777 3.469 -4.388 1.00 53.43 C ATOM 492 OE1 GLU A 32 14.469 4.008 -3.500 1.00 44.53 O ATOM 493 OE2 GLU A 32 13.839 3.789 -5.594 1.00 53.01 O ATOM 0 H GLU A 32 14.037 -1.401 -3.966 1.00 30.22 H new ATOM 0 HA GLU A 32 11.608 -0.091 -4.231 1.00 4.53 H new ATOM 0 HB2 GLU A 32 13.651 0.678 -2.983 1.00 65.41 H new ATOM 0 HB3 GLU A 32 14.414 1.058 -4.514 1.00 65.41 H new ATOM 0 HG2 GLU A 32 11.954 2.382 -4.657 1.00 20.34 H new ATOM 0 HG3 GLU A 32 12.434 2.576 -2.982 1.00 20.34 H new ATOM 500 N GLY A 33 13.281 -0.289 -7.014 1.00 32.52 N ATOM 501 CA GLY A 33 13.209 -0.026 -8.439 1.00 61.41 C ATOM 502 C GLY A 33 11.939 -0.568 -9.065 1.00 41.54 C ATOM 503 O GLY A 33 11.187 0.173 -9.697 1.00 72.33 O ATOM 0 H GLY A 33 14.025 -0.928 -6.733 1.00 32.52 H new ATOM 0 HA2 GLY A 33 13.265 1.049 -8.610 1.00 61.41 H new ATOM 0 HA3 GLY A 33 14.073 -0.472 -8.932 1.00 61.41 H new ATOM 507 N ASN A 34 11.701 -1.863 -8.891 1.00 71.41 N ATOM 508 CA ASN A 34 10.514 -2.504 -9.446 1.00 50.33 C ATOM 509 C ASN A 34 9.244 -1.924 -8.830 1.00 45.54 C ATOM 510 O ASN A 34 8.180 -1.935 -9.449 1.00 41.01 O ATOM 511 CB ASN A 34 10.565 -4.014 -9.208 1.00 64.32 C ATOM 512 CG ASN A 34 11.359 -4.741 -10.277 1.00 21.24 C ATOM 513 OD1 ASN A 34 12.323 -5.446 -9.978 1.00 5.43 O ATOM 514 ND2 ASN A 34 10.956 -4.573 -11.531 1.00 12.45 N ATOM 0 H ASN A 34 12.314 -2.490 -8.370 1.00 71.41 H new ATOM 0 HA ASN A 34 10.497 -2.312 -10.519 1.00 50.33 H new ATOM 0 HB2 ASN A 34 11.009 -4.211 -8.232 1.00 64.32 H new ATOM 0 HB3 ASN A 34 9.550 -4.409 -9.181 1.00 64.32 H new ATOM 0 HD21 ASN A 34 11.451 -5.038 -12.292 1.00 12.45 H new ATOM 0 HD22 ASN A 34 10.152 -3.979 -11.733 1.00 12.45 H new ATOM 521 N PHE A 35 9.365 -1.416 -7.608 1.00 72.11 N ATOM 522 CA PHE A 35 8.227 -0.831 -6.908 1.00 23.44 C ATOM 523 C PHE A 35 7.736 0.425 -7.621 1.00 63.34 C ATOM 524 O PHE A 35 6.568 0.521 -7.998 1.00 10.14 O ATOM 525 CB PHE A 35 8.608 -0.495 -5.464 1.00 70.52 C ATOM 526 CG PHE A 35 8.442 -1.649 -4.517 1.00 25.13 C ATOM 527 CD1 PHE A 35 8.933 -2.904 -4.840 1.00 33.02 C ATOM 528 CD2 PHE A 35 7.796 -1.479 -3.303 1.00 1.50 C ATOM 529 CE1 PHE A 35 8.782 -3.968 -3.970 1.00 4.30 C ATOM 530 CE2 PHE A 35 7.643 -2.538 -2.429 1.00 63.30 C ATOM 531 CZ PHE A 35 8.136 -3.785 -2.763 1.00 51.44 C ATOM 0 H PHE A 35 10.239 -1.398 -7.082 1.00 72.11 H new ATOM 0 HA PHE A 35 7.420 -1.563 -6.903 1.00 23.44 H new ATOM 0 HB2 PHE A 35 9.645 -0.161 -5.439 1.00 70.52 H new ATOM 0 HB3 PHE A 35 7.996 0.338 -5.120 1.00 70.52 H new ATOM 0 HD1 PHE A 35 9.439 -3.053 -5.782 1.00 33.02 H new ATOM 0 HD2 PHE A 35 7.407 -0.507 -3.037 1.00 1.50 H new ATOM 0 HE1 PHE A 35 9.169 -4.941 -4.234 1.00 4.30 H new ATOM 0 HE2 PHE A 35 7.138 -2.391 -1.485 1.00 63.30 H new ATOM 0 HZ PHE A 35 8.016 -4.615 -2.082 1.00 51.44 H new ATOM 541 N ARG A 36 8.637 1.385 -7.804 1.00 31.23 N ATOM 542 CA ARG A 36 8.296 2.636 -8.470 1.00 71.33 C ATOM 543 C ARG A 36 7.829 2.380 -9.900 1.00 42.04 C ATOM 544 O ARG A 36 6.939 3.064 -10.405 1.00 13.23 O ATOM 545 CB ARG A 36 9.500 3.580 -8.476 1.00 74.24 C ATOM 546 CG ARG A 36 10.743 2.977 -9.110 1.00 52.43 C ATOM 547 CD ARG A 36 11.872 3.992 -9.196 1.00 1.23 C ATOM 548 NE ARG A 36 13.094 3.407 -9.740 1.00 61.35 N ATOM 549 CZ ARG A 36 13.243 3.071 -11.017 1.00 54.32 C ATOM 550 NH1 ARG A 36 12.251 3.263 -11.876 1.00 52.00 N ATOM 551 NH2 ARG A 36 14.385 2.543 -11.437 1.00 42.52 N ATOM 0 H ARG A 36 9.609 1.320 -7.500 1.00 31.23 H new ATOM 0 HA ARG A 36 7.480 3.103 -7.918 1.00 71.33 H new ATOM 0 HB2 ARG A 36 9.234 4.491 -9.012 1.00 74.24 H new ATOM 0 HB3 ARG A 36 9.729 3.869 -7.450 1.00 74.24 H new ATOM 0 HG2 ARG A 36 11.070 2.116 -8.526 1.00 52.43 H new ATOM 0 HG3 ARG A 36 10.503 2.612 -10.109 1.00 52.43 H new ATOM 0 HD2 ARG A 36 11.561 4.828 -9.822 1.00 1.23 H new ATOM 0 HD3 ARG A 36 12.074 4.395 -8.203 1.00 1.23 H new ATOM 0 HE ARG A 36 13.876 3.247 -9.105 1.00 61.35 H new ATOM 0 HH11 ARG A 36 11.372 3.669 -11.557 1.00 52.00 H new ATOM 0 HH12 ARG A 36 12.368 3.004 -12.856 1.00 52.00 H new ATOM 0 HH21 ARG A 36 15.150 2.394 -10.779 1.00 42.52 H new ATOM 0 HH22 ARG A 36 14.498 2.286 -12.418 1.00 42.52 H new ATOM 565 N TRP A 37 8.437 1.392 -10.547 1.00 54.13 N ATOM 566 CA TRP A 37 8.084 1.047 -11.920 1.00 35.43 C ATOM 567 C TRP A 37 6.622 0.624 -12.016 1.00 31.53 C ATOM 568 O TRP A 37 5.908 1.028 -12.933 1.00 1.42 O ATOM 569 CB TRP A 37 8.987 -0.076 -12.433 1.00 51.34 C ATOM 570 CG TRP A 37 8.562 -0.618 -13.764 1.00 74.51 C ATOM 571 CD1 TRP A 37 9.018 -0.230 -14.991 1.00 73.14 C ATOM 572 CD2 TRP A 37 7.594 -1.647 -14.000 1.00 51.15 C ATOM 573 NE1 TRP A 37 8.392 -0.955 -15.977 1.00 32.24 N ATOM 574 CE2 TRP A 37 7.514 -1.832 -15.395 1.00 5.43 C ATOM 575 CE3 TRP A 37 6.789 -2.431 -13.170 1.00 75.04 C ATOM 576 CZ2 TRP A 37 6.661 -2.767 -15.974 1.00 11.30 C ATOM 577 CZ3 TRP A 37 5.942 -3.358 -13.747 1.00 33.52 C ATOM 578 CH2 TRP A 37 5.884 -3.521 -15.137 1.00 54.34 C ATOM 0 H TRP A 37 9.176 0.816 -10.144 1.00 54.13 H new ATOM 0 HA TRP A 37 8.228 1.932 -12.540 1.00 35.43 H new ATOM 0 HB2 TRP A 37 10.009 0.295 -12.509 1.00 51.34 H new ATOM 0 HB3 TRP A 37 8.996 -0.887 -11.705 1.00 51.34 H new ATOM 0 HD1 TRP A 37 9.762 0.534 -15.162 1.00 73.14 H new ATOM 0 HE1 TRP A 37 8.555 -0.856 -16.979 1.00 32.24 H new ATOM 0 HE3 TRP A 37 6.828 -2.315 -12.097 1.00 75.04 H new ATOM 0 HZ2 TRP A 37 6.614 -2.893 -17.046 1.00 11.30 H new ATOM 0 HZ3 TRP A 37 5.313 -3.968 -13.115 1.00 33.52 H new ATOM 0 HH2 TRP A 37 5.213 -4.256 -15.556 1.00 54.34 H new ATOM 589 N ALA A 38 6.183 -0.193 -11.063 1.00 53.33 N ATOM 590 CA ALA A 38 4.805 -0.668 -11.040 1.00 61.31 C ATOM 591 C ALA A 38 3.862 0.405 -10.507 1.00 45.54 C ATOM 592 O ALA A 38 2.852 0.725 -11.135 1.00 65.22 O ATOM 593 CB ALA A 38 4.697 -1.932 -10.200 1.00 21.21 C ATOM 0 H ALA A 38 6.762 -0.539 -10.298 1.00 53.33 H new ATOM 0 HA ALA A 38 4.509 -0.898 -12.064 1.00 61.31 H new ATOM 0 HB1 ALA A 38 3.663 -2.276 -10.191 1.00 21.21 H new ATOM 0 HB2 ALA A 38 5.334 -2.707 -10.626 1.00 21.21 H new ATOM 0 HB3 ALA A 38 5.017 -1.719 -9.180 1.00 21.21 H new ATOM 599 N ILE A 39 4.199 0.958 -9.347 1.00 14.22 N ATOM 600 CA ILE A 39 3.382 1.996 -8.731 1.00 13.33 C ATOM 601 C ILE A 39 3.088 3.122 -9.716 1.00 52.05 C ATOM 602 O ILE A 39 1.945 3.560 -9.851 1.00 43.42 O ATOM 603 CB ILE A 39 4.067 2.587 -7.484 1.00 63.43 C ATOM 604 CG1 ILE A 39 4.318 1.491 -6.446 1.00 63.34 C ATOM 605 CG2 ILE A 39 3.219 3.701 -6.891 1.00 12.30 C ATOM 606 CD1 ILE A 39 5.489 1.780 -5.533 1.00 40.12 C ATOM 0 H ILE A 39 5.032 0.705 -8.815 1.00 14.22 H new ATOM 0 HA ILE A 39 2.446 1.524 -8.432 1.00 13.33 H new ATOM 0 HB ILE A 39 5.028 3.008 -7.781 1.00 63.43 H new ATOM 0 HG12 ILE A 39 3.420 1.362 -5.842 1.00 63.34 H new ATOM 0 HG13 ILE A 39 4.494 0.547 -6.962 1.00 63.34 H new ATOM 0 HG21 ILE A 39 3.717 4.108 -6.011 1.00 12.30 H new ATOM 0 HG22 ILE A 39 3.087 4.491 -7.631 1.00 12.30 H new ATOM 0 HG23 ILE A 39 2.245 3.304 -6.606 1.00 12.30 H new ATOM 0 HD11 ILE A 39 5.608 0.961 -4.823 1.00 40.12 H new ATOM 0 HD12 ILE A 39 6.397 1.880 -6.127 1.00 40.12 H new ATOM 0 HD13 ILE A 39 5.307 2.707 -4.990 1.00 40.12 H new ATOM 618 N ARG A 40 4.126 3.584 -10.405 1.00 4.41 N ATOM 619 CA ARG A 40 3.980 4.659 -11.379 1.00 73.24 C ATOM 620 C ARG A 40 3.181 4.188 -12.592 1.00 3.14 C ATOM 621 O ARG A 40 2.197 4.816 -12.980 1.00 74.51 O ATOM 622 CB ARG A 40 5.354 5.163 -11.825 1.00 14.22 C ATOM 623 CG ARG A 40 5.289 6.244 -12.892 1.00 22.51 C ATOM 624 CD ARG A 40 6.485 7.180 -12.810 1.00 33.32 C ATOM 625 NE ARG A 40 6.550 8.086 -13.953 1.00 53.10 N ATOM 626 CZ ARG A 40 7.031 7.737 -15.141 1.00 4.51 C ATOM 627 NH1 ARG A 40 7.487 6.509 -15.340 1.00 63.43 N ATOM 628 NH2 ARG A 40 7.057 8.619 -16.132 1.00 61.24 N ATOM 0 H ARG A 40 5.078 3.231 -10.307 1.00 4.41 H new ATOM 0 HA ARG A 40 3.438 5.476 -10.902 1.00 73.24 H new ATOM 0 HB2 ARG A 40 5.888 5.552 -10.958 1.00 14.22 H new ATOM 0 HB3 ARG A 40 5.934 4.322 -12.206 1.00 14.22 H new ATOM 0 HG2 ARG A 40 5.254 5.782 -13.878 1.00 22.51 H new ATOM 0 HG3 ARG A 40 4.369 6.817 -12.776 1.00 22.51 H new ATOM 0 HD2 ARG A 40 6.428 7.761 -11.890 1.00 33.32 H new ATOM 0 HD3 ARG A 40 7.402 6.593 -12.760 1.00 33.32 H new ATOM 0 HE ARG A 40 6.207 9.039 -13.833 1.00 53.10 H new ATOM 0 HH11 ARG A 40 7.469 5.829 -14.580 1.00 63.43 H new ATOM 0 HH12 ARG A 40 7.856 6.244 -16.253 1.00 63.43 H new ATOM 0 HH21 ARG A 40 6.708 9.565 -15.982 1.00 61.24 H new ATOM 0 HH22 ARG A 40 7.426 8.351 -17.044 1.00 61.24 H new ATOM 642 N MET A 41 3.614 3.080 -13.184 1.00 53.15 N ATOM 643 CA MET A 41 2.939 2.525 -14.352 1.00 53.30 C ATOM 644 C MET A 41 1.450 2.335 -14.080 1.00 31.12 C ATOM 645 O MET A 41 0.629 2.397 -14.995 1.00 23.32 O ATOM 646 CB MET A 41 3.572 1.190 -14.747 1.00 33.40 C ATOM 647 CG MET A 41 2.893 0.523 -15.932 1.00 63.44 C ATOM 648 SD MET A 41 3.579 -1.104 -16.300 1.00 50.02 S ATOM 649 CE MET A 41 2.761 -2.105 -15.060 1.00 41.51 C ATOM 0 H MET A 41 4.428 2.549 -12.875 1.00 53.15 H new ATOM 0 HA MET A 41 3.053 3.230 -15.176 1.00 53.30 H new ATOM 0 HB2 MET A 41 4.623 1.352 -14.985 1.00 33.40 H new ATOM 0 HB3 MET A 41 3.539 0.514 -13.892 1.00 33.40 H new ATOM 0 HG2 MET A 41 1.827 0.426 -15.727 1.00 63.44 H new ATOM 0 HG3 MET A 41 2.992 1.162 -16.810 1.00 63.44 H new ATOM 0 HE1 MET A 41 2.971 -3.158 -15.246 1.00 41.51 H new ATOM 0 HE2 MET A 41 3.128 -1.831 -14.071 1.00 41.51 H new ATOM 0 HE3 MET A 41 1.685 -1.936 -15.107 1.00 41.51 H new ATOM 659 N ALA A 42 1.109 2.103 -12.816 1.00 72.14 N ATOM 660 CA ALA A 42 -0.281 1.905 -12.424 1.00 51.34 C ATOM 661 C ALA A 42 -1.048 3.223 -12.436 1.00 44.55 C ATOM 662 O ALA A 42 -2.095 3.337 -13.072 1.00 1.33 O ATOM 663 CB ALA A 42 -0.355 1.262 -11.047 1.00 42.34 C ATOM 0 H ALA A 42 1.776 2.048 -12.047 1.00 72.14 H new ATOM 0 HA ALA A 42 -0.745 1.238 -13.150 1.00 51.34 H new ATOM 0 HB1 ALA A 42 -1.399 1.120 -10.767 1.00 42.34 H new ATOM 0 HB2 ALA A 42 0.149 0.296 -11.069 1.00 42.34 H new ATOM 0 HB3 ALA A 42 0.132 1.909 -10.317 1.00 42.34 H new ATOM 669 N ASN A 43 -0.519 4.217 -11.729 1.00 64.24 N ATOM 670 CA ASN A 43 -1.154 5.527 -11.658 1.00 55.41 C ATOM 671 C ASN A 43 -1.393 6.093 -13.055 1.00 1.01 C ATOM 672 O ASN A 43 -2.310 6.886 -13.267 1.00 75.22 O ATOM 673 CB ASN A 43 -0.290 6.493 -10.845 1.00 40.23 C ATOM 674 CG ASN A 43 -0.651 6.492 -9.372 1.00 45.02 C ATOM 675 OD1 ASN A 43 -1.627 5.866 -8.961 1.00 75.44 O ATOM 676 ND2 ASN A 43 0.139 7.196 -8.569 1.00 41.15 N ATOM 0 H ASN A 43 0.348 4.139 -11.197 1.00 64.24 H new ATOM 0 HA ASN A 43 -2.118 5.409 -11.164 1.00 55.41 H new ATOM 0 HB2 ASN A 43 0.759 6.222 -10.959 1.00 40.23 H new ATOM 0 HB3 ASN A 43 -0.404 7.501 -11.243 1.00 40.23 H new ATOM 0 HD21 ASN A 43 -0.053 7.232 -7.568 1.00 41.15 H new ATOM 0 HD22 ASN A 43 0.938 7.700 -8.953 1.00 41.15 H new ATOM 683 N VAL A 44 -0.560 5.679 -14.005 1.00 53.30 N ATOM 684 CA VAL A 44 -0.681 6.143 -15.382 1.00 61.11 C ATOM 685 C VAL A 44 -1.604 5.236 -16.188 1.00 51.22 C ATOM 686 O VAL A 44 -2.599 5.690 -16.753 1.00 40.52 O ATOM 687 CB VAL A 44 0.693 6.205 -16.076 1.00 11.44 C ATOM 688 CG1 VAL A 44 0.547 6.705 -17.505 1.00 64.51 C ATOM 689 CG2 VAL A 44 1.647 7.090 -15.288 1.00 1.22 C ATOM 0 H VAL A 44 0.205 5.024 -13.846 1.00 53.30 H new ATOM 0 HA VAL A 44 -1.106 7.146 -15.342 1.00 61.11 H new ATOM 0 HB VAL A 44 1.110 5.199 -16.109 1.00 11.44 H new ATOM 0 HG11 VAL A 44 1.528 6.742 -17.979 1.00 64.51 H new ATOM 0 HG12 VAL A 44 -0.101 6.028 -18.063 1.00 64.51 H new ATOM 0 HG13 VAL A 44 0.109 7.703 -17.498 1.00 64.51 H new ATOM 0 HG21 VAL A 44 2.613 7.123 -15.792 1.00 1.22 H new ATOM 0 HG22 VAL A 44 1.238 8.098 -15.222 1.00 1.22 H new ATOM 0 HG23 VAL A 44 1.775 6.684 -14.285 1.00 1.22 H new ATOM 699 N SER A 45 -1.268 3.951 -16.237 1.00 1.22 N ATOM 700 CA SER A 45 -2.065 2.980 -16.977 1.00 20.12 C ATOM 701 C SER A 45 -3.530 3.046 -16.556 1.00 50.22 C ATOM 702 O SER A 45 -4.432 2.978 -17.391 1.00 75.34 O ATOM 703 CB SER A 45 -1.522 1.567 -16.754 1.00 10.11 C ATOM 704 OG SER A 45 -0.306 1.372 -17.455 1.00 21.43 O ATOM 0 H SER A 45 -0.449 3.558 -15.773 1.00 1.22 H new ATOM 0 HA SER A 45 -1.998 3.224 -18.037 1.00 20.12 H new ATOM 0 HB2 SER A 45 -1.362 1.399 -15.689 1.00 10.11 H new ATOM 0 HB3 SER A 45 -2.258 0.835 -17.085 1.00 10.11 H new ATOM 0 HG SER A 45 0.446 1.645 -16.888 1.00 21.43 H new ATOM 710 N THR A 46 -3.760 3.180 -15.254 1.00 22.15 N ATOM 711 CA THR A 46 -5.114 3.254 -14.720 1.00 0.30 C ATOM 712 C THR A 46 -5.688 4.659 -14.870 1.00 63.42 C ATOM 713 O THR A 46 -6.904 4.844 -14.889 1.00 43.13 O ATOM 714 CB THR A 46 -5.155 2.851 -13.234 1.00 11.52 C ATOM 715 OG1 THR A 46 -4.556 3.875 -12.432 1.00 0.41 O ATOM 716 CG2 THR A 46 -4.428 1.534 -13.010 1.00 1.32 C ATOM 0 H THR A 46 -3.025 3.240 -14.549 1.00 22.15 H new ATOM 0 HA THR A 46 -5.719 2.554 -15.295 1.00 0.30 H new ATOM 0 HB THR A 46 -6.198 2.726 -12.943 1.00 11.52 H new ATOM 0 HG1 THR A 46 -3.593 3.708 -12.354 1.00 0.41 H new ATOM 0 HG21 THR A 46 -4.470 1.270 -11.953 1.00 1.32 H new ATOM 0 HG22 THR A 46 -4.905 0.750 -13.599 1.00 1.32 H new ATOM 0 HG23 THR A 46 -3.387 1.636 -13.317 1.00 1.32 H new ATOM 851 N THR A 56 -3.303 5.778 1.374 1.00 14.12 N ATOM 852 CA THR A 56 -4.680 5.540 1.789 1.00 71.53 C ATOM 853 C THR A 56 -5.181 4.192 1.283 1.00 60.35 C ATOM 854 O THR A 56 -5.174 3.927 0.080 1.00 44.05 O ATOM 855 CB THR A 56 -5.620 6.648 1.279 1.00 14.13 C ATOM 856 OG1 THR A 56 -5.827 6.506 -0.131 1.00 22.15 O ATOM 857 CG2 THR A 56 -5.045 8.025 1.576 1.00 21.45 C ATOM 0 HA THR A 56 -4.686 5.542 2.879 1.00 71.53 H new ATOM 0 HB THR A 56 -6.574 6.550 1.797 1.00 14.13 H new ATOM 0 HG1 THR A 56 -5.427 5.665 -0.437 1.00 22.15 H new ATOM 0 HG21 THR A 56 -5.726 8.791 1.207 1.00 21.45 H new ATOM 0 HG22 THR A 56 -4.917 8.141 2.652 1.00 21.45 H new ATOM 0 HG23 THR A 56 -4.079 8.130 1.082 1.00 21.45 H new ATOM 865 N LEU A 57 -5.616 3.343 2.207 1.00 73.42 N ATOM 866 CA LEU A 57 -6.122 2.021 1.854 1.00 73.33 C ATOM 867 C LEU A 57 -7.195 2.119 0.774 1.00 71.13 C ATOM 868 O LEU A 57 -7.359 1.207 -0.038 1.00 5.45 O ATOM 869 CB LEU A 57 -6.690 1.323 3.091 1.00 54.21 C ATOM 870 CG LEU A 57 -5.839 0.197 3.677 1.00 64.43 C ATOM 871 CD1 LEU A 57 -5.641 -0.911 2.653 1.00 0.31 C ATOM 872 CD2 LEU A 57 -4.496 0.734 4.150 1.00 62.12 C ATOM 0 H LEU A 57 -5.629 3.546 3.206 1.00 73.42 H new ATOM 0 HA LEU A 57 -5.291 1.434 1.463 1.00 73.33 H new ATOM 0 HB2 LEU A 57 -6.848 2.073 3.866 1.00 54.21 H new ATOM 0 HB3 LEU A 57 -7.669 0.917 2.837 1.00 54.21 H new ATOM 0 HG LEU A 57 -6.364 -0.220 4.536 1.00 64.43 H new ATOM 0 HD11 LEU A 57 -5.033 -1.704 3.088 1.00 0.31 H new ATOM 0 HD12 LEU A 57 -6.611 -1.315 2.362 1.00 0.31 H new ATOM 0 HD13 LEU A 57 -5.138 -0.508 1.774 1.00 0.31 H new ATOM 0 HD21 LEU A 57 -3.903 -0.082 4.564 1.00 62.12 H new ATOM 0 HD22 LEU A 57 -3.964 1.177 3.308 1.00 62.12 H new ATOM 0 HD23 LEU A 57 -4.657 1.492 4.917 1.00 62.12 H new ATOM 884 N ASP A 58 -7.922 3.231 0.769 1.00 62.14 N ATOM 885 CA ASP A 58 -8.977 3.450 -0.214 1.00 1.11 C ATOM 886 C ASP A 58 -8.395 3.564 -1.620 1.00 35.43 C ATOM 887 O ASP A 58 -8.762 2.804 -2.516 1.00 14.22 O ATOM 888 CB ASP A 58 -9.767 4.714 0.128 1.00 10.22 C ATOM 889 CG ASP A 58 -10.677 5.152 -1.003 1.00 30.04 C ATOM 890 OD1 ASP A 58 -11.433 4.302 -1.518 1.00 42.22 O ATOM 891 OD2 ASP A 58 -10.633 6.344 -1.373 1.00 1.14 O ATOM 0 H ASP A 58 -7.800 3.995 1.434 1.00 62.14 H new ATOM 0 HA ASP A 58 -9.649 2.592 -0.187 1.00 1.11 H new ATOM 0 HB2 ASP A 58 -10.364 4.535 1.022 1.00 10.22 H new ATOM 0 HB3 ASP A 58 -9.073 5.520 0.365 1.00 10.22 H new ATOM 896 N GLN A 59 -7.488 4.517 -1.804 1.00 52.21 N ATOM 897 CA GLN A 59 -6.858 4.731 -3.101 1.00 61.45 C ATOM 898 C GLN A 59 -6.099 3.486 -3.549 1.00 71.24 C ATOM 899 O GLN A 59 -6.277 3.007 -4.671 1.00 3.45 O ATOM 900 CB GLN A 59 -5.907 5.927 -3.039 1.00 40.25 C ATOM 901 CG GLN A 59 -6.614 7.256 -2.829 1.00 54.22 C ATOM 902 CD GLN A 59 -7.521 7.625 -3.987 1.00 64.44 C ATOM 903 OE1 GLN A 59 -7.186 7.396 -5.150 1.00 23.40 O ATOM 904 NE2 GLN A 59 -8.677 8.199 -3.675 1.00 63.35 N ATOM 0 H GLN A 59 -7.173 5.153 -1.072 1.00 52.21 H new ATOM 0 HA GLN A 59 -7.643 4.938 -3.828 1.00 61.45 H new ATOM 0 HB2 GLN A 59 -5.194 5.772 -2.229 1.00 40.25 H new ATOM 0 HB3 GLN A 59 -5.333 5.973 -3.964 1.00 40.25 H new ATOM 0 HG2 GLN A 59 -7.202 7.209 -1.913 1.00 54.22 H new ATOM 0 HG3 GLN A 59 -5.870 8.041 -2.691 1.00 54.22 H new ATOM 0 HE21 GLN A 59 -8.914 8.370 -2.698 1.00 63.35 H new ATOM 0 HE22 GLN A 59 -9.328 8.469 -4.413 1.00 63.35 H new ATOM 913 N LEU A 60 -5.253 2.966 -2.667 1.00 61.44 N ATOM 914 CA LEU A 60 -4.466 1.776 -2.972 1.00 21.41 C ATOM 915 C LEU A 60 -5.368 0.619 -3.391 1.00 23.12 C ATOM 916 O LEU A 60 -5.092 -0.073 -4.371 1.00 42.31 O ATOM 917 CB LEU A 60 -3.628 1.370 -1.758 1.00 44.23 C ATOM 918 CG LEU A 60 -2.260 0.757 -2.062 1.00 31.12 C ATOM 919 CD1 LEU A 60 -2.418 -0.546 -2.830 1.00 20.11 C ATOM 920 CD2 LEU A 60 -1.397 1.737 -2.843 1.00 14.41 C ATOM 0 H LEU A 60 -5.094 3.349 -1.735 1.00 61.44 H new ATOM 0 HA LEU A 60 -3.801 2.013 -3.802 1.00 21.41 H new ATOM 0 HB2 LEU A 60 -3.479 2.251 -1.134 1.00 44.23 H new ATOM 0 HB3 LEU A 60 -4.202 0.655 -1.168 1.00 44.23 H new ATOM 0 HG LEU A 60 -1.763 0.540 -1.117 1.00 31.12 H new ATOM 0 HD11 LEU A 60 -1.434 -0.968 -3.037 1.00 20.11 H new ATOM 0 HD12 LEU A 60 -2.997 -1.252 -2.234 1.00 20.11 H new ATOM 0 HD13 LEU A 60 -2.936 -0.354 -3.770 1.00 20.11 H new ATOM 0 HD21 LEU A 60 -0.428 1.283 -3.050 1.00 14.41 H new ATOM 0 HD22 LEU A 60 -1.889 1.986 -3.783 1.00 14.41 H new ATOM 0 HD23 LEU A 60 -1.255 2.644 -2.256 1.00 14.41 H new ATOM 932 N ARG A 61 -6.447 0.416 -2.643 1.00 12.14 N ATOM 933 CA ARG A 61 -7.390 -0.656 -2.937 1.00 33.01 C ATOM 934 C ARG A 61 -7.935 -0.526 -4.356 1.00 74.32 C ATOM 935 O ARG A 61 -8.062 -1.517 -5.077 1.00 40.12 O ATOM 936 CB ARG A 61 -8.544 -0.639 -1.932 1.00 71.15 C ATOM 937 CG ARG A 61 -9.651 -1.628 -2.260 1.00 53.51 C ATOM 938 CD ARG A 61 -10.734 -1.625 -1.192 1.00 60.43 C ATOM 939 NE ARG A 61 -11.974 -1.021 -1.671 1.00 72.15 N ATOM 940 CZ ARG A 61 -12.939 -0.587 -0.868 1.00 23.12 C ATOM 941 NH1 ARG A 61 -12.806 -0.690 0.447 1.00 14.35 N ATOM 942 NH2 ARG A 61 -14.038 -0.049 -1.379 1.00 52.44 N ATOM 0 H ARG A 61 -6.690 0.980 -1.829 1.00 12.14 H new ATOM 0 HA ARG A 61 -6.860 -1.605 -2.855 1.00 33.01 H new ATOM 0 HB2 ARG A 61 -8.153 -0.860 -0.939 1.00 71.15 H new ATOM 0 HB3 ARG A 61 -8.966 0.365 -1.892 1.00 71.15 H new ATOM 0 HG2 ARG A 61 -10.090 -1.378 -3.226 1.00 53.51 H new ATOM 0 HG3 ARG A 61 -9.231 -2.630 -2.351 1.00 53.51 H new ATOM 0 HD2 ARG A 61 -10.930 -2.648 -0.871 1.00 60.43 H new ATOM 0 HD3 ARG A 61 -10.379 -1.079 -0.318 1.00 60.43 H new ATOM 0 HE ARG A 61 -12.107 -0.927 -2.678 1.00 72.15 H new ATOM 0 HH11 ARG A 61 -11.962 -1.103 0.843 1.00 14.35 H new ATOM 0 HH12 ARG A 61 -13.548 -0.356 1.062 1.00 14.35 H new ATOM 0 HH21 ARG A 61 -14.143 0.032 -2.390 1.00 52.44 H new ATOM 0 HH22 ARG A 61 -14.778 0.284 -0.761 1.00 52.44 H new ATOM 956 N LEU A 62 -8.257 0.701 -4.751 1.00 20.32 N ATOM 957 CA LEU A 62 -8.789 0.961 -6.084 1.00 72.20 C ATOM 958 C LEU A 62 -7.734 0.694 -7.153 1.00 74.20 C ATOM 959 O LEU A 62 -8.027 0.108 -8.196 1.00 5.41 O ATOM 960 CB LEU A 62 -9.280 2.406 -6.186 1.00 33.14 C ATOM 961 CG LEU A 62 -9.892 2.814 -7.526 1.00 54.10 C ATOM 962 CD1 LEU A 62 -11.194 2.066 -7.768 1.00 53.22 C ATOM 963 CD2 LEU A 62 -10.122 4.318 -7.571 1.00 75.35 C ATOM 0 H LEU A 62 -8.159 1.531 -4.167 1.00 20.32 H new ATOM 0 HA LEU A 62 -9.628 0.286 -6.251 1.00 72.20 H new ATOM 0 HB2 LEU A 62 -10.022 2.572 -5.405 1.00 33.14 H new ATOM 0 HB3 LEU A 62 -8.441 3.069 -5.976 1.00 33.14 H new ATOM 0 HG LEU A 62 -9.193 2.550 -8.319 1.00 54.10 H new ATOM 0 HD11 LEU A 62 -11.615 2.369 -8.727 1.00 53.22 H new ATOM 0 HD12 LEU A 62 -11.001 0.993 -7.780 1.00 53.22 H new ATOM 0 HD13 LEU A 62 -11.901 2.299 -6.971 1.00 53.22 H new ATOM 0 HD21 LEU A 62 -10.558 4.591 -8.532 1.00 75.35 H new ATOM 0 HD22 LEU A 62 -10.802 4.606 -6.769 1.00 75.35 H new ATOM 0 HD23 LEU A 62 -9.171 4.835 -7.444 1.00 75.35 H new ATOM 975 N VAL A 63 -6.506 1.125 -6.886 1.00 2.23 N ATOM 976 CA VAL A 63 -5.406 0.930 -7.823 1.00 31.11 C ATOM 977 C VAL A 63 -5.254 -0.541 -8.193 1.00 31.21 C ATOM 978 O VAL A 63 -5.057 -0.881 -9.360 1.00 3.20 O ATOM 979 CB VAL A 63 -4.075 1.442 -7.241 1.00 31.20 C ATOM 980 CG1 VAL A 63 -2.955 1.295 -8.260 1.00 30.45 C ATOM 981 CG2 VAL A 63 -4.212 2.889 -6.792 1.00 62.20 C ATOM 0 H VAL A 63 -6.247 1.612 -6.028 1.00 2.23 H new ATOM 0 HA VAL A 63 -5.647 1.504 -8.718 1.00 31.11 H new ATOM 0 HB VAL A 63 -3.823 0.837 -6.370 1.00 31.20 H new ATOM 0 HG11 VAL A 63 -2.022 1.662 -7.831 1.00 30.45 H new ATOM 0 HG12 VAL A 63 -2.843 0.244 -8.528 1.00 30.45 H new ATOM 0 HG13 VAL A 63 -3.196 1.873 -9.152 1.00 30.45 H new ATOM 0 HG21 VAL A 63 -3.262 3.235 -6.383 1.00 62.20 H new ATOM 0 HG22 VAL A 63 -4.488 3.510 -7.644 1.00 62.20 H new ATOM 0 HG23 VAL A 63 -4.984 2.961 -6.026 1.00 62.20 H new ATOM 991 N ILE A 64 -5.348 -1.410 -7.192 1.00 43.00 N ATOM 992 CA ILE A 64 -5.222 -2.845 -7.413 1.00 31.33 C ATOM 993 C ILE A 64 -6.359 -3.369 -8.283 1.00 71.14 C ATOM 994 O ILE A 64 -6.125 -3.993 -9.319 1.00 43.44 O ATOM 995 CB ILE A 64 -5.210 -3.621 -6.082 1.00 55.41 C ATOM 996 CG1 ILE A 64 -4.058 -3.141 -5.197 1.00 51.12 C ATOM 997 CG2 ILE A 64 -5.100 -5.116 -6.341 1.00 43.31 C ATOM 998 CD1 ILE A 64 -3.989 -3.845 -3.860 1.00 73.12 C ATOM 0 H ILE A 64 -5.511 -1.145 -6.221 1.00 43.00 H new ATOM 0 HA ILE A 64 -4.273 -3.003 -7.925 1.00 31.33 H new ATOM 0 HB ILE A 64 -6.148 -3.431 -5.559 1.00 55.41 H new ATOM 0 HG12 ILE A 64 -3.117 -3.291 -5.726 1.00 51.12 H new ATOM 0 HG13 ILE A 64 -4.162 -2.069 -5.029 1.00 51.12 H new ATOM 0 HG21 ILE A 64 -5.093 -5.650 -5.391 1.00 43.31 H new ATOM 0 HG22 ILE A 64 -5.951 -5.446 -6.936 1.00 43.31 H new ATOM 0 HG23 ILE A 64 -4.177 -5.325 -6.882 1.00 43.31 H new ATOM 0 HD11 ILE A 64 -3.149 -3.454 -3.286 1.00 73.12 H new ATOM 0 HD12 ILE A 64 -4.915 -3.674 -3.311 1.00 73.12 H new ATOM 0 HD13 ILE A 64 -3.854 -4.915 -4.019 1.00 73.12 H new ATOM 1010 N CYS A 65 -7.590 -3.111 -7.857 1.00 54.43 N ATOM 1011 CA CYS A 65 -8.765 -3.555 -8.599 1.00 32.12 C ATOM 1012 C CYS A 65 -8.718 -3.060 -10.041 1.00 4.14 C ATOM 1013 O CYS A 65 -8.998 -3.811 -10.975 1.00 41.00 O ATOM 1014 CB CYS A 65 -10.042 -3.059 -7.918 1.00 44.42 C ATOM 1015 SG CYS A 65 -11.548 -3.887 -8.479 1.00 64.03 S ATOM 0 H CYS A 65 -7.801 -2.597 -7.002 1.00 54.43 H new ATOM 0 HA CYS A 65 -8.767 -4.645 -8.609 1.00 32.12 H new ATOM 0 HB2 CYS A 65 -9.944 -3.197 -6.841 1.00 44.42 H new ATOM 0 HB3 CYS A 65 -10.142 -1.988 -8.094 1.00 44.42 H new ATOM 0 HG CYS A 65 -12.573 -3.401 -7.844 1.00 64.03 H new ATOM 1021 N ASP A 66 -8.363 -1.792 -10.213 1.00 42.55 N ATOM 1022 CA ASP A 66 -8.279 -1.195 -11.542 1.00 31.24 C ATOM 1023 C ASP A 66 -7.309 -1.972 -12.426 1.00 71.41 C ATOM 1024 O ASP A 66 -7.624 -2.303 -13.570 1.00 71.21 O ATOM 1025 CB ASP A 66 -7.838 0.266 -11.441 1.00 73.11 C ATOM 1026 CG ASP A 66 -9.007 1.211 -11.241 1.00 61.24 C ATOM 1027 OD1 ASP A 66 -9.994 0.805 -10.592 1.00 41.42 O ATOM 1028 OD2 ASP A 66 -8.934 2.356 -11.734 1.00 12.04 O ATOM 0 H ASP A 66 -8.129 -1.157 -9.450 1.00 42.55 H new ATOM 0 HA ASP A 66 -9.269 -1.237 -11.996 1.00 31.24 H new ATOM 0 HB2 ASP A 66 -7.140 0.375 -10.611 1.00 73.11 H new ATOM 0 HB3 ASP A 66 -7.301 0.544 -12.348 1.00 73.11 H new ATOM 1033 N LEU A 67 -6.128 -2.260 -11.890 1.00 13.11 N ATOM 1034 CA LEU A 67 -5.111 -2.998 -12.631 1.00 2.44 C ATOM 1035 C LEU A 67 -5.591 -4.408 -12.958 1.00 41.11 C ATOM 1036 O LEU A 67 -5.232 -4.971 -13.992 1.00 53.20 O ATOM 1037 CB LEU A 67 -3.812 -3.063 -11.825 1.00 12.11 C ATOM 1038 CG LEU A 67 -2.582 -2.435 -12.482 1.00 33.31 C ATOM 1039 CD1 LEU A 67 -1.553 -2.051 -11.430 1.00 51.24 C ATOM 1040 CD2 LEU A 67 -1.976 -3.390 -13.500 1.00 51.02 C ATOM 0 H LEU A 67 -5.851 -1.994 -10.945 1.00 13.11 H new ATOM 0 HA LEU A 67 -4.925 -2.472 -13.567 1.00 2.44 H new ATOM 0 HB2 LEU A 67 -3.978 -2.571 -10.866 1.00 12.11 H new ATOM 0 HB3 LEU A 67 -3.591 -4.109 -11.613 1.00 12.11 H new ATOM 0 HG LEU A 67 -2.894 -1.530 -13.003 1.00 33.31 H new ATOM 0 HD11 LEU A 67 -0.685 -1.606 -11.916 1.00 51.24 H new ATOM 0 HD12 LEU A 67 -1.991 -1.331 -10.739 1.00 51.24 H new ATOM 0 HD13 LEU A 67 -1.245 -2.941 -10.881 1.00 51.24 H new ATOM 0 HD21 LEU A 67 -1.102 -2.927 -13.958 1.00 51.02 H new ATOM 0 HD22 LEU A 67 -1.679 -4.313 -13.001 1.00 51.02 H new ATOM 0 HD23 LEU A 67 -2.713 -3.615 -14.271 1.00 51.02 H new ATOM 1052 N GLN A 68 -6.405 -4.971 -12.071 1.00 72.03 N ATOM 1053 CA GLN A 68 -6.936 -6.315 -12.268 1.00 25.04 C ATOM 1054 C GLN A 68 -7.867 -6.362 -13.474 1.00 51.33 C ATOM 1055 O GLN A 68 -7.677 -7.166 -14.386 1.00 23.12 O ATOM 1056 CB GLN A 68 -7.680 -6.780 -11.015 1.00 72.21 C ATOM 1057 CG GLN A 68 -7.368 -8.214 -10.619 1.00 61.30 C ATOM 1058 CD GLN A 68 -8.169 -9.227 -11.414 1.00 4.20 C ATOM 1059 OE1 GLN A 68 -7.614 -9.995 -12.200 1.00 64.11 O ATOM 1060 NE2 GLN A 68 -9.481 -9.233 -11.213 1.00 72.41 N ATOM 0 H GLN A 68 -6.711 -4.518 -11.210 1.00 72.03 H new ATOM 0 HA GLN A 68 -6.098 -6.986 -12.454 1.00 25.04 H new ATOM 0 HB2 GLN A 68 -7.426 -6.120 -10.186 1.00 72.21 H new ATOM 0 HB3 GLN A 68 -8.753 -6.683 -11.183 1.00 72.21 H new ATOM 0 HG2 GLN A 68 -6.304 -8.404 -10.764 1.00 61.30 H new ATOM 0 HG3 GLN A 68 -7.574 -8.347 -9.557 1.00 61.30 H new ATOM 0 HE21 GLN A 68 -9.899 -8.578 -10.552 1.00 72.41 H new ATOM 0 HE22 GLN A 68 -10.072 -9.892 -11.720 1.00 72.41 H new ATOM 1069 N GLU A 69 -8.875 -5.494 -13.472 1.00 24.30 N ATOM 1070 CA GLU A 69 -9.836 -5.439 -14.567 1.00 12.43 C ATOM 1071 C GLU A 69 -9.127 -5.245 -15.904 1.00 54.01 C ATOM 1072 O GLU A 69 -9.454 -5.902 -16.893 1.00 22.45 O ATOM 1073 CB GLU A 69 -10.837 -4.304 -14.339 1.00 11.05 C ATOM 1074 CG GLU A 69 -12.275 -4.690 -14.644 1.00 44.34 C ATOM 1075 CD GLU A 69 -13.271 -3.987 -13.743 1.00 75.31 C ATOM 1076 OE1 GLU A 69 -13.425 -4.418 -12.581 1.00 10.43 O ATOM 1077 OE2 GLU A 69 -13.898 -3.008 -14.200 1.00 22.44 O ATOM 0 H GLU A 69 -9.047 -4.821 -12.725 1.00 24.30 H new ATOM 0 HA GLU A 69 -10.372 -6.388 -14.594 1.00 12.43 H new ATOM 0 HB2 GLU A 69 -10.770 -3.975 -13.302 1.00 11.05 H new ATOM 0 HB3 GLU A 69 -10.558 -3.454 -14.962 1.00 11.05 H new ATOM 0 HG2 GLU A 69 -12.499 -4.450 -15.684 1.00 44.34 H new ATOM 0 HG3 GLU A 69 -12.389 -5.768 -14.534 1.00 44.34 H new ATOM 1084 N ARG A 70 -8.156 -4.338 -15.927 1.00 14.24 N ATOM 1085 CA ARG A 70 -7.402 -4.056 -17.142 1.00 54.31 C ATOM 1086 C ARG A 70 -6.459 -5.208 -17.476 1.00 52.35 C ATOM 1087 O ARG A 70 -6.133 -5.438 -18.641 1.00 41.31 O ATOM 1088 CB ARG A 70 -6.606 -2.759 -16.984 1.00 65.51 C ATOM 1089 CG ARG A 70 -7.008 -1.673 -17.968 1.00 72.21 C ATOM 1090 CD ARG A 70 -8.102 -0.784 -17.399 1.00 13.41 C ATOM 1091 NE ARG A 70 -9.049 -0.355 -18.425 1.00 45.03 N ATOM 1092 CZ ARG A 70 -9.988 0.561 -18.222 1.00 14.42 C ATOM 1093 NH1 ARG A 70 -10.106 1.143 -17.036 1.00 75.30 N ATOM 1094 NH2 ARG A 70 -10.812 0.899 -19.206 1.00 32.51 N ATOM 0 H ARG A 70 -7.873 -3.786 -15.117 1.00 14.24 H new ATOM 0 HA ARG A 70 -8.111 -3.941 -17.962 1.00 54.31 H new ATOM 0 HB2 ARG A 70 -6.737 -2.384 -15.969 1.00 65.51 H new ATOM 0 HB3 ARG A 70 -5.545 -2.976 -17.109 1.00 65.51 H new ATOM 0 HG2 ARG A 70 -6.138 -1.066 -18.218 1.00 72.21 H new ATOM 0 HG3 ARG A 70 -7.354 -2.130 -18.895 1.00 72.21 H new ATOM 0 HD2 ARG A 70 -8.636 -1.322 -16.616 1.00 13.41 H new ATOM 0 HD3 ARG A 70 -7.651 0.092 -16.933 1.00 13.41 H new ATOM 0 HE ARG A 70 -8.985 -0.783 -19.349 1.00 45.03 H new ATOM 0 HH11 ARG A 70 -9.474 0.887 -16.277 1.00 75.30 H new ATOM 0 HH12 ARG A 70 -10.828 1.847 -16.883 1.00 75.30 H new ATOM 0 HH21 ARG A 70 -10.724 0.455 -20.120 1.00 32.51 H new ATOM 0 HH22 ARG A 70 -11.533 1.603 -19.048 1.00 32.51 H new ATOM 1108 N ARG A 71 -6.025 -5.928 -16.447 1.00 44.44 N ATOM 1109 CA ARG A 71 -5.118 -7.054 -16.632 1.00 22.13 C ATOM 1110 C ARG A 71 -5.799 -8.180 -17.404 1.00 34.13 C ATOM 1111 O ARG A 71 -5.170 -8.859 -18.214 1.00 24.44 O ATOM 1112 CB ARG A 71 -4.631 -7.572 -15.277 1.00 14.21 C ATOM 1113 CG ARG A 71 -3.749 -8.805 -15.377 1.00 70.33 C ATOM 1114 CD ARG A 71 -4.557 -10.083 -15.210 1.00 65.01 C ATOM 1115 NE ARG A 71 -3.904 -11.029 -14.309 1.00 62.00 N ATOM 1116 CZ ARG A 71 -4.442 -12.188 -13.945 1.00 45.10 C ATOM 1117 NH1 ARG A 71 -5.634 -12.542 -14.403 1.00 72.02 N ATOM 1118 NH2 ARG A 71 -3.786 -12.995 -13.121 1.00 63.44 N ATOM 0 H ARG A 71 -6.287 -5.752 -15.477 1.00 44.44 H new ATOM 0 HA ARG A 71 -4.262 -6.707 -17.210 1.00 22.13 H new ATOM 0 HB2 ARG A 71 -4.078 -6.780 -14.773 1.00 14.21 H new ATOM 0 HB3 ARG A 71 -5.495 -7.804 -14.654 1.00 14.21 H new ATOM 0 HG2 ARG A 71 -3.245 -8.816 -16.343 1.00 70.33 H new ATOM 0 HG3 ARG A 71 -2.973 -8.761 -14.613 1.00 70.33 H new ATOM 0 HD2 ARG A 71 -5.547 -9.838 -14.824 1.00 65.01 H new ATOM 0 HD3 ARG A 71 -4.701 -10.551 -16.184 1.00 65.01 H new ATOM 0 HE ARG A 71 -2.985 -10.787 -13.939 1.00 62.00 H new ATOM 0 HH11 ARG A 71 -6.141 -11.924 -15.037 1.00 72.02 H new ATOM 0 HH12 ARG A 71 -6.045 -13.432 -14.122 1.00 72.02 H new ATOM 0 HH21 ARG A 71 -2.868 -12.726 -12.767 1.00 63.44 H new ATOM 0 HH22 ARG A 71 -4.200 -13.885 -12.842 1.00 63.44 H new ATOM 1132 N GLU A 72 -7.089 -8.371 -17.146 1.00 34.24 N ATOM 1133 CA GLU A 72 -7.855 -9.416 -17.815 1.00 52.35 C ATOM 1134 C GLU A 72 -8.247 -8.984 -19.226 1.00 2.23 C ATOM 1135 O GLU A 72 -7.910 -9.647 -20.207 1.00 33.12 O ATOM 1136 CB GLU A 72 -9.109 -9.757 -17.008 1.00 54.01 C ATOM 1137 CG GLU A 72 -9.101 -11.165 -16.437 1.00 0.24 C ATOM 1138 CD GLU A 72 -10.191 -12.039 -17.024 1.00 74.51 C ATOM 1139 OE1 GLU A 72 -10.258 -12.152 -18.266 1.00 11.21 O ATOM 1140 OE2 GLU A 72 -10.978 -12.612 -16.241 1.00 52.01 O ATOM 0 H GLU A 72 -7.625 -7.816 -16.479 1.00 34.24 H new ATOM 0 HA GLU A 72 -7.225 -10.303 -17.886 1.00 52.35 H new ATOM 0 HB2 GLU A 72 -9.210 -9.043 -16.191 1.00 54.01 H new ATOM 0 HB3 GLU A 72 -9.985 -9.638 -17.646 1.00 54.01 H new ATOM 0 HG2 GLU A 72 -8.131 -11.624 -16.627 1.00 0.24 H new ATOM 0 HG3 GLU A 72 -9.224 -11.115 -15.355 1.00 0.24 H new ATOM 1147 N LYS A 73 -8.961 -7.867 -19.319 1.00 61.21 N ATOM 1148 CA LYS A 73 -9.399 -7.344 -20.608 1.00 30.13 C ATOM 1149 C LYS A 73 -8.225 -7.224 -21.574 1.00 22.01 C ATOM 1150 O LYS A 73 -8.392 -7.346 -22.788 1.00 3.14 O ATOM 1151 CB LYS A 73 -10.066 -5.979 -20.427 1.00 12.20 C ATOM 1152 CG LYS A 73 -11.442 -5.885 -21.063 1.00 35.43 C ATOM 1153 CD LYS A 73 -11.833 -4.443 -21.337 1.00 14.23 C ATOM 1154 CE LYS A 73 -11.382 -3.996 -22.719 1.00 13.02 C ATOM 1155 NZ LYS A 73 -12.231 -2.894 -23.250 1.00 11.31 N ATOM 0 H LYS A 73 -9.249 -7.306 -18.517 1.00 61.21 H new ATOM 0 HA LYS A 73 -10.122 -8.042 -21.029 1.00 30.13 H new ATOM 0 HB2 LYS A 73 -10.152 -5.764 -19.362 1.00 12.20 H new ATOM 0 HB3 LYS A 73 -9.423 -5.210 -20.856 1.00 12.20 H new ATOM 0 HG2 LYS A 73 -11.452 -6.449 -21.996 1.00 35.43 H new ATOM 0 HG3 LYS A 73 -12.180 -6.344 -20.405 1.00 35.43 H new ATOM 0 HD2 LYS A 73 -12.915 -4.336 -21.254 1.00 14.23 H new ATOM 0 HD3 LYS A 73 -11.390 -3.795 -20.581 1.00 14.23 H new ATOM 0 HE2 LYS A 73 -10.344 -3.665 -22.673 1.00 13.02 H new ATOM 0 HE3 LYS A 73 -11.416 -4.843 -23.404 1.00 13.02 H new ATOM 0 HZ1 LYS A 73 -11.891 -2.618 -24.193 1.00 11.31 H new ATOM 0 HZ2 LYS A 73 -13.217 -3.217 -23.318 1.00 11.31 H new ATOM 0 HZ3 LYS A 73 -12.178 -2.076 -22.610 1.00 11.31 H new ATOM 1169 N PHE A 74 -7.037 -6.986 -21.028 1.00 0.23 N ATOM 1170 CA PHE A 74 -5.835 -6.850 -21.842 1.00 4.04 C ATOM 1171 C PHE A 74 -5.099 -8.182 -21.951 1.00 24.10 C ATOM 1172 O PHE A 74 -4.373 -8.425 -22.914 1.00 24.51 O ATOM 1173 CB PHE A 74 -4.907 -5.789 -21.246 1.00 21.24 C ATOM 1174 CG PHE A 74 -3.879 -5.280 -22.214 1.00 44.55 C ATOM 1175 CD1 PHE A 74 -4.187 -4.258 -23.098 1.00 44.23 C ATOM 1176 CD2 PHE A 74 -2.604 -5.823 -22.242 1.00 11.51 C ATOM 1177 CE1 PHE A 74 -3.243 -3.786 -23.991 1.00 25.20 C ATOM 1178 CE2 PHE A 74 -1.656 -5.355 -23.132 1.00 0.31 C ATOM 1179 CZ PHE A 74 -1.976 -4.336 -24.008 1.00 61.24 C ATOM 0 H PHE A 74 -6.881 -6.883 -20.025 1.00 0.23 H new ATOM 0 HA PHE A 74 -6.137 -6.538 -22.842 1.00 4.04 H new ATOM 0 HB2 PHE A 74 -5.507 -4.951 -20.892 1.00 21.24 H new ATOM 0 HB3 PHE A 74 -4.400 -6.208 -20.377 1.00 21.24 H new ATOM 0 HD1 PHE A 74 -5.176 -3.825 -23.089 1.00 44.23 H new ATOM 0 HD2 PHE A 74 -2.349 -6.621 -21.561 1.00 11.51 H new ATOM 0 HE1 PHE A 74 -3.496 -2.989 -24.674 1.00 25.20 H new ATOM 0 HE2 PHE A 74 -0.666 -5.786 -23.143 1.00 0.31 H new ATOM 0 HZ PHE A 74 -1.237 -3.970 -24.705 1.00 61.24 H new ATOM 1189 N GLY A 75 -5.292 -9.042 -20.955 1.00 43.12 N ATOM 1190 CA GLY A 75 -4.640 -10.338 -20.958 1.00 24.35 C ATOM 1191 C GLY A 75 -3.440 -10.386 -20.032 1.00 14.25 C ATOM 1192 O GLY A 75 -2.987 -9.353 -19.538 1.00 72.03 O ATOM 0 H GLY A 75 -5.888 -8.864 -20.147 1.00 43.12 H new ATOM 0 HA2 GLY A 75 -5.357 -11.103 -20.659 1.00 24.35 H new ATOM 0 HA3 GLY A 75 -4.322 -10.579 -21.972 1.00 24.35 H new ATOM 1196 N SER A 76 -2.926 -11.588 -19.793 1.00 41.02 N ATOM 1197 CA SER A 76 -1.775 -11.767 -18.915 1.00 53.34 C ATOM 1198 C SER A 76 -0.510 -11.208 -19.558 1.00 44.33 C ATOM 1199 O SER A 76 -0.331 -11.285 -20.774 1.00 15.31 O ATOM 1200 CB SER A 76 -1.583 -13.249 -18.587 1.00 44.54 C ATOM 1201 OG SER A 76 -1.241 -13.987 -19.747 1.00 63.33 O ATOM 0 H SER A 76 -3.288 -12.453 -20.195 1.00 41.02 H new ATOM 0 HA SER A 76 -1.964 -11.220 -17.991 1.00 53.34 H new ATOM 0 HB2 SER A 76 -0.800 -13.360 -17.837 1.00 44.54 H new ATOM 0 HB3 SER A 76 -2.499 -13.651 -18.153 1.00 44.54 H new ATOM 0 HG SER A 76 -1.122 -14.931 -19.511 1.00 63.33 H new ATOM 1207 N SER A 77 0.367 -10.645 -18.733 1.00 11.23 N ATOM 1208 CA SER A 77 1.615 -10.069 -19.220 1.00 11.14 C ATOM 1209 C SER A 77 2.625 -9.923 -18.085 1.00 52.14 C ATOM 1210 O SER A 77 2.265 -9.591 -16.956 1.00 15.31 O ATOM 1211 CB SER A 77 1.355 -8.706 -19.865 1.00 31.23 C ATOM 1212 OG SER A 77 1.720 -7.651 -18.992 1.00 40.12 O ATOM 0 H SER A 77 0.236 -10.575 -17.724 1.00 11.23 H new ATOM 0 HA SER A 77 2.030 -10.744 -19.969 1.00 11.14 H new ATOM 0 HB2 SER A 77 1.920 -8.626 -20.794 1.00 31.23 H new ATOM 0 HB3 SER A 77 0.300 -8.619 -20.125 1.00 31.23 H new ATOM 0 HG SER A 77 1.900 -6.842 -19.514 1.00 40.12 H new ATOM 1218 N LYS A 78 3.892 -10.174 -18.395 1.00 5.24 N ATOM 1219 CA LYS A 78 4.957 -10.070 -17.404 1.00 2.12 C ATOM 1220 C LYS A 78 4.933 -8.707 -16.720 1.00 13.23 C ATOM 1221 O LYS A 78 5.267 -8.588 -15.541 1.00 74.34 O ATOM 1222 CB LYS A 78 6.319 -10.297 -18.063 1.00 64.21 C ATOM 1223 CG LYS A 78 6.491 -11.691 -18.641 1.00 35.42 C ATOM 1224 CD LYS A 78 7.804 -11.826 -19.392 1.00 64.31 C ATOM 1225 CE LYS A 78 8.194 -13.285 -19.575 1.00 44.04 C ATOM 1226 NZ LYS A 78 7.107 -14.073 -20.219 1.00 63.21 N ATOM 0 H LYS A 78 4.207 -10.451 -19.325 1.00 5.24 H new ATOM 0 HA LYS A 78 4.792 -10.839 -16.649 1.00 2.12 H new ATOM 0 HB2 LYS A 78 6.455 -9.564 -18.858 1.00 64.21 H new ATOM 0 HB3 LYS A 78 7.103 -10.119 -17.327 1.00 64.21 H new ATOM 0 HG2 LYS A 78 6.454 -12.426 -17.837 1.00 35.42 H new ATOM 0 HG3 LYS A 78 5.662 -11.912 -19.313 1.00 35.42 H new ATOM 0 HD2 LYS A 78 7.718 -11.346 -20.367 1.00 64.31 H new ATOM 0 HD3 LYS A 78 8.591 -11.303 -18.848 1.00 64.31 H new ATOM 0 HE2 LYS A 78 9.096 -13.346 -20.183 1.00 44.04 H new ATOM 0 HE3 LYS A 78 8.433 -13.721 -18.605 1.00 44.04 H new ATOM 0 HZ1 LYS A 78 7.472 -15.007 -20.495 1.00 63.21 H new ATOM 0 HZ2 LYS A 78 6.321 -14.193 -19.548 1.00 63.21 H new ATOM 0 HZ3 LYS A 78 6.767 -13.570 -21.064 1.00 63.21 H new ATOM 1240 N GLU A 79 4.534 -7.682 -17.467 1.00 0.15 N ATOM 1241 CA GLU A 79 4.466 -6.328 -16.930 1.00 52.31 C ATOM 1242 C GLU A 79 3.298 -6.185 -15.959 1.00 34.43 C ATOM 1243 O GLU A 79 3.493 -5.934 -14.769 1.00 41.12 O ATOM 1244 CB GLU A 79 4.326 -5.312 -18.066 1.00 14.12 C ATOM 1245 CG GLU A 79 5.608 -5.097 -18.852 1.00 51.00 C ATOM 1246 CD GLU A 79 5.616 -5.846 -20.171 1.00 1.53 C ATOM 1247 OE1 GLU A 79 4.695 -5.622 -20.984 1.00 62.45 O ATOM 1248 OE2 GLU A 79 6.542 -6.654 -20.389 1.00 42.00 O ATOM 0 H GLU A 79 4.253 -7.763 -18.444 1.00 0.15 H new ATOM 0 HA GLU A 79 5.392 -6.133 -16.389 1.00 52.31 H new ATOM 0 HB2 GLU A 79 3.544 -5.647 -18.747 1.00 14.12 H new ATOM 0 HB3 GLU A 79 4.000 -4.358 -17.651 1.00 14.12 H new ATOM 0 HG2 GLU A 79 5.739 -4.032 -19.043 1.00 51.00 H new ATOM 0 HG3 GLU A 79 6.457 -5.420 -18.250 1.00 51.00 H new ATOM 1255 N ILE A 80 2.084 -6.348 -16.474 1.00 51.45 N ATOM 1256 CA ILE A 80 0.885 -6.238 -15.653 1.00 54.14 C ATOM 1257 C ILE A 80 0.962 -7.159 -14.441 1.00 25.13 C ATOM 1258 O ILE A 80 0.444 -6.839 -13.371 1.00 31.21 O ATOM 1259 CB ILE A 80 -0.383 -6.576 -16.460 1.00 60.13 C ATOM 1260 CG1 ILE A 80 -0.481 -5.679 -17.696 1.00 75.52 C ATOM 1261 CG2 ILE A 80 -1.621 -6.425 -15.589 1.00 52.14 C ATOM 1262 CD1 ILE A 80 -0.580 -4.206 -17.368 1.00 20.24 C ATOM 0 H ILE A 80 1.905 -6.557 -17.456 1.00 51.45 H new ATOM 0 HA ILE A 80 0.827 -5.203 -15.317 1.00 54.14 H new ATOM 0 HB ILE A 80 -0.320 -7.613 -16.791 1.00 60.13 H new ATOM 0 HG12 ILE A 80 0.393 -5.845 -18.325 1.00 75.52 H new ATOM 0 HG13 ILE A 80 -1.354 -5.972 -18.279 1.00 75.52 H new ATOM 0 HG21 ILE A 80 -2.509 -6.667 -16.173 1.00 52.14 H new ATOM 0 HG22 ILE A 80 -1.551 -7.102 -14.737 1.00 52.14 H new ATOM 0 HG23 ILE A 80 -1.691 -5.398 -15.231 1.00 52.14 H new ATOM 0 HD11 ILE A 80 -0.646 -3.631 -18.292 1.00 20.24 H new ATOM 0 HD12 ILE A 80 -1.470 -4.027 -16.764 1.00 20.24 H new ATOM 0 HD13 ILE A 80 0.305 -3.897 -16.811 1.00 20.24 H new ATOM 1274 N ASP A 81 1.615 -8.303 -14.615 1.00 20.03 N ATOM 1275 CA ASP A 81 1.764 -9.270 -13.534 1.00 20.43 C ATOM 1276 C ASP A 81 2.613 -8.696 -12.404 1.00 23.31 C ATOM 1277 O ASP A 81 2.169 -8.617 -11.259 1.00 52.21 O ATOM 1278 CB ASP A 81 2.396 -10.560 -14.059 1.00 21.55 C ATOM 1279 CG ASP A 81 2.751 -11.526 -12.945 1.00 30.10 C ATOM 1280 OD1 ASP A 81 3.819 -11.347 -12.322 1.00 72.51 O ATOM 1281 OD2 ASP A 81 1.960 -12.460 -12.696 1.00 5.13 O ATOM 0 H ASP A 81 2.049 -8.583 -15.494 1.00 20.03 H new ATOM 0 HA ASP A 81 0.772 -9.494 -13.141 1.00 20.43 H new ATOM 0 HB2 ASP A 81 1.706 -11.044 -14.750 1.00 21.55 H new ATOM 0 HB3 ASP A 81 3.295 -10.316 -14.625 1.00 21.55 H new ATOM 1286 N MET A 82 3.838 -8.299 -12.734 1.00 54.42 N ATOM 1287 CA MET A 82 4.749 -7.732 -11.747 1.00 11.32 C ATOM 1288 C MET A 82 4.142 -6.494 -11.094 1.00 53.00 C ATOM 1289 O MET A 82 4.525 -6.113 -9.989 1.00 10.24 O ATOM 1290 CB MET A 82 6.085 -7.374 -12.401 1.00 21.24 C ATOM 1291 CG MET A 82 7.191 -8.377 -12.111 1.00 54.34 C ATOM 1292 SD MET A 82 8.837 -7.658 -12.264 1.00 62.12 S ATOM 1293 CE MET A 82 9.791 -9.097 -12.741 1.00 45.23 C ATOM 0 H MET A 82 4.222 -8.360 -13.677 1.00 54.42 H new ATOM 0 HA MET A 82 4.920 -8.482 -10.975 1.00 11.32 H new ATOM 0 HB2 MET A 82 5.945 -7.302 -13.480 1.00 21.24 H new ATOM 0 HB3 MET A 82 6.398 -6.389 -12.054 1.00 21.24 H new ATOM 0 HG2 MET A 82 7.063 -8.772 -11.103 1.00 54.34 H new ATOM 0 HG3 MET A 82 7.101 -9.219 -12.797 1.00 54.34 H new ATOM 0 HE1 MET A 82 10.835 -8.814 -12.874 1.00 45.23 H new ATOM 0 HE2 MET A 82 9.718 -9.857 -11.963 1.00 45.23 H new ATOM 0 HE3 MET A 82 9.402 -9.498 -13.677 1.00 45.23 H new ATOM 1303 N ALA A 83 3.193 -5.871 -11.786 1.00 2.25 N ATOM 1304 CA ALA A 83 2.532 -4.677 -11.272 1.00 24.42 C ATOM 1305 C ALA A 83 1.622 -5.017 -10.096 1.00 42.13 C ATOM 1306 O ALA A 83 1.830 -4.539 -8.980 1.00 72.45 O ATOM 1307 CB ALA A 83 1.739 -3.997 -12.377 1.00 14.51 C ATOM 0 H ALA A 83 2.865 -6.173 -12.703 1.00 2.25 H new ATOM 0 HA ALA A 83 3.300 -3.990 -10.916 1.00 24.42 H new ATOM 0 HB1 ALA A 83 1.251 -3.107 -11.980 1.00 14.51 H new ATOM 0 HB2 ALA A 83 2.412 -3.711 -13.185 1.00 14.51 H new ATOM 0 HB3 ALA A 83 0.985 -4.685 -12.760 1.00 14.51 H new ATOM 1313 N ILE A 84 0.614 -5.843 -10.354 1.00 70.01 N ATOM 1314 CA ILE A 84 -0.327 -6.246 -9.317 1.00 12.03 C ATOM 1315 C ILE A 84 0.390 -6.934 -8.161 1.00 24.53 C ATOM 1316 O ILE A 84 0.043 -6.740 -6.996 1.00 34.22 O ATOM 1317 CB ILE A 84 -1.407 -7.193 -9.873 1.00 22.11 C ATOM 1318 CG1 ILE A 84 -2.348 -7.642 -8.753 1.00 73.05 C ATOM 1319 CG2 ILE A 84 -0.761 -8.396 -10.544 1.00 32.22 C ATOM 1320 CD1 ILE A 84 -3.802 -7.690 -9.169 1.00 61.04 C ATOM 0 H ILE A 84 0.428 -6.246 -11.272 1.00 70.01 H new ATOM 0 HA ILE A 84 -0.805 -5.336 -8.955 1.00 12.03 H new ATOM 0 HB ILE A 84 -1.992 -6.656 -10.619 1.00 22.11 H new ATOM 0 HG12 ILE A 84 -2.044 -8.630 -8.408 1.00 73.05 H new ATOM 0 HG13 ILE A 84 -2.243 -6.963 -7.907 1.00 73.05 H new ATOM 0 HG21 ILE A 84 -1.537 -9.056 -10.932 1.00 32.22 H new ATOM 0 HG22 ILE A 84 -0.128 -8.058 -11.365 1.00 32.22 H new ATOM 0 HG23 ILE A 84 -0.155 -8.936 -9.817 1.00 32.22 H new ATOM 0 HD11 ILE A 84 -4.411 -8.016 -8.326 1.00 61.04 H new ATOM 0 HD12 ILE A 84 -4.123 -6.698 -9.486 1.00 61.04 H new ATOM 0 HD13 ILE A 84 -3.921 -8.391 -9.995 1.00 61.04 H new ATOM 1332 N VAL A 85 1.396 -7.739 -8.491 1.00 33.14 N ATOM 1333 CA VAL A 85 2.165 -8.455 -7.480 1.00 4.20 C ATOM 1334 C VAL A 85 2.879 -7.486 -6.544 1.00 40.53 C ATOM 1335 O VAL A 85 2.785 -7.602 -5.322 1.00 4.22 O ATOM 1336 CB VAL A 85 3.206 -9.389 -8.125 1.00 24.13 C ATOM 1337 CG1 VAL A 85 4.042 -10.076 -7.056 1.00 21.35 C ATOM 1338 CG2 VAL A 85 2.522 -10.413 -9.018 1.00 0.12 C ATOM 0 H VAL A 85 1.697 -7.911 -9.450 1.00 33.14 H new ATOM 0 HA VAL A 85 1.456 -9.053 -6.907 1.00 4.20 H new ATOM 0 HB VAL A 85 3.873 -8.789 -8.744 1.00 24.13 H new ATOM 0 HG11 VAL A 85 4.772 -10.732 -7.531 1.00 21.35 H new ATOM 0 HG12 VAL A 85 4.562 -9.324 -6.462 1.00 21.35 H new ATOM 0 HG13 VAL A 85 3.392 -10.665 -6.409 1.00 21.35 H new ATOM 0 HG21 VAL A 85 3.273 -11.065 -9.466 1.00 0.12 H new ATOM 0 HG22 VAL A 85 1.831 -11.010 -8.423 1.00 0.12 H new ATOM 0 HG23 VAL A 85 1.972 -9.899 -9.806 1.00 0.12 H new ATOM 1348 N THR A 86 3.593 -6.527 -7.126 1.00 63.13 N ATOM 1349 CA THR A 86 4.324 -5.537 -6.345 1.00 60.13 C ATOM 1350 C THR A 86 3.378 -4.711 -5.482 1.00 10.32 C ATOM 1351 O THR A 86 3.604 -4.540 -4.283 1.00 62.20 O ATOM 1352 CB THR A 86 5.132 -4.590 -7.253 1.00 33.21 C ATOM 1353 OG1 THR A 86 4.294 -4.078 -8.296 1.00 23.35 O ATOM 1354 CG2 THR A 86 6.325 -5.311 -7.862 1.00 32.32 C ATOM 0 H THR A 86 3.680 -6.415 -8.136 1.00 63.13 H new ATOM 0 HA THR A 86 5.012 -6.086 -5.702 1.00 60.13 H new ATOM 0 HB THR A 86 5.499 -3.764 -6.644 1.00 33.21 H new ATOM 0 HG1 THR A 86 4.385 -4.639 -9.094 1.00 23.35 H new ATOM 0 HG21 THR A 86 6.880 -4.622 -8.499 1.00 32.32 H new ATOM 0 HG22 THR A 86 6.976 -5.674 -7.066 1.00 32.32 H new ATOM 0 HG23 THR A 86 5.975 -6.154 -8.458 1.00 32.32 H new ATOM 1362 N LEU A 87 2.317 -4.200 -6.097 1.00 3.30 N ATOM 1363 CA LEU A 87 1.335 -3.391 -5.384 1.00 10.24 C ATOM 1364 C LEU A 87 0.771 -4.149 -4.186 1.00 61.34 C ATOM 1365 O LEU A 87 0.445 -3.555 -3.158 1.00 61.24 O ATOM 1366 CB LEU A 87 0.200 -2.984 -6.325 1.00 12.02 C ATOM 1367 CG LEU A 87 0.491 -1.809 -7.259 1.00 62.44 C ATOM 1368 CD1 LEU A 87 -0.701 -1.539 -8.164 1.00 42.22 C ATOM 1369 CD2 LEU A 87 0.848 -0.566 -6.458 1.00 41.01 C ATOM 0 H LEU A 87 2.115 -4.332 -7.088 1.00 3.30 H new ATOM 0 HA LEU A 87 1.836 -2.494 -5.020 1.00 10.24 H new ATOM 0 HB2 LEU A 87 -0.068 -3.848 -6.933 1.00 12.02 H new ATOM 0 HB3 LEU A 87 -0.673 -2.735 -5.722 1.00 12.02 H new ATOM 0 HG LEU A 87 1.344 -2.070 -7.885 1.00 62.44 H new ATOM 0 HD11 LEU A 87 -0.476 -0.700 -8.822 1.00 42.22 H new ATOM 0 HD12 LEU A 87 -0.910 -2.424 -8.764 1.00 42.22 H new ATOM 0 HD13 LEU A 87 -1.573 -1.299 -7.555 1.00 42.22 H new ATOM 0 HD21 LEU A 87 1.052 0.260 -7.139 1.00 41.01 H new ATOM 0 HD22 LEU A 87 0.015 -0.302 -5.806 1.00 41.01 H new ATOM 0 HD23 LEU A 87 1.733 -0.764 -5.853 1.00 41.01 H new ATOM 1381 N LYS A 88 0.661 -5.466 -4.326 1.00 35.05 N ATOM 1382 CA LYS A 88 0.140 -6.308 -3.255 1.00 53.01 C ATOM 1383 C LYS A 88 1.168 -6.470 -2.141 1.00 4.45 C ATOM 1384 O LYS A 88 0.960 -6.010 -1.018 1.00 14.42 O ATOM 1385 CB LYS A 88 -0.253 -7.681 -3.804 1.00 33.40 C ATOM 1386 CG LYS A 88 -1.479 -7.650 -4.700 1.00 33.30 C ATOM 1387 CD LYS A 88 -2.755 -7.886 -3.908 1.00 63.03 C ATOM 1388 CE LYS A 88 -3.832 -8.531 -4.766 1.00 72.05 C ATOM 1389 NZ LYS A 88 -3.908 -10.002 -4.548 1.00 74.10 N ATOM 0 H LYS A 88 0.926 -5.973 -5.170 1.00 35.05 H new ATOM 0 HA LYS A 88 -0.744 -5.822 -2.842 1.00 53.01 H new ATOM 0 HB2 LYS A 88 0.586 -8.092 -4.365 1.00 33.40 H new ATOM 0 HB3 LYS A 88 -0.440 -8.357 -2.969 1.00 33.40 H new ATOM 0 HG2 LYS A 88 -1.537 -6.686 -5.206 1.00 33.30 H new ATOM 0 HG3 LYS A 88 -1.384 -8.411 -5.474 1.00 33.30 H new ATOM 0 HD2 LYS A 88 -2.540 -8.525 -3.051 1.00 63.03 H new ATOM 0 HD3 LYS A 88 -3.121 -6.938 -3.515 1.00 63.03 H new ATOM 0 HE2 LYS A 88 -4.797 -8.080 -4.537 1.00 72.05 H new ATOM 0 HE3 LYS A 88 -3.627 -8.330 -5.818 1.00 72.05 H new ATOM 0 HZ1 LYS A 88 -4.046 -10.482 -5.461 1.00 74.10 H new ATOM 0 HZ2 LYS A 88 -3.024 -10.334 -4.112 1.00 74.10 H new ATOM 0 HZ3 LYS A 88 -4.707 -10.219 -3.919 1.00 74.10 H new ATOM 1403 N VAL A 89 2.281 -7.125 -2.458 1.00 54.32 N ATOM 1404 CA VAL A 89 3.343 -7.344 -1.484 1.00 61.43 C ATOM 1405 C VAL A 89 3.751 -6.038 -0.812 1.00 61.31 C ATOM 1406 O VAL A 89 4.114 -6.020 0.364 1.00 13.24 O ATOM 1407 CB VAL A 89 4.583 -7.981 -2.140 1.00 40.42 C ATOM 1408 CG1 VAL A 89 5.105 -7.098 -3.264 1.00 1.14 C ATOM 1409 CG2 VAL A 89 5.665 -8.231 -1.101 1.00 64.32 C ATOM 0 H VAL A 89 2.470 -7.513 -3.382 1.00 54.32 H new ATOM 0 HA VAL A 89 2.947 -8.027 -0.732 1.00 61.43 H new ATOM 0 HB VAL A 89 4.294 -8.941 -2.569 1.00 40.42 H new ATOM 0 HG11 VAL A 89 5.981 -7.564 -3.716 1.00 1.14 H new ATOM 0 HG12 VAL A 89 4.329 -6.974 -4.020 1.00 1.14 H new ATOM 0 HG13 VAL A 89 5.379 -6.122 -2.863 1.00 1.14 H new ATOM 0 HG21 VAL A 89 6.534 -8.681 -1.581 1.00 64.32 H new ATOM 0 HG22 VAL A 89 5.954 -7.286 -0.642 1.00 64.32 H new ATOM 0 HG23 VAL A 89 5.284 -8.906 -0.334 1.00 64.32 H new ATOM 1419 N PHE A 90 3.689 -4.946 -1.567 1.00 22.32 N ATOM 1420 CA PHE A 90 4.053 -3.634 -1.044 1.00 73.24 C ATOM 1421 C PHE A 90 3.023 -3.149 -0.029 1.00 13.24 C ATOM 1422 O PHE A 90 3.376 -2.665 1.046 1.00 33.04 O ATOM 1423 CB PHE A 90 4.175 -2.623 -2.186 1.00 63.23 C ATOM 1424 CG PHE A 90 4.312 -1.203 -1.717 1.00 42.13 C ATOM 1425 CD1 PHE A 90 5.181 -0.880 -0.687 1.00 35.42 C ATOM 1426 CD2 PHE A 90 3.573 -0.190 -2.307 1.00 61.32 C ATOM 1427 CE1 PHE A 90 5.308 0.426 -0.253 1.00 33.41 C ATOM 1428 CE2 PHE A 90 3.696 1.118 -1.878 1.00 25.22 C ATOM 1429 CZ PHE A 90 4.566 1.426 -0.850 1.00 12.11 C ATOM 0 H PHE A 90 3.390 -4.943 -2.542 1.00 22.32 H new ATOM 0 HA PHE A 90 5.017 -3.724 -0.543 1.00 73.24 H new ATOM 0 HB2 PHE A 90 5.040 -2.880 -2.798 1.00 63.23 H new ATOM 0 HB3 PHE A 90 3.297 -2.703 -2.826 1.00 63.23 H new ATOM 0 HD1 PHE A 90 5.766 -1.658 -0.218 1.00 35.42 H new ATOM 0 HD2 PHE A 90 2.893 -0.426 -3.112 1.00 61.32 H new ATOM 0 HE1 PHE A 90 5.987 0.664 0.552 1.00 33.41 H new ATOM 0 HE2 PHE A 90 3.113 1.898 -2.345 1.00 25.22 H new ATOM 0 HZ PHE A 90 4.666 2.447 -0.514 1.00 12.11 H new ATOM 1439 N ALA A 91 1.747 -3.281 -0.379 1.00 24.45 N ATOM 1440 CA ALA A 91 0.666 -2.858 0.502 1.00 33.20 C ATOM 1441 C ALA A 91 0.601 -3.731 1.751 1.00 4.41 C ATOM 1442 O ALA A 91 0.355 -3.239 2.852 1.00 1.53 O ATOM 1443 CB ALA A 91 -0.663 -2.895 -0.239 1.00 2.13 C ATOM 0 H ALA A 91 1.437 -3.677 -1.266 1.00 24.45 H new ATOM 0 HA ALA A 91 0.867 -1.834 0.817 1.00 33.20 H new ATOM 0 HB1 ALA A 91 -1.462 -2.577 0.431 1.00 2.13 H new ATOM 0 HB2 ALA A 91 -0.620 -2.224 -1.097 1.00 2.13 H new ATOM 0 HB3 ALA A 91 -0.860 -3.911 -0.582 1.00 2.13 H new ATOM 1449 N VAL A 92 0.824 -5.029 1.573 1.00 52.04 N ATOM 1450 CA VAL A 92 0.791 -5.970 2.686 1.00 64.24 C ATOM 1451 C VAL A 92 2.043 -5.846 3.547 1.00 11.43 C ATOM 1452 O VAL A 92 1.966 -5.496 4.725 1.00 51.24 O ATOM 1453 CB VAL A 92 0.666 -7.423 2.189 1.00 40.22 C ATOM 1454 CG1 VAL A 92 0.441 -8.370 3.358 1.00 41.41 C ATOM 1455 CG2 VAL A 92 -0.458 -7.542 1.171 1.00 35.23 C ATOM 0 H VAL A 92 1.030 -5.453 0.668 1.00 52.04 H new ATOM 0 HA VAL A 92 -0.085 -5.722 3.285 1.00 64.24 H new ATOM 0 HB VAL A 92 1.599 -7.704 1.700 1.00 40.22 H new ATOM 0 HG11 VAL A 92 0.355 -9.391 2.987 1.00 41.41 H new ATOM 0 HG12 VAL A 92 1.283 -8.304 4.047 1.00 41.41 H new ATOM 0 HG13 VAL A 92 -0.476 -8.094 3.878 1.00 41.41 H new ATOM 0 HG21 VAL A 92 -0.533 -8.575 0.830 1.00 35.23 H new ATOM 0 HG22 VAL A 92 -1.399 -7.243 1.632 1.00 35.23 H new ATOM 0 HG23 VAL A 92 -0.249 -6.894 0.320 1.00 35.23 H new ATOM 1465 N ALA A 93 3.196 -6.134 2.952 1.00 54.20 N ATOM 1466 CA ALA A 93 4.465 -6.052 3.664 1.00 13.42 C ATOM 1467 C ALA A 93 4.754 -4.621 4.107 1.00 32.44 C ATOM 1468 O ALA A 93 5.607 -4.386 4.962 1.00 64.44 O ATOM 1469 CB ALA A 93 5.595 -6.574 2.790 1.00 22.02 C ATOM 0 H ALA A 93 3.277 -6.426 1.978 1.00 54.20 H new ATOM 0 HA ALA A 93 4.394 -6.674 4.556 1.00 13.42 H new ATOM 0 HB1 ALA A 93 6.537 -6.507 3.334 1.00 22.02 H new ATOM 0 HB2 ALA A 93 5.401 -7.614 2.527 1.00 22.02 H new ATOM 0 HB3 ALA A 93 5.658 -5.976 1.881 1.00 22.02 H new ATOM 1475 N GLY A 94 4.037 -3.668 3.520 1.00 33.10 N ATOM 1476 CA GLY A 94 4.232 -2.273 3.867 1.00 1.41 C ATOM 1477 C GLY A 94 3.218 -1.780 4.880 1.00 2.33 C ATOM 1478 O GLY A 94 3.553 -1.549 6.043 1.00 11.01 O ATOM 0 H GLY A 94 3.324 -3.837 2.810 1.00 33.10 H new ATOM 0 HA2 GLY A 94 5.237 -2.139 4.268 1.00 1.41 H new ATOM 0 HA3 GLY A 94 4.165 -1.665 2.965 1.00 1.41 H new ATOM 1482 N LEU A 95 1.976 -1.616 4.440 1.00 53.12 N ATOM 1483 CA LEU A 95 0.909 -1.145 5.317 1.00 71.25 C ATOM 1484 C LEU A 95 0.713 -2.094 6.494 1.00 23.53 C ATOM 1485 O LEU A 95 0.575 -1.661 7.639 1.00 43.31 O ATOM 1486 CB LEU A 95 -0.398 -1.009 4.534 1.00 54.00 C ATOM 1487 CG LEU A 95 -0.292 -0.349 3.159 1.00 42.41 C ATOM 1488 CD1 LEU A 95 -1.666 -0.222 2.520 1.00 61.35 C ATOM 1489 CD2 LEU A 95 0.373 1.015 3.272 1.00 1.55 C ATOM 0 H LEU A 95 1.682 -1.802 3.481 1.00 53.12 H new ATOM 0 HA LEU A 95 1.196 -0.168 5.706 1.00 71.25 H new ATOM 0 HB2 LEU A 95 -0.826 -2.003 4.405 1.00 54.00 H new ATOM 0 HB3 LEU A 95 -1.101 -0.435 5.137 1.00 54.00 H new ATOM 0 HG LEU A 95 0.326 -0.981 2.521 1.00 42.41 H new ATOM 0 HD11 LEU A 95 -1.570 0.250 1.542 1.00 61.35 H new ATOM 0 HD12 LEU A 95 -2.106 -1.212 2.403 1.00 61.35 H new ATOM 0 HD13 LEU A 95 -2.308 0.388 3.156 1.00 61.35 H new ATOM 0 HD21 LEU A 95 0.440 1.470 2.284 1.00 1.55 H new ATOM 0 HD22 LEU A 95 -0.218 1.655 3.927 1.00 1.55 H new ATOM 0 HD23 LEU A 95 1.374 0.898 3.686 1.00 1.55 H new ATOM 1501 N LEU A 96 0.704 -3.391 6.207 1.00 64.41 N ATOM 1502 CA LEU A 96 0.528 -4.403 7.243 1.00 62.43 C ATOM 1503 C LEU A 96 1.870 -4.802 7.848 1.00 22.31 C ATOM 1504 O LEU A 96 1.930 -5.622 8.763 1.00 21.23 O ATOM 1505 CB LEU A 96 -0.170 -5.636 6.666 1.00 54.24 C ATOM 1506 CG LEU A 96 -1.609 -5.870 7.128 1.00 51.34 C ATOM 1507 CD1 LEU A 96 -1.650 -6.160 8.620 1.00 51.31 C ATOM 1508 CD2 LEU A 96 -2.479 -4.667 6.792 1.00 32.20 C ATOM 0 H LEU A 96 0.817 -3.767 5.265 1.00 64.41 H new ATOM 0 HA LEU A 96 -0.093 -3.976 8.031 1.00 62.43 H new ATOM 0 HB2 LEU A 96 -0.167 -5.555 5.579 1.00 54.24 H new ATOM 0 HB3 LEU A 96 0.420 -6.516 6.922 1.00 54.24 H new ATOM 0 HG LEU A 96 -2.004 -6.738 6.599 1.00 51.34 H new ATOM 0 HD11 LEU A 96 -2.682 -6.324 8.931 1.00 51.31 H new ATOM 0 HD12 LEU A 96 -1.061 -7.052 8.834 1.00 51.31 H new ATOM 0 HD13 LEU A 96 -1.237 -5.313 9.167 1.00 51.31 H new ATOM 0 HD21 LEU A 96 -3.500 -4.851 7.128 1.00 32.20 H new ATOM 0 HD22 LEU A 96 -2.086 -3.782 7.293 1.00 32.20 H new ATOM 0 HD23 LEU A 96 -2.475 -4.505 5.714 1.00 32.20 H new ATOM 1520 N ASN A 97 2.945 -4.215 7.332 1.00 54.34 N ATOM 1521 CA ASN A 97 4.286 -4.508 7.823 1.00 43.34 C ATOM 1522 C ASN A 97 4.541 -6.012 7.845 1.00 10.21 C ATOM 1523 O ASN A 97 5.305 -6.510 8.672 1.00 53.24 O ATOM 1524 CB ASN A 97 4.477 -3.926 9.225 1.00 42.23 C ATOM 1525 CG ASN A 97 4.476 -2.409 9.226 1.00 22.33 C ATOM 1526 OD1 ASN A 97 5.503 -1.776 8.978 1.00 34.51 O ATOM 1527 ND2 ASN A 97 3.320 -1.819 9.507 1.00 3.14 N ATOM 0 H ASN A 97 2.913 -3.533 6.574 1.00 54.34 H new ATOM 0 HA ASN A 97 5.003 -4.046 7.145 1.00 43.34 H new ATOM 0 HB2 ASN A 97 3.682 -4.288 9.877 1.00 42.23 H new ATOM 0 HB3 ASN A 97 5.418 -4.286 9.640 1.00 42.23 H new ATOM 0 HD21 ASN A 97 3.258 -0.801 9.524 1.00 3.14 H new ATOM 0 HD22 ASN A 97 2.494 -2.384 9.706 1.00 3.14 H new ATOM 1534 N MET A 98 3.896 -6.729 6.931 1.00 20.30 N ATOM 1535 CA MET A 98 4.054 -8.176 6.845 1.00 62.41 C ATOM 1536 C MET A 98 5.522 -8.553 6.669 1.00 32.43 C ATOM 1537 O MET A 98 6.378 -7.688 6.483 1.00 23.25 O ATOM 1538 CB MET A 98 3.230 -8.733 5.682 1.00 0.32 C ATOM 1539 CG MET A 98 2.323 -9.887 6.078 1.00 41.25 C ATOM 1540 SD MET A 98 1.010 -9.383 7.206 1.00 71.13 S ATOM 1541 CE MET A 98 1.093 -10.691 8.427 1.00 10.51 C ATOM 0 H MET A 98 3.259 -6.332 6.240 1.00 20.30 H new ATOM 0 HA MET A 98 3.694 -8.611 7.777 1.00 62.41 H new ATOM 0 HB2 MET A 98 2.622 -7.932 5.261 1.00 0.32 H new ATOM 0 HB3 MET A 98 3.906 -9.067 4.895 1.00 0.32 H new ATOM 0 HG2 MET A 98 1.880 -10.320 5.181 1.00 41.25 H new ATOM 0 HG3 MET A 98 2.920 -10.669 6.548 1.00 41.25 H new ATOM 0 HE1 MET A 98 0.339 -10.520 9.195 1.00 10.51 H new ATOM 0 HE2 MET A 98 0.909 -11.651 7.945 1.00 10.51 H new ATOM 0 HE3 MET A 98 2.082 -10.699 8.885 1.00 10.51 H new ATOM 1551 N THR A 99 5.806 -9.851 6.730 1.00 45.34 N ATOM 1552 CA THR A 99 7.170 -10.342 6.579 1.00 43.32 C ATOM 1553 C THR A 99 7.247 -11.436 5.520 1.00 11.30 C ATOM 1554 O THR A 99 7.835 -12.493 5.747 1.00 70.21 O ATOM 1555 CB THR A 99 7.720 -10.891 7.909 1.00 50.12 C ATOM 1556 OG1 THR A 99 7.055 -12.113 8.246 1.00 21.41 O ATOM 1557 CG2 THR A 99 7.533 -9.880 9.030 1.00 22.01 C ATOM 0 H THR A 99 5.110 -10.580 6.883 1.00 45.34 H new ATOM 0 HA THR A 99 7.778 -9.493 6.265 1.00 43.32 H new ATOM 0 HB THR A 99 8.786 -11.080 7.786 1.00 50.12 H new ATOM 0 HG1 THR A 99 7.278 -12.800 7.584 1.00 21.41 H new ATOM 0 HG21 THR A 99 7.929 -10.290 9.959 1.00 22.01 H new ATOM 0 HG22 THR A 99 8.064 -8.961 8.783 1.00 22.01 H new ATOM 0 HG23 THR A 99 6.472 -9.664 9.152 1.00 22.01 H new ATOM 1565 N VAL A 100 6.649 -11.175 4.362 1.00 44.34 N ATOM 1566 CA VAL A 100 6.652 -12.137 3.266 1.00 33.03 C ATOM 1567 C VAL A 100 7.903 -11.990 2.408 1.00 2.02 C ATOM 1568 O VAL A 100 8.175 -10.918 1.867 1.00 73.32 O ATOM 1569 CB VAL A 100 5.408 -11.973 2.373 1.00 72.41 C ATOM 1570 CG1 VAL A 100 4.151 -12.376 3.129 1.00 54.42 C ATOM 1571 CG2 VAL A 100 5.301 -10.543 1.866 1.00 34.12 C ATOM 0 H VAL A 100 6.156 -10.305 4.158 1.00 44.34 H new ATOM 0 HA VAL A 100 6.639 -13.130 3.716 1.00 33.03 H new ATOM 0 HB VAL A 100 5.511 -12.632 1.511 1.00 72.41 H new ATOM 0 HG11 VAL A 100 3.282 -12.253 2.482 1.00 54.42 H new ATOM 0 HG12 VAL A 100 4.230 -13.419 3.437 1.00 54.42 H new ATOM 0 HG13 VAL A 100 4.039 -11.745 4.011 1.00 54.42 H new ATOM 0 HG21 VAL A 100 4.416 -10.445 1.237 1.00 34.12 H new ATOM 0 HG22 VAL A 100 5.221 -9.862 2.713 1.00 34.12 H new ATOM 0 HG23 VAL A 100 6.189 -10.296 1.284 1.00 34.12 H new ATOM 1581 N SER A 101 8.662 -13.074 2.288 1.00 64.41 N ATOM 1582 CA SER A 101 9.888 -13.066 1.498 1.00 51.42 C ATOM 1583 C SER A 101 9.635 -13.616 0.098 1.00 65.25 C ATOM 1584 O SER A 101 10.570 -13.973 -0.621 1.00 21.44 O ATOM 1585 CB SER A 101 10.974 -13.888 2.193 1.00 21.44 C ATOM 1586 OG SER A 101 11.679 -13.105 3.140 1.00 4.15 O ATOM 0 H SER A 101 8.450 -13.970 2.728 1.00 64.41 H new ATOM 0 HA SER A 101 10.226 -12.034 1.409 1.00 51.42 H new ATOM 0 HB2 SER A 101 10.522 -14.746 2.690 1.00 21.44 H new ATOM 0 HB3 SER A 101 11.669 -14.279 1.450 1.00 21.44 H new ATOM 0 HG SER A 101 11.899 -12.235 2.746 1.00 4.15 H new ATOM 1592 N THR A 102 8.364 -13.682 -0.285 1.00 70.23 N ATOM 1593 CA THR A 102 7.986 -14.190 -1.598 1.00 45.12 C ATOM 1594 C THR A 102 6.763 -13.459 -2.140 1.00 4.34 C ATOM 1595 O THR A 102 5.717 -13.417 -1.493 1.00 41.32 O ATOM 1596 CB THR A 102 7.689 -15.700 -1.552 1.00 73.51 C ATOM 1597 OG1 THR A 102 6.430 -15.932 -0.910 1.00 71.31 O ATOM 1598 CG2 THR A 102 8.787 -16.446 -0.810 1.00 23.22 C ATOM 0 H THR A 102 7.578 -13.390 0.296 1.00 70.23 H new ATOM 0 HA THR A 102 8.834 -14.014 -2.260 1.00 45.12 H new ATOM 0 HB THR A 102 7.649 -16.071 -2.576 1.00 73.51 H new ATOM 0 HG1 THR A 102 5.998 -16.715 -1.311 1.00 71.31 H new ATOM 0 HG21 THR A 102 8.555 -17.511 -0.791 1.00 23.22 H new ATOM 0 HG22 THR A 102 9.739 -16.291 -1.318 1.00 23.22 H new ATOM 0 HG23 THR A 102 8.855 -16.071 0.211 1.00 23.22 H new ATOM 1606 N ALA A 103 6.902 -12.884 -3.330 1.00 21.01 N ATOM 1607 CA ALA A 103 5.807 -12.157 -3.959 1.00 51.33 C ATOM 1608 C ALA A 103 4.562 -13.030 -4.074 1.00 1.02 C ATOM 1609 O ALA A 103 3.441 -12.526 -4.120 1.00 54.55 O ATOM 1610 CB ALA A 103 6.228 -11.652 -5.332 1.00 21.15 C ATOM 0 H ALA A 103 7.762 -12.908 -3.878 1.00 21.01 H new ATOM 0 HA ALA A 103 5.562 -11.302 -3.328 1.00 51.33 H new ATOM 0 HB1 ALA A 103 5.400 -11.111 -5.790 1.00 21.15 H new ATOM 0 HB2 ALA A 103 7.084 -10.985 -5.228 1.00 21.15 H new ATOM 0 HB3 ALA A 103 6.502 -12.498 -5.963 1.00 21.15 H new ATOM 1616 N ALA A 104 4.768 -14.342 -4.119 1.00 73.25 N ATOM 1617 CA ALA A 104 3.662 -15.285 -4.227 1.00 74.44 C ATOM 1618 C ALA A 104 2.834 -15.310 -2.947 1.00 23.13 C ATOM 1619 O ALA A 104 1.606 -15.248 -2.989 1.00 10.52 O ATOM 1620 CB ALA A 104 4.185 -16.678 -4.547 1.00 12.01 C ATOM 0 H ALA A 104 5.690 -14.776 -4.082 1.00 73.25 H new ATOM 0 HA ALA A 104 3.015 -14.956 -5.040 1.00 74.44 H new ATOM 0 HB1 ALA A 104 3.348 -17.372 -4.625 1.00 12.01 H new ATOM 0 HB2 ALA A 104 4.726 -16.655 -5.493 1.00 12.01 H new ATOM 0 HB3 ALA A 104 4.856 -17.006 -3.753 1.00 12.01 H new ATOM 1626 N ALA A 105 3.516 -15.402 -1.809 1.00 75.43 N ATOM 1627 CA ALA A 105 2.843 -15.434 -0.516 1.00 61.05 C ATOM 1628 C ALA A 105 2.101 -14.128 -0.252 1.00 31.54 C ATOM 1629 O ALA A 105 1.009 -14.128 0.316 1.00 72.44 O ATOM 1630 CB ALA A 105 3.847 -15.708 0.594 1.00 53.51 C ATOM 0 H ALA A 105 4.533 -15.456 -1.757 1.00 75.43 H new ATOM 0 HA ALA A 105 2.110 -16.240 -0.534 1.00 61.05 H new ATOM 0 HB1 ALA A 105 3.331 -15.729 1.554 1.00 53.51 H new ATOM 0 HB2 ALA A 105 4.329 -16.670 0.420 1.00 53.51 H new ATOM 0 HB3 ALA A 105 4.601 -14.921 0.605 1.00 53.51 H new ATOM 1636 N ALA A 106 2.701 -13.017 -0.665 1.00 65.42 N ATOM 1637 CA ALA A 106 2.096 -11.705 -0.473 1.00 64.25 C ATOM 1638 C ALA A 106 0.765 -11.602 -1.209 1.00 52.03 C ATOM 1639 O ALA A 106 -0.255 -11.250 -0.618 1.00 12.10 O ATOM 1640 CB ALA A 106 3.046 -10.613 -0.941 1.00 43.43 C ATOM 0 H ALA A 106 3.606 -12.999 -1.135 1.00 65.42 H new ATOM 0 HA ALA A 106 1.904 -11.573 0.592 1.00 64.25 H new ATOM 0 HB1 ALA A 106 2.582 -9.638 -0.792 1.00 43.43 H new ATOM 0 HB2 ALA A 106 3.971 -10.666 -0.368 1.00 43.43 H new ATOM 0 HB3 ALA A 106 3.267 -10.752 -1.999 1.00 43.43 H new ATOM 1646 N GLU A 107 0.783 -11.911 -2.502 1.00 52.53 N ATOM 1647 CA GLU A 107 -0.424 -11.850 -3.318 1.00 72.32 C ATOM 1648 C GLU A 107 -1.525 -12.726 -2.727 1.00 21.31 C ATOM 1649 O GLU A 107 -2.676 -12.306 -2.617 1.00 43.34 O ATOM 1650 CB GLU A 107 -0.120 -12.292 -4.751 1.00 54.03 C ATOM 1651 CG GLU A 107 -1.341 -12.304 -5.656 1.00 61.22 C ATOM 1652 CD GLU A 107 -1.508 -13.619 -6.393 1.00 42.11 C ATOM 1653 OE1 GLU A 107 -1.533 -14.674 -5.725 1.00 14.33 O ATOM 1654 OE2 GLU A 107 -1.612 -13.593 -7.637 1.00 74.40 O ATOM 0 H GLU A 107 1.619 -12.206 -3.006 1.00 52.53 H new ATOM 0 HA GLU A 107 -0.772 -10.817 -3.330 1.00 72.32 H new ATOM 0 HB2 GLU A 107 0.631 -11.626 -5.176 1.00 54.03 H new ATOM 0 HB3 GLU A 107 0.316 -13.291 -4.730 1.00 54.03 H new ATOM 0 HG2 GLU A 107 -2.233 -12.110 -5.060 1.00 61.22 H new ATOM 0 HG3 GLU A 107 -1.260 -11.494 -6.380 1.00 61.22 H new ATOM 1661 N ASN A 108 -1.162 -13.947 -2.348 1.00 23.42 N ATOM 1662 CA ASN A 108 -2.118 -14.884 -1.769 1.00 1.03 C ATOM 1663 C ASN A 108 -2.628 -14.378 -0.423 1.00 10.02 C ATOM 1664 O ASN A 108 -3.745 -14.692 -0.013 1.00 71.23 O ATOM 1665 CB ASN A 108 -1.474 -16.262 -1.598 1.00 14.54 C ATOM 1666 CG ASN A 108 -1.463 -17.058 -2.888 1.00 22.52 C ATOM 1667 OD1 ASN A 108 -2.446 -17.076 -3.628 1.00 72.42 O ATOM 1668 ND2 ASN A 108 -0.346 -17.723 -3.163 1.00 14.04 N ATOM 0 H ASN A 108 -0.213 -14.311 -2.431 1.00 23.42 H new ATOM 0 HA ASN A 108 -2.965 -14.968 -2.450 1.00 1.03 H new ATOM 0 HB2 ASN A 108 -0.452 -16.140 -1.240 1.00 14.54 H new ATOM 0 HB3 ASN A 108 -2.015 -16.821 -0.834 1.00 14.54 H new ATOM 0 HD21 ASN A 108 -0.279 -18.277 -4.017 1.00 14.04 H new ATOM 0 HD22 ASN A 108 0.445 -17.679 -2.520 1.00 14.04 H new ATOM 1675 N MET A 109 -1.801 -13.592 0.260 1.00 75.43 N ATOM 1676 CA MET A 109 -2.170 -13.041 1.559 1.00 62.24 C ATOM 1677 C MET A 109 -3.282 -12.007 1.415 1.00 70.22 C ATOM 1678 O MET A 109 -4.319 -12.101 2.073 1.00 44.14 O ATOM 1679 CB MET A 109 -0.951 -12.406 2.231 1.00 32.44 C ATOM 1680 CG MET A 109 -0.647 -12.981 3.605 1.00 31.52 C ATOM 1681 SD MET A 109 -0.663 -11.728 4.902 1.00 62.43 S ATOM 1682 CE MET A 109 -2.314 -11.062 4.709 1.00 73.42 C ATOM 0 H MET A 109 -0.872 -13.323 -0.064 1.00 75.43 H new ATOM 0 HA MET A 109 -2.536 -13.857 2.182 1.00 62.24 H new ATOM 0 HB2 MET A 109 -0.081 -12.541 1.589 1.00 32.44 H new ATOM 0 HB3 MET A 109 -1.115 -11.332 2.324 1.00 32.44 H new ATOM 0 HG2 MET A 109 -1.380 -13.753 3.842 1.00 31.52 H new ATOM 0 HG3 MET A 109 0.330 -13.464 3.584 1.00 31.52 H new ATOM 0 HE1 MET A 109 -2.679 -10.708 5.673 1.00 73.42 H new ATOM 0 HE2 MET A 109 -2.291 -10.232 4.003 1.00 73.42 H new ATOM 0 HE3 MET A 109 -2.979 -11.840 4.333 1.00 73.42 H new ATOM 1692 N TYR A 110 -3.060 -11.022 0.552 1.00 62.32 N ATOM 1693 CA TYR A 110 -4.042 -9.969 0.324 1.00 34.32 C ATOM 1694 C TYR A 110 -5.363 -10.554 -0.167 1.00 52.44 C ATOM 1695 O TYR A 110 -6.439 -10.101 0.223 1.00 0.42 O ATOM 1696 CB TYR A 110 -3.510 -8.957 -0.692 1.00 32.13 C ATOM 1697 CG TYR A 110 -4.069 -7.564 -0.509 1.00 32.35 C ATOM 1698 CD1 TYR A 110 -3.717 -6.792 0.591 1.00 2.21 C ATOM 1699 CD2 TYR A 110 -4.949 -7.020 -1.436 1.00 74.41 C ATOM 1700 CE1 TYR A 110 -4.226 -5.519 0.763 1.00 61.13 C ATOM 1701 CE2 TYR A 110 -5.462 -5.748 -1.273 1.00 53.04 C ATOM 1702 CZ TYR A 110 -5.098 -5.002 -0.172 1.00 40.43 C ATOM 1703 OH TYR A 110 -5.606 -3.734 -0.006 1.00 12.33 O ATOM 0 H TYR A 110 -2.208 -10.931 -0.001 1.00 62.32 H new ATOM 0 HA TYR A 110 -4.220 -9.462 1.272 1.00 34.32 H new ATOM 0 HB2 TYR A 110 -2.423 -8.916 -0.617 1.00 32.13 H new ATOM 0 HB3 TYR A 110 -3.747 -9.305 -1.697 1.00 32.13 H new ATOM 0 HD1 TYR A 110 -3.034 -7.194 1.324 1.00 2.21 H new ATOM 0 HD2 TYR A 110 -5.237 -7.602 -2.299 1.00 74.41 H new ATOM 0 HE1 TYR A 110 -3.943 -4.932 1.624 1.00 61.13 H new ATOM 0 HE2 TYR A 110 -6.144 -5.340 -2.004 1.00 53.04 H new ATOM 0 HH TYR A 110 -6.204 -3.521 -0.753 1.00 12.33 H new ATOM 1713 N SER A 111 -5.272 -11.564 -1.027 1.00 15.51 N ATOM 1714 CA SER A 111 -6.459 -12.209 -1.575 1.00 72.44 C ATOM 1715 C SER A 111 -7.152 -13.062 -0.517 1.00 30.11 C ATOM 1716 O SER A 111 -8.318 -12.840 -0.192 1.00 50.21 O ATOM 1717 CB SER A 111 -6.084 -13.076 -2.779 1.00 42.11 C ATOM 1718 OG SER A 111 -7.212 -13.324 -3.600 1.00 63.32 O ATOM 0 H SER A 111 -4.389 -11.953 -1.359 1.00 15.51 H new ATOM 0 HA SER A 111 -7.149 -11.429 -1.898 1.00 72.44 H new ATOM 0 HB2 SER A 111 -5.309 -12.579 -3.362 1.00 42.11 H new ATOM 0 HB3 SER A 111 -5.666 -14.022 -2.434 1.00 42.11 H new ATOM 0 HG SER A 111 -6.946 -13.878 -4.363 1.00 63.32 H new ATOM 1724 N GLN A 112 -6.425 -14.038 0.017 1.00 64.35 N ATOM 1725 CA GLN A 112 -6.969 -14.925 1.038 1.00 70.22 C ATOM 1726 C GLN A 112 -7.532 -14.126 2.209 1.00 72.44 C ATOM 1727 O GLN A 112 -8.523 -14.521 2.822 1.00 55.12 O ATOM 1728 CB GLN A 112 -5.890 -15.889 1.535 1.00 43.34 C ATOM 1729 CG GLN A 112 -6.421 -16.974 2.457 1.00 61.34 C ATOM 1730 CD GLN A 112 -5.471 -18.149 2.583 1.00 73.25 C ATOM 1731 OE1 GLN A 112 -4.950 -18.428 3.663 1.00 40.03 O ATOM 1732 NE2 GLN A 112 -5.241 -18.846 1.476 1.00 73.12 N ATOM 0 H GLN A 112 -5.458 -14.234 -0.241 1.00 64.35 H new ATOM 0 HA GLN A 112 -7.780 -15.499 0.590 1.00 70.22 H new ATOM 0 HB2 GLN A 112 -5.409 -16.357 0.676 1.00 43.34 H new ATOM 0 HB3 GLN A 112 -5.122 -15.322 2.060 1.00 43.34 H new ATOM 0 HG2 GLN A 112 -6.601 -16.550 3.445 1.00 61.34 H new ATOM 0 HG3 GLN A 112 -7.381 -17.327 2.081 1.00 61.34 H new ATOM 0 HE21 GLN A 112 -5.694 -18.579 0.602 1.00 73.12 H new ATOM 0 HE22 GLN A 112 -4.611 -19.648 1.500 1.00 73.12 H new ATOM 1741 N MET A 113 -6.893 -13.002 2.513 1.00 3.13 N ATOM 1742 CA MET A 113 -7.331 -12.147 3.611 1.00 71.24 C ATOM 1743 C MET A 113 -8.750 -11.640 3.371 1.00 5.22 C ATOM 1744 O MET A 113 -9.474 -11.326 4.314 1.00 11.55 O ATOM 1745 CB MET A 113 -6.375 -10.964 3.777 1.00 31.43 C ATOM 1746 CG MET A 113 -6.779 -10.008 4.888 1.00 74.23 C ATOM 1747 SD MET A 113 -5.402 -9.575 5.967 1.00 24.12 S ATOM 1748 CE MET A 113 -6.274 -9.126 7.466 1.00 41.23 C ATOM 0 H MET A 113 -6.070 -12.661 2.015 1.00 3.13 H new ATOM 0 HA MET A 113 -7.325 -12.740 4.526 1.00 71.24 H new ATOM 0 HB2 MET A 113 -5.373 -11.343 3.981 1.00 31.43 H new ATOM 0 HB3 MET A 113 -6.323 -10.415 2.837 1.00 31.43 H new ATOM 0 HG2 MET A 113 -7.190 -9.099 4.448 1.00 74.23 H new ATOM 0 HG3 MET A 113 -7.572 -10.462 5.482 1.00 74.23 H new ATOM 0 HE1 MET A 113 -5.555 -8.833 8.231 1.00 41.23 H new ATOM 0 HE2 MET A 113 -6.945 -8.292 7.261 1.00 41.23 H new ATOM 0 HE3 MET A 113 -6.853 -9.979 7.820 1.00 41.23 H new ATOM 1758 N GLY A 114 -9.140 -11.562 2.102 1.00 25.14 N ATOM 1759 CA GLY A 114 -10.470 -11.092 1.763 1.00 43.43 C ATOM 1760 C GLY A 114 -10.468 -9.661 1.262 1.00 14.11 C ATOM 1761 O GLY A 114 -11.498 -8.985 1.287 1.00 31.40 O ATOM 0 H GLY A 114 -8.559 -11.816 1.303 1.00 25.14 H new ATOM 0 HA2 GLY A 114 -10.898 -11.741 0.999 1.00 43.43 H new ATOM 0 HA3 GLY A 114 -11.113 -11.166 2.640 1.00 43.43 H new