USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 93 SER OG : rot 73:sc= 1.74 USER MOD Set 2.1: A 83 ASN : amide:sc= -5.11! C(o=-5.9!,f=-3.1!) USER MOD Set 2.2: A 96 THR OG1 : rot -170:sc= -0.761! USER MOD Set 3.1: A 73 SER OG : rot 180:sc= -3.11! USER MOD Set 3.2: A 82 HIS : no HD1:sc= -8.67! C(o=-12!,f=-12!) USER MOD Single : A 11 SER OG : rot 91:sc= 0.0572 USER MOD Single : A 17 ASN : amide:sc= -1.02 K(o=-1,f=0.09) USER MOD Single : A 19 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.37) USER MOD Single : A 29 SER OG : rot 101:sc= 0.369 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 33 TYR OH : rot 63:sc= -1.81! USER MOD Single : A 34 SER OG : rot 12:sc= 0.136 USER MOD Single : A 36 ASN : amide:sc= -1.93! C(o=-1.9!,f=-1.8!) USER MOD Single : A 37 SER OG : rot 37:sc= 0.144 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -7.9! C(o=-7.9!,f=-7.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -85:sc= -3.42! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.02 X(o=-2,f=-2.2) USER MOD Single : A 68 SER OG : rot 58:sc= 1.19 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.44) USER MOD Single : A 76 SER OG : rot -78:sc= -1.26! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.67! C(o=-2.7!,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.341 USER MOD Single : A 89 TYR OH : rot 100:sc= -0.527 USER MOD Single : A 97 TYR OH : rot 127:sc= -3.21! USER MOD Single : A 98 SER OG : rot 180:sc= -0.472 USER MOD Single : A 100 ASN : amide:sc= -6.42! C(o=-6.4!,f=-18!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 81:sc= 0.00138 USER MOD Single : A 108 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.09) USER MOD Single : A 109 SER OG : rot 93:sc= -1.03! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 34.100 -3.328 3.962 1.00 0.00 N ATOM 2 CA ARG A 7 33.251 -2.469 4.777 1.00 0.00 C ATOM 3 C ARG A 7 31.809 -2.491 4.281 1.00 0.00 C ATOM 4 O ARG A 7 31.552 -2.648 3.088 1.00 0.00 O ATOM 5 CB ARG A 7 33.786 -1.036 4.766 1.00 0.00 C ATOM 6 CG ARG A 7 34.376 -0.600 6.096 1.00 0.00 C ATOM 7 CD ARG A 7 35.883 -0.799 6.132 1.00 0.00 C ATOM 8 NE ARG A 7 36.254 -2.039 6.810 1.00 0.00 N ATOM 9 CZ ARG A 7 37.455 -2.261 7.335 1.00 0.00 C ATOM 10 NH1 ARG A 7 38.398 -1.332 7.260 1.00 0.00 N ATOM 11 NH2 ARG A 7 37.713 -3.415 7.936 1.00 0.00 N ATOM 0 HA ARG A 7 33.266 -2.850 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 7 34.549 -0.947 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.978 -0.357 4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 7 34.143 0.450 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 7 33.914 -1.168 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 7 36.272 -0.812 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 7 36.348 0.046 6.640 1.00 0.00 H new ATOM 0 HE ARG A 7 35.552 -2.775 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 7 38.203 -0.444 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 7 39.318 -1.506 7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 7 36.990 -4.132 7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 7 38.634 -3.585 8.339 1.00 0.00 H new ATOM 25 N ARG A 8 30.871 -2.336 5.210 1.00 0.00 N ATOM 26 CA ARG A 8 29.451 -2.341 4.879 1.00 0.00 C ATOM 27 C ARG A 8 29.057 -1.065 4.139 1.00 0.00 C ATOM 28 O ARG A 8 29.877 -0.168 3.948 1.00 0.00 O ATOM 29 CB ARG A 8 28.617 -2.484 6.155 1.00 0.00 C ATOM 30 CG ARG A 8 29.100 -3.592 7.076 1.00 0.00 C ATOM 31 CD ARG A 8 27.938 -4.387 7.651 1.00 0.00 C ATOM 32 NE ARG A 8 28.145 -5.826 7.524 1.00 0.00 N ATOM 33 CZ ARG A 8 27.395 -6.735 8.140 1.00 0.00 C ATOM 34 NH1 ARG A 8 27.645 -8.026 7.974 1.00 0.00 N ATOM 35 NH2 ARG A 8 26.395 -6.352 8.922 1.00 0.00 N ATOM 0 H ARG A 8 31.070 -2.205 6.202 1.00 0.00 H new ATOM 0 HA ARG A 8 29.256 -3.190 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.633 -1.539 6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.580 -2.677 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.762 -4.260 6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.685 -3.161 7.889 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.808 -4.131 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.018 -4.106 7.139 1.00 0.00 H new ATOM 0 HE ARG A 8 28.907 -6.153 6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 8 28.414 -8.323 7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 8 27.069 -8.722 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.200 -5.359 9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 8 25.820 -7.050 9.394 1.00 0.00 H new ATOM 49 N CYS A 9 27.796 -0.996 3.722 1.00 0.00 N ATOM 50 CA CYS A 9 27.287 0.167 3.008 1.00 0.00 C ATOM 51 C CYS A 9 26.859 1.255 3.985 1.00 0.00 C ATOM 52 O CYS A 9 26.653 0.990 5.170 1.00 0.00 O ATOM 53 CB CYS A 9 26.107 -0.236 2.125 1.00 0.00 C ATOM 54 SG CYS A 9 26.589 -0.946 0.517 1.00 0.00 S ATOM 0 H CYS A 9 27.108 -1.735 3.868 1.00 0.00 H new ATOM 0 HA CYS A 9 28.085 0.562 2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.496 -0.962 2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.482 0.640 1.951 1.00 0.00 H new ATOM 59 N PRO A 10 26.735 2.504 3.507 1.00 0.00 N ATOM 60 CA PRO A 10 26.313 3.625 4.345 1.00 0.00 C ATOM 61 C PRO A 10 24.848 3.502 4.736 1.00 0.00 C ATOM 62 O PRO A 10 24.129 2.654 4.208 1.00 0.00 O ATOM 63 CB PRO A 10 26.541 4.844 3.456 1.00 0.00 C ATOM 64 CG PRO A 10 26.421 4.320 2.070 1.00 0.00 C ATOM 65 CD PRO A 10 26.948 2.911 2.106 1.00 0.00 C ATOM 0 HA PRO A 10 26.862 3.676 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.803 5.622 3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.523 5.285 3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.384 4.339 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.993 4.932 1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.411 2.263 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.002 2.869 1.831 1.00 0.00 H new ATOM 73 N SER A 11 24.408 4.334 5.670 1.00 0.00 N ATOM 74 CA SER A 11 23.033 4.277 6.129 1.00 0.00 C ATOM 75 C SER A 11 22.060 4.350 4.952 1.00 0.00 C ATOM 76 O SER A 11 22.019 5.350 4.235 1.00 0.00 O ATOM 77 CB SER A 11 22.746 5.407 7.110 1.00 0.00 C ATOM 78 OG SER A 11 23.917 5.789 7.812 1.00 0.00 O ATOM 0 H SER A 11 24.980 5.049 6.119 1.00 0.00 H new ATOM 0 HA SER A 11 22.891 3.324 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.346 6.266 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.981 5.090 7.819 1.00 0.00 H new ATOM 0 HG SER A 11 24.372 6.507 7.324 1.00 0.00 H new ATOM 84 N PRO A 12 21.264 3.289 4.732 1.00 0.00 N ATOM 85 CA PRO A 12 20.293 3.244 3.636 1.00 0.00 C ATOM 86 C PRO A 12 19.298 4.397 3.698 1.00 0.00 C ATOM 87 O PRO A 12 19.084 4.991 4.754 1.00 0.00 O ATOM 88 CB PRO A 12 19.575 1.905 3.836 1.00 0.00 C ATOM 89 CG PRO A 12 19.888 1.493 5.231 1.00 0.00 C ATOM 90 CD PRO A 12 21.239 2.054 5.530 1.00 0.00 C ATOM 0 HA PRO A 12 20.778 3.336 2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.500 2.010 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.924 1.161 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.143 1.876 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.886 0.407 5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.366 2.257 6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.035 1.368 5.239 1.00 0.00 H new ATOM 98 N ARG A 13 18.700 4.713 2.555 1.00 0.00 N ATOM 99 CA ARG A 13 17.711 5.781 2.480 1.00 0.00 C ATOM 100 C ARG A 13 16.489 5.423 3.307 1.00 0.00 C ATOM 101 O ARG A 13 16.411 4.332 3.866 1.00 0.00 O ATOM 102 CB ARG A 13 17.307 6.033 1.026 1.00 0.00 C ATOM 103 CG ARG A 13 18.009 7.226 0.399 1.00 0.00 C ATOM 104 CD ARG A 13 17.148 7.874 -0.673 1.00 0.00 C ATOM 105 NE ARG A 13 17.889 8.864 -1.449 1.00 0.00 N ATOM 106 CZ ARG A 13 18.250 10.053 -0.975 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.941 10.395 0.268 1.00 0.00 N ATOM 108 NH2 ARG A 13 18.921 10.899 -1.744 1.00 0.00 N ATOM 0 H ARG A 13 18.883 4.245 1.668 1.00 0.00 H new ATOM 0 HA ARG A 13 18.154 6.693 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.526 5.142 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.229 6.190 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.245 7.959 1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.956 6.906 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.763 7.104 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.286 8.351 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 13 18.144 8.631 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.426 9.746 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.219 11.307 0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.161 10.638 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.197 11.811 -1.379 1.00 0.00 H new ATOM 122 N ASP A 14 15.542 6.346 3.392 1.00 0.00 N ATOM 123 CA ASP A 14 14.339 6.116 4.179 1.00 0.00 C ATOM 124 C ASP A 14 13.079 6.452 3.392 1.00 0.00 C ATOM 125 O ASP A 14 13.132 6.725 2.193 1.00 0.00 O ATOM 126 CB ASP A 14 14.385 6.942 5.461 1.00 0.00 C ATOM 127 CG ASP A 14 13.917 6.161 6.673 1.00 0.00 C ATOM 128 OD1 ASP A 14 14.601 6.218 7.717 1.00 0.00 O ATOM 129 OD2 ASP A 14 12.865 5.494 6.579 1.00 0.00 O ATOM 0 H ASP A 14 15.582 7.254 2.930 1.00 0.00 H new ATOM 0 HA ASP A 14 14.305 5.056 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.404 7.290 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.761 7.828 5.341 1.00 0.00 H new ATOM 134 N ILE A 15 11.945 6.422 4.083 1.00 0.00 N ATOM 135 CA ILE A 15 10.656 6.714 3.466 1.00 0.00 C ATOM 136 C ILE A 15 9.732 7.422 4.454 1.00 0.00 C ATOM 137 O ILE A 15 9.847 7.238 5.665 1.00 0.00 O ATOM 138 CB ILE A 15 9.976 5.428 2.961 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.681 5.760 2.217 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.699 4.487 4.122 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.406 4.845 1.044 1.00 0.00 C ATOM 0 H ILE A 15 11.892 6.197 5.076 1.00 0.00 H new ATOM 0 HA ILE A 15 10.843 7.369 2.615 1.00 0.00 H new ATOM 0 HB ILE A 15 10.651 4.930 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.846 5.703 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.730 6.789 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.218 3.582 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.638 4.225 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.042 4.978 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.473 5.139 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.222 4.919 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.325 3.817 1.396 1.00 0.00 H new ATOM 153 N ASP A 16 8.823 8.240 3.932 1.00 0.00 N ATOM 154 CA ASP A 16 7.904 8.996 4.775 1.00 0.00 C ATOM 155 C ASP A 16 6.733 8.140 5.239 1.00 0.00 C ATOM 156 O ASP A 16 6.636 7.792 6.416 1.00 0.00 O ATOM 157 CB ASP A 16 7.384 10.223 4.023 1.00 0.00 C ATOM 158 CG ASP A 16 8.498 11.166 3.615 1.00 0.00 C ATOM 159 OD1 ASP A 16 9.445 11.346 4.410 1.00 0.00 O ATOM 160 OD2 ASP A 16 8.424 11.726 2.501 1.00 0.00 O ATOM 0 H ASP A 16 8.703 8.396 2.931 1.00 0.00 H new ATOM 0 HA ASP A 16 8.456 9.318 5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.843 9.899 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.672 10.757 4.653 1.00 0.00 H new ATOM 165 N ASN A 17 5.841 7.806 4.313 1.00 0.00 N ATOM 166 CA ASN A 17 4.671 7.000 4.641 1.00 0.00 C ATOM 167 C ASN A 17 4.961 5.519 4.453 1.00 0.00 C ATOM 168 O ASN A 17 4.136 4.775 3.922 1.00 0.00 O ATOM 169 CB ASN A 17 3.477 7.417 3.777 1.00 0.00 C ATOM 170 CG ASN A 17 3.440 8.911 3.524 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.036 9.361 2.452 1.00 0.00 O ATOM 172 ND2 ASN A 17 3.879 9.688 4.508 1.00 0.00 N ATOM 0 H ASN A 17 5.905 8.080 3.333 1.00 0.00 H new ATOM 0 HA ASN A 17 4.426 7.171 5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.521 6.891 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.553 7.111 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.890 10.701 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.205 9.271 5.380 1.00 0.00 H new ATOM 179 N GLY A 18 6.136 5.094 4.900 1.00 0.00 N ATOM 180 CA GLY A 18 6.511 3.699 4.772 1.00 0.00 C ATOM 181 C GLY A 18 7.502 3.253 5.831 1.00 0.00 C ATOM 182 O GLY A 18 7.824 4.006 6.750 1.00 0.00 O ATOM 0 H GLY A 18 6.834 5.688 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.616 3.080 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.943 3.533 3.785 1.00 0.00 H new ATOM 186 N GLN A 19 7.987 2.022 5.696 1.00 0.00 N ATOM 187 CA GLN A 19 8.952 1.464 6.637 1.00 0.00 C ATOM 188 C GLN A 19 9.928 0.542 5.914 1.00 0.00 C ATOM 189 O GLN A 19 9.525 -0.275 5.086 1.00 0.00 O ATOM 190 CB GLN A 19 8.238 0.691 7.751 1.00 0.00 C ATOM 191 CG GLN A 19 6.848 1.216 8.074 1.00 0.00 C ATOM 192 CD GLN A 19 6.400 0.858 9.477 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.144 1.032 10.442 1.00 0.00 O ATOM 194 NE2 GLN A 19 5.177 0.355 9.597 1.00 0.00 N ATOM 0 H GLN A 19 7.726 1.389 4.940 1.00 0.00 H new ATOM 0 HA GLN A 19 9.506 2.290 7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.161 -0.357 7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.848 0.728 8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.837 2.300 7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.135 0.812 7.355 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.594 0.228 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.820 0.096 10.517 1.00 0.00 H new ATOM 203 N LEU A 20 11.212 0.680 6.225 1.00 0.00 N ATOM 204 CA LEU A 20 12.238 -0.134 5.587 1.00 0.00 C ATOM 205 C LEU A 20 12.385 -1.488 6.267 1.00 0.00 C ATOM 206 O LEU A 20 12.063 -1.647 7.444 1.00 0.00 O ATOM 207 CB LEU A 20 13.585 0.582 5.609 1.00 0.00 C ATOM 208 CG LEU A 20 13.518 2.106 5.592 1.00 0.00 C ATOM 209 CD1 LEU A 20 14.886 2.673 5.273 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.492 2.592 4.582 1.00 0.00 C ATOM 0 H LEU A 20 11.566 1.345 6.912 1.00 0.00 H new ATOM 0 HA LEU A 20 11.922 -0.293 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.129 0.269 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.167 0.251 4.749 1.00 0.00 H new ATOM 0 HG LEU A 20 13.208 2.454 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.835 3.762 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.599 2.351 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.210 2.315 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.463 3.682 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.767 2.242 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.509 2.201 4.845 1.00 0.00 H new ATOM 222 N ASP A 21 12.911 -2.447 5.518 1.00 0.00 N ATOM 223 CA ASP A 21 13.176 -3.780 6.038 1.00 0.00 C ATOM 224 C ASP A 21 14.622 -4.157 5.744 1.00 0.00 C ATOM 225 O ASP A 21 14.901 -4.930 4.827 1.00 0.00 O ATOM 226 CB ASP A 21 12.224 -4.802 5.414 1.00 0.00 C ATOM 227 CG ASP A 21 11.679 -5.784 6.433 1.00 0.00 C ATOM 228 OD1 ASP A 21 10.665 -5.459 7.087 1.00 0.00 O ATOM 229 OD2 ASP A 21 12.264 -6.878 6.575 1.00 0.00 O ATOM 0 H ASP A 21 13.165 -2.324 4.538 1.00 0.00 H new ATOM 0 HA ASP A 21 13.013 -3.780 7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.395 -4.278 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.747 -5.349 4.630 1.00 0.00 H new ATOM 234 N ILE A 22 15.539 -3.548 6.487 1.00 0.00 N ATOM 235 CA ILE A 22 16.967 -3.755 6.271 1.00 0.00 C ATOM 236 C ILE A 22 17.454 -5.051 6.906 1.00 0.00 C ATOM 237 O ILE A 22 17.794 -5.086 8.088 1.00 0.00 O ATOM 238 CB ILE A 22 17.812 -2.583 6.816 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.013 -1.267 6.759 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.111 -2.477 6.030 1.00 0.00 C ATOM 241 CD1 ILE A 22 17.853 -0.005 6.789 1.00 0.00 C ATOM 0 H ILE A 22 15.318 -2.905 7.247 1.00 0.00 H new ATOM 0 HA ILE A 22 17.099 -3.814 5.191 1.00 0.00 H new ATOM 0 HB ILE A 22 18.057 -2.773 7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.412 -1.264 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.320 -1.244 7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.704 -1.649 6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.674 -3.405 6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.886 -2.301 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.201 0.867 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.435 0.023 7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.528 0.003 5.933 1.00 0.00 H new ATOM 253 N GLY A 23 17.511 -6.107 6.104 1.00 0.00 N ATOM 254 CA GLY A 23 18.010 -7.378 6.589 1.00 0.00 C ATOM 255 C GLY A 23 19.496 -7.543 6.326 1.00 0.00 C ATOM 256 O GLY A 23 20.024 -8.655 6.376 1.00 0.00 O ATOM 0 H GLY A 23 17.220 -6.105 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.820 -7.457 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.464 -8.189 6.107 1.00 0.00 H new ATOM 260 N GLY A 24 20.171 -6.430 6.040 1.00 0.00 N ATOM 261 CA GLY A 24 21.594 -6.468 5.762 1.00 0.00 C ATOM 262 C GLY A 24 22.076 -5.190 5.105 1.00 0.00 C ATOM 263 O GLY A 24 21.319 -4.532 4.392 1.00 0.00 O ATOM 0 H GLY A 24 19.753 -5.501 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.141 -6.627 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.815 -7.315 5.113 1.00 0.00 H new ATOM 267 N VAL A 25 23.329 -4.828 5.353 1.00 0.00 N ATOM 268 CA VAL A 25 23.897 -3.610 4.784 1.00 0.00 C ATOM 269 C VAL A 25 25.302 -3.852 4.245 1.00 0.00 C ATOM 270 O VAL A 25 26.150 -2.961 4.279 1.00 0.00 O ATOM 271 CB VAL A 25 23.949 -2.474 5.824 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.555 -1.928 6.092 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.597 -2.959 7.113 1.00 0.00 C ATOM 0 H VAL A 25 23.970 -5.358 5.943 1.00 0.00 H new ATOM 0 HA VAL A 25 23.243 -3.314 3.963 1.00 0.00 H new ATOM 0 HB VAL A 25 24.558 -1.665 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.613 -1.127 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.132 -1.539 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.919 -2.726 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.625 -2.143 7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.018 -3.787 7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.613 -3.295 6.906 1.00 0.00 H new ATOM 283 N ASP A 26 25.540 -5.057 3.741 1.00 0.00 N ATOM 284 CA ASP A 26 26.847 -5.409 3.193 1.00 0.00 C ATOM 285 C ASP A 26 26.828 -5.386 1.669 1.00 0.00 C ATOM 286 O ASP A 26 25.776 -5.537 1.048 1.00 0.00 O ATOM 287 CB ASP A 26 27.294 -6.792 3.682 1.00 0.00 C ATOM 288 CG ASP A 26 26.136 -7.745 3.919 1.00 0.00 C ATOM 289 OD1 ASP A 26 25.940 -8.659 3.090 1.00 0.00 O ATOM 290 OD2 ASP A 26 25.427 -7.577 4.933 1.00 0.00 O ATOM 0 H ASP A 26 24.848 -5.806 3.700 1.00 0.00 H new ATOM 0 HA ASP A 26 27.559 -4.663 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.971 -7.229 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.858 -6.678 4.608 1.00 0.00 H new ATOM 295 N PHE A 27 28.002 -5.193 1.072 1.00 0.00 N ATOM 296 CA PHE A 27 28.129 -5.156 -0.380 1.00 0.00 C ATOM 297 C PHE A 27 27.461 -6.371 -1.012 1.00 0.00 C ATOM 298 O PHE A 27 28.087 -7.417 -1.187 1.00 0.00 O ATOM 299 CB PHE A 27 29.605 -5.101 -0.781 1.00 0.00 C ATOM 300 CG PHE A 27 29.830 -5.030 -2.267 1.00 0.00 C ATOM 301 CD1 PHE A 27 28.889 -4.443 -3.099 1.00 0.00 C ATOM 302 CD2 PHE A 27 30.987 -5.545 -2.828 1.00 0.00 C ATOM 303 CE1 PHE A 27 29.097 -4.377 -4.464 1.00 0.00 C ATOM 304 CE2 PHE A 27 31.200 -5.480 -4.192 1.00 0.00 C ATOM 305 CZ PHE A 27 30.254 -4.896 -5.011 1.00 0.00 C ATOM 0 H PHE A 27 28.880 -5.060 1.574 1.00 0.00 H new ATOM 0 HA PHE A 27 27.628 -4.259 -0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.067 -4.233 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.111 -5.983 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 27 27.984 -4.033 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 27 31.731 -6.002 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 27 28.355 -3.920 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 27 32.106 -5.886 -4.617 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.419 -4.845 -6.077 1.00 0.00 H new ATOM 315 N GLY A 28 26.185 -6.226 -1.347 1.00 0.00 N ATOM 316 CA GLY A 28 25.443 -7.321 -1.941 1.00 0.00 C ATOM 317 C GLY A 28 24.117 -7.573 -1.247 1.00 0.00 C ATOM 318 O GLY A 28 23.276 -8.312 -1.758 1.00 0.00 O ATOM 0 H GLY A 28 25.650 -5.367 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.262 -7.103 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.047 -8.227 -1.902 1.00 0.00 H new ATOM 322 N SER A 29 23.926 -6.963 -0.078 1.00 0.00 N ATOM 323 CA SER A 29 22.687 -7.128 0.672 1.00 0.00 C ATOM 324 C SER A 29 21.536 -6.416 -0.028 1.00 0.00 C ATOM 325 O SER A 29 21.730 -5.766 -1.056 1.00 0.00 O ATOM 326 CB SER A 29 22.851 -6.586 2.093 1.00 0.00 C ATOM 327 OG SER A 29 22.696 -5.178 2.124 1.00 0.00 O ATOM 0 H SER A 29 24.612 -6.353 0.367 1.00 0.00 H new ATOM 0 HA SER A 29 22.457 -8.192 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.115 -7.050 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.835 -6.855 2.477 1.00 0.00 H new ATOM 0 HG SER A 29 21.795 -4.955 2.439 1.00 0.00 H new ATOM 333 N SER A 30 20.337 -6.545 0.529 1.00 0.00 N ATOM 334 CA SER A 30 19.161 -5.909 -0.050 1.00 0.00 C ATOM 335 C SER A 30 18.158 -5.523 1.030 1.00 0.00 C ATOM 336 O SER A 30 17.975 -6.245 2.010 1.00 0.00 O ATOM 337 CB SER A 30 18.497 -6.840 -1.068 1.00 0.00 C ATOM 338 OG SER A 30 18.607 -8.195 -0.669 1.00 0.00 O ATOM 0 H SER A 30 20.155 -7.082 1.377 1.00 0.00 H new ATOM 0 HA SER A 30 19.488 -5.001 -0.556 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.446 -6.574 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.962 -6.707 -2.045 1.00 0.00 H new ATOM 0 HG SER A 30 18.174 -8.768 -1.335 1.00 0.00 H new ATOM 344 N ILE A 31 17.509 -4.379 0.841 1.00 0.00 N ATOM 345 CA ILE A 31 16.518 -3.891 1.796 1.00 0.00 C ATOM 346 C ILE A 31 15.107 -4.097 1.256 1.00 0.00 C ATOM 347 O ILE A 31 14.929 -4.454 0.092 1.00 0.00 O ATOM 348 CB ILE A 31 16.706 -2.391 2.130 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.122 -1.910 1.801 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.405 -2.140 3.596 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.336 -0.438 2.071 1.00 0.00 C ATOM 0 H ILE A 31 17.651 -3.771 0.034 1.00 0.00 H new ATOM 0 HA ILE A 31 16.662 -4.467 2.710 1.00 0.00 H new ATOM 0 HB ILE A 31 16.008 -1.826 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.838 -2.487 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.331 -2.113 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.541 -1.082 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.376 -2.427 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.082 -2.731 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.360 -0.166 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.644 0.147 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.159 -0.232 3.127 1.00 0.00 H new ATOM 363 N THR A 32 14.106 -3.864 2.100 1.00 0.00 N ATOM 364 CA THR A 32 12.717 -4.020 1.688 1.00 0.00 C ATOM 365 C THR A 32 11.860 -2.856 2.174 1.00 0.00 C ATOM 366 O THR A 32 11.603 -2.714 3.369 1.00 0.00 O ATOM 367 CB THR A 32 12.147 -5.340 2.213 1.00 0.00 C ATOM 368 OG1 THR A 32 13.191 -6.236 2.555 1.00 0.00 O ATOM 369 CG2 THR A 32 11.244 -6.040 1.221 1.00 0.00 C ATOM 0 H THR A 32 14.231 -3.568 3.068 1.00 0.00 H new ATOM 0 HA THR A 32 12.695 -4.029 0.598 1.00 0.00 H new ATOM 0 HB THR A 32 11.555 -5.072 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.807 -7.073 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.875 -6.968 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.401 -5.393 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.805 -6.263 0.313 1.00 0.00 H new ATOM 377 N TYR A 33 11.406 -2.039 1.231 1.00 0.00 N ATOM 378 CA TYR A 33 10.579 -0.881 1.548 1.00 0.00 C ATOM 379 C TYR A 33 9.102 -1.250 1.603 1.00 0.00 C ATOM 380 O TYR A 33 8.623 -2.066 0.816 1.00 0.00 O ATOM 381 CB TYR A 33 10.799 0.220 0.511 1.00 0.00 C ATOM 382 CG TYR A 33 11.995 1.084 0.815 1.00 0.00 C ATOM 383 CD1 TYR A 33 11.840 2.310 1.445 1.00 0.00 C ATOM 384 CD2 TYR A 33 13.280 0.657 0.507 1.00 0.00 C ATOM 385 CE1 TYR A 33 12.931 3.101 1.742 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.379 1.443 0.802 1.00 0.00 C ATOM 387 CZ TYR A 33 14.198 2.663 1.422 1.00 0.00 C ATOM 388 OH TYR A 33 15.287 3.448 1.726 1.00 0.00 O ATOM 0 H TYR A 33 11.598 -2.158 0.236 1.00 0.00 H new ATOM 0 HA TYR A 33 10.875 -0.519 2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.926 -0.234 -0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.909 0.847 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.849 2.651 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.423 -0.302 0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.793 4.058 2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.373 1.104 0.549 1.00 0.00 H new ATOM 0 HH TYR A 33 15.352 3.555 2.698 1.00 0.00 H new ATOM 398 N SER A 34 8.383 -0.630 2.532 1.00 0.00 N ATOM 399 CA SER A 34 6.955 -0.880 2.687 1.00 0.00 C ATOM 400 C SER A 34 6.233 0.382 3.148 1.00 0.00 C ATOM 401 O SER A 34 6.868 1.359 3.536 1.00 0.00 O ATOM 402 CB SER A 34 6.721 -2.011 3.691 1.00 0.00 C ATOM 403 OG SER A 34 6.901 -3.279 3.083 1.00 0.00 O ATOM 0 H SER A 34 8.766 0.050 3.189 1.00 0.00 H new ATOM 0 HA SER A 34 6.553 -1.176 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.409 -1.905 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.712 -1.939 4.096 1.00 0.00 H new ATOM 0 HG SER A 34 7.326 -3.165 2.207 1.00 0.00 H new ATOM 409 N CYS A 35 4.905 0.357 3.100 1.00 0.00 N ATOM 410 CA CYS A 35 4.106 1.499 3.520 1.00 0.00 C ATOM 411 C CYS A 35 3.819 1.439 5.017 1.00 0.00 C ATOM 412 O CYS A 35 4.022 0.406 5.655 1.00 0.00 O ATOM 413 CB CYS A 35 2.795 1.536 2.736 1.00 0.00 C ATOM 414 SG CYS A 35 2.848 2.591 1.251 1.00 0.00 S ATOM 0 H CYS A 35 4.361 -0.442 2.774 1.00 0.00 H new ATOM 0 HA CYS A 35 4.671 2.408 3.316 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.533 0.521 2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.001 1.891 3.393 1.00 0.00 H new ATOM 419 N ASN A 36 3.350 2.552 5.573 1.00 0.00 N ATOM 420 CA ASN A 36 3.042 2.622 6.997 1.00 0.00 C ATOM 421 C ASN A 36 1.855 1.729 7.344 1.00 0.00 C ATOM 422 O ASN A 36 2.029 0.589 7.774 1.00 0.00 O ATOM 423 CB ASN A 36 2.751 4.066 7.408 1.00 0.00 C ATOM 424 CG ASN A 36 3.979 4.771 7.950 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.825 4.157 8.601 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.085 6.068 7.681 1.00 0.00 N ATOM 0 H ASN A 36 3.175 3.416 5.060 1.00 0.00 H new ATOM 0 HA ASN A 36 3.912 2.265 7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.370 4.616 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.967 4.075 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.891 6.594 8.018 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.360 6.537 7.138 1.00 0.00 H new ATOM 433 N SER A 37 0.647 2.253 7.158 1.00 0.00 N ATOM 434 CA SER A 37 -0.566 1.498 7.454 1.00 0.00 C ATOM 435 C SER A 37 -1.738 1.991 6.614 1.00 0.00 C ATOM 436 O SER A 37 -2.005 3.191 6.545 1.00 0.00 O ATOM 437 CB SER A 37 -0.909 1.605 8.941 1.00 0.00 C ATOM 438 OG SER A 37 -0.385 0.506 9.667 1.00 0.00 O ATOM 0 H SER A 37 0.482 3.195 6.804 1.00 0.00 H new ATOM 0 HA SER A 37 -0.380 0.453 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.508 2.535 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.991 1.644 9.066 1.00 0.00 H new ATOM 0 HG SER A 37 0.486 0.253 9.295 1.00 0.00 H new ATOM 444 N GLY A 38 -2.439 1.056 5.981 1.00 0.00 N ATOM 445 CA GLY A 38 -3.570 1.413 5.145 1.00 0.00 C ATOM 446 C GLY A 38 -3.152 2.164 3.896 1.00 0.00 C ATOM 447 O GLY A 38 -3.966 2.843 3.270 1.00 0.00 O ATOM 0 H GLY A 38 -2.244 0.056 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.107 0.508 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.264 2.027 5.720 1.00 0.00 H new ATOM 451 N TYR A 39 -1.878 2.046 3.536 1.00 0.00 N ATOM 452 CA TYR A 39 -1.347 2.724 2.360 1.00 0.00 C ATOM 453 C TYR A 39 -0.981 1.723 1.273 1.00 0.00 C ATOM 454 O TYR A 39 -1.095 0.513 1.465 1.00 0.00 O ATOM 455 CB TYR A 39 -0.104 3.533 2.736 1.00 0.00 C ATOM 456 CG TYR A 39 -0.400 4.931 3.229 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.562 5.212 3.936 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.491 5.969 2.991 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.828 6.490 4.390 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.231 7.250 3.439 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.931 7.505 4.137 1.00 0.00 C ATOM 462 OH TYR A 39 -1.193 8.779 4.587 1.00 0.00 O ATOM 0 H TYR A 39 -1.193 1.486 4.043 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.121 3.391 1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.445 2.996 3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.550 3.597 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.269 4.420 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.403 5.772 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.735 6.692 4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.933 8.047 3.244 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.460 9.375 4.326 1.00 0.00 H new ATOM 472 N HIS A 40 -0.512 2.235 0.140 1.00 0.00 N ATOM 473 CA HIS A 40 -0.079 1.380 -0.957 1.00 0.00 C ATOM 474 C HIS A 40 1.205 1.916 -1.575 1.00 0.00 C ATOM 475 O HIS A 40 1.227 3.000 -2.156 1.00 0.00 O ATOM 476 CB HIS A 40 -1.171 1.249 -2.021 1.00 0.00 C ATOM 477 CG HIS A 40 -1.363 2.479 -2.852 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.533 2.442 -4.220 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.417 3.785 -2.503 1.00 0.00 C ATOM 480 CE1 HIS A 40 -1.681 3.673 -4.677 1.00 0.00 C ATOM 481 NE2 HIS A 40 -1.614 4.506 -3.655 1.00 0.00 N ATOM 0 H HIS A 40 -0.423 3.235 -0.042 1.00 0.00 H new ATOM 0 HA HIS A 40 0.116 0.387 -0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.926 0.414 -2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.113 1.003 -1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.323 4.186 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.831 3.950 -5.710 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.695 5.521 -3.712 1.00 0.00 H new ATOM 490 N LEU A 41 2.280 1.157 -1.412 1.00 0.00 N ATOM 491 CA LEU A 41 3.584 1.544 -1.926 1.00 0.00 C ATOM 492 C LEU A 41 3.672 1.301 -3.426 1.00 0.00 C ATOM 493 O LEU A 41 3.509 0.174 -3.893 1.00 0.00 O ATOM 494 CB LEU A 41 4.675 0.756 -1.200 1.00 0.00 C ATOM 495 CG LEU A 41 6.090 0.949 -1.740 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.112 0.698 -0.642 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.335 0.030 -2.926 1.00 0.00 C ATOM 0 H LEU A 41 2.272 0.262 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 41 3.726 2.610 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.664 1.038 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.427 -0.304 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 41 6.198 1.979 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.117 0.839 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.945 1.398 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.008 -0.323 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.348 0.180 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.213 -1.007 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.620 0.258 -3.716 1.00 0.00 H new ATOM 509 N ILE A 42 3.918 2.366 -4.181 1.00 0.00 N ATOM 510 CA ILE A 42 4.031 2.255 -5.630 1.00 0.00 C ATOM 511 C ILE A 42 5.489 2.134 -6.049 1.00 0.00 C ATOM 512 O ILE A 42 6.389 2.597 -5.348 1.00 0.00 O ATOM 513 CB ILE A 42 3.390 3.452 -6.364 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.191 3.991 -5.578 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.961 3.038 -7.761 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.165 2.930 -5.246 1.00 0.00 C ATOM 0 H ILE A 42 4.042 3.310 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 42 3.488 1.354 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 42 4.132 4.247 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.547 4.444 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.712 4.781 -6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.510 3.890 -8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.831 2.698 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.234 2.229 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.343 3.380 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.782 2.493 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.630 2.151 -4.641 1.00 0.00 H new ATOM 528 N GLY A 43 5.717 1.497 -7.190 1.00 0.00 N ATOM 529 CA GLY A 43 7.072 1.300 -7.670 1.00 0.00 C ATOM 530 C GLY A 43 7.713 0.066 -7.068 1.00 0.00 C ATOM 531 O GLY A 43 7.068 -0.976 -6.948 1.00 0.00 O ATOM 0 H GLY A 43 4.989 1.113 -7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.062 1.210 -8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.674 2.176 -7.428 1.00 0.00 H new ATOM 535 N GLU A 44 8.975 0.182 -6.668 1.00 0.00 N ATOM 536 CA GLU A 44 9.678 -0.938 -6.060 1.00 0.00 C ATOM 537 C GLU A 44 9.474 -0.964 -4.561 1.00 0.00 C ATOM 538 O GLU A 44 8.789 -0.117 -3.991 1.00 0.00 O ATOM 539 CB GLU A 44 11.175 -0.871 -6.339 1.00 0.00 C ATOM 540 CG GLU A 44 11.515 -0.290 -7.688 1.00 0.00 C ATOM 541 CD GLU A 44 13.007 -0.262 -7.957 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.473 0.686 -8.623 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.710 -1.190 -7.502 1.00 0.00 O ATOM 0 H GLU A 44 9.528 1.035 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 44 9.264 -1.843 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.653 -0.272 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.594 -1.875 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.021 -0.874 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.120 0.724 -7.752 1.00 0.00 H new ATOM 550 N SER A 45 10.136 -1.915 -3.934 1.00 0.00 N ATOM 551 CA SER A 45 10.081 -2.083 -2.502 1.00 0.00 C ATOM 552 C SER A 45 11.326 -2.785 -2.007 1.00 0.00 C ATOM 553 O SER A 45 11.312 -3.417 -0.951 1.00 0.00 O ATOM 554 CB SER A 45 8.863 -2.910 -2.132 1.00 0.00 C ATOM 555 OG SER A 45 8.679 -3.984 -3.039 1.00 0.00 O ATOM 0 H SER A 45 10.730 -2.595 -4.409 1.00 0.00 H new ATOM 0 HA SER A 45 10.016 -1.099 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.978 -3.300 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.976 -2.276 -2.130 1.00 0.00 H new ATOM 0 HG SER A 45 7.889 -4.502 -2.777 1.00 0.00 H new ATOM 561 N LYS A 46 12.403 -2.681 -2.769 1.00 0.00 N ATOM 562 CA LYS A 46 13.638 -3.340 -2.395 1.00 0.00 C ATOM 563 C LYS A 46 14.863 -2.592 -2.905 1.00 0.00 C ATOM 564 O LYS A 46 14.969 -2.276 -4.090 1.00 0.00 O ATOM 565 CB LYS A 46 13.639 -4.768 -2.930 1.00 0.00 C ATOM 566 CG LYS A 46 12.940 -5.761 -2.016 1.00 0.00 C ATOM 567 CD LYS A 46 13.573 -7.140 -2.101 1.00 0.00 C ATOM 568 CE LYS A 46 14.392 -7.454 -0.859 1.00 0.00 C ATOM 569 NZ LYS A 46 14.262 -8.881 -0.452 1.00 0.00 N ATOM 0 H LYS A 46 12.445 -2.152 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 46 13.693 -3.351 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.154 -4.782 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.669 -5.090 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.983 -5.403 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.886 -5.826 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.794 -7.892 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.211 -7.195 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.441 -7.225 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.069 -6.812 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.836 -9.053 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.265 -9.094 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.594 -9.494 -1.224 1.00 0.00 H new ATOM 583 N SER A 47 15.796 -2.335 -1.996 1.00 0.00 N ATOM 584 CA SER A 47 17.043 -1.661 -2.331 1.00 0.00 C ATOM 585 C SER A 47 18.191 -2.648 -2.284 1.00 0.00 C ATOM 586 O SER A 47 18.128 -3.640 -1.559 1.00 0.00 O ATOM 587 CB SER A 47 17.294 -0.508 -1.358 1.00 0.00 C ATOM 588 OG SER A 47 16.470 -0.624 -0.213 1.00 0.00 O ATOM 0 H SER A 47 15.710 -2.587 -1.011 1.00 0.00 H new ATOM 0 HA SER A 47 16.969 -1.256 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 47 18.342 -0.502 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.100 0.442 -1.856 1.00 0.00 H new ATOM 0 HG SER A 47 15.593 -0.228 -0.399 1.00 0.00 H new ATOM 594 N TYR A 48 19.225 -2.408 -3.081 1.00 0.00 N ATOM 595 CA TYR A 48 20.346 -3.355 -3.114 1.00 0.00 C ATOM 596 C TYR A 48 21.685 -2.684 -2.857 1.00 0.00 C ATOM 597 O TYR A 48 22.099 -1.782 -3.582 1.00 0.00 O ATOM 598 CB TYR A 48 20.386 -4.125 -4.438 1.00 0.00 C ATOM 599 CG TYR A 48 19.024 -4.333 -5.053 1.00 0.00 C ATOM 600 CD1 TYR A 48 18.742 -3.887 -6.336 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.016 -4.963 -4.340 1.00 0.00 C ATOM 602 CE1 TYR A 48 17.494 -4.071 -6.898 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.763 -5.152 -4.892 1.00 0.00 C ATOM 604 CZ TYR A 48 16.507 -4.704 -6.172 1.00 0.00 C ATOM 605 OH TYR A 48 15.261 -4.890 -6.726 1.00 0.00 O ATOM 0 H TYR A 48 19.317 -1.598 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 48 20.173 -4.061 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.017 -3.585 -5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.853 -5.096 -4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.512 -3.387 -6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.213 -5.312 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.292 -3.721 -7.900 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.989 -5.647 -4.325 1.00 0.00 H new ATOM 0 HH TYR A 48 14.683 -5.352 -6.084 1.00 0.00 H new ATOM 615 N CYS A 49 22.371 -3.168 -1.830 1.00 0.00 N ATOM 616 CA CYS A 49 23.685 -2.654 -1.473 1.00 0.00 C ATOM 617 C CYS A 49 24.719 -3.079 -2.505 1.00 0.00 C ATOM 618 O CYS A 49 25.167 -4.226 -2.513 1.00 0.00 O ATOM 619 CB CYS A 49 24.095 -3.157 -0.088 1.00 0.00 C ATOM 620 SG CYS A 49 25.813 -2.762 0.371 1.00 0.00 S ATOM 0 H CYS A 49 22.036 -3.920 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 49 23.634 -1.565 -1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.424 -2.727 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.960 -4.238 -0.052 1.00 0.00 H new ATOM 625 N GLU A 50 25.084 -2.155 -3.382 1.00 0.00 N ATOM 626 CA GLU A 50 26.051 -2.448 -4.431 1.00 0.00 C ATOM 627 C GLU A 50 27.163 -1.405 -4.467 1.00 0.00 C ATOM 628 O GLU A 50 27.216 -0.509 -3.625 1.00 0.00 O ATOM 629 CB GLU A 50 25.349 -2.519 -5.786 1.00 0.00 C ATOM 630 CG GLU A 50 25.173 -3.937 -6.302 1.00 0.00 C ATOM 631 CD GLU A 50 23.743 -4.239 -6.705 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.036 -3.301 -7.128 1.00 0.00 O ATOM 633 OE2 GLU A 50 23.330 -5.412 -6.595 1.00 0.00 O ATOM 0 H GLU A 50 24.727 -1.200 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 50 26.505 -3.414 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.370 -2.046 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.922 -1.944 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.828 -4.091 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.486 -4.641 -5.531 1.00 0.00 H new ATOM 640 N LEU A 51 28.056 -1.538 -5.442 1.00 0.00 N ATOM 641 CA LEU A 51 29.183 -0.625 -5.578 1.00 0.00 C ATOM 642 C LEU A 51 28.785 0.644 -6.318 1.00 0.00 C ATOM 643 O LEU A 51 27.812 0.660 -7.072 1.00 0.00 O ATOM 644 CB LEU A 51 30.334 -1.312 -6.312 1.00 0.00 C ATOM 645 CG LEU A 51 31.359 -1.985 -5.403 1.00 0.00 C ATOM 646 CD1 LEU A 51 32.188 -2.992 -6.185 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.254 -0.944 -4.748 1.00 0.00 C ATOM 0 H LEU A 51 28.020 -2.271 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 51 29.507 -0.347 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.921 -2.061 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 51 30.846 -0.574 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 51 30.825 -2.520 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.913 -3.461 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 51 31.533 -3.756 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 51 32.713 -2.482 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.979 -1.441 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.780 -0.380 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.645 -0.264 -4.152 1.00 0.00 H new ATOM 659 N GLY A 52 29.559 1.703 -6.106 1.00 0.00 N ATOM 660 CA GLY A 52 29.283 2.968 -6.755 1.00 0.00 C ATOM 661 C GLY A 52 29.841 3.035 -8.162 1.00 0.00 C ATOM 662 O GLY A 52 30.077 2.005 -8.794 1.00 0.00 O ATOM 0 H GLY A 52 30.375 1.706 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.205 3.128 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.708 3.777 -6.161 1.00 0.00 H new ATOM 666 N SER A 53 30.051 4.251 -8.654 1.00 0.00 N ATOM 667 CA SER A 53 30.582 4.452 -9.996 1.00 0.00 C ATOM 668 C SER A 53 32.105 4.358 -10.001 1.00 0.00 C ATOM 669 O SER A 53 32.705 3.914 -10.979 1.00 0.00 O ATOM 670 CB SER A 53 30.143 5.812 -10.541 1.00 0.00 C ATOM 671 OG SER A 53 28.941 5.700 -11.284 1.00 0.00 O ATOM 0 H SER A 53 29.861 5.113 -8.143 1.00 0.00 H new ATOM 0 HA SER A 53 30.186 3.664 -10.637 1.00 0.00 H new ATOM 0 HB2 SER A 53 30.000 6.509 -9.715 1.00 0.00 H new ATOM 0 HB3 SER A 53 30.929 6.224 -11.174 1.00 0.00 H new ATOM 0 HG SER A 53 28.681 6.583 -11.620 1.00 0.00 H new ATOM 677 N THR A 54 32.723 4.779 -8.902 1.00 0.00 N ATOM 678 CA THR A 54 34.176 4.741 -8.782 1.00 0.00 C ATOM 679 C THR A 54 34.616 3.656 -7.805 1.00 0.00 C ATOM 680 O THR A 54 35.698 3.732 -7.223 1.00 0.00 O ATOM 681 CB THR A 54 34.705 6.101 -8.320 1.00 0.00 C ATOM 682 OG1 THR A 54 33.998 6.552 -7.178 1.00 0.00 O ATOM 683 CG2 THR A 54 34.600 7.176 -9.379 1.00 0.00 C ATOM 0 H THR A 54 32.241 5.150 -8.083 1.00 0.00 H new ATOM 0 HA THR A 54 34.589 4.509 -9.764 1.00 0.00 H new ATOM 0 HB THR A 54 35.759 5.939 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 54 34.352 7.422 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 54 34.992 8.114 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 54 35.177 6.881 -10.256 1.00 0.00 H new ATOM 0 HG23 THR A 54 33.555 7.309 -9.660 1.00 0.00 H new ATOM 691 N GLY A 55 33.770 2.646 -7.630 1.00 0.00 N ATOM 692 CA GLY A 55 34.092 1.560 -6.723 1.00 0.00 C ATOM 693 C GLY A 55 33.735 1.878 -5.285 1.00 0.00 C ATOM 694 O GLY A 55 34.329 1.331 -4.355 1.00 0.00 O ATOM 0 H GLY A 55 32.868 2.560 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 55 33.561 0.661 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.157 1.340 -6.789 1.00 0.00 H new ATOM 698 N SER A 56 32.760 2.762 -5.100 1.00 0.00 N ATOM 699 CA SER A 56 32.324 3.151 -3.765 1.00 0.00 C ATOM 700 C SER A 56 31.149 2.295 -3.305 1.00 0.00 C ATOM 701 O SER A 56 30.861 1.252 -3.891 1.00 0.00 O ATOM 702 CB SER A 56 31.928 4.629 -3.746 1.00 0.00 C ATOM 703 OG SER A 56 32.583 5.320 -2.697 1.00 0.00 O ATOM 0 H SER A 56 32.257 3.222 -5.859 1.00 0.00 H new ATOM 0 HA SER A 56 33.156 2.994 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.181 5.089 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.848 4.718 -3.625 1.00 0.00 H new ATOM 0 HG SER A 56 32.314 6.262 -2.708 1.00 0.00 H new ATOM 709 N MET A 57 30.471 2.746 -2.253 1.00 0.00 N ATOM 710 CA MET A 57 29.323 2.026 -1.718 1.00 0.00 C ATOM 711 C MET A 57 28.031 2.787 -1.994 1.00 0.00 C ATOM 712 O MET A 57 27.931 3.982 -1.718 1.00 0.00 O ATOM 713 CB MET A 57 29.486 1.808 -0.212 1.00 0.00 C ATOM 714 CG MET A 57 30.806 1.158 0.170 1.00 0.00 C ATOM 715 SD MET A 57 30.725 -0.643 0.151 1.00 0.00 S ATOM 716 CE MET A 57 32.460 -1.062 0.304 1.00 0.00 C ATOM 0 H MET A 57 30.698 3.607 -1.755 1.00 0.00 H new ATOM 0 HA MET A 57 29.269 1.057 -2.214 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.403 2.768 0.297 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.667 1.185 0.147 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.583 1.490 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.097 1.494 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 57 32.574 -2.146 0.307 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.011 -0.642 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.852 -0.653 1.235 1.00 0.00 H new ATOM 726 N VAL A 58 27.045 2.087 -2.543 1.00 0.00 N ATOM 727 CA VAL A 58 25.760 2.695 -2.859 1.00 0.00 C ATOM 728 C VAL A 58 24.616 1.722 -2.603 1.00 0.00 C ATOM 729 O VAL A 58 24.837 0.571 -2.228 1.00 0.00 O ATOM 730 CB VAL A 58 25.703 3.159 -4.323 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.720 4.261 -4.577 1.00 0.00 C ATOM 732 CG2 VAL A 58 25.932 1.985 -5.256 1.00 0.00 C ATOM 0 H VAL A 58 27.112 1.097 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 58 25.652 3.562 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 58 24.711 3.566 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.663 4.575 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.505 5.111 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.722 3.888 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.889 2.328 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 58 26.911 1.549 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.160 1.233 -5.091 1.00 0.00 H new ATOM 742 N TRP A 59 23.393 2.190 -2.819 1.00 0.00 N ATOM 743 CA TRP A 59 22.211 1.368 -2.601 1.00 0.00 C ATOM 744 C TRP A 59 21.258 1.441 -3.788 1.00 0.00 C ATOM 745 O TRP A 59 20.868 2.528 -4.214 1.00 0.00 O ATOM 746 CB TRP A 59 21.477 1.834 -1.342 1.00 0.00 C ATOM 747 CG TRP A 59 22.078 1.334 -0.066 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.972 1.990 0.731 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.801 0.088 0.579 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.277 1.221 1.828 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.570 0.048 1.757 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.982 -1.003 0.273 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.543 -1.039 2.625 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.958 -2.080 1.136 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.732 -2.090 2.298 1.00 0.00 C ATOM 0 H TRP A 59 23.194 3.136 -3.145 1.00 0.00 H new ATOM 0 HA TRP A 59 22.541 0.336 -2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.465 2.924 -1.323 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.439 1.505 -1.396 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.379 2.970 0.529 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.923 1.480 2.573 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.379 -1.003 -0.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.141 -1.052 3.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.330 -2.929 0.909 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.689 -2.947 2.953 1.00 0.00 H new ATOM 766 N ASN A 60 20.852 0.281 -4.296 1.00 0.00 N ATOM 767 CA ASN A 60 19.886 0.233 -5.385 1.00 0.00 C ATOM 768 C ASN A 60 18.531 0.676 -4.861 1.00 0.00 C ATOM 769 O ASN A 60 18.363 0.784 -3.647 1.00 0.00 O ATOM 770 CB ASN A 60 19.812 -1.164 -5.986 1.00 0.00 C ATOM 771 CG ASN A 60 20.513 -1.239 -7.322 1.00 0.00 C ATOM 772 OD1 ASN A 60 19.980 -1.784 -8.288 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.703 -0.670 -7.391 1.00 0.00 N ATOM 0 H ASN A 60 21.175 -0.631 -3.973 1.00 0.00 H new ATOM 0 HA ASN A 60 20.202 0.908 -6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.263 -1.880 -5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.768 -1.453 -6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.218 -0.671 -8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.106 -0.230 -6.564 1.00 0.00 H new ATOM 780 N PRO A 61 17.584 1.004 -5.771 1.00 0.00 N ATOM 781 CA PRO A 61 16.258 1.522 -5.464 1.00 0.00 C ATOM 782 C PRO A 61 15.835 1.387 -4.014 1.00 0.00 C ATOM 783 O PRO A 61 15.629 0.296 -3.497 1.00 0.00 O ATOM 784 CB PRO A 61 15.395 0.709 -6.398 1.00 0.00 C ATOM 785 CG PRO A 61 16.279 0.428 -7.590 1.00 0.00 C ATOM 786 CD PRO A 61 17.690 0.849 -7.216 1.00 0.00 C ATOM 0 HA PRO A 61 16.192 2.601 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.062 -0.215 -5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.500 1.259 -6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.250 -0.630 -7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.932 0.980 -8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.428 0.096 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.983 1.778 -7.706 1.00 0.00 H new ATOM 794 N GLU A 62 15.698 2.534 -3.377 1.00 0.00 N ATOM 795 CA GLU A 62 15.391 2.595 -1.959 1.00 0.00 C ATOM 796 C GLU A 62 13.944 3.014 -1.689 1.00 0.00 C ATOM 797 O GLU A 62 13.047 2.174 -1.685 1.00 0.00 O ATOM 798 CB GLU A 62 16.369 3.549 -1.276 1.00 0.00 C ATOM 799 CG GLU A 62 17.787 3.027 -1.225 1.00 0.00 C ATOM 800 CD GLU A 62 18.819 4.115 -1.452 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.645 4.909 -2.400 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.799 4.174 -0.680 1.00 0.00 O ATOM 0 H GLU A 62 15.796 3.446 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 62 15.501 1.592 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.361 4.503 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.025 3.743 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.964 2.561 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.911 2.250 -1.980 1.00 0.00 H new ATOM 809 N ALA A 63 13.728 4.306 -1.425 1.00 0.00 N ATOM 810 CA ALA A 63 12.404 4.813 -1.077 1.00 0.00 C ATOM 811 C ALA A 63 11.501 4.979 -2.298 1.00 0.00 C ATOM 812 O ALA A 63 11.671 5.917 -3.077 1.00 0.00 O ATOM 813 CB ALA A 63 12.536 6.142 -0.350 1.00 0.00 C ATOM 0 H ALA A 63 14.457 5.019 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 63 11.936 4.074 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.545 6.516 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.119 6.002 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.039 6.862 -0.996 1.00 0.00 H new ATOM 819 N PRO A 64 10.483 4.110 -2.448 1.00 0.00 N ATOM 820 CA PRO A 64 9.517 4.192 -3.537 1.00 0.00 C ATOM 821 C PRO A 64 8.361 5.123 -3.171 1.00 0.00 C ATOM 822 O PRO A 64 8.512 5.996 -2.316 1.00 0.00 O ATOM 823 CB PRO A 64 9.024 2.740 -3.683 1.00 0.00 C ATOM 824 CG PRO A 64 9.669 1.967 -2.569 1.00 0.00 C ATOM 825 CD PRO A 64 10.166 2.979 -1.578 1.00 0.00 C ATOM 0 HA PRO A 64 9.943 4.594 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.937 2.689 -3.615 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.302 2.330 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.954 1.288 -2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.490 1.357 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.409 3.232 -0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.040 2.624 -1.033 1.00 0.00 H new ATOM 833 N ILE A 65 7.203 4.924 -3.792 1.00 0.00 N ATOM 834 CA ILE A 65 6.036 5.742 -3.487 1.00 0.00 C ATOM 835 C ILE A 65 5.232 5.136 -2.345 1.00 0.00 C ATOM 836 O ILE A 65 5.398 3.967 -2.008 1.00 0.00 O ATOM 837 CB ILE A 65 5.112 5.907 -4.701 1.00 0.00 C ATOM 838 CG1 ILE A 65 5.925 6.012 -5.992 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.228 7.129 -4.527 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.754 7.274 -6.083 1.00 0.00 C ATOM 0 H ILE A 65 7.048 4.210 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 65 6.415 6.722 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 65 4.476 5.024 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.585 5.147 -6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.246 5.971 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.578 7.234 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.620 7.013 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.851 8.018 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.304 7.281 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.099 8.144 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.458 7.308 -5.251 1.00 0.00 H new ATOM 852 N CYS A 66 4.352 5.936 -1.762 1.00 0.00 N ATOM 853 CA CYS A 66 3.513 5.477 -0.663 1.00 0.00 C ATOM 854 C CYS A 66 2.435 6.504 -0.341 1.00 0.00 C ATOM 855 O CYS A 66 2.732 7.671 -0.086 1.00 0.00 O ATOM 856 CB CYS A 66 4.363 5.210 0.576 1.00 0.00 C ATOM 857 SG CYS A 66 4.712 3.447 0.876 1.00 0.00 S ATOM 0 H CYS A 66 4.200 6.908 -2.031 1.00 0.00 H new ATOM 0 HA CYS A 66 3.029 4.550 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.308 5.744 0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.854 5.622 1.448 1.00 0.00 H new ATOM 862 N GLU A 67 1.183 6.063 -0.349 1.00 0.00 N ATOM 863 CA GLU A 67 0.062 6.948 -0.082 1.00 0.00 C ATOM 864 C GLU A 67 -1.121 6.172 0.482 1.00 0.00 C ATOM 865 O GLU A 67 -1.096 4.943 0.545 1.00 0.00 O ATOM 866 CB GLU A 67 -0.351 7.650 -1.373 1.00 0.00 C ATOM 867 CG GLU A 67 -0.163 9.158 -1.338 1.00 0.00 C ATOM 868 CD GLU A 67 -0.872 9.862 -2.478 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.893 9.308 -3.597 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.404 10.969 -2.253 1.00 0.00 O ATOM 0 H GLU A 67 0.921 5.096 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 67 0.371 7.687 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.229 7.240 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.399 7.428 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.536 9.545 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.902 9.388 -1.380 1.00 0.00 H new ATOM 877 N SER A 68 -2.163 6.895 0.873 1.00 0.00 N ATOM 878 CA SER A 68 -3.365 6.265 1.396 1.00 0.00 C ATOM 879 C SER A 68 -4.256 5.799 0.256 1.00 0.00 C ATOM 880 O SER A 68 -5.046 6.570 -0.290 1.00 0.00 O ATOM 881 CB SER A 68 -4.132 7.226 2.299 1.00 0.00 C ATOM 882 OG SER A 68 -4.726 8.272 1.548 1.00 0.00 O ATOM 0 H SER A 68 -2.199 7.914 0.838 1.00 0.00 H new ATOM 0 HA SER A 68 -3.065 5.400 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.904 6.681 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.456 7.648 3.043 1.00 0.00 H new ATOM 0 HG SER A 68 -5.326 7.891 0.874 1.00 0.00 H new ATOM 888 N VAL A 69 -4.104 4.535 -0.109 1.00 0.00 N ATOM 889 CA VAL A 69 -4.867 3.936 -1.172 1.00 0.00 C ATOM 890 C VAL A 69 -6.352 4.255 -1.033 1.00 0.00 C ATOM 891 O VAL A 69 -7.056 3.681 -0.203 1.00 0.00 O ATOM 892 CB VAL A 69 -4.632 2.424 -1.169 1.00 0.00 C ATOM 893 CG1 VAL A 69 -4.948 1.837 0.194 1.00 0.00 C ATOM 894 CG2 VAL A 69 -5.430 1.761 -2.256 1.00 0.00 C ATOM 0 H VAL A 69 -3.440 3.899 0.333 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.535 4.351 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.578 2.235 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.775 0.761 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.305 2.295 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.991 2.032 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.249 0.686 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.491 1.953 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.130 2.162 -3.224 1.00 0.00 H new ATOM 904 N LYS A 70 -6.800 5.201 -1.845 1.00 0.00 N ATOM 905 CA LYS A 70 -8.176 5.678 -1.807 1.00 0.00 C ATOM 906 C LYS A 70 -9.168 4.644 -2.334 1.00 0.00 C ATOM 907 O LYS A 70 -8.816 3.768 -3.124 1.00 0.00 O ATOM 908 CB LYS A 70 -8.288 6.960 -2.630 1.00 0.00 C ATOM 909 CG LYS A 70 -8.042 8.223 -1.825 1.00 0.00 C ATOM 910 CD LYS A 70 -9.341 8.789 -1.286 1.00 0.00 C ATOM 911 CE LYS A 70 -9.097 9.820 -0.198 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.724 11.147 -0.762 1.00 0.00 N ATOM 0 H LYS A 70 -6.221 5.660 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.430 5.868 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.573 6.918 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.282 7.011 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.366 8.005 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.550 8.967 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.904 9.245 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.954 7.979 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.995 9.924 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.303 9.470 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.566 11.822 0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.853 11.054 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.492 11.494 -1.371 1.00 0.00 H new ATOM 926 N CYS A 71 -10.423 4.784 -1.909 1.00 0.00 N ATOM 927 CA CYS A 71 -11.502 3.901 -2.343 1.00 0.00 C ATOM 928 C CYS A 71 -12.707 4.727 -2.769 1.00 0.00 C ATOM 929 O CYS A 71 -13.312 5.427 -1.958 1.00 0.00 O ATOM 930 CB CYS A 71 -11.918 2.919 -1.235 1.00 0.00 C ATOM 931 SG CYS A 71 -11.037 3.098 0.356 1.00 0.00 S ATOM 0 H CYS A 71 -10.719 5.510 -1.257 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.132 3.319 -3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.986 3.037 -1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.767 1.903 -1.600 1.00 0.00 H new ATOM 936 N GLN A 72 -13.044 4.650 -4.047 1.00 0.00 N ATOM 937 CA GLN A 72 -14.159 5.410 -4.586 1.00 0.00 C ATOM 938 C GLN A 72 -15.494 4.867 -4.085 1.00 0.00 C ATOM 939 O GLN A 72 -15.545 4.119 -3.108 1.00 0.00 O ATOM 940 CB GLN A 72 -14.110 5.386 -6.114 1.00 0.00 C ATOM 941 CG GLN A 72 -14.465 4.038 -6.722 1.00 0.00 C ATOM 942 CD GLN A 72 -13.249 3.157 -6.930 1.00 0.00 C ATOM 943 OE1 GLN A 72 -12.392 3.449 -7.764 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.168 2.071 -6.170 1.00 0.00 N ATOM 0 H GLN A 72 -12.560 4.068 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.072 6.440 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.795 6.140 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.109 5.668 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.174 3.525 -6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.964 4.194 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.902 1.868 -5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.372 1.440 -6.265 1.00 0.00 H new ATOM 953 N SER A 73 -16.573 5.252 -4.760 1.00 0.00 N ATOM 954 CA SER A 73 -17.914 4.817 -4.385 1.00 0.00 C ATOM 955 C SER A 73 -17.955 3.310 -4.125 1.00 0.00 C ATOM 956 O SER A 73 -17.334 2.533 -4.850 1.00 0.00 O ATOM 957 CB SER A 73 -18.904 5.185 -5.492 1.00 0.00 C ATOM 958 OG SER A 73 -20.007 4.298 -5.513 1.00 0.00 O ATOM 0 H SER A 73 -16.544 5.867 -5.573 1.00 0.00 H new ATOM 0 HA SER A 73 -18.193 5.325 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.258 6.205 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.398 5.162 -6.457 1.00 0.00 H new ATOM 0 HG SER A 73 -20.623 4.559 -6.229 1.00 0.00 H new ATOM 964 N PRO A 74 -18.695 2.872 -3.088 1.00 0.00 N ATOM 965 CA PRO A 74 -18.790 1.451 -2.737 1.00 0.00 C ATOM 966 C PRO A 74 -19.432 0.612 -3.854 1.00 0.00 C ATOM 967 O PRO A 74 -20.338 1.072 -4.548 1.00 0.00 O ATOM 968 CB PRO A 74 -19.652 1.431 -1.475 1.00 0.00 C ATOM 969 CG PRO A 74 -19.632 2.831 -0.960 1.00 0.00 C ATOM 970 CD PRO A 74 -19.459 3.719 -2.158 1.00 0.00 C ATOM 0 HA PRO A 74 -17.805 1.010 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.669 1.109 -1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.253 0.735 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.557 3.065 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.817 2.972 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.418 4.019 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.920 4.633 -1.909 1.00 0.00 H new ATOM 978 N PRO A 75 -18.987 -0.650 -4.008 1.00 0.00 N ATOM 979 CA PRO A 75 -19.400 -1.554 -5.080 1.00 0.00 C ATOM 980 C PRO A 75 -20.072 -2.837 -4.588 1.00 0.00 C ATOM 981 O PRO A 75 -20.473 -2.937 -3.429 1.00 0.00 O ATOM 982 CB PRO A 75 -18.013 -1.912 -5.595 1.00 0.00 C ATOM 983 CG PRO A 75 -17.256 -2.176 -4.324 1.00 0.00 C ATOM 984 CD PRO A 75 -17.867 -1.256 -3.280 1.00 0.00 C ATOM 0 HA PRO A 75 -20.124 -1.117 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -18.034 -2.787 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -17.571 -1.099 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.345 -3.220 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.193 -1.971 -4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.204 -1.806 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.155 -0.507 -2.933 1.00 0.00 H new ATOM 992 N SER A 76 -20.073 -3.851 -5.469 1.00 0.00 N ATOM 993 CA SER A 76 -20.495 -5.222 -5.144 1.00 0.00 C ATOM 994 C SER A 76 -21.944 -5.548 -5.497 1.00 0.00 C ATOM 995 O SER A 76 -22.194 -6.451 -6.296 1.00 0.00 O ATOM 996 CB SER A 76 -20.237 -5.550 -3.669 1.00 0.00 C ATOM 997 OG SER A 76 -21.356 -5.222 -2.866 1.00 0.00 O ATOM 0 H SER A 76 -19.777 -3.739 -6.439 1.00 0.00 H new ATOM 0 HA SER A 76 -19.877 -5.853 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.010 -6.611 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 76 -19.363 -5.001 -3.320 1.00 0.00 H new ATOM 0 HG SER A 76 -21.373 -4.255 -2.707 1.00 0.00 H new ATOM 1003 N ILE A 77 -22.898 -4.913 -4.830 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.298 -5.301 -4.997 1.00 0.00 C ATOM 1005 C ILE A 77 -24.911 -4.815 -6.302 1.00 0.00 C ATOM 1006 O ILE A 77 -24.298 -4.090 -7.086 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.201 -4.880 -3.788 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.016 -3.596 -4.046 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.369 -4.723 -2.531 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -26.866 -3.185 -2.867 1.00 0.00 C ATOM 0 H ILE A 77 -22.738 -4.143 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.270 -6.390 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.922 -5.686 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.333 -2.784 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.658 -3.749 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.014 -4.430 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.883 -5.670 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.611 -3.956 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.414 -2.275 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.572 -3.982 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.226 -3.001 -2.004 1.00 0.00 H new ATOM 1022 N SER A 78 -26.149 -5.237 -6.487 1.00 0.00 N ATOM 1023 CA SER A 78 -26.964 -4.842 -7.621 1.00 0.00 C ATOM 1024 C SER A 78 -28.387 -4.603 -7.135 1.00 0.00 C ATOM 1025 O SER A 78 -28.860 -5.289 -6.229 1.00 0.00 O ATOM 1026 CB SER A 78 -26.942 -5.923 -8.704 1.00 0.00 C ATOM 1027 OG SER A 78 -25.641 -6.461 -8.863 1.00 0.00 O ATOM 0 H SER A 78 -26.623 -5.872 -5.845 1.00 0.00 H new ATOM 0 HA SER A 78 -26.565 -3.927 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.638 -6.719 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 78 -27.282 -5.501 -9.650 1.00 0.00 H new ATOM 0 HG SER A 78 -25.655 -7.150 -9.560 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.058 -3.610 -7.702 1.00 0.00 N ATOM 1034 CA ASN A 79 -30.413 -3.264 -7.287 1.00 0.00 C ATOM 1035 C ASN A 79 -30.403 -2.486 -5.976 1.00 0.00 C ATOM 1036 O ASN A 79 -31.405 -2.440 -5.263 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.282 -4.516 -7.137 1.00 0.00 C ATOM 1038 CG ASN A 79 -30.931 -5.609 -8.122 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -31.043 -6.795 -7.813 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -30.494 -5.220 -9.308 1.00 0.00 N ATOM 0 H ASN A 79 -28.686 -3.028 -8.452 1.00 0.00 H new ATOM 0 HA ASN A 79 -30.839 -2.633 -8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.178 -4.903 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.329 -4.241 -7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -30.234 -5.914 -10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -30.417 -4.226 -9.522 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.278 -1.849 -5.681 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.171 -1.059 -4.474 1.00 0.00 C ATOM 1049 C GLY A 80 -28.252 0.134 -4.640 1.00 0.00 C ATOM 1050 O GLY A 80 -27.971 0.565 -5.758 1.00 0.00 O ATOM 0 H GLY A 80 -28.437 -1.866 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.162 -0.712 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -28.802 -1.688 -3.664 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.796 0.671 -3.518 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.908 1.819 -3.513 1.00 0.00 C ATOM 1056 C ARG A 81 -26.201 1.918 -2.173 1.00 0.00 C ATOM 1057 O ARG A 81 -26.332 1.033 -1.329 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.680 3.112 -3.804 1.00 0.00 C ATOM 1059 CG ARG A 81 -29.092 3.134 -3.241 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.981 4.097 -4.010 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.738 4.976 -3.122 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.251 6.100 -2.603 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.006 6.843 -1.805 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -29.011 6.481 -2.878 1.00 0.00 N ATOM 0 H ARG A 81 -28.032 0.323 -2.589 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.166 1.685 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.124 3.955 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.729 3.258 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.518 2.131 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -29.062 3.424 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.367 4.700 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.672 3.531 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.695 4.713 -2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -31.960 6.553 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -30.633 7.705 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -28.426 5.912 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -28.642 7.344 -2.478 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.454 2.990 -1.984 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.695 3.172 -0.754 1.00 0.00 C ATOM 1080 C HIS A 82 -24.822 4.589 -0.212 1.00 0.00 C ATOM 1081 O HIS A 82 -24.996 5.546 -0.967 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.223 2.838 -0.992 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.744 3.196 -2.365 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.691 4.494 -2.830 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.338 2.413 -3.393 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.255 4.495 -4.077 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.032 3.246 -4.440 1.00 0.00 N ATOM 0 H HIS A 82 -25.355 3.746 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 82 -25.110 2.493 -0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.616 3.364 -0.255 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -23.070 1.771 -0.829 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.268 1.335 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.106 5.369 -4.694 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.687 2.948 -5.352 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.723 4.709 1.108 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.805 6.003 1.771 1.00 0.00 C ATOM 1098 C ASN A 83 -23.489 6.770 1.597 1.00 0.00 C ATOM 1099 O ASN A 83 -22.835 6.645 0.562 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.146 5.806 3.252 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.399 4.977 3.447 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.101 4.657 2.488 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.688 4.624 4.694 1.00 0.00 N ATOM 0 H ASN A 83 -24.585 3.921 1.741 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.598 6.595 1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.309 5.320 3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.279 6.779 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.520 4.066 4.886 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.078 4.911 5.460 1.00 0.00 H new ATOM 1110 N GLY A 84 -23.094 7.559 2.597 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.877 8.335 2.473 1.00 0.00 C ATOM 1112 C GLY A 84 -22.102 9.583 1.646 1.00 0.00 C ATOM 1113 O GLY A 84 -22.072 10.698 2.166 1.00 0.00 O ATOM 0 H GLY A 84 -23.592 7.671 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.518 8.613 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.100 7.726 2.012 1.00 0.00 H new ATOM 1117 N TYR A 85 -22.394 9.374 0.365 1.00 0.00 N ATOM 1118 CA TYR A 85 -22.652 10.437 -0.566 1.00 0.00 C ATOM 1119 C TYR A 85 -21.401 11.252 -0.781 1.00 0.00 C ATOM 1120 O TYR A 85 -21.455 12.439 -1.104 1.00 0.00 O ATOM 1121 CB TYR A 85 -23.797 11.290 -0.068 1.00 0.00 C ATOM 1122 CG TYR A 85 -25.153 10.709 -0.390 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -25.405 9.359 -0.190 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -26.175 11.500 -0.900 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -26.637 8.812 -0.484 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -27.412 10.960 -1.196 1.00 0.00 C ATOM 1127 CZ TYR A 85 -27.638 9.615 -0.987 1.00 0.00 C ATOM 1128 OH TYR A 85 -28.868 9.073 -1.280 1.00 0.00 O ATOM 0 H TYR A 85 -22.456 8.444 -0.048 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.942 10.017 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -23.708 11.413 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -23.720 12.284 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -24.623 8.726 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -26.000 12.552 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -26.816 7.760 -0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -28.198 11.588 -1.589 1.00 0.00 H new ATOM 0 HH TYR A 85 -29.460 9.774 -1.624 1.00 0.00 H new ATOM 1138 N GLU A 86 -20.268 10.585 -0.623 1.00 0.00 N ATOM 1139 CA GLU A 86 -18.993 11.213 -0.821 1.00 0.00 C ATOM 1140 C GLU A 86 -18.466 10.902 -2.212 1.00 0.00 C ATOM 1141 O GLU A 86 -19.161 10.290 -3.024 1.00 0.00 O ATOM 1142 CB GLU A 86 -18.004 10.730 0.237 1.00 0.00 C ATOM 1143 CG GLU A 86 -17.888 11.664 1.427 1.00 0.00 C ATOM 1144 CD GLU A 86 -16.479 12.183 1.629 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -16.282 13.414 1.550 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -15.570 11.359 1.865 1.00 0.00 O ATOM 0 H GLU A 86 -20.217 9.602 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.112 12.292 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.311 9.744 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.022 10.614 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.565 12.507 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.210 11.141 2.327 1.00 0.00 H new ATOM 1153 N ASP A 87 -17.236 11.307 -2.483 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.625 11.033 -3.773 1.00 0.00 C ATOM 1155 C ASP A 87 -15.513 10.007 -3.632 1.00 0.00 C ATOM 1156 O ASP A 87 -15.177 9.304 -4.585 1.00 0.00 O ATOM 1157 CB ASP A 87 -16.074 12.319 -4.395 1.00 0.00 C ATOM 1158 CG ASP A 87 -17.169 13.289 -4.792 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -17.869 13.018 -5.791 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -17.325 14.321 -4.106 1.00 0.00 O ATOM 0 H ASP A 87 -16.644 11.823 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.394 10.628 -4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.404 12.804 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -15.480 12.068 -5.274 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.959 9.910 -2.432 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.885 8.976 -2.170 1.00 0.00 C ATOM 1167 C PHE A 88 -13.885 8.532 -0.714 1.00 0.00 C ATOM 1168 O PHE A 88 -14.508 9.163 0.140 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.550 9.618 -2.519 1.00 0.00 C ATOM 1170 CG PHE A 88 -12.120 9.357 -3.927 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.372 8.236 -4.229 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -12.479 10.219 -4.948 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.978 7.981 -5.525 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -12.089 9.971 -6.248 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.336 8.849 -6.539 1.00 0.00 C ATOM 0 H PHE A 88 -15.239 10.469 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 88 -14.039 8.094 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.620 10.694 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.786 9.245 -1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.093 7.552 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.070 11.095 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.390 7.103 -5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.372 10.652 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.029 8.651 -7.555 1.00 0.00 H new ATOM 1185 N TYR A 89 -13.182 7.442 -0.442 1.00 0.00 N ATOM 1186 CA TYR A 89 -13.090 6.906 0.907 1.00 0.00 C ATOM 1187 C TYR A 89 -11.678 6.403 1.180 1.00 0.00 C ATOM 1188 O TYR A 89 -10.909 6.158 0.251 1.00 0.00 O ATOM 1189 CB TYR A 89 -14.113 5.784 1.097 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.543 6.238 0.898 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -16.041 6.511 -0.373 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -16.389 6.413 1.984 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -17.350 6.926 -0.553 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -17.696 6.829 1.812 1.00 0.00 C ATOM 1195 CZ TYR A 89 -18.170 7.085 0.543 1.00 0.00 C ATOM 1196 OH TYR A 89 -19.470 7.501 0.369 1.00 0.00 O ATOM 0 H TYR A 89 -12.665 6.910 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 89 -13.313 7.700 1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.894 4.979 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -14.007 5.371 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.396 6.397 -1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -16.020 6.221 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.726 7.124 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -18.343 6.953 2.668 1.00 0.00 H new ATOM 0 HH TYR A 89 -20.070 6.727 0.411 1.00 0.00 H new ATOM 1206 N THR A 90 -11.323 6.289 2.455 1.00 0.00 N ATOM 1207 CA THR A 90 -9.976 5.869 2.827 1.00 0.00 C ATOM 1208 C THR A 90 -9.988 4.616 3.694 1.00 0.00 C ATOM 1209 O THR A 90 -11.047 4.098 4.049 1.00 0.00 O ATOM 1210 CB THR A 90 -9.260 7.000 3.567 1.00 0.00 C ATOM 1211 OG1 THR A 90 -10.124 7.605 4.512 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.752 8.086 2.646 1.00 0.00 C ATOM 0 H THR A 90 -11.943 6.479 3.243 1.00 0.00 H new ATOM 0 HA THR A 90 -9.442 5.633 1.907 1.00 0.00 H new ATOM 0 HB THR A 90 -8.406 6.533 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.648 8.325 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.254 8.858 3.233 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.045 7.659 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.590 8.526 2.105 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.793 4.137 4.028 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.642 2.948 4.851 1.00 0.00 C ATOM 1222 C ASP A 91 -9.230 3.167 6.232 1.00 0.00 C ATOM 1223 O ASP A 91 -8.584 3.722 7.121 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.168 2.560 4.969 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.563 2.164 3.637 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.670 2.956 2.677 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.981 1.062 3.553 1.00 0.00 O ATOM 0 H ASP A 91 -7.911 4.560 3.737 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.184 2.135 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.607 3.398 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.069 1.731 5.670 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.462 2.725 6.395 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.135 2.853 7.670 1.00 0.00 C ATOM 1234 C GLY A 92 -12.479 3.550 7.566 1.00 0.00 C ATOM 1235 O GLY A 92 -13.059 3.938 8.580 1.00 0.00 O ATOM 0 H GLY A 92 -11.014 2.276 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.279 1.862 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.497 3.408 8.357 1.00 0.00 H new ATOM 1239 N SER A 93 -12.980 3.715 6.343 1.00 0.00 N ATOM 1240 CA SER A 93 -14.273 4.357 6.138 1.00 0.00 C ATOM 1241 C SER A 93 -15.381 3.315 6.084 1.00 0.00 C ATOM 1242 O SER A 93 -15.135 2.152 5.772 1.00 0.00 O ATOM 1243 CB SER A 93 -14.269 5.183 4.848 1.00 0.00 C ATOM 1244 OG SER A 93 -12.954 5.577 4.499 1.00 0.00 O ATOM 0 H SER A 93 -12.513 3.415 5.487 1.00 0.00 H new ATOM 0 HA SER A 93 -14.457 5.025 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.704 4.599 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.895 6.066 4.976 1.00 0.00 H new ATOM 0 HG SER A 93 -12.458 4.801 4.164 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.599 3.732 6.402 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.736 2.825 6.387 1.00 0.00 C ATOM 1252 C VAL A 94 -18.912 3.434 5.629 1.00 0.00 C ATOM 1253 O VAL A 94 -19.009 4.653 5.485 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.182 2.449 7.817 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -17.064 1.721 8.544 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.446 1.598 7.793 1.00 0.00 C ATOM 0 H VAL A 94 -16.824 4.689 6.672 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.413 1.918 5.876 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.408 3.370 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.393 1.462 9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.809 0.811 8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.188 2.366 8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.736 1.349 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.251 2.155 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.257 0.681 7.235 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.802 2.573 5.151 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.975 3.018 4.409 1.00 0.00 C ATOM 1268 C VAL A 95 -22.112 2.013 4.532 1.00 0.00 C ATOM 1269 O VAL A 95 -21.882 0.817 4.711 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.652 3.227 2.919 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.853 3.793 2.180 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.443 4.134 2.760 1.00 0.00 C ATOM 0 H VAL A 95 -19.734 1.562 5.264 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.282 3.970 4.843 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.414 2.258 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.601 3.932 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.691 3.101 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -22.130 4.752 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.228 4.271 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.652 5.102 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.581 3.680 3.249 1.00 0.00 H new ATOM 1282 N THR A 96 -23.340 2.505 4.434 1.00 0.00 N ATOM 1283 CA THR A 96 -24.513 1.654 4.532 1.00 0.00 C ATOM 1284 C THR A 96 -25.226 1.560 3.190 1.00 0.00 C ATOM 1285 O THR A 96 -25.622 2.569 2.609 1.00 0.00 O ATOM 1286 CB THR A 96 -25.464 2.191 5.599 1.00 0.00 C ATOM 1287 OG1 THR A 96 -24.985 3.415 6.128 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.660 1.236 6.754 1.00 0.00 C ATOM 0 H THR A 96 -23.547 3.493 4.286 1.00 0.00 H new ATOM 0 HA THR A 96 -24.189 0.653 4.818 1.00 0.00 H new ATOM 0 HB THR A 96 -26.420 2.329 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.517 3.663 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.346 1.676 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.075 0.298 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.700 1.044 7.234 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.376 0.340 2.698 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.014 0.104 1.412 1.00 0.00 C ATOM 1298 C TYR A 97 -27.537 0.126 1.526 1.00 0.00 C ATOM 1299 O TYR A 97 -28.096 -0.117 2.595 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.550 -1.235 0.850 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.242 -1.163 0.095 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.104 -0.628 0.686 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.138 -1.652 -1.198 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.904 -0.572 0.001 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.939 -1.606 -1.885 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.827 -1.067 -1.281 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.633 -1.023 -1.962 1.00 0.00 O ATOM 0 H TYR A 97 -25.063 -0.507 3.173 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.723 0.908 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.446 -1.946 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.321 -1.626 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.157 -0.250 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.008 -2.076 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.031 -0.142 0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.876 -1.992 -2.892 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.416 -1.917 -2.299 1.00 0.00 H new ATOM 1317 N SER A 98 -28.206 0.413 0.414 1.00 0.00 N ATOM 1318 CA SER A 98 -29.669 0.465 0.397 1.00 0.00 C ATOM 1319 C SER A 98 -30.227 0.013 -0.951 1.00 0.00 C ATOM 1320 O SER A 98 -29.754 0.438 -1.998 1.00 0.00 O ATOM 1321 CB SER A 98 -30.149 1.884 0.715 1.00 0.00 C ATOM 1322 OG SER A 98 -30.420 2.618 -0.468 1.00 0.00 O ATOM 0 H SER A 98 -27.764 0.612 -0.484 1.00 0.00 H new ATOM 0 HA SER A 98 -30.038 -0.220 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 98 -31.048 1.836 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.391 2.403 1.301 1.00 0.00 H new ATOM 0 HG SER A 98 -30.726 3.519 -0.231 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.255 -0.829 -0.919 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.868 -1.330 -2.145 1.00 0.00 C ATOM 1330 C CYS A 99 -32.673 -0.243 -2.851 1.00 0.00 C ATOM 1331 O CYS A 99 -33.237 0.641 -2.207 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.779 -2.514 -1.833 1.00 0.00 C ATOM 1333 SG CYS A 99 -31.905 -3.960 -1.150 1.00 0.00 S ATOM 0 H CYS A 99 -31.680 -1.178 -0.060 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.064 -1.649 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.542 -2.195 -1.123 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.296 -2.812 -2.745 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.745 -0.332 -4.178 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.517 0.636 -4.960 1.00 0.00 C ATOM 1340 C ASN A 100 -34.914 0.103 -5.261 1.00 0.00 C ATOM 1341 O ASN A 100 -35.878 0.430 -4.570 1.00 0.00 O ATOM 1342 CB ASN A 100 -32.814 1.000 -6.271 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.941 -0.098 -6.813 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -32.417 -1.188 -7.131 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -30.667 0.199 -6.960 1.00 0.00 N ATOM 0 H ASN A 100 -32.284 -1.055 -4.730 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.599 1.538 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.566 1.256 -7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -32.206 1.891 -6.112 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.025 -0.489 -7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -30.322 1.117 -6.681 1.00 0.00 H new ATOM 1352 N SER A 101 -35.007 -0.728 -6.296 1.00 0.00 N ATOM 1353 CA SER A 101 -36.282 -1.313 -6.721 1.00 0.00 C ATOM 1354 C SER A 101 -37.149 -1.718 -5.529 1.00 0.00 C ATOM 1355 O SER A 101 -38.377 -1.690 -5.606 1.00 0.00 O ATOM 1356 CB SER A 101 -36.030 -2.531 -7.611 1.00 0.00 C ATOM 1357 OG SER A 101 -36.764 -2.441 -8.820 1.00 0.00 O ATOM 0 H SER A 101 -34.209 -1.015 -6.862 1.00 0.00 H new ATOM 0 HA SER A 101 -36.821 -0.550 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 101 -34.966 -2.609 -7.833 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.312 -3.439 -7.078 1.00 0.00 H new ATOM 0 HG SER A 101 -36.584 -3.231 -9.372 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.504 -2.101 -4.432 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.235 -2.497 -3.242 1.00 0.00 C ATOM 1365 C GLY A 102 -36.802 -3.849 -2.705 1.00 0.00 C ATOM 1366 O GLY A 102 -37.610 -4.586 -2.138 1.00 0.00 O ATOM 0 H GLY A 102 -35.489 -2.144 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -37.095 -1.743 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.301 -2.526 -3.469 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.522 -4.169 -2.870 1.00 0.00 N ATOM 1371 CA TYR A 103 -34.978 -5.430 -2.395 1.00 0.00 C ATOM 1372 C TYR A 103 -34.691 -5.366 -0.898 1.00 0.00 C ATOM 1373 O TYR A 103 -35.070 -4.407 -0.225 1.00 0.00 O ATOM 1374 CB TYR A 103 -33.700 -5.755 -3.171 1.00 0.00 C ATOM 1375 CG TYR A 103 -33.963 -6.309 -4.551 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.270 -7.652 -4.732 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -33.917 -5.489 -5.672 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -34.518 -8.163 -5.992 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -34.162 -5.993 -6.935 1.00 0.00 C ATOM 1380 CZ TYR A 103 -34.462 -7.330 -7.090 1.00 0.00 C ATOM 1381 OH TYR A 103 -34.707 -7.836 -8.346 1.00 0.00 O ATOM 0 H TYR A 103 -34.841 -3.566 -3.332 1.00 0.00 H new ATOM 0 HA TYR A 103 -35.712 -6.219 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.097 -4.851 -3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.112 -6.476 -2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.316 -8.307 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -33.686 -4.441 -5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -34.754 -9.209 -6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -34.119 -5.343 -7.796 1.00 0.00 H new ATOM 0 HH TYR A 103 -34.629 -7.118 -9.009 1.00 0.00 H new ATOM 1391 N SER A 104 -34.031 -6.395 -0.378 1.00 0.00 N ATOM 1392 CA SER A 104 -33.699 -6.456 1.036 1.00 0.00 C ATOM 1393 C SER A 104 -32.190 -6.512 1.233 1.00 0.00 C ATOM 1394 O SER A 104 -31.536 -7.477 0.841 1.00 0.00 O ATOM 1395 CB SER A 104 -34.355 -7.676 1.683 1.00 0.00 C ATOM 1396 OG SER A 104 -35.734 -7.743 1.364 1.00 0.00 O ATOM 0 H SER A 104 -33.715 -7.200 -0.919 1.00 0.00 H new ATOM 0 HA SER A 104 -34.079 -5.553 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 104 -33.856 -8.584 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.231 -7.629 2.765 1.00 0.00 H new ATOM 0 HG SER A 104 -35.845 -8.140 0.475 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.648 -5.465 1.836 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.215 -5.378 2.094 1.00 0.00 C ATOM 1404 C LEU A 105 -29.707 -6.638 2.792 1.00 0.00 C ATOM 1405 O LEU A 105 -29.898 -6.813 3.995 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.915 -4.148 2.964 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.041 -3.057 2.326 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.345 -2.899 0.843 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.565 -3.356 2.547 1.00 0.00 C ATOM 0 H LEU A 105 -32.181 -4.658 2.159 1.00 0.00 H new ATOM 0 HA LEU A 105 -29.701 -5.283 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.863 -3.698 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.426 -4.487 3.878 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.278 -2.111 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.710 -2.120 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.152 -3.841 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.392 -2.623 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.962 -2.572 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.358 -3.394 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.317 -4.316 2.095 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.050 -7.505 2.031 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.498 -8.736 2.572 1.00 0.00 C ATOM 1423 C ILE A 106 -27.027 -8.551 2.931 1.00 0.00 C ATOM 1424 O ILE A 106 -26.336 -7.739 2.323 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.628 -9.889 1.556 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.096 -10.127 1.195 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -28.006 -11.160 2.109 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -31.015 -10.201 2.394 1.00 0.00 C ATOM 0 H ILE A 106 -28.887 -7.375 1.033 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.063 -8.985 3.470 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.092 -9.607 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.434 -9.325 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -30.176 -11.056 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -28.107 -11.962 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.950 -10.988 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.514 -11.443 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -32.038 -10.371 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.704 -11.021 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.966 -9.264 2.948 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.552 -9.309 3.916 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.156 -9.213 4.314 1.00 0.00 C ATOM 1442 C GLY A 107 -24.823 -7.904 4.991 1.00 0.00 C ATOM 1443 O GLY A 107 -23.680 -7.449 4.969 1.00 0.00 O ATOM 0 H GLY A 107 -27.105 -9.985 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.919 -10.035 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.524 -9.331 3.434 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.835 -7.299 5.573 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.689 -6.031 6.276 1.00 0.00 C ATOM 1449 C ASN A 108 -25.188 -4.933 5.353 1.00 0.00 C ATOM 1450 O ASN A 108 -24.252 -5.123 4.578 1.00 0.00 O ATOM 1451 CB ASN A 108 -24.737 -6.185 7.448 1.00 0.00 C ATOM 1452 CG ASN A 108 -25.367 -5.789 8.769 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -24.768 -5.065 9.563 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -26.584 -6.263 9.011 1.00 0.00 N ATOM 0 H ASN A 108 -26.786 -7.668 5.576 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.675 -5.744 6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -24.403 -7.221 7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.852 -5.573 7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -27.058 -6.029 9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -27.044 -6.860 8.324 1.00 0.00 H new ATOM 1461 N SER A 109 -25.798 -3.773 5.491 1.00 0.00 N ATOM 1462 CA SER A 109 -25.465 -2.615 4.683 1.00 0.00 C ATOM 1463 C SER A 109 -24.097 -2.047 5.037 1.00 0.00 C ATOM 1464 O SER A 109 -23.489 -1.327 4.244 1.00 0.00 O ATOM 1465 CB SER A 109 -26.535 -1.548 4.875 1.00 0.00 C ATOM 1466 OG SER A 109 -27.761 -2.122 5.295 1.00 0.00 O ATOM 0 H SER A 109 -26.541 -3.605 6.169 1.00 0.00 H new ATOM 0 HA SER A 109 -25.427 -2.929 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.199 -0.821 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.685 -1.007 3.941 1.00 0.00 H new ATOM 0 HG SER A 109 -27.808 -2.114 6.274 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.621 -2.363 6.232 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.333 -1.860 6.669 1.00 0.00 C ATOM 1474 C GLY A 110 -21.184 -2.386 5.830 1.00 0.00 C ATOM 1475 O GLY A 110 -20.992 -3.596 5.713 1.00 0.00 O ATOM 0 H GLY A 110 -24.102 -2.958 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.340 -0.771 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.174 -2.138 7.711 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.424 -1.469 5.241 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.274 -1.830 4.419 1.00 0.00 C ATOM 1481 C VAL A 111 -18.014 -1.176 4.964 1.00 0.00 C ATOM 1482 O VAL A 111 -18.075 -0.087 5.528 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.470 -1.406 2.956 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.506 -2.141 2.043 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.902 -1.644 2.515 1.00 0.00 C ATOM 0 H VAL A 111 -20.585 -0.465 5.318 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.175 -2.915 4.454 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.259 -0.339 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.666 -1.822 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.481 -1.915 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.677 -3.215 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.018 -1.337 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.140 -2.703 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.577 -1.063 3.143 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.876 -1.845 4.812 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.618 -1.311 5.320 1.00 0.00 C ATOM 1497 C LEU A 112 -14.685 -0.901 4.189 1.00 0.00 C ATOM 1498 O LEU A 112 -14.208 -1.740 3.424 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.917 -2.341 6.210 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.492 -1.966 6.631 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.820 -3.130 7.343 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.508 -0.732 7.520 1.00 0.00 C ATOM 0 H LEU A 112 -16.799 -2.749 4.346 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.857 -0.425 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.517 -2.493 7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.885 -3.294 5.682 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.917 -1.737 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.809 -2.844 7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.393 -3.392 8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.775 -3.989 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.488 -0.479 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.948 0.103 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.100 -0.934 8.413 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.402 0.393 4.112 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.478 0.915 3.120 1.00 0.00 C ATOM 1516 C CYS A 113 -12.049 0.750 3.612 1.00 0.00 C ATOM 1517 O CYS A 113 -11.569 1.539 4.429 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.760 2.390 2.857 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.535 3.206 1.784 1.00 0.00 S ATOM 0 H CYS A 113 -14.802 1.101 4.728 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.610 0.359 2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.745 2.484 2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.799 2.916 3.811 1.00 0.00 H new ATOM 1524 N SER A 114 -11.392 -0.302 3.145 1.00 0.00 N ATOM 1525 CA SER A 114 -10.029 -0.598 3.565 1.00 0.00 C ATOM 1526 C SER A 114 -9.171 -1.046 2.389 1.00 0.00 C ATOM 1527 O SER A 114 -9.685 -1.472 1.355 1.00 0.00 O ATOM 1528 CB SER A 114 -10.037 -1.682 4.643 1.00 0.00 C ATOM 1529 OG SER A 114 -8.964 -1.508 5.552 1.00 0.00 O ATOM 0 H SER A 114 -11.781 -0.965 2.475 1.00 0.00 H new ATOM 0 HA SER A 114 -9.597 0.317 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.983 -1.654 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.966 -2.664 4.176 1.00 0.00 H new ATOM 0 HG SER A 114 -8.994 -2.213 6.232 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.858 -0.951 2.561 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.935 -1.359 1.516 1.00 0.00 C ATOM 1537 C GLY A 115 -7.308 -0.802 0.156 1.00 0.00 C ATOM 1538 O GLY A 115 -6.957 -1.378 -0.874 1.00 0.00 O ATOM 0 H GLY A 115 -7.414 -0.597 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.929 -1.029 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.910 -2.447 1.464 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.019 0.320 0.150 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.427 0.929 -1.102 1.00 0.00 C ATOM 1544 C GLY A 116 -9.691 0.314 -1.675 1.00 0.00 C ATOM 1545 O GLY A 116 -10.220 0.796 -2.676 1.00 0.00 O ATOM 0 H GLY A 116 -8.320 0.818 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.587 1.996 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.620 0.830 -1.828 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.168 -0.761 -1.055 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.375 -1.431 -1.514 1.00 0.00 C ATOM 1551 C GLU A 117 -12.378 -1.562 -0.378 1.00 0.00 C ATOM 1552 O GLU A 117 -12.113 -1.145 0.750 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.041 -2.817 -2.069 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.266 -2.782 -3.374 1.00 0.00 C ATOM 1555 CD GLU A 117 -9.890 -4.167 -3.866 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -9.179 -4.262 -4.888 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -10.308 -5.156 -3.228 1.00 0.00 O ATOM 0 H GLU A 117 -9.736 -1.185 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.816 -0.828 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.461 -3.366 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.968 -3.370 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.864 -2.280 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.361 -2.190 -3.239 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.523 -2.155 -0.678 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.565 -2.343 0.313 1.00 0.00 C ATOM 1566 C TRP A 118 -14.710 -3.817 0.669 1.00 0.00 C ATOM 1567 O TRP A 118 -14.556 -4.689 -0.185 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.882 -1.791 -0.218 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.831 -0.322 -0.491 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.349 0.288 -1.612 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.259 0.725 0.383 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.470 1.651 -1.496 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -16.022 1.943 -0.278 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.824 0.749 1.660 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.331 3.172 0.294 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -17.131 1.971 2.228 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.887 3.168 1.543 1.00 0.00 C ATOM 0 H TRP A 118 -13.752 -2.515 -1.604 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.291 -1.803 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.147 -2.317 -1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.672 -1.994 0.505 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.933 -0.226 -2.466 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.194 2.334 -2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.017 -0.170 2.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -16.139 4.097 -0.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.566 2.003 3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -17.143 4.107 2.011 1.00 0.00 H new ATOM 1588 N SER A 119 -14.988 -4.091 1.939 1.00 0.00 N ATOM 1589 CA SER A 119 -15.124 -5.464 2.405 1.00 0.00 C ATOM 1590 C SER A 119 -16.474 -5.697 3.073 1.00 0.00 C ATOM 1591 O SER A 119 -17.166 -4.752 3.452 1.00 0.00 O ATOM 1592 CB SER A 119 -13.996 -5.803 3.381 1.00 0.00 C ATOM 1593 OG SER A 119 -13.196 -4.665 3.652 1.00 0.00 O ATOM 0 H SER A 119 -15.123 -3.383 2.661 1.00 0.00 H new ATOM 0 HA SER A 119 -15.061 -6.118 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.418 -6.184 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.376 -6.596 2.963 1.00 0.00 H new ATOM 0 HG SER A 119 -12.484 -4.908 4.280 1.00 0.00 H new ATOM 1599 N ASP A 120 -16.838 -6.971 3.200 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.096 -7.368 3.826 1.00 0.00 C ATOM 1601 C ASP A 120 -19.280 -6.564 3.294 1.00 0.00 C ATOM 1602 O ASP A 120 -20.115 -6.096 4.067 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.005 -7.215 5.346 1.00 0.00 C ATOM 1604 CG ASP A 120 -17.965 -5.765 5.785 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -16.859 -5.186 5.820 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.039 -5.208 6.094 1.00 0.00 O ATOM 0 H ASP A 120 -16.272 -7.754 2.873 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.266 -8.415 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -18.860 -7.707 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -17.111 -7.724 5.706 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.399 -6.431 1.962 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.511 -5.710 1.342 1.00 0.00 C ATOM 1613 C PRO A 121 -21.801 -6.528 1.357 1.00 0.00 C ATOM 1614 O PRO A 121 -21.772 -7.743 1.555 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.031 -5.492 -0.089 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.131 -6.650 -0.355 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.461 -6.966 0.956 1.00 0.00 C ATOM 0 HA PRO A 121 -20.751 -4.786 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.866 -5.468 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.502 -4.545 -0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.696 -7.507 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.395 -6.404 -1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.308 -8.038 1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.481 -6.494 1.030 1.00 0.00 H new ATOM 1625 N PRO A 122 -22.953 -5.874 1.136 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.253 -6.524 1.162 1.00 0.00 C ATOM 1627 C PRO A 122 -24.746 -6.961 -0.205 1.00 0.00 C ATOM 1628 O PRO A 122 -24.000 -6.988 -1.183 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.169 -5.422 1.695 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.488 -4.126 1.370 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.088 -4.431 0.917 1.00 0.00 C ATOM 0 HA PRO A 122 -24.222 -7.438 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.153 -5.473 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.319 -5.525 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.033 -3.596 0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.471 -3.476 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -22.942 -4.171 -0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.351 -3.869 1.491 1.00 0.00 H new ATOM 1639 N THR A 123 -26.028 -7.285 -0.247 1.00 0.00 N ATOM 1640 CA THR A 123 -26.701 -7.681 -1.473 1.00 0.00 C ATOM 1641 C THR A 123 -28.155 -7.240 -1.419 1.00 0.00 C ATOM 1642 O THR A 123 -28.637 -6.803 -0.374 1.00 0.00 O ATOM 1643 CB THR A 123 -26.627 -9.195 -1.663 1.00 0.00 C ATOM 1644 OG1 THR A 123 -25.735 -9.774 -0.727 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.176 -9.606 -3.046 1.00 0.00 C ATOM 0 H THR A 123 -26.634 -7.281 0.573 1.00 0.00 H new ATOM 0 HA THR A 123 -26.204 -7.202 -2.316 1.00 0.00 H new ATOM 0 HB THR A 123 -27.645 -9.554 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 123 -25.702 -10.744 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.146 -10.694 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 123 -26.875 -9.218 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.182 -9.204 -3.239 1.00 0.00 H new ATOM 1653 N CYS A 124 -28.855 -7.354 -2.536 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.253 -6.961 -2.580 1.00 0.00 C ATOM 1655 C CYS A 124 -31.135 -8.116 -3.028 1.00 0.00 C ATOM 1656 O CYS A 124 -31.367 -8.310 -4.221 1.00 0.00 O ATOM 1657 CB CYS A 124 -30.442 -5.764 -3.509 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.322 -4.157 -2.667 1.00 0.00 S ATOM 0 H CYS A 124 -28.483 -7.712 -3.416 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.552 -6.677 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -29.692 -5.807 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.417 -5.840 -3.990 1.00 0.00 H new ATOM 1663 N GLN A 125 -31.623 -8.881 -2.060 1.00 0.00 N ATOM 1664 CA GLN A 125 -32.497 -10.004 -2.345 1.00 0.00 C ATOM 1665 C GLN A 125 -33.884 -9.745 -1.782 1.00 0.00 C ATOM 1666 O GLN A 125 -34.060 -8.919 -0.887 1.00 0.00 O ATOM 1667 CB GLN A 125 -31.926 -11.293 -1.755 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.032 -12.059 -2.716 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.054 -12.971 -2.001 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -30.339 -13.479 -0.916 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -28.893 -13.185 -2.609 1.00 0.00 N ATOM 0 H GLN A 125 -31.426 -8.741 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 125 -32.568 -10.118 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -31.357 -11.051 -0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -32.749 -11.937 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -31.652 -12.652 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -30.479 -11.352 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -28.699 -12.743 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.195 -13.791 -2.177 1.00 0.00 H new ATOM 1680 N ILE A 126 -34.864 -10.454 -2.312 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.240 -10.294 -1.874 1.00 0.00 C ATOM 1682 C ILE A 126 -36.591 -11.296 -0.780 1.00 0.00 C ATOM 1683 O ILE A 126 -37.446 -12.163 -0.967 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.218 -10.460 -3.051 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -36.879 -9.465 -4.162 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -38.654 -10.279 -2.583 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.269 -8.038 -3.841 1.00 0.00 C ATOM 0 H ILE A 126 -34.733 -11.148 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.334 -9.285 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.118 -11.470 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -35.807 -9.504 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -37.382 -9.772 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.330 -10.400 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -38.886 -11.025 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -38.776 -9.282 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -36.998 -7.390 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.345 -7.984 -3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -36.746 -7.711 -2.942 1.00 0.00 H new TER 1699 ILE A 126