USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=34 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 83 ASN : amide:sc= -6.6! C(o=-6!,f=-7.3!) USER MOD Set 1.2: A 96 THR OG1 : rot 156:sc= 0.131 USER MOD Set 1.3: A 98 SER OG : rot -102:sc= 0.465 USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 79 ASN : amide:sc= -3.34! K(o=-3.3!,f=-1.1) USER MOD Set 3.1: A 73 SER OG : rot 122:sc= 0.849 USER MOD Set 3.2: A 82 HIS : no HE2:sc= -0.25 K(o=0.6,f=-8.6!) USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.00194 USER MOD Set 4.2: A 56 SER OG : rot -81:sc= 0.104 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.658 K(o=-0.66,f=0.027) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 67:sc= 0.96 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 161:sc= -1.27 USER MOD Single : A 33 TYR OH : rot -85:sc= -0.482 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.2!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -9.33! C(o=-9.3!,f=-8.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0675 (180deg=-0.555) USER MOD Single : A 47 SER OG : rot -24:sc= -1.48! 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 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.9!) USER MOD Single : A 68 SER OG : rot 13:sc= 0.874 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.774 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 78:sc= 1 USER MOD Single : A 97 TYR OH : rot -109:sc= -2.82 USER MOD Single : A 100 ASN : amide:sc= -3.83 K(o=-3.8,f=-11!) 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 79:sc= 0.102 USER MOD Single : A 108 ASN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.11 USER MOD Single : A 114 SER OG : rot 180:sc= -0.1 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 125 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 32.977 -5.377 -0.327 1.00 0.00 N ATOM 2 CA ARG A 7 32.726 -3.963 -0.576 1.00 0.00 C ATOM 3 C ARG A 7 31.229 -3.674 -0.591 1.00 0.00 C ATOM 4 O ARG A 7 30.692 -3.173 -1.579 1.00 0.00 O ATOM 5 CB ARG A 7 33.353 -3.538 -1.905 1.00 0.00 C ATOM 6 CG ARG A 7 34.793 -3.996 -2.070 1.00 0.00 C ATOM 7 CD ARG A 7 35.637 -2.937 -2.760 1.00 0.00 C ATOM 8 NE ARG A 7 35.583 -3.056 -4.214 1.00 0.00 N ATOM 9 CZ ARG A 7 36.190 -2.215 -5.044 1.00 0.00 C ATOM 10 NH1 ARG A 7 36.894 -1.199 -4.564 1.00 0.00 N ATOM 11 NH2 ARG A 7 36.094 -2.388 -6.355 1.00 0.00 N ATOM 0 HA ARG A 7 33.182 -3.390 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 7 32.756 -3.940 -2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 7 33.314 -2.452 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 7 35.219 -4.222 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 7 34.819 -4.918 -2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 7 35.290 -1.947 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 7 36.671 -3.024 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 7 35.050 -3.828 -4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 7 36.970 -1.062 -3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 7 37.359 -0.554 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 7 35.553 -3.168 -6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 7 36.561 -1.741 -6.990 1.00 0.00 H new ATOM 25 N ARG A 8 30.560 -3.998 0.511 1.00 0.00 N ATOM 26 CA ARG A 8 29.124 -3.780 0.625 1.00 0.00 C ATOM 27 C ARG A 8 28.802 -2.293 0.734 1.00 0.00 C ATOM 28 O ARG A 8 29.691 -1.446 0.652 1.00 0.00 O ATOM 29 CB ARG A 8 28.572 -4.523 1.844 1.00 0.00 C ATOM 30 CG ARG A 8 29.156 -5.915 2.023 1.00 0.00 C ATOM 31 CD ARG A 8 28.139 -6.873 2.621 1.00 0.00 C ATOM 32 NE ARG A 8 27.843 -7.988 1.726 1.00 0.00 N ATOM 33 CZ ARG A 8 27.286 -9.127 2.127 1.00 0.00 C ATOM 34 NH1 ARG A 8 27.048 -10.095 1.253 1.00 0.00 N ATOM 35 NH2 ARG A 8 26.967 -9.298 3.403 1.00 0.00 N ATOM 0 H ARG A 8 30.990 -4.413 1.338 1.00 0.00 H new ATOM 0 HA ARG A 8 28.651 -4.168 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.774 -3.935 2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.489 -4.601 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.493 -6.296 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 8 30.032 -5.863 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 8 28.518 -7.259 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.219 -6.332 2.843 1.00 0.00 H new ATOM 0 HE ARG A 8 28.076 -7.888 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 8 27.292 -9.967 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 8 26.621 -10.968 1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 8 27.149 -8.555 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 8 26.540 -10.172 3.709 1.00 0.00 H new ATOM 49 N CYS A 9 27.522 -1.985 0.918 1.00 0.00 N ATOM 50 CA CYS A 9 27.074 -0.603 1.040 1.00 0.00 C ATOM 51 C CYS A 9 26.658 -0.294 2.476 1.00 0.00 C ATOM 52 O CYS A 9 26.387 -1.202 3.260 1.00 0.00 O ATOM 53 CB CYS A 9 25.903 -0.345 0.090 1.00 0.00 C ATOM 54 SG CYS A 9 26.389 -0.153 -1.655 1.00 0.00 S ATOM 0 H CYS A 9 26.775 -2.676 0.986 1.00 0.00 H new ATOM 0 HA CYS A 9 27.903 0.052 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.195 -1.170 0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.380 0.556 0.412 1.00 0.00 H new ATOM 59 N PRO A 10 26.602 0.998 2.840 1.00 0.00 N ATOM 60 CA PRO A 10 26.221 1.420 4.191 1.00 0.00 C ATOM 61 C PRO A 10 24.760 1.114 4.501 1.00 0.00 C ATOM 62 O PRO A 10 24.006 0.686 3.627 1.00 0.00 O ATOM 63 CB PRO A 10 26.469 2.928 4.186 1.00 0.00 C ATOM 64 CG PRO A 10 26.398 3.321 2.753 1.00 0.00 C ATOM 65 CD PRO A 10 26.913 2.146 1.971 1.00 0.00 C ATOM 0 HA PRO A 10 26.790 0.892 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.720 3.454 4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.441 3.170 4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.375 3.562 2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.000 4.210 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.422 2.061 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.983 2.228 1.780 1.00 0.00 H new ATOM 73 N SER A 11 24.367 1.330 5.751 1.00 0.00 N ATOM 74 CA SER A 11 22.998 1.068 6.177 1.00 0.00 C ATOM 75 C SER A 11 21.995 1.737 5.237 1.00 0.00 C ATOM 76 O SER A 11 21.897 2.963 5.199 1.00 0.00 O ATOM 77 CB SER A 11 22.783 1.571 7.606 1.00 0.00 C ATOM 78 OG SER A 11 21.724 0.873 8.238 1.00 0.00 O ATOM 0 H SER A 11 24.977 1.686 6.487 1.00 0.00 H new ATOM 0 HA SER A 11 22.836 -0.009 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.700 1.445 8.181 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.561 2.638 7.590 1.00 0.00 H new ATOM 0 HG SER A 11 21.608 1.211 9.150 1.00 0.00 H new ATOM 84 N PRO A 12 21.231 0.942 4.462 1.00 0.00 N ATOM 85 CA PRO A 12 20.239 1.480 3.535 1.00 0.00 C ATOM 86 C PRO A 12 19.223 2.368 4.241 1.00 0.00 C ATOM 87 O PRO A 12 18.843 2.106 5.382 1.00 0.00 O ATOM 88 CB PRO A 12 19.549 0.242 2.950 1.00 0.00 C ATOM 89 CG PRO A 12 19.979 -0.913 3.785 1.00 0.00 C ATOM 90 CD PRO A 12 21.270 -0.527 4.438 1.00 0.00 C ATOM 0 HA PRO A 12 20.703 2.108 2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.465 0.355 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.833 0.095 1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.224 -1.149 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.109 -1.805 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.348 -0.941 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.128 -0.894 3.875 1.00 0.00 H new ATOM 98 N ARG A 13 18.787 3.423 3.559 1.00 0.00 N ATOM 99 CA ARG A 13 17.797 4.334 4.117 1.00 0.00 C ATOM 100 C ARG A 13 16.596 3.554 4.619 1.00 0.00 C ATOM 101 O ARG A 13 16.384 2.409 4.227 1.00 0.00 O ATOM 102 CB ARG A 13 17.362 5.354 3.065 1.00 0.00 C ATOM 103 CG ARG A 13 17.972 6.731 3.266 1.00 0.00 C ATOM 104 CD ARG A 13 16.998 7.830 2.880 1.00 0.00 C ATOM 105 NE ARG A 13 17.495 9.155 3.238 1.00 0.00 N ATOM 106 CZ ARG A 13 18.358 9.844 2.498 1.00 0.00 C ATOM 107 NH1 ARG A 13 18.818 9.335 1.364 1.00 0.00 N ATOM 108 NH2 ARG A 13 18.763 11.044 2.893 1.00 0.00 N ATOM 0 H ARG A 13 19.104 3.667 2.621 1.00 0.00 H new ATOM 0 HA ARG A 13 18.245 4.868 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.637 4.985 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.276 5.441 3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.265 6.852 4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.879 6.820 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.814 7.790 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.042 7.656 3.374 1.00 0.00 H new ATOM 0 HE ARG A 13 17.161 9.576 4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.510 8.412 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.480 9.866 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.412 11.439 3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.425 11.572 2.324 1.00 0.00 H new ATOM 122 N ASP A 14 15.828 4.161 5.508 1.00 0.00 N ATOM 123 CA ASP A 14 14.681 3.487 6.085 1.00 0.00 C ATOM 124 C ASP A 14 13.373 4.117 5.634 1.00 0.00 C ATOM 125 O ASP A 14 13.354 5.006 4.783 1.00 0.00 O ATOM 126 CB ASP A 14 14.776 3.510 7.608 1.00 0.00 C ATOM 127 CG ASP A 14 14.673 2.124 8.216 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.568 1.294 7.957 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.695 1.869 8.951 1.00 0.00 O ATOM 0 H ASP A 14 15.978 5.113 5.843 1.00 0.00 H new ATOM 0 HA ASP A 14 14.689 2.455 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.722 3.964 7.903 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.982 4.139 8.009 1.00 0.00 H new ATOM 134 N ILE A 15 12.281 3.636 6.210 1.00 0.00 N ATOM 135 CA ILE A 15 10.951 4.131 5.881 1.00 0.00 C ATOM 136 C ILE A 15 10.062 4.141 7.121 1.00 0.00 C ATOM 137 O ILE A 15 10.118 3.226 7.943 1.00 0.00 O ATOM 138 CB ILE A 15 10.295 3.273 4.783 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.993 3.916 4.302 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.039 1.865 5.293 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.780 3.797 2.809 1.00 0.00 C ATOM 0 H ILE A 15 12.290 2.897 6.913 1.00 0.00 H new ATOM 0 HA ILE A 15 11.060 5.150 5.508 1.00 0.00 H new ATOM 0 HB ILE A 15 10.979 3.215 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.154 3.451 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.993 4.970 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.575 1.271 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.984 1.406 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.374 1.906 6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.838 4.274 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.600 4.287 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.748 2.744 2.529 1.00 0.00 H new ATOM 153 N ASP A 16 9.258 5.189 7.263 1.00 0.00 N ATOM 154 CA ASP A 16 8.384 5.330 8.423 1.00 0.00 C ATOM 155 C ASP A 16 7.047 4.629 8.209 1.00 0.00 C ATOM 156 O ASP A 16 6.577 3.891 9.075 1.00 0.00 O ATOM 157 CB ASP A 16 8.147 6.811 8.727 1.00 0.00 C ATOM 158 CG ASP A 16 9.191 7.383 9.665 1.00 0.00 C ATOM 159 OD1 ASP A 16 9.017 7.256 10.896 1.00 0.00 O ATOM 160 OD2 ASP A 16 10.184 7.957 9.170 1.00 0.00 O ATOM 0 H ASP A 16 9.193 5.953 6.590 1.00 0.00 H new ATOM 0 HA ASP A 16 8.881 4.857 9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.152 7.376 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.158 6.935 9.169 1.00 0.00 H new ATOM 165 N ASN A 17 6.432 4.875 7.059 1.00 0.00 N ATOM 166 CA ASN A 17 5.135 4.286 6.744 1.00 0.00 C ATOM 167 C ASN A 17 5.298 2.997 5.946 1.00 0.00 C ATOM 168 O ASN A 17 4.405 2.602 5.195 1.00 0.00 O ATOM 169 CB ASN A 17 4.274 5.278 5.957 1.00 0.00 C ATOM 170 CG ASN A 17 4.485 6.711 6.402 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.720 7.246 7.204 1.00 0.00 O ATOM 172 ND2 ASN A 17 5.539 7.336 5.890 1.00 0.00 N ATOM 0 H ASN A 17 6.810 5.478 6.328 1.00 0.00 H new ATOM 0 HA ASN A 17 4.638 4.050 7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.506 5.193 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.223 5.015 6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.741 8.299 6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.146 6.853 5.228 1.00 0.00 H new ATOM 179 N GLY A 18 6.441 2.343 6.115 1.00 0.00 N ATOM 180 CA GLY A 18 6.702 1.109 5.397 1.00 0.00 C ATOM 181 C GLY A 18 7.744 0.240 6.079 1.00 0.00 C ATOM 182 O GLY A 18 8.144 0.509 7.212 1.00 0.00 O ATOM 0 H GLY A 18 7.192 2.645 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.773 0.547 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.037 1.346 4.387 1.00 0.00 H new ATOM 186 N GLN A 19 8.181 -0.808 5.384 1.00 0.00 N ATOM 187 CA GLN A 19 9.184 -1.726 5.917 1.00 0.00 C ATOM 188 C GLN A 19 10.152 -2.160 4.821 1.00 0.00 C ATOM 189 O GLN A 19 9.732 -2.581 3.743 1.00 0.00 O ATOM 190 CB GLN A 19 8.518 -2.962 6.531 1.00 0.00 C ATOM 191 CG GLN A 19 7.124 -2.707 7.082 1.00 0.00 C ATOM 192 CD GLN A 19 6.789 -3.605 8.257 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.916 -3.205 9.414 1.00 0.00 O ATOM 194 NE2 GLN A 19 6.360 -4.827 7.964 1.00 0.00 N ATOM 0 H GLN A 19 7.854 -1.043 4.447 1.00 0.00 H new ATOM 0 HA GLN A 19 9.738 -1.200 6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.460 -3.744 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.150 -3.341 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.045 -1.665 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.391 -2.861 6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.270 -5.116 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.120 -5.477 8.713 1.00 0.00 H new ATOM 203 N LEU A 20 11.447 -2.070 5.105 1.00 0.00 N ATOM 204 CA LEU A 20 12.465 -2.444 4.137 1.00 0.00 C ATOM 205 C LEU A 20 12.552 -3.954 3.966 1.00 0.00 C ATOM 206 O LEU A 20 12.191 -4.719 4.861 1.00 0.00 O ATOM 207 CB LEU A 20 13.821 -1.910 4.578 1.00 0.00 C ATOM 208 CG LEU A 20 14.191 -0.548 4.003 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.516 -0.091 4.574 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.101 0.470 4.295 1.00 0.00 C ATOM 0 H LEU A 20 11.814 -1.741 5.998 1.00 0.00 H new ATOM 0 HA LEU A 20 12.184 -2.007 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.833 -1.845 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.589 -2.629 4.293 1.00 0.00 H new ATOM 0 HG LEU A 20 14.288 -0.637 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.775 0.883 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.438 -0.014 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.291 -0.812 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.384 1.436 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.165 0.140 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.972 0.566 5.373 1.00 0.00 H new ATOM 222 N ASP A 21 13.065 -4.369 2.815 1.00 0.00 N ATOM 223 CA ASP A 21 13.265 -5.780 2.519 1.00 0.00 C ATOM 224 C ASP A 21 14.669 -5.990 1.969 1.00 0.00 C ATOM 225 O ASP A 21 14.854 -6.192 0.768 1.00 0.00 O ATOM 226 CB ASP A 21 12.222 -6.272 1.513 1.00 0.00 C ATOM 227 CG ASP A 21 11.643 -7.621 1.894 1.00 0.00 C ATOM 228 OD1 ASP A 21 10.424 -7.692 2.153 1.00 0.00 O ATOM 229 OD2 ASP A 21 12.410 -8.606 1.932 1.00 0.00 O ATOM 0 H ASP A 21 13.352 -3.740 2.065 1.00 0.00 H new ATOM 0 HA ASP A 21 13.149 -6.355 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.417 -5.541 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.678 -6.341 0.525 1.00 0.00 H new ATOM 234 N ILE A 22 15.659 -5.895 2.852 1.00 0.00 N ATOM 235 CA ILE A 22 17.058 -6.013 2.456 1.00 0.00 C ATOM 236 C ILE A 22 17.404 -7.432 2.025 1.00 0.00 C ATOM 237 O ILE A 22 17.630 -8.310 2.857 1.00 0.00 O ATOM 238 CB ILE A 22 18.005 -5.587 3.598 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.709 -4.149 4.031 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.459 -5.719 3.164 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.546 -3.689 5.203 1.00 0.00 C ATOM 0 H ILE A 22 15.517 -5.736 3.849 1.00 0.00 H new ATOM 0 HA ILE A 22 17.196 -5.343 1.607 1.00 0.00 H new ATOM 0 HB ILE A 22 17.836 -6.248 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.881 -3.481 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.654 -4.066 4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.112 -5.414 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.667 -6.756 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.640 -5.081 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.284 -2.662 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.356 -4.334 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.602 -3.739 4.938 1.00 0.00 H new ATOM 253 N GLY A 23 17.474 -7.637 0.715 1.00 0.00 N ATOM 254 CA GLY A 23 17.843 -8.934 0.184 1.00 0.00 C ATOM 255 C GLY A 23 19.274 -8.953 -0.325 1.00 0.00 C ATOM 256 O GLY A 23 19.657 -9.842 -1.084 1.00 0.00 O ATOM 0 H GLY A 23 17.281 -6.926 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.724 -9.691 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.166 -9.200 -0.628 1.00 0.00 H new ATOM 260 N GLY A 24 20.063 -7.963 0.092 1.00 0.00 N ATOM 261 CA GLY A 24 21.446 -7.882 -0.339 1.00 0.00 C ATOM 262 C GLY A 24 21.997 -6.474 -0.230 1.00 0.00 C ATOM 263 O GLY A 24 21.410 -5.529 -0.757 1.00 0.00 O ATOM 0 H GLY A 24 19.767 -7.217 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.053 -8.556 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.524 -8.222 -1.372 1.00 0.00 H new ATOM 267 N VAL A 25 23.121 -6.329 0.464 1.00 0.00 N ATOM 268 CA VAL A 25 23.737 -5.020 0.650 1.00 0.00 C ATOM 269 C VAL A 25 25.116 -4.951 0.004 1.00 0.00 C ATOM 270 O VAL A 25 25.919 -4.079 0.335 1.00 0.00 O ATOM 271 CB VAL A 25 23.870 -4.670 2.144 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.503 -4.639 2.810 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.792 -5.656 2.843 1.00 0.00 C ATOM 0 H VAL A 25 23.623 -7.099 0.906 1.00 0.00 H new ATOM 0 HA VAL A 25 23.080 -4.298 0.166 1.00 0.00 H new ATOM 0 HB VAL A 25 24.310 -3.676 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.618 -4.390 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.879 -3.888 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.031 -5.617 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.874 -5.393 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.385 -6.663 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.779 -5.620 2.382 1.00 0.00 H new ATOM 283 N ASP A 26 25.387 -5.865 -0.921 1.00 0.00 N ATOM 284 CA ASP A 26 26.672 -5.885 -1.608 1.00 0.00 C ATOM 285 C ASP A 26 26.641 -4.993 -2.841 1.00 0.00 C ATOM 286 O ASP A 26 25.574 -4.594 -3.307 1.00 0.00 O ATOM 287 CB ASP A 26 27.046 -7.311 -2.008 1.00 0.00 C ATOM 288 CG ASP A 26 28.484 -7.422 -2.477 1.00 0.00 C ATOM 289 OD1 ASP A 26 28.741 -7.155 -3.670 1.00 0.00 O ATOM 290 OD2 ASP A 26 29.352 -7.775 -1.652 1.00 0.00 O ATOM 0 H ASP A 26 24.739 -6.597 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 26 27.426 -5.502 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 26 26.892 -7.976 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 26 26.381 -7.649 -2.802 1.00 0.00 H new ATOM 295 N PHE A 27 27.820 -4.683 -3.361 1.00 0.00 N ATOM 296 CA PHE A 27 27.938 -3.840 -4.542 1.00 0.00 C ATOM 297 C PHE A 27 27.255 -4.488 -5.739 1.00 0.00 C ATOM 298 O PHE A 27 27.864 -5.275 -6.464 1.00 0.00 O ATOM 299 CB PHE A 27 29.412 -3.573 -4.858 1.00 0.00 C ATOM 300 CG PHE A 27 29.627 -2.637 -6.015 1.00 0.00 C ATOM 301 CD1 PHE A 27 30.783 -2.714 -6.776 1.00 0.00 C ATOM 302 CD2 PHE A 27 28.680 -1.676 -6.339 1.00 0.00 C ATOM 303 CE1 PHE A 27 30.989 -1.855 -7.839 1.00 0.00 C ATOM 304 CE2 PHE A 27 28.881 -0.815 -7.402 1.00 0.00 C ATOM 305 CZ PHE A 27 30.037 -0.905 -8.152 1.00 0.00 C ATOM 0 H PHE A 27 28.711 -5.004 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 27 27.443 -2.891 -4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.894 -3.158 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.905 -4.521 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 27 31.532 -3.454 -6.535 1.00 0.00 H new ATOM 0 HD2 PHE A 27 27.775 -1.600 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 27 31.894 -1.927 -8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 27 28.135 -0.073 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.196 -0.233 -8.982 1.00 0.00 H new ATOM 315 N GLY A 28 25.983 -4.162 -5.930 1.00 0.00 N ATOM 316 CA GLY A 28 25.233 -4.718 -7.041 1.00 0.00 C ATOM 317 C GLY A 28 23.955 -5.415 -6.605 1.00 0.00 C ATOM 318 O GLY A 28 23.330 -6.122 -7.395 1.00 0.00 O ATOM 0 H GLY A 28 25.456 -3.522 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.984 -3.920 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.862 -5.428 -7.578 1.00 0.00 H new ATOM 322 N SER A 29 23.560 -5.217 -5.349 1.00 0.00 N ATOM 323 CA SER A 29 22.341 -5.824 -4.829 1.00 0.00 C ATOM 324 C SER A 29 21.178 -4.845 -4.919 1.00 0.00 C ATOM 325 O SER A 29 21.304 -3.772 -5.509 1.00 0.00 O ATOM 326 CB SER A 29 22.543 -6.264 -3.377 1.00 0.00 C ATOM 327 OG SER A 29 23.861 -6.739 -3.165 1.00 0.00 O ATOM 0 H SER A 29 24.066 -4.642 -4.676 1.00 0.00 H new ATOM 0 HA SER A 29 22.109 -6.700 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.344 -5.426 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.827 -7.047 -3.128 1.00 0.00 H new ATOM 0 HG SER A 29 24.495 -5.998 -3.261 1.00 0.00 H new ATOM 333 N SER A 30 20.045 -5.215 -4.332 1.00 0.00 N ATOM 334 CA SER A 30 18.869 -4.355 -4.353 1.00 0.00 C ATOM 335 C SER A 30 17.941 -4.654 -3.183 1.00 0.00 C ATOM 336 O SER A 30 17.828 -5.796 -2.738 1.00 0.00 O ATOM 337 CB SER A 30 18.111 -4.519 -5.671 1.00 0.00 C ATOM 338 OG SER A 30 17.881 -5.887 -5.962 1.00 0.00 O ATOM 0 H SER A 30 19.917 -6.099 -3.839 1.00 0.00 H new ATOM 0 HA SER A 30 19.212 -3.325 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.159 -3.991 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.681 -4.063 -6.481 1.00 0.00 H new ATOM 0 HG SER A 30 17.393 -5.964 -6.809 1.00 0.00 H new ATOM 344 N ILE A 31 17.270 -3.615 -2.698 1.00 0.00 N ATOM 345 CA ILE A 31 16.339 -3.754 -1.583 1.00 0.00 C ATOM 346 C ILE A 31 14.900 -3.647 -2.068 1.00 0.00 C ATOM 347 O ILE A 31 14.651 -3.295 -3.221 1.00 0.00 O ATOM 348 CB ILE A 31 16.568 -2.686 -0.489 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.004 -2.164 -0.509 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.252 -3.260 0.876 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.246 -1.040 0.477 1.00 0.00 C ATOM 0 H ILE A 31 17.353 -2.665 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 31 16.522 -4.738 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 31 15.899 -1.851 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.685 -2.986 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.242 -1.815 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.417 -2.498 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.211 -3.581 0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.900 -4.114 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.285 -0.716 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.589 -0.202 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.039 -1.392 1.488 1.00 0.00 H new ATOM 363 N THR A 32 13.954 -3.932 -1.180 1.00 0.00 N ATOM 364 CA THR A 32 12.543 -3.853 -1.529 1.00 0.00 C ATOM 365 C THR A 32 11.758 -3.082 -0.480 1.00 0.00 C ATOM 366 O THR A 32 11.611 -3.529 0.658 1.00 0.00 O ATOM 367 CB THR A 32 11.954 -5.253 -1.702 1.00 0.00 C ATOM 368 OG1 THR A 32 12.972 -6.236 -1.626 1.00 0.00 O ATOM 369 CG2 THR A 32 11.232 -5.439 -3.018 1.00 0.00 C ATOM 0 H THR A 32 14.138 -4.218 -0.218 1.00 0.00 H new ATOM 0 HA THR A 32 12.465 -3.317 -2.475 1.00 0.00 H new ATOM 0 HB THR A 32 11.233 -5.367 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.570 -7.109 -1.433 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.838 -6.454 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.410 -4.726 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.927 -5.271 -3.841 1.00 0.00 H new ATOM 377 N TYR A 33 11.245 -1.921 -0.877 1.00 0.00 N ATOM 378 CA TYR A 33 10.475 -1.082 0.030 1.00 0.00 C ATOM 379 C TYR A 33 8.995 -1.440 -0.010 1.00 0.00 C ATOM 380 O TYR A 33 8.424 -1.646 -1.081 1.00 0.00 O ATOM 381 CB TYR A 33 10.666 0.389 -0.330 1.00 0.00 C ATOM 382 CG TYR A 33 11.883 1.006 0.314 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.152 0.801 -0.214 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.765 1.776 1.463 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.268 1.361 0.379 1.00 0.00 C ATOM 386 CE2 TYR A 33 12.876 2.337 2.062 1.00 0.00 C ATOM 387 CZ TYR A 33 14.125 2.129 1.516 1.00 0.00 C ATOM 388 OH TYR A 33 15.238 2.686 2.108 1.00 0.00 O ATOM 0 H TYR A 33 11.349 -1.542 -1.818 1.00 0.00 H new ATOM 0 HA TYR A 33 10.838 -1.256 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.749 0.483 -1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.780 0.948 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.268 0.195 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.789 1.939 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.247 1.198 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.767 2.936 2.954 1.00 0.00 H new ATOM 0 HH TYR A 33 15.651 2.031 2.709 1.00 0.00 H new ATOM 398 N SER A 34 8.379 -1.512 1.165 1.00 0.00 N ATOM 399 CA SER A 34 6.964 -1.846 1.264 1.00 0.00 C ATOM 400 C SER A 34 6.280 -0.993 2.324 1.00 0.00 C ATOM 401 O SER A 34 6.931 -0.467 3.223 1.00 0.00 O ATOM 402 CB SER A 34 6.792 -3.329 1.598 1.00 0.00 C ATOM 403 OG SER A 34 7.615 -4.137 0.776 1.00 0.00 O ATOM 0 H SER A 34 8.837 -1.344 2.061 1.00 0.00 H new ATOM 0 HA SER A 34 6.498 -1.641 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.040 -3.500 2.646 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.749 -3.616 1.467 1.00 0.00 H new ATOM 0 HG SER A 34 7.487 -5.080 1.011 1.00 0.00 H new ATOM 409 N CYS A 35 4.963 -0.861 2.215 1.00 0.00 N ATOM 410 CA CYS A 35 4.196 -0.072 3.169 1.00 0.00 C ATOM 411 C CYS A 35 3.773 -0.919 4.362 1.00 0.00 C ATOM 412 O CYS A 35 3.713 -2.146 4.278 1.00 0.00 O ATOM 413 CB CYS A 35 2.966 0.527 2.492 1.00 0.00 C ATOM 414 SG CYS A 35 3.315 2.001 1.480 1.00 0.00 S ATOM 0 H CYS A 35 4.406 -1.290 1.476 1.00 0.00 H new ATOM 0 HA CYS A 35 4.833 0.735 3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.506 -0.233 1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.236 0.790 3.257 1.00 0.00 H new ATOM 419 N ASN A 36 3.488 -0.254 5.475 1.00 0.00 N ATOM 420 CA ASN A 36 3.083 -0.948 6.695 1.00 0.00 C ATOM 421 C ASN A 36 1.887 -1.863 6.430 1.00 0.00 C ATOM 422 O ASN A 36 2.055 -3.017 6.034 1.00 0.00 O ATOM 423 CB ASN A 36 2.754 0.046 7.821 1.00 0.00 C ATOM 424 CG ASN A 36 2.198 1.366 7.317 1.00 0.00 C ATOM 425 OD1 ASN A 36 1.066 1.434 6.838 1.00 0.00 O ATOM 426 ND2 ASN A 36 2.997 2.420 7.421 1.00 0.00 N ATOM 0 H ASN A 36 3.529 0.762 5.560 1.00 0.00 H new ATOM 0 HA ASN A 36 3.925 -1.560 7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.031 -0.409 8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.657 0.238 8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.680 3.334 7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.928 2.316 7.825 1.00 0.00 H new ATOM 433 N SER A 37 0.683 -1.342 6.643 1.00 0.00 N ATOM 434 CA SER A 37 -0.535 -2.115 6.434 1.00 0.00 C ATOM 435 C SER A 37 -1.674 -1.216 5.961 1.00 0.00 C ATOM 436 O SER A 37 -1.936 -0.167 6.550 1.00 0.00 O ATOM 437 CB SER A 37 -0.924 -2.837 7.729 1.00 0.00 C ATOM 438 OG SER A 37 -1.954 -2.151 8.422 1.00 0.00 O ATOM 0 H SER A 37 0.525 -0.386 6.961 1.00 0.00 H new ATOM 0 HA SER A 37 -0.347 -2.857 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.254 -3.850 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.049 -2.927 8.373 1.00 0.00 H new ATOM 0 HG SER A 37 -2.178 -2.639 9.242 1.00 0.00 H new ATOM 444 N GLY A 38 -2.349 -1.636 4.897 1.00 0.00 N ATOM 445 CA GLY A 38 -3.434 -0.845 4.350 1.00 0.00 C ATOM 446 C GLY A 38 -2.936 0.439 3.721 1.00 0.00 C ATOM 447 O GLY A 38 -3.680 1.412 3.599 1.00 0.00 O ATOM 0 H GLY A 38 -2.164 -2.510 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.970 -1.431 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.146 -0.609 5.141 1.00 0.00 H new ATOM 451 N TYR A 39 -1.666 0.441 3.329 1.00 0.00 N ATOM 452 CA TYR A 39 -1.051 1.613 2.725 1.00 0.00 C ATOM 453 C TYR A 39 -0.635 1.331 1.286 1.00 0.00 C ATOM 454 O TYR A 39 -0.617 0.180 0.849 1.00 0.00 O ATOM 455 CB TYR A 39 0.175 2.030 3.538 1.00 0.00 C ATOM 456 CG TYR A 39 -0.100 3.108 4.559 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.287 3.125 5.279 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.836 4.100 4.812 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.538 4.110 6.216 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.595 5.088 5.747 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.594 5.089 6.447 1.00 0.00 C ATOM 462 OH TYR A 39 -0.839 6.071 7.379 1.00 0.00 O ATOM 0 H TYR A 39 -1.042 -0.361 3.420 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.784 2.420 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.574 1.154 4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.949 2.380 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.026 2.357 5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.769 4.100 4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.468 4.113 6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.333 5.855 5.929 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.073 6.681 7.420 1.00 0.00 H new ATOM 472 N HIS A 40 -0.284 2.386 0.558 1.00 0.00 N ATOM 473 CA HIS A 40 0.169 2.243 -0.819 1.00 0.00 C ATOM 474 C HIS A 40 1.468 3.009 -1.037 1.00 0.00 C ATOM 475 O HIS A 40 1.549 4.207 -0.766 1.00 0.00 O ATOM 476 CB HIS A 40 -0.904 2.721 -1.803 1.00 0.00 C ATOM 477 CG HIS A 40 -1.040 4.211 -1.890 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.207 4.883 -3.083 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.038 5.159 -0.925 1.00 0.00 C ATOM 480 CE1 HIS A 40 -1.301 6.180 -2.847 1.00 0.00 C ATOM 481 NE2 HIS A 40 -1.200 6.373 -1.545 1.00 0.00 N ATOM 0 H HIS A 40 -0.305 3.347 0.899 1.00 0.00 H new ATOM 0 HA HIS A 40 0.353 1.185 -1.005 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.672 2.330 -2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.864 2.297 -1.510 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.929 4.992 0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.437 6.950 -3.592 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.236 7.278 -1.076 1.00 0.00 H new ATOM 490 N LEU A 41 2.485 2.303 -1.510 1.00 0.00 N ATOM 491 CA LEU A 41 3.784 2.906 -1.757 1.00 0.00 C ATOM 492 C LEU A 41 3.849 3.489 -3.162 1.00 0.00 C ATOM 493 O LEU A 41 3.601 2.791 -4.146 1.00 0.00 O ATOM 494 CB LEU A 41 4.888 1.865 -1.571 1.00 0.00 C ATOM 495 CG LEU A 41 6.281 2.318 -1.998 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.346 1.516 -1.266 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.441 2.179 -3.502 1.00 0.00 C ATOM 0 H LEU A 41 2.434 1.308 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 41 3.930 3.715 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.922 1.578 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.623 0.972 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 41 6.404 3.369 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.334 1.851 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.238 1.664 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.230 0.458 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.439 2.506 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.302 1.136 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.696 2.795 -4.006 1.00 0.00 H new ATOM 509 N ILE A 42 4.175 4.773 -3.252 1.00 0.00 N ATOM 510 CA ILE A 42 4.267 5.443 -4.543 1.00 0.00 C ATOM 511 C ILE A 42 5.718 5.613 -4.969 1.00 0.00 C ATOM 512 O ILE A 42 6.637 5.459 -4.165 1.00 0.00 O ATOM 513 CB ILE A 42 3.580 6.826 -4.532 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.392 6.838 -3.565 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.122 7.191 -5.935 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.421 5.700 -3.790 1.00 0.00 C ATOM 0 H ILE A 42 4.379 5.369 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 42 3.748 4.805 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 42 4.303 7.567 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.765 6.790 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.861 7.784 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.639 8.168 -5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.984 7.224 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.415 6.443 -6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.605 5.770 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.019 5.759 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.938 4.749 -3.660 1.00 0.00 H new ATOM 528 N GLY A 43 5.916 5.924 -6.243 1.00 0.00 N ATOM 529 CA GLY A 43 7.260 6.099 -6.763 1.00 0.00 C ATOM 530 C GLY A 43 7.981 4.778 -6.946 1.00 0.00 C ATOM 531 O GLY A 43 7.403 3.814 -7.447 1.00 0.00 O ATOM 0 H GLY A 43 5.171 6.058 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.213 6.620 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.831 6.731 -6.083 1.00 0.00 H new ATOM 535 N GLU A 44 9.246 4.730 -6.538 1.00 0.00 N ATOM 536 CA GLU A 44 10.035 3.512 -6.646 1.00 0.00 C ATOM 537 C GLU A 44 9.609 2.505 -5.589 1.00 0.00 C ATOM 538 O GLU A 44 8.660 2.738 -4.846 1.00 0.00 O ATOM 539 CB GLU A 44 11.518 3.831 -6.474 1.00 0.00 C ATOM 540 CG GLU A 44 11.802 4.693 -5.259 1.00 0.00 C ATOM 541 CD GLU A 44 12.463 6.010 -5.615 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.203 6.551 -4.766 1.00 0.00 O ATOM 543 OE2 GLU A 44 12.244 6.498 -6.743 1.00 0.00 O ATOM 0 H GLU A 44 9.744 5.521 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 44 9.868 3.082 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.077 2.899 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.880 4.341 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.868 4.891 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.445 4.143 -4.571 1.00 0.00 H new ATOM 550 N SER A 45 10.349 1.410 -5.497 1.00 0.00 N ATOM 551 CA SER A 45 10.051 0.364 -4.542 1.00 0.00 C ATOM 552 C SER A 45 11.241 -0.563 -4.352 1.00 0.00 C ATOM 553 O SER A 45 11.080 -1.724 -3.973 1.00 0.00 O ATOM 554 CB SER A 45 8.869 -0.442 -5.043 1.00 0.00 C ATOM 555 OG SER A 45 8.978 -0.698 -6.432 1.00 0.00 O ATOM 0 H SER A 45 11.166 1.226 -6.079 1.00 0.00 H new ATOM 0 HA SER A 45 9.820 0.828 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.812 -1.385 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.944 0.099 -4.841 1.00 0.00 H new ATOM 0 HG SER A 45 8.204 -1.221 -6.730 1.00 0.00 H new ATOM 561 N LYS A 46 12.433 -0.056 -4.629 1.00 0.00 N ATOM 562 CA LYS A 46 13.633 -0.866 -4.534 1.00 0.00 C ATOM 563 C LYS A 46 14.894 -0.007 -4.584 1.00 0.00 C ATOM 564 O LYS A 46 15.094 0.763 -5.523 1.00 0.00 O ATOM 565 CB LYS A 46 13.655 -1.865 -5.687 1.00 0.00 C ATOM 566 CG LYS A 46 13.029 -3.210 -5.364 1.00 0.00 C ATOM 567 CD LYS A 46 13.984 -4.355 -5.658 1.00 0.00 C ATOM 568 CE LYS A 46 13.669 -5.015 -6.991 1.00 0.00 C ATOM 569 NZ LYS A 46 13.432 -4.011 -8.065 1.00 0.00 N ATOM 0 H LYS A 46 12.593 0.909 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 46 13.618 -1.388 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.132 -1.430 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.689 -2.024 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.742 -3.236 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.117 -3.337 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.008 -3.982 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.922 -5.096 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.495 -5.666 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.788 -5.647 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.557 -4.461 -8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.463 -3.641 -7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.110 -3.229 -7.965 1.00 0.00 H new ATOM 583 N SER A 47 15.750 -0.165 -3.581 1.00 0.00 N ATOM 584 CA SER A 47 17.019 0.551 -3.529 1.00 0.00 C ATOM 585 C SER A 47 18.103 -0.294 -4.173 1.00 0.00 C ATOM 586 O SER A 47 18.132 -1.505 -3.975 1.00 0.00 O ATOM 587 CB SER A 47 17.395 0.845 -2.078 1.00 0.00 C ATOM 588 OG SER A 47 18.059 2.086 -1.952 1.00 0.00 O ATOM 0 H SER A 47 15.587 -0.786 -2.789 1.00 0.00 H new ATOM 0 HA SER A 47 16.920 1.493 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.495 0.849 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.036 0.049 -1.700 1.00 0.00 H new ATOM 0 HG SER A 47 18.473 2.324 -2.808 1.00 0.00 H new ATOM 594 N TYR A 48 18.984 0.320 -4.958 1.00 0.00 N ATOM 595 CA TYR A 48 20.049 -0.462 -5.597 1.00 0.00 C ATOM 596 C TYR A 48 21.426 -0.037 -5.116 1.00 0.00 C ATOM 597 O TYR A 48 21.837 1.111 -5.282 1.00 0.00 O ATOM 598 CB TYR A 48 19.975 -0.398 -7.127 1.00 0.00 C ATOM 599 CG TYR A 48 18.570 -0.280 -7.662 1.00 0.00 C ATOM 600 CD1 TYR A 48 18.191 0.797 -8.452 1.00 0.00 C ATOM 601 CD2 TYR A 48 17.628 -1.258 -7.387 1.00 0.00 C ATOM 602 CE1 TYR A 48 16.905 0.901 -8.945 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.339 -1.164 -7.876 1.00 0.00 C ATOM 604 CZ TYR A 48 15.982 -0.082 -8.655 1.00 0.00 C ATOM 605 OH TYR A 48 14.700 0.016 -9.144 1.00 0.00 O ATOM 0 H TYR A 48 18.989 1.319 -5.165 1.00 0.00 H new ATOM 0 HA TYR A 48 19.888 -1.498 -5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.559 0.454 -7.475 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.438 -1.293 -7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.913 1.566 -8.685 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.906 -2.108 -6.781 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.624 1.747 -9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.615 -1.933 -7.650 1.00 0.00 H new ATOM 0 HH TYR A 48 14.177 -0.758 -8.849 1.00 0.00 H new ATOM 615 N CYS A 49 22.134 -0.990 -4.521 1.00 0.00 N ATOM 616 CA CYS A 49 23.477 -0.748 -4.012 1.00 0.00 C ATOM 617 C CYS A 49 24.461 -0.554 -5.157 1.00 0.00 C ATOM 618 O CYS A 49 24.747 -1.486 -5.909 1.00 0.00 O ATOM 619 CB CYS A 49 23.929 -1.915 -3.129 1.00 0.00 C ATOM 620 SG CYS A 49 25.675 -1.830 -2.614 1.00 0.00 S ATOM 0 H CYS A 49 21.797 -1.942 -4.379 1.00 0.00 H new ATOM 0 HA CYS A 49 23.455 0.163 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.301 -1.947 -2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.766 -2.848 -3.668 1.00 0.00 H new ATOM 625 N GLU A 50 24.982 0.660 -5.281 1.00 0.00 N ATOM 626 CA GLU A 50 25.940 0.972 -6.333 1.00 0.00 C ATOM 627 C GLU A 50 27.051 1.872 -5.806 1.00 0.00 C ATOM 628 O GLU A 50 27.154 2.107 -4.602 1.00 0.00 O ATOM 629 CB GLU A 50 25.234 1.642 -7.512 1.00 0.00 C ATOM 630 CG GLU A 50 25.344 0.856 -8.809 1.00 0.00 C ATOM 631 CD GLU A 50 24.053 0.855 -9.603 1.00 0.00 C ATOM 632 OE1 GLU A 50 24.122 0.882 -10.850 1.00 0.00 O ATOM 633 OE2 GLU A 50 22.972 0.825 -8.978 1.00 0.00 O ATOM 0 H GLU A 50 24.758 1.443 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 50 26.387 0.038 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.181 1.777 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.656 2.636 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 50 26.141 1.280 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.628 -0.172 -8.583 1.00 0.00 H new ATOM 640 N LEU A 51 27.886 2.364 -6.713 1.00 0.00 N ATOM 641 CA LEU A 51 28.996 3.230 -6.336 1.00 0.00 C ATOM 642 C LEU A 51 28.662 4.694 -6.600 1.00 0.00 C ATOM 643 O LEU A 51 28.004 5.024 -7.587 1.00 0.00 O ATOM 644 CB LEU A 51 30.261 2.833 -7.100 1.00 0.00 C ATOM 645 CG LEU A 51 30.275 3.229 -8.575 1.00 0.00 C ATOM 646 CD1 LEU A 51 29.544 2.191 -9.413 1.00 0.00 C ATOM 647 CD2 LEU A 51 31.703 3.407 -9.065 1.00 0.00 C ATOM 0 H LEU A 51 27.816 2.178 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 51 29.173 3.108 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.122 3.288 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 51 30.387 1.753 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 51 29.756 4.181 -8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 51 29.564 2.490 -10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.034 1.223 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.510 2.115 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.694 3.689 -10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.192 4.189 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.248 2.471 -8.945 1.00 0.00 H new ATOM 659 N GLY A 52 29.123 5.569 -5.713 1.00 0.00 N ATOM 660 CA GLY A 52 28.868 6.988 -5.870 1.00 0.00 C ATOM 661 C GLY A 52 29.534 7.562 -7.105 1.00 0.00 C ATOM 662 O GLY A 52 29.685 6.873 -8.114 1.00 0.00 O ATOM 0 H GLY A 52 29.669 5.320 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.793 7.157 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.226 7.518 -4.988 1.00 0.00 H new ATOM 666 N SER A 53 29.934 8.827 -7.026 1.00 0.00 N ATOM 667 CA SER A 53 30.589 9.492 -8.146 1.00 0.00 C ATOM 668 C SER A 53 32.103 9.331 -8.063 1.00 0.00 C ATOM 669 O SER A 53 32.775 9.151 -9.079 1.00 0.00 O ATOM 670 CB SER A 53 30.223 10.977 -8.167 1.00 0.00 C ATOM 671 OG SER A 53 29.335 11.269 -9.232 1.00 0.00 O ATOM 0 H SER A 53 29.816 9.412 -6.199 1.00 0.00 H new ATOM 0 HA SER A 53 30.242 9.026 -9.068 1.00 0.00 H new ATOM 0 HB2 SER A 53 29.762 11.255 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 53 31.128 11.576 -8.269 1.00 0.00 H new ATOM 0 HG SER A 53 29.115 12.224 -9.222 1.00 0.00 H new ATOM 677 N THR A 54 32.634 9.395 -6.847 1.00 0.00 N ATOM 678 CA THR A 54 34.069 9.252 -6.630 1.00 0.00 C ATOM 679 C THR A 54 34.415 7.827 -6.213 1.00 0.00 C ATOM 680 O THR A 54 35.430 7.590 -5.557 1.00 0.00 O ATOM 681 CB THR A 54 34.542 10.239 -5.560 1.00 0.00 C ATOM 682 OG1 THR A 54 34.224 9.762 -4.264 1.00 0.00 O ATOM 683 CG2 THR A 54 33.935 11.617 -5.706 1.00 0.00 C ATOM 0 H THR A 54 32.092 9.545 -5.996 1.00 0.00 H new ATOM 0 HA THR A 54 34.579 9.470 -7.568 1.00 0.00 H new ATOM 0 HB THR A 54 35.620 10.320 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 54 34.535 10.405 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 54 34.313 12.266 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 54 34.205 12.032 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.850 11.547 -5.630 1.00 0.00 H new ATOM 691 N GLY A 55 33.567 6.879 -6.601 1.00 0.00 N ATOM 692 CA GLY A 55 33.794 5.489 -6.250 1.00 0.00 C ATOM 693 C GLY A 55 33.357 5.177 -4.832 1.00 0.00 C ATOM 694 O GLY A 55 33.816 4.205 -4.232 1.00 0.00 O ATOM 0 H GLY A 55 32.726 7.049 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 55 33.252 4.848 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.853 5.256 -6.361 1.00 0.00 H new ATOM 698 N SER A 56 32.464 6.004 -4.300 1.00 0.00 N ATOM 699 CA SER A 56 31.972 5.838 -2.945 1.00 0.00 C ATOM 700 C SER A 56 30.863 4.794 -2.879 1.00 0.00 C ATOM 701 O SER A 56 30.539 4.148 -3.875 1.00 0.00 O ATOM 702 CB SER A 56 31.448 7.177 -2.432 1.00 0.00 C ATOM 703 OG SER A 56 31.416 8.145 -3.467 1.00 0.00 O ATOM 0 H SER A 56 32.065 6.802 -4.795 1.00 0.00 H new ATOM 0 HA SER A 56 32.796 5.493 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 56 30.447 7.046 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 56 32.081 7.531 -1.619 1.00 0.00 H new ATOM 0 HG SER A 56 32.313 8.519 -3.593 1.00 0.00 H new ATOM 709 N MET A 57 30.279 4.647 -1.695 1.00 0.00 N ATOM 710 CA MET A 57 29.183 3.712 -1.488 1.00 0.00 C ATOM 711 C MET A 57 27.868 4.467 -1.365 1.00 0.00 C ATOM 712 O MET A 57 27.763 5.431 -0.606 1.00 0.00 O ATOM 713 CB MET A 57 29.422 2.872 -0.230 1.00 0.00 C ATOM 714 CG MET A 57 30.867 2.435 -0.051 1.00 0.00 C ATOM 715 SD MET A 57 31.283 2.110 1.673 1.00 0.00 S ATOM 716 CE MET A 57 32.957 1.493 1.510 1.00 0.00 C ATOM 0 H MET A 57 30.549 5.167 -0.860 1.00 0.00 H new ATOM 0 HA MET A 57 29.132 3.044 -2.348 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.115 3.447 0.644 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.786 1.987 -0.269 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.047 1.536 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.528 3.209 -0.441 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.352 1.248 2.496 1.00 0.00 H new ATOM 0 HE2 MET A 57 32.956 0.599 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.583 2.257 1.048 1.00 0.00 H new ATOM 726 N VAL A 58 26.874 4.041 -2.130 1.00 0.00 N ATOM 727 CA VAL A 58 25.575 4.697 -2.123 1.00 0.00 C ATOM 728 C VAL A 58 24.457 3.706 -2.410 1.00 0.00 C ATOM 729 O VAL A 58 24.707 2.533 -2.689 1.00 0.00 O ATOM 730 CB VAL A 58 25.518 5.826 -3.165 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.181 7.086 -2.629 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.176 5.376 -4.457 1.00 0.00 C ATOM 0 H VAL A 58 26.942 3.244 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 58 25.437 5.118 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 58 24.473 6.059 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.130 7.873 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.664 7.413 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.224 6.876 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.130 6.183 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.218 5.119 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.653 4.503 -4.847 1.00 0.00 H new ATOM 742 N TRP A 59 23.225 4.190 -2.354 1.00 0.00 N ATOM 743 CA TRP A 59 22.065 3.352 -2.611 1.00 0.00 C ATOM 744 C TRP A 59 21.105 4.030 -3.581 1.00 0.00 C ATOM 745 O TRP A 59 20.650 5.149 -3.341 1.00 0.00 O ATOM 746 CB TRP A 59 21.335 3.043 -1.304 1.00 0.00 C ATOM 747 CG TRP A 59 21.954 1.930 -0.515 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.897 2.046 0.465 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.653 0.534 -0.620 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.207 0.807 0.971 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.458 -0.138 0.320 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.787 -0.216 -1.423 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.418 -1.521 0.477 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.753 -1.587 -1.264 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.559 -2.225 -0.321 1.00 0.00 C ATOM 0 H TRP A 59 23.003 5.161 -2.132 1.00 0.00 H new ATOM 0 HA TRP A 59 22.416 2.423 -3.059 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.313 3.943 -0.689 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.300 2.785 -1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.336 2.976 0.795 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.884 0.621 1.711 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.157 0.269 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.043 -2.020 1.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.090 -2.176 -1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.503 -3.299 -0.219 1.00 0.00 H new ATOM 766 N ASN A 60 20.772 3.332 -4.658 1.00 0.00 N ATOM 767 CA ASN A 60 19.831 3.850 -5.643 1.00 0.00 C ATOM 768 C ASN A 60 18.438 3.907 -5.032 1.00 0.00 C ATOM 769 O ASN A 60 18.246 3.392 -3.937 1.00 0.00 O ATOM 770 CB ASN A 60 19.837 2.962 -6.877 1.00 0.00 C ATOM 771 CG ASN A 60 20.582 3.591 -8.038 1.00 0.00 C ATOM 772 OD1 ASN A 60 20.418 4.777 -8.326 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.413 2.801 -8.706 1.00 0.00 N ATOM 0 H ASN A 60 21.139 2.405 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 60 20.127 4.856 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.296 2.005 -6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.810 2.755 -7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.947 3.171 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.518 1.824 -8.433 1.00 0.00 H new ATOM 780 N PRO A 61 17.471 4.582 -5.705 1.00 0.00 N ATOM 781 CA PRO A 61 16.091 4.753 -5.256 1.00 0.00 C ATOM 782 C PRO A 61 15.697 3.894 -4.055 1.00 0.00 C ATOM 783 O PRO A 61 15.191 2.783 -4.201 1.00 0.00 O ATOM 784 CB PRO A 61 15.347 4.365 -6.525 1.00 0.00 C ATOM 785 CG PRO A 61 16.219 4.897 -7.637 1.00 0.00 C ATOM 786 CD PRO A 61 17.594 5.162 -7.043 1.00 0.00 C ATOM 0 HA PRO A 61 15.880 5.752 -4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.220 3.285 -6.599 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.350 4.805 -6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.285 4.177 -8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.797 5.812 -8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.386 4.686 -7.622 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.823 6.227 -7.005 1.00 0.00 H new ATOM 794 N GLU A 62 15.933 4.445 -2.864 1.00 0.00 N ATOM 795 CA GLU A 62 15.668 3.737 -1.610 1.00 0.00 C ATOM 796 C GLU A 62 14.204 3.852 -1.165 1.00 0.00 C ATOM 797 O GLU A 62 13.363 3.074 -1.609 1.00 0.00 O ATOM 798 CB GLU A 62 16.613 4.212 -0.498 1.00 0.00 C ATOM 799 CG GLU A 62 16.910 5.694 -0.539 1.00 0.00 C ATOM 800 CD GLU A 62 18.268 6.005 -1.136 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.316 6.716 -2.162 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.282 5.536 -0.579 1.00 0.00 O ATOM 0 H GLU A 62 16.309 5.385 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 62 15.859 2.681 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.174 3.966 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.551 3.661 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.138 6.198 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.862 6.098 0.472 1.00 0.00 H new ATOM 809 N ALA A 63 13.912 4.781 -0.249 1.00 0.00 N ATOM 810 CA ALA A 63 12.569 4.916 0.308 1.00 0.00 C ATOM 811 C ALA A 63 11.654 5.773 -0.564 1.00 0.00 C ATOM 812 O ALA A 63 11.801 6.994 -0.614 1.00 0.00 O ATOM 813 CB ALA A 63 12.648 5.505 1.708 1.00 0.00 C ATOM 0 H ALA A 63 14.589 5.448 0.120 1.00 0.00 H new ATOM 0 HA ALA A 63 12.134 3.917 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.643 5.603 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.238 4.848 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.120 6.487 1.664 1.00 0.00 H new ATOM 819 N PRO A 64 10.647 5.154 -1.210 1.00 0.00 N ATOM 820 CA PRO A 64 9.666 5.870 -2.023 1.00 0.00 C ATOM 821 C PRO A 64 8.611 6.540 -1.147 1.00 0.00 C ATOM 822 O PRO A 64 8.865 6.840 0.019 1.00 0.00 O ATOM 823 CB PRO A 64 9.021 4.763 -2.879 1.00 0.00 C ATOM 824 CG PRO A 64 9.761 3.505 -2.550 1.00 0.00 C ATOM 825 CD PRO A 64 10.363 3.716 -1.195 1.00 0.00 C ATOM 0 HA PRO A 64 10.119 6.664 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.960 4.662 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.099 4.995 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.089 2.647 -2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.534 3.303 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.674 3.444 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.266 3.123 -1.053 1.00 0.00 H new ATOM 833 N ILE A 65 7.418 6.738 -1.697 1.00 0.00 N ATOM 834 CA ILE A 65 6.322 7.328 -0.941 1.00 0.00 C ATOM 835 C ILE A 65 5.457 6.237 -0.322 1.00 0.00 C ATOM 836 O ILE A 65 5.581 5.065 -0.671 1.00 0.00 O ATOM 837 CB ILE A 65 5.437 8.228 -1.819 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.289 8.987 -2.836 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.646 9.198 -0.958 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.121 10.092 -2.224 1.00 0.00 C ATOM 0 H ILE A 65 7.187 6.499 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 65 6.769 7.941 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 65 4.734 7.596 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.950 8.283 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.637 9.414 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.025 9.827 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.011 8.640 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.334 9.824 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.699 10.587 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.465 10.818 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.799 9.669 -1.483 1.00 0.00 H new ATOM 852 N CYS A 66 4.581 6.627 0.592 1.00 0.00 N ATOM 853 CA CYS A 66 3.700 5.675 1.254 1.00 0.00 C ATOM 854 C CYS A 66 2.565 6.392 1.978 1.00 0.00 C ATOM 855 O CYS A 66 2.787 7.386 2.669 1.00 0.00 O ATOM 856 CB CYS A 66 4.494 4.825 2.245 1.00 0.00 C ATOM 857 SG CYS A 66 4.915 3.162 1.631 1.00 0.00 S ATOM 0 H CYS A 66 4.461 7.594 0.892 1.00 0.00 H new ATOM 0 HA CYS A 66 3.266 5.028 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.415 5.350 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.918 4.726 3.165 1.00 0.00 H new ATOM 862 N GLU A 67 1.351 5.878 1.818 1.00 0.00 N ATOM 863 CA GLU A 67 0.182 6.471 2.452 1.00 0.00 C ATOM 864 C GLU A 67 -0.932 5.442 2.613 1.00 0.00 C ATOM 865 O GLU A 67 -0.792 4.291 2.201 1.00 0.00 O ATOM 866 CB GLU A 67 -0.319 7.655 1.624 1.00 0.00 C ATOM 867 CG GLU A 67 -0.458 8.941 2.422 1.00 0.00 C ATOM 868 CD GLU A 67 -1.897 9.253 2.783 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.425 10.272 2.290 1.00 0.00 O ATOM 870 OE2 GLU A 67 -2.496 8.477 3.557 1.00 0.00 O ATOM 0 H GLU A 67 1.152 5.052 1.254 1.00 0.00 H new ATOM 0 HA GLU A 67 0.472 6.821 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.368 7.824 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.286 7.401 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.133 8.863 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.045 9.768 1.845 1.00 0.00 H new ATOM 877 N SER A 68 -2.039 5.867 3.213 1.00 0.00 N ATOM 878 CA SER A 68 -3.179 4.984 3.429 1.00 0.00 C ATOM 879 C SER A 68 -4.092 4.964 2.210 1.00 0.00 C ATOM 880 O SER A 68 -4.738 5.960 1.886 1.00 0.00 O ATOM 881 CB SER A 68 -3.966 5.429 4.663 1.00 0.00 C ATOM 882 OG SER A 68 -4.726 6.593 4.392 1.00 0.00 O ATOM 0 H SER A 68 -2.171 6.818 3.558 1.00 0.00 H new ATOM 0 HA SER A 68 -2.800 3.975 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.628 4.625 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.278 5.624 5.486 1.00 0.00 H new ATOM 0 HG SER A 68 -4.749 6.751 3.425 1.00 0.00 H new ATOM 888 N VAL A 69 -4.154 3.811 1.548 1.00 0.00 N ATOM 889 CA VAL A 69 -4.987 3.645 0.358 1.00 0.00 C ATOM 890 C VAL A 69 -6.364 4.276 0.544 1.00 0.00 C ATOM 891 O VAL A 69 -7.262 3.675 1.133 1.00 0.00 O ATOM 892 CB VAL A 69 -5.176 2.162 -0.023 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.093 1.261 1.199 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.161 1.745 -1.074 1.00 0.00 C ATOM 0 H VAL A 69 -3.635 2.975 1.816 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.455 4.152 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.174 2.051 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.230 0.223 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.117 1.375 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.873 1.538 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.311 0.696 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.289 2.357 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.153 1.882 -0.681 1.00 0.00 H new ATOM 904 N LYS A 70 -6.520 5.485 0.025 1.00 0.00 N ATOM 905 CA LYS A 70 -7.782 6.206 0.124 1.00 0.00 C ATOM 906 C LYS A 70 -8.841 5.588 -0.786 1.00 0.00 C ATOM 907 O LYS A 70 -8.772 5.717 -2.008 1.00 0.00 O ATOM 908 CB LYS A 70 -7.575 7.674 -0.250 1.00 0.00 C ATOM 909 CG LYS A 70 -7.213 8.558 0.931 1.00 0.00 C ATOM 910 CD LYS A 70 -8.389 9.418 1.359 1.00 0.00 C ATOM 911 CE LYS A 70 -8.354 9.714 2.849 1.00 0.00 C ATOM 912 NZ LYS A 70 -7.501 10.894 3.162 1.00 0.00 N ATOM 0 H LYS A 70 -5.785 5.990 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.131 6.137 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.786 7.742 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.486 8.054 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.891 7.937 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.371 9.197 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.377 10.354 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.321 8.910 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.368 9.894 3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.977 8.842 3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.504 11.062 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.528 10.713 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.875 11.732 2.673 1.00 0.00 H new ATOM 926 N CYS A 71 -9.820 4.915 -0.185 1.00 0.00 N ATOM 927 CA CYS A 71 -10.905 4.307 -0.951 1.00 0.00 C ATOM 928 C CYS A 71 -12.084 5.263 -1.039 1.00 0.00 C ATOM 929 O CYS A 71 -12.586 5.740 -0.022 1.00 0.00 O ATOM 930 CB CYS A 71 -11.373 2.976 -0.344 1.00 0.00 C ATOM 931 SG CYS A 71 -10.345 2.317 1.015 1.00 0.00 S ATOM 0 H CYS A 71 -9.884 4.778 0.824 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.515 4.101 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.391 3.104 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.413 2.230 -1.138 1.00 0.00 H new ATOM 936 N GLN A 72 -12.519 5.544 -2.257 1.00 0.00 N ATOM 937 CA GLN A 72 -13.644 6.443 -2.470 1.00 0.00 C ATOM 938 C GLN A 72 -14.960 5.740 -2.140 1.00 0.00 C ATOM 939 O GLN A 72 -14.981 4.778 -1.372 1.00 0.00 O ATOM 940 CB GLN A 72 -13.643 6.965 -3.912 1.00 0.00 C ATOM 941 CG GLN A 72 -14.218 5.988 -4.924 1.00 0.00 C ATOM 942 CD GLN A 72 -13.362 5.864 -6.169 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.720 6.365 -7.235 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.224 5.192 -6.040 1.00 0.00 N ATOM 0 H GLN A 72 -12.112 5.164 -3.112 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.542 7.297 -1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.215 7.892 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.620 7.209 -4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.320 5.007 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.219 6.312 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.967 4.793 -5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.607 5.075 -6.844 1.00 0.00 H new ATOM 953 N SER A 73 -16.054 6.217 -2.726 1.00 0.00 N ATOM 954 CA SER A 73 -17.365 5.630 -2.485 1.00 0.00 C ATOM 955 C SER A 73 -17.323 4.108 -2.637 1.00 0.00 C ATOM 956 O SER A 73 -16.694 3.588 -3.559 1.00 0.00 O ATOM 957 CB SER A 73 -18.387 6.223 -3.457 1.00 0.00 C ATOM 958 OG SER A 73 -19.452 5.320 -3.699 1.00 0.00 O ATOM 0 H SER A 73 -16.057 7.008 -3.370 1.00 0.00 H new ATOM 0 HA SER A 73 -17.660 5.862 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.782 7.154 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.896 6.470 -4.398 1.00 0.00 H new ATOM 0 HG SER A 73 -20.301 5.742 -3.452 1.00 0.00 H new ATOM 964 N PRO A 74 -17.999 3.371 -1.736 1.00 0.00 N ATOM 965 CA PRO A 74 -18.033 1.905 -1.787 1.00 0.00 C ATOM 966 C PRO A 74 -18.659 1.391 -3.082 1.00 0.00 C ATOM 967 O PRO A 74 -19.325 2.139 -3.799 1.00 0.00 O ATOM 968 CB PRO A 74 -18.890 1.510 -0.576 1.00 0.00 C ATOM 969 CG PRO A 74 -18.910 2.714 0.303 1.00 0.00 C ATOM 970 CD PRO A 74 -18.779 3.901 -0.606 1.00 0.00 C ATOM 0 HA PRO A 74 -17.032 1.475 -1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.898 1.230 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.465 0.651 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.837 2.763 0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.092 2.683 1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.752 4.272 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.267 4.729 -0.116 1.00 0.00 H new ATOM 978 N PRO A 75 -18.443 0.104 -3.405 1.00 0.00 N ATOM 979 CA PRO A 75 -18.971 -0.508 -4.622 1.00 0.00 C ATOM 980 C PRO A 75 -20.379 -0.036 -4.960 1.00 0.00 C ATOM 981 O PRO A 75 -21.125 0.409 -4.088 1.00 0.00 O ATOM 982 CB PRO A 75 -18.975 -1.992 -4.276 1.00 0.00 C ATOM 983 CG PRO A 75 -17.823 -2.165 -3.345 1.00 0.00 C ATOM 984 CD PRO A 75 -17.653 -0.855 -2.613 1.00 0.00 C ATOM 0 HA PRO A 75 -18.378 -0.251 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -19.913 -2.287 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.859 -2.607 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.011 -2.978 -2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.917 -2.421 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.017 -0.921 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.605 -0.561 -2.560 1.00 0.00 H new ATOM 992 N SER A 76 -20.732 -0.141 -6.235 1.00 0.00 N ATOM 993 CA SER A 76 -22.053 0.258 -6.700 1.00 0.00 C ATOM 994 C SER A 76 -22.872 -0.965 -7.092 1.00 0.00 C ATOM 995 O SER A 76 -22.846 -1.398 -8.245 1.00 0.00 O ATOM 996 CB SER A 76 -21.932 1.210 -7.891 1.00 0.00 C ATOM 997 OG SER A 76 -21.552 2.508 -7.469 1.00 0.00 O ATOM 0 H SER A 76 -20.119 -0.500 -6.967 1.00 0.00 H new ATOM 0 HA SER A 76 -22.562 0.774 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 76 -21.196 0.824 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.884 1.260 -8.419 1.00 0.00 H new ATOM 0 HG SER A 76 -21.480 3.097 -8.249 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.599 -1.517 -6.128 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.414 -2.700 -6.373 1.00 0.00 C ATOM 1005 C ILE A 77 -25.592 -2.375 -7.277 1.00 0.00 C ATOM 1006 O ILE A 77 -25.821 -1.218 -7.628 1.00 0.00 O ATOM 1007 CB ILE A 77 -24.951 -3.303 -5.060 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -25.916 -2.331 -4.376 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -23.804 -3.659 -4.130 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -26.749 -2.972 -3.287 1.00 0.00 C ATOM 0 H ILE A 77 -23.641 -1.165 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 77 -23.766 -3.428 -6.861 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.497 -4.216 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.346 -1.506 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.581 -1.903 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.201 -4.083 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.155 -4.388 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.231 -2.761 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.409 -2.225 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.346 -3.778 -3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.092 -3.375 -2.516 1.00 0.00 H new ATOM 1022 N SER A 78 -26.343 -3.404 -7.643 1.00 0.00 N ATOM 1023 CA SER A 78 -27.516 -3.225 -8.481 1.00 0.00 C ATOM 1024 C SER A 78 -28.766 -3.127 -7.627 1.00 0.00 C ATOM 1025 O SER A 78 -28.871 -3.779 -6.587 1.00 0.00 O ATOM 1026 CB SER A 78 -27.659 -4.386 -9.464 1.00 0.00 C ATOM 1027 OG SER A 78 -28.238 -3.956 -10.684 1.00 0.00 O ATOM 0 H SER A 78 -26.160 -4.370 -7.372 1.00 0.00 H new ATOM 0 HA SER A 78 -27.391 -2.299 -9.043 1.00 0.00 H new ATOM 0 HB2 SER A 78 -26.680 -4.825 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 78 -28.276 -5.167 -9.021 1.00 0.00 H new ATOM 0 HG SER A 78 -28.317 -4.718 -11.295 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.720 -2.325 -8.071 1.00 0.00 N ATOM 1034 CA ASN A 79 -30.976 -2.190 -7.359 1.00 0.00 C ATOM 1035 C ASN A 79 -30.750 -1.688 -5.938 1.00 0.00 C ATOM 1036 O ASN A 79 -31.532 -1.979 -5.033 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.697 -3.541 -7.333 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.575 -4.288 -8.644 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -32.394 -4.116 -9.547 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -30.550 -5.120 -8.758 1.00 0.00 N ATOM 0 H ASN A 79 -29.648 -1.761 -8.918 1.00 0.00 H new ATOM 0 HA ASN A 79 -31.593 -1.457 -7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.286 -4.153 -6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.751 -3.382 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -30.416 -5.649 -9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -29.895 -5.232 -7.984 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.678 -0.925 -5.750 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.374 -0.388 -4.438 1.00 0.00 C ATOM 1049 C GLY A 80 -28.256 0.636 -4.459 1.00 0.00 C ATOM 1050 O GLY A 80 -27.940 1.200 -5.506 1.00 0.00 O ATOM 0 H GLY A 80 -29.016 -0.670 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.271 0.071 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.097 -1.206 -3.772 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.671 0.888 -3.292 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.601 1.868 -3.163 1.00 0.00 C ATOM 1056 C ARG A 81 -25.951 1.788 -1.788 1.00 0.00 C ATOM 1057 O ARG A 81 -26.285 0.923 -0.979 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.143 3.282 -3.397 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.523 3.521 -2.801 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.286 4.583 -3.575 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.154 5.375 -2.708 1.00 0.00 N ATOM 1062 CZ ARG A 81 -29.708 6.305 -1.869 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.562 6.982 -1.113 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -28.409 6.559 -1.785 1.00 0.00 N ATOM 0 H ARG A 81 -27.922 0.424 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 81 -25.847 1.643 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.445 4.003 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.184 3.472 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.089 2.589 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.423 3.829 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.579 5.242 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -29.886 4.106 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.159 5.205 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -31.562 6.789 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -30.219 7.695 -0.470 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -27.749 6.040 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -28.070 7.273 -1.141 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.029 2.705 -1.531 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.325 2.752 -0.254 1.00 0.00 C ATOM 1080 C HIS A 82 -24.840 3.898 0.612 1.00 0.00 C ATOM 1081 O HIS A 82 -25.684 4.684 0.181 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.823 2.920 -0.489 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.490 4.078 -1.377 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.728 5.391 -1.024 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -21.950 4.118 -2.618 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.341 6.186 -2.005 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.867 5.439 -2.983 1.00 0.00 N ATOM 0 H HIS A 82 -24.749 3.430 -2.192 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.508 1.813 0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.324 3.052 0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.427 2.006 -0.931 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -23.139 5.699 -0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.642 3.269 -3.210 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.402 7.264 -2.006 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.320 3.993 1.833 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.715 5.057 2.754 1.00 0.00 C ATOM 1098 C ASN A 83 -23.488 5.717 3.365 1.00 0.00 C ATOM 1099 O ASN A 83 -23.105 5.407 4.493 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.604 4.520 3.880 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.397 3.290 3.485 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.941 3.212 2.383 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.460 2.316 4.386 1.00 0.00 N ATOM 0 H ASN A 83 -23.625 3.347 2.208 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.280 5.790 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.981 4.281 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -26.294 5.303 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.975 1.460 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.994 2.424 5.287 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.874 6.625 2.621 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.696 7.301 3.122 1.00 0.00 C ATOM 1112 C GLY A 84 -21.948 8.767 3.415 1.00 0.00 C ATOM 1113 O GLY A 84 -22.799 9.396 2.785 1.00 0.00 O ATOM 0 H GLY A 84 -23.168 6.904 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.356 6.805 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.892 7.213 2.391 1.00 0.00 H new ATOM 1117 N TYR A 85 -21.210 9.310 4.377 1.00 0.00 N ATOM 1118 CA TYR A 85 -21.351 10.710 4.751 1.00 0.00 C ATOM 1119 C TYR A 85 -20.167 11.520 4.244 1.00 0.00 C ATOM 1120 O TYR A 85 -20.284 12.716 3.977 1.00 0.00 O ATOM 1121 CB TYR A 85 -21.463 10.841 6.270 1.00 0.00 C ATOM 1122 CG TYR A 85 -22.376 9.816 6.900 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -23.704 10.116 7.175 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -21.911 8.546 7.218 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -24.543 9.181 7.750 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -22.743 7.605 7.794 1.00 0.00 C ATOM 1127 CZ TYR A 85 -24.058 7.927 8.057 1.00 0.00 C ATOM 1128 OH TYR A 85 -24.890 6.993 8.631 1.00 0.00 O ATOM 0 H TYR A 85 -20.507 8.800 4.912 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.260 11.100 4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -20.469 10.748 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -21.827 11.839 6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -24.087 11.097 6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.882 8.290 7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -25.573 9.431 7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.366 6.623 8.037 1.00 0.00 H new ATOM 0 HH TYR A 85 -24.393 6.162 8.783 1.00 0.00 H new ATOM 1138 N GLU A 86 -19.029 10.854 4.109 1.00 0.00 N ATOM 1139 CA GLU A 86 -17.816 11.496 3.632 1.00 0.00 C ATOM 1140 C GLU A 86 -17.663 11.314 2.127 1.00 0.00 C ATOM 1141 O GLU A 86 -18.566 10.811 1.458 1.00 0.00 O ATOM 1142 CB GLU A 86 -16.600 10.913 4.353 1.00 0.00 C ATOM 1143 CG GLU A 86 -16.140 11.744 5.539 1.00 0.00 C ATOM 1144 CD GLU A 86 -14.714 12.235 5.388 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -13.783 11.431 5.605 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -14.528 13.424 5.052 1.00 0.00 O ATOM 0 H GLU A 86 -18.922 9.863 4.325 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.885 12.563 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.840 9.907 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.777 10.821 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.804 12.600 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.221 11.149 6.448 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.514 11.717 1.602 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.237 11.585 0.178 1.00 0.00 C ATOM 1155 C ASP A 87 -15.146 10.550 -0.075 1.00 0.00 C ATOM 1156 O ASP A 87 -15.021 10.026 -1.183 1.00 0.00 O ATOM 1157 CB ASP A 87 -15.821 12.935 -0.409 1.00 0.00 C ATOM 1158 CG ASP A 87 -16.988 13.684 -1.024 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.800 14.299 -2.094 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -18.088 13.655 -0.434 1.00 0.00 O ATOM 0 H ASP A 87 -15.758 12.139 2.141 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.150 11.248 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.373 13.546 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -15.054 12.777 -1.167 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.361 10.253 0.956 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.279 9.288 0.836 1.00 0.00 C ATOM 1167 C PHE A 88 -13.209 8.381 2.060 1.00 0.00 C ATOM 1168 O PHE A 88 -13.843 8.646 3.082 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.947 10.013 0.653 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.556 10.196 -0.780 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.745 9.268 -1.408 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.995 11.295 -1.499 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.379 9.429 -2.726 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.632 11.463 -2.820 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.822 10.529 -3.436 1.00 0.00 C ATOM 0 H PHE A 88 -14.456 10.668 1.883 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.478 8.668 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.006 10.990 1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.165 9.453 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.395 8.407 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.628 12.028 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.746 8.696 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.981 12.324 -3.371 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.536 10.658 -4.469 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.430 7.311 1.946 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.266 6.359 3.038 1.00 0.00 C ATOM 1187 C TYR A 89 -10.837 5.825 3.071 1.00 0.00 C ATOM 1188 O TYR A 89 -10.092 5.963 2.101 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.257 5.203 2.888 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.704 5.643 2.856 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.279 6.141 1.691 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.497 5.564 3.995 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.601 6.541 1.663 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.819 5.964 3.974 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.366 6.451 2.806 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.682 6.851 2.782 1.00 0.00 O ATOM 0 H TYR A 89 -11.901 7.081 1.105 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.467 6.874 3.977 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.031 4.659 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.117 4.506 3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.682 6.216 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.072 5.183 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.033 6.922 0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.421 5.896 4.868 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.079 6.722 3.668 1.00 0.00 H new ATOM 1206 N THR A 90 -10.454 5.223 4.193 1.00 0.00 N ATOM 1207 CA THR A 90 -9.106 4.689 4.344 1.00 0.00 C ATOM 1208 C THR A 90 -9.133 3.236 4.805 1.00 0.00 C ATOM 1209 O THR A 90 -10.200 2.655 5.002 1.00 0.00 O ATOM 1210 CB THR A 90 -8.311 5.534 5.340 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.079 5.794 6.503 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.868 6.864 4.774 1.00 0.00 C ATOM 0 H THR A 90 -11.055 5.093 5.007 1.00 0.00 H new ATOM 0 HA THR A 90 -8.621 4.728 3.369 1.00 0.00 H new ATOM 0 HB THR A 90 -7.425 4.945 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.553 6.334 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.309 7.414 5.531 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.232 6.696 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.743 7.443 4.477 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.950 2.654 4.972 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.833 1.271 5.407 1.00 0.00 C ATOM 1222 C ASP A 91 -8.381 1.098 6.811 1.00 0.00 C ATOM 1223 O ASP A 91 -7.683 1.318 7.801 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.379 0.807 5.354 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.449 1.719 6.130 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -4.243 1.407 6.212 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.928 2.746 6.656 1.00 0.00 O ATOM 0 H ASP A 91 -7.058 3.122 4.812 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.421 0.657 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.309 -0.204 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.054 0.761 4.315 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.640 0.705 6.882 1.00 0.00 N ATOM 1233 CA GLY A 92 -10.279 0.483 8.162 1.00 0.00 C ATOM 1234 C GLY A 92 -11.576 1.254 8.322 1.00 0.00 C ATOM 1235 O GLY A 92 -11.968 1.593 9.438 1.00 0.00 O ATOM 0 H GLY A 92 -10.236 0.534 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.479 -0.582 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.592 0.770 8.959 1.00 0.00 H new ATOM 1239 N SER A 93 -12.249 1.529 7.208 1.00 0.00 N ATOM 1240 CA SER A 93 -13.517 2.248 7.243 1.00 0.00 C ATOM 1241 C SER A 93 -14.677 1.298 6.976 1.00 0.00 C ATOM 1242 O SER A 93 -14.483 0.202 6.450 1.00 0.00 O ATOM 1243 CB SER A 93 -13.518 3.380 6.214 1.00 0.00 C ATOM 1244 OG SER A 93 -12.198 3.741 5.848 1.00 0.00 O ATOM 0 H SER A 93 -11.938 1.265 6.273 1.00 0.00 H new ATOM 0 HA SER A 93 -13.639 2.678 8.237 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.072 3.069 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.035 4.248 6.624 1.00 0.00 H new ATOM 0 HG SER A 93 -11.842 3.083 5.215 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.883 1.717 7.345 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.063 0.888 7.147 1.00 0.00 C ATOM 1252 C VAL A 94 -18.215 1.691 6.552 1.00 0.00 C ATOM 1253 O VAL A 94 -18.316 2.902 6.747 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.519 0.234 8.470 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.429 -0.680 9.004 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.820 -0.537 8.284 1.00 0.00 C ATOM 0 H VAL A 94 -16.067 2.621 7.780 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.783 0.103 6.444 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.703 1.026 9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.761 -1.136 9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.219 -1.461 8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.524 -0.100 9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.116 -0.986 9.232 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.601 0.144 7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.675 -1.321 7.541 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.077 0.994 5.824 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.239 1.611 5.201 1.00 0.00 C ATOM 1268 C VAL A 95 -21.372 0.606 5.068 1.00 0.00 C ATOM 1269 O VAL A 95 -21.139 -0.585 4.866 1.00 0.00 O ATOM 1270 CB VAL A 95 -19.915 2.163 3.801 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.085 2.968 3.261 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.651 3.003 3.828 1.00 0.00 C ATOM 0 H VAL A 95 -18.991 -0.007 5.650 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.538 2.436 5.847 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.743 1.318 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.837 3.350 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.966 2.329 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.292 3.803 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.444 3.381 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.786 3.841 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.814 2.391 4.165 1.00 0.00 H new ATOM 1282 N THR A 96 -22.598 1.094 5.172 1.00 0.00 N ATOM 1283 CA THR A 96 -23.767 0.244 5.033 1.00 0.00 C ATOM 1284 C THR A 96 -24.408 0.455 3.670 1.00 0.00 C ATOM 1285 O THR A 96 -24.396 1.563 3.135 1.00 0.00 O ATOM 1286 CB THR A 96 -24.781 0.539 6.140 1.00 0.00 C ATOM 1287 OG1 THR A 96 -24.512 1.793 6.745 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.797 -0.507 7.233 1.00 0.00 C ATOM 0 H THR A 96 -22.808 2.076 5.352 1.00 0.00 H new ATOM 0 HA THR A 96 -23.451 -0.795 5.120 1.00 0.00 H new ATOM 0 HB THR A 96 -25.754 0.539 5.648 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.333 2.144 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 96 -25.538 -0.236 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.052 -1.476 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.812 -0.563 7.697 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.944 -0.613 3.101 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.586 -0.533 1.799 1.00 0.00 C ATOM 1298 C TYR A 97 -27.100 -0.474 1.951 1.00 0.00 C ATOM 1299 O TYR A 97 -27.647 -0.885 2.974 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.181 -1.724 0.933 1.00 0.00 C ATOM 1301 CG TYR A 97 -23.913 -1.491 0.149 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -22.761 -1.029 0.773 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -23.867 -1.735 -1.215 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.600 -0.815 0.060 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.708 -1.525 -1.937 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.577 -1.065 -1.295 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.421 -0.856 -2.010 1.00 0.00 O ATOM 0 H TYR A 97 -24.947 -1.543 3.519 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.256 0.382 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.050 -2.599 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -25.991 -1.952 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -22.775 -0.834 1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -24.751 -2.095 -1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -20.714 -0.454 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.688 -1.720 -2.999 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.530 -0.070 -2.585 1.00 0.00 H new ATOM 1317 N SER A 98 -27.770 0.066 0.941 1.00 0.00 N ATOM 1318 CA SER A 98 -29.221 0.201 0.982 1.00 0.00 C ATOM 1319 C SER A 98 -29.817 0.206 -0.419 1.00 0.00 C ATOM 1320 O SER A 98 -29.246 0.777 -1.346 1.00 0.00 O ATOM 1321 CB SER A 98 -29.611 1.484 1.713 1.00 0.00 C ATOM 1322 OG SER A 98 -29.388 2.624 0.901 1.00 0.00 O ATOM 0 H SER A 98 -27.335 0.416 0.087 1.00 0.00 H new ATOM 0 HA SER A 98 -29.620 -0.659 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 98 -30.662 1.438 1.999 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.034 1.571 2.633 1.00 0.00 H new ATOM 0 HG SER A 98 -28.564 3.072 1.185 1.00 0.00 H new ATOM 1328 N CYS A 99 -30.991 -0.397 -0.554 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.664 -0.490 -1.837 1.00 0.00 C ATOM 1330 C CYS A 99 -32.173 0.863 -2.316 1.00 0.00 C ATOM 1331 O CYS A 99 -32.268 1.816 -1.542 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.826 -1.464 -1.723 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.363 -3.039 -0.935 1.00 0.00 S ATOM 0 H CYS A 99 -31.498 -0.831 0.217 1.00 0.00 H new ATOM 0 HA CYS A 99 -30.941 -0.845 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.627 -0.999 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.223 -1.665 -2.718 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.516 0.929 -3.599 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.043 2.158 -4.190 1.00 0.00 C ATOM 1340 C ASN A 100 -34.570 2.153 -4.185 1.00 0.00 C ATOM 1341 O ASN A 100 -35.200 2.694 -3.276 1.00 0.00 O ATOM 1342 CB ASN A 100 -32.528 2.357 -5.625 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.214 1.056 -6.345 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -32.941 0.071 -6.216 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.127 1.050 -7.108 1.00 0.00 N ATOM 0 H ASN A 100 -32.439 0.148 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 100 -32.689 2.988 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.275 2.908 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -31.629 2.973 -5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.866 0.205 -7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -30.554 1.890 -7.185 1.00 0.00 H new ATOM 1352 N SER A 101 -35.157 1.538 -5.206 1.00 0.00 N ATOM 1353 CA SER A 101 -36.611 1.473 -5.333 1.00 0.00 C ATOM 1354 C SER A 101 -37.251 0.822 -4.109 1.00 0.00 C ATOM 1355 O SER A 101 -38.303 1.260 -3.642 1.00 0.00 O ATOM 1356 CB SER A 101 -36.997 0.697 -6.594 1.00 0.00 C ATOM 1357 OG SER A 101 -38.107 1.294 -7.241 1.00 0.00 O ATOM 0 H SER A 101 -34.648 1.076 -5.960 1.00 0.00 H new ATOM 0 HA SER A 101 -36.983 2.495 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.149 0.663 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.236 -0.334 -6.332 1.00 0.00 H new ATOM 0 HG SER A 101 -38.332 0.780 -8.045 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.627 -0.240 -3.607 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.153 -0.930 -2.447 1.00 0.00 C ATOM 1365 C GLY A 102 -36.876 -2.421 -2.479 1.00 0.00 C ATOM 1366 O GLY A 102 -37.742 -3.230 -2.146 1.00 0.00 O ATOM 0 H GLY A 102 -35.765 -0.634 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.715 -0.502 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.229 -0.765 -2.388 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.661 -2.779 -2.873 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.248 -4.170 -2.954 1.00 0.00 C ATOM 1372 C TYR A 103 -34.867 -4.700 -1.570 1.00 0.00 C ATOM 1373 O TYR A 103 -35.148 -4.056 -0.559 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.069 -4.270 -3.922 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.492 -4.390 -5.367 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.501 -5.621 -6.008 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -34.900 -3.273 -6.084 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -34.882 -5.733 -7.332 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -35.286 -3.377 -7.407 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.283 -4.610 -8.024 1.00 0.00 C ATOM 1381 OH TYR A 103 -35.671 -4.718 -9.339 1.00 0.00 O ATOM 0 H TYR A 103 -34.937 -2.114 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.073 -4.781 -3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.438 -3.389 -3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.461 -5.135 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.206 -6.506 -5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -34.916 -2.308 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -34.866 -6.695 -7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -35.588 -2.497 -7.955 1.00 0.00 H new ATOM 0 HH TYR A 103 -35.924 -3.834 -9.679 1.00 0.00 H new ATOM 1391 N SER A 104 -34.200 -5.853 -1.524 1.00 0.00 N ATOM 1392 CA SER A 104 -33.792 -6.442 -0.253 1.00 0.00 C ATOM 1393 C SER A 104 -32.275 -6.616 -0.171 1.00 0.00 C ATOM 1394 O SER A 104 -31.707 -7.508 -0.804 1.00 0.00 O ATOM 1395 CB SER A 104 -34.478 -7.794 -0.052 1.00 0.00 C ATOM 1396 OG SER A 104 -35.851 -7.727 -0.395 1.00 0.00 O ATOM 0 H SER A 104 -33.933 -6.393 -2.347 1.00 0.00 H new ATOM 0 HA SER A 104 -34.096 -5.757 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 104 -33.984 -8.550 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.375 -8.106 0.987 1.00 0.00 H new ATOM 0 HG SER A 104 -35.947 -7.762 -1.370 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.634 -5.778 0.645 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.194 -5.847 0.867 1.00 0.00 C ATOM 1404 C LEU A 105 -29.773 -7.278 1.164 1.00 0.00 C ATOM 1405 O LEU A 105 -30.211 -7.877 2.147 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.805 -4.934 2.037 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.657 -3.945 1.783 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -28.727 -3.363 0.380 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.308 -4.607 2.030 1.00 0.00 C ATOM 0 H LEU A 105 -32.099 -5.036 1.168 1.00 0.00 H new ATOM 0 HA LEU A 105 -29.682 -5.513 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.686 -4.365 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.532 -5.563 2.884 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.767 -3.121 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -27.901 -2.667 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -28.658 -4.168 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.672 -2.836 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.510 -3.888 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.254 -4.949 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.192 -5.459 1.360 1.00 0.00 H new ATOM 1421 N ILE A 106 -28.948 -7.827 0.292 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.483 -9.193 0.435 1.00 0.00 C ATOM 1423 C ILE A 106 -27.181 -9.247 1.217 1.00 0.00 C ATOM 1424 O ILE A 106 -26.413 -8.287 1.228 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.275 -9.841 -0.939 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -29.576 -9.809 -1.737 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.768 -11.266 -0.792 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.687 -10.624 -1.116 1.00 0.00 C ATOM 0 H ILE A 106 -28.584 -7.343 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.248 -9.744 0.982 1.00 0.00 H new ATOM 0 HB ILE A 106 -27.520 -9.271 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -29.907 -8.775 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.384 -10.180 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.628 -11.706 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.817 -11.261 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.495 -11.855 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.580 -10.555 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.376 -11.666 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.907 -10.240 -0.120 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.935 -10.381 1.856 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.728 -10.536 2.643 1.00 0.00 C ATOM 1442 C GLY A 107 -25.650 -9.528 3.770 1.00 0.00 C ATOM 1443 O GLY A 107 -26.598 -9.371 4.540 1.00 0.00 O ATOM 0 H GLY A 107 -27.548 -11.196 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.692 -11.544 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.857 -10.425 1.997 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.524 -8.835 3.858 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.327 -7.823 4.890 1.00 0.00 C ATOM 1449 C ASN A 108 -24.216 -6.433 4.272 1.00 0.00 C ATOM 1450 O ASN A 108 -23.415 -6.207 3.365 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.073 -8.130 5.709 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.000 -9.582 6.136 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -21.937 -10.201 6.096 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -24.134 -10.134 6.553 1.00 0.00 N ATOM 0 H ASN A 108 -23.731 -8.954 3.227 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.194 -7.842 5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.189 -7.883 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.056 -7.493 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.146 -11.108 6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -24.993 -9.584 6.570 1.00 0.00 H new ATOM 1461 N SER A 109 -25.030 -5.506 4.766 1.00 0.00 N ATOM 1462 CA SER A 109 -25.023 -4.137 4.270 1.00 0.00 C ATOM 1463 C SER A 109 -23.684 -3.466 4.554 1.00 0.00 C ATOM 1464 O SER A 109 -23.251 -2.579 3.819 1.00 0.00 O ATOM 1465 CB SER A 109 -26.158 -3.345 4.910 1.00 0.00 C ATOM 1466 OG SER A 109 -27.001 -4.184 5.680 1.00 0.00 O ATOM 0 H SER A 109 -25.704 -5.680 5.511 1.00 0.00 H new ATOM 0 HA SER A 109 -25.170 -4.159 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 109 -25.745 -2.561 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.743 -2.852 4.134 1.00 0.00 H new ATOM 0 HG SER A 109 -27.718 -3.649 6.080 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.026 -3.914 5.616 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.740 -3.354 5.992 1.00 0.00 C ATOM 1474 C GLY A 110 -20.636 -3.704 5.011 1.00 0.00 C ATOM 1475 O GLY A 110 -20.618 -4.800 4.449 1.00 0.00 O ATOM 0 H GLY A 110 -23.361 -4.659 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.827 -2.270 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.467 -3.716 6.983 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.709 -2.770 4.809 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.593 -2.976 3.891 1.00 0.00 C ATOM 1481 C VAL A 111 -17.305 -2.392 4.458 1.00 0.00 C ATOM 1482 O VAL A 111 -17.259 -1.221 4.824 1.00 0.00 O ATOM 1483 CB VAL A 111 -18.860 -2.330 2.526 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -17.915 -2.891 1.477 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.308 -2.521 2.109 1.00 0.00 C ATOM 0 H VAL A 111 -19.710 -1.861 5.271 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.487 -4.053 3.765 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.676 -1.259 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.119 -2.421 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -16.885 -2.687 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.062 -3.968 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.472 -2.054 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.530 -3.586 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -20.963 -2.060 2.848 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.254 -3.204 4.505 1.00 0.00 N ATOM 1496 CA LEU A 112 -14.972 -2.756 5.038 1.00 0.00 C ATOM 1497 C LEU A 112 -14.137 -2.056 3.972 1.00 0.00 C ATOM 1498 O LEU A 112 -13.905 -2.600 2.892 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.184 -3.941 5.607 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.718 -3.645 5.949 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.005 -4.914 6.389 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.629 -2.579 7.030 1.00 0.00 C ATOM 0 H LEU A 112 -16.264 -4.171 4.182 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.182 -2.042 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.687 -4.293 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.215 -4.757 4.886 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.224 -3.269 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.967 -4.684 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.498 -5.321 7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.038 -5.648 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.582 -2.381 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.102 -1.663 6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.139 -2.928 7.928 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.656 -0.864 4.303 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.783 -0.120 3.411 1.00 0.00 C ATOM 1516 C CYS A 113 -11.333 -0.453 3.732 1.00 0.00 C ATOM 1517 O CYS A 113 -10.805 -0.020 4.757 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.011 1.381 3.563 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.812 2.414 2.660 1.00 0.00 S ATOM 0 H CYS A 113 -13.858 -0.393 5.185 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.008 -0.401 2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.016 1.622 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -12.970 1.638 4.622 1.00 0.00 H new ATOM 1524 N SER A 114 -10.711 -1.261 2.886 1.00 0.00 N ATOM 1525 CA SER A 114 -9.337 -1.681 3.118 1.00 0.00 C ATOM 1526 C SER A 114 -8.609 -1.963 1.811 1.00 0.00 C ATOM 1527 O SER A 114 -9.228 -2.119 0.758 1.00 0.00 O ATOM 1528 CB SER A 114 -9.311 -2.926 4.007 1.00 0.00 C ATOM 1529 OG SER A 114 -7.983 -3.284 4.347 1.00 0.00 O ATOM 0 H SER A 114 -11.133 -1.637 2.037 1.00 0.00 H new ATOM 0 HA SER A 114 -8.820 -0.863 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.884 -2.740 4.915 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.793 -3.756 3.490 1.00 0.00 H new ATOM 0 HG SER A 114 -7.995 -4.081 4.917 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.286 -2.026 1.895 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.469 -2.298 0.725 1.00 0.00 C ATOM 1537 C GLY A 115 -6.886 -1.494 -0.492 1.00 0.00 C ATOM 1538 O GLY A 115 -6.748 -1.956 -1.625 1.00 0.00 O ATOM 0 H GLY A 115 -6.760 -1.893 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.427 -2.079 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.526 -3.360 0.488 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.385 -0.283 -0.263 1.00 0.00 N ATOM 1543 CA GLY A 116 -7.811 0.559 -1.364 1.00 0.00 C ATOM 1544 C GLY A 116 -9.036 0.018 -2.074 1.00 0.00 C ATOM 1545 O GLY A 116 -9.381 0.472 -3.165 1.00 0.00 O ATOM 0 H GLY A 116 -7.501 0.129 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.026 1.560 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.994 0.655 -2.079 1.00 0.00 H new ATOM 1549 N GLU A 117 -9.695 -0.955 -1.455 1.00 0.00 N ATOM 1550 CA GLU A 117 -10.893 -1.547 -2.024 1.00 0.00 C ATOM 1551 C GLU A 117 -11.892 -1.876 -0.924 1.00 0.00 C ATOM 1552 O GLU A 117 -11.579 -1.779 0.262 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.544 -2.811 -2.812 1.00 0.00 C ATOM 1554 CG GLU A 117 -9.921 -2.528 -4.170 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.756 -3.063 -5.317 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.228 -3.873 -6.108 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -11.937 -2.670 -5.426 1.00 0.00 O ATOM 0 H GLU A 117 -9.416 -1.349 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.344 -0.825 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.854 -3.417 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.448 -3.403 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.793 -1.452 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.927 -2.974 -4.210 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.093 -2.257 -1.324 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.141 -2.586 -0.375 1.00 0.00 C ATOM 1566 C TRP A 118 -14.406 -4.086 -0.357 1.00 0.00 C ATOM 1567 O TRP A 118 -14.542 -4.715 -1.407 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.412 -1.828 -0.737 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.284 -0.345 -0.569 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -14.794 0.547 -1.482 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.645 0.421 0.584 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -14.841 1.820 -0.969 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.357 1.768 0.299 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.188 0.097 1.829 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.592 2.790 1.214 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.421 1.112 2.737 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.128 2.445 2.425 1.00 0.00 C ATOM 0 H TRP A 118 -13.366 -2.346 -2.303 1.00 0.00 H new ATOM 0 HA TRP A 118 -13.816 -2.291 0.623 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -15.676 -2.048 -1.771 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.231 -2.188 -0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.424 0.288 -2.463 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.541 2.666 -1.453 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.421 -0.928 2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.360 3.818 0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.837 0.873 3.705 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.329 3.216 3.154 1.00 0.00 H new ATOM 1588 N SER A 119 -14.462 -4.657 0.840 1.00 0.00 N ATOM 1589 CA SER A 119 -14.691 -6.087 0.990 1.00 0.00 C ATOM 1590 C SER A 119 -16.031 -6.364 1.661 1.00 0.00 C ATOM 1591 O SER A 119 -16.512 -5.571 2.471 1.00 0.00 O ATOM 1592 CB SER A 119 -13.561 -6.719 1.804 1.00 0.00 C ATOM 1593 OG SER A 119 -12.635 -5.739 2.239 1.00 0.00 O ATOM 0 H SER A 119 -14.352 -4.152 1.719 1.00 0.00 H new ATOM 0 HA SER A 119 -14.710 -6.530 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.977 -7.239 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.047 -7.466 1.199 1.00 0.00 H new ATOM 0 HG SER A 119 -11.924 -6.169 2.758 1.00 0.00 H new ATOM 1599 N ASP A 120 -16.627 -7.499 1.314 1.00 0.00 N ATOM 1600 CA ASP A 120 -17.903 -7.909 1.887 1.00 0.00 C ATOM 1601 C ASP A 120 -19.062 -7.040 1.399 1.00 0.00 C ATOM 1602 O ASP A 120 -19.922 -6.649 2.189 1.00 0.00 O ATOM 1603 CB ASP A 120 -17.829 -7.861 3.413 1.00 0.00 C ATOM 1604 CG ASP A 120 -18.388 -9.114 4.059 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -19.538 -9.483 3.740 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -17.676 -9.726 4.883 1.00 0.00 O ATOM 0 H ASP A 120 -16.244 -8.155 0.634 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.095 -8.930 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -16.791 -7.729 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.380 -6.993 3.774 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.129 -6.751 0.086 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.223 -5.967 -0.486 1.00 0.00 C ATOM 1613 C PRO A 121 -21.488 -6.807 -0.629 1.00 0.00 C ATOM 1614 O PRO A 121 -21.416 -7.986 -0.976 1.00 0.00 O ATOM 1615 CB PRO A 121 -19.686 -5.566 -1.857 1.00 0.00 C ATOM 1616 CG PRO A 121 -18.764 -6.676 -2.232 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.167 -7.188 -0.944 1.00 0.00 C ATOM 0 HA PRO A 121 -20.502 -5.116 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.492 -5.456 -2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.162 -4.611 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.302 -7.468 -2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -17.985 -6.322 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.059 -8.273 -0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.175 -6.771 -0.769 1.00 0.00 H new ATOM 1625 N PRO A 122 -22.668 -6.231 -0.348 1.00 0.00 N ATOM 1626 CA PRO A 122 -23.926 -6.953 -0.426 1.00 0.00 C ATOM 1627 C PRO A 122 -24.599 -6.838 -1.779 1.00 0.00 C ATOM 1628 O PRO A 122 -24.103 -6.176 -2.691 1.00 0.00 O ATOM 1629 CB PRO A 122 -24.788 -6.264 0.630 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.196 -4.898 0.823 1.00 0.00 C ATOM 1631 CD PRO A 122 -22.879 -4.846 0.088 1.00 0.00 C ATOM 0 HA PRO A 122 -23.777 -8.022 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -25.826 -6.197 0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -24.784 -6.826 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -24.873 -4.133 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.048 -4.694 1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -22.920 -4.162 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.072 -4.503 0.736 1.00 0.00 H new ATOM 1639 N THR A 123 -25.752 -7.477 -1.880 1.00 0.00 N ATOM 1640 CA THR A 123 -26.573 -7.410 -3.078 1.00 0.00 C ATOM 1641 C THR A 123 -27.902 -6.804 -2.728 1.00 0.00 C ATOM 1642 O THR A 123 -28.041 -6.145 -1.698 1.00 0.00 O ATOM 1643 CB THR A 123 -26.760 -8.796 -3.698 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.004 -9.766 -2.994 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.355 -8.863 -5.154 1.00 0.00 C ATOM 0 H THR A 123 -26.145 -8.055 -1.137 1.00 0.00 H new ATOM 0 HA THR A 123 -26.071 -6.787 -3.818 1.00 0.00 H new ATOM 0 HB THR A 123 -27.828 -9.001 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.138 -10.646 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.514 -9.874 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 123 -26.958 -8.162 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.301 -8.601 -5.251 1.00 0.00 H new ATOM 1653 N CYS A 124 -28.873 -6.994 -3.586 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.153 -6.385 -3.364 1.00 0.00 C ATOM 1655 C CYS A 124 -31.190 -6.915 -4.335 1.00 0.00 C ATOM 1656 O CYS A 124 -31.348 -6.409 -5.446 1.00 0.00 O ATOM 1657 CB CYS A 124 -29.984 -4.880 -3.474 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.274 -3.935 -2.621 1.00 0.00 S ATOM 0 H CYS A 124 -28.801 -7.558 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.520 -6.634 -2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -29.013 -4.602 -3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -29.978 -4.600 -4.528 1.00 0.00 H new ATOM 1663 N GLN A 125 -31.876 -7.961 -3.900 1.00 0.00 N ATOM 1664 CA GLN A 125 -32.888 -8.613 -4.710 1.00 0.00 C ATOM 1665 C GLN A 125 -34.264 -8.486 -4.072 1.00 0.00 C ATOM 1666 O GLN A 125 -34.405 -7.974 -2.962 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.533 -10.089 -4.891 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.468 -10.334 -5.948 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.527 -11.464 -5.577 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -30.794 -12.630 -5.870 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -29.418 -11.124 -4.930 1.00 0.00 N ATOM 0 H GLN A 125 -31.746 -8.379 -2.979 1.00 0.00 H new ATOM 0 HA GLN A 125 -32.917 -8.123 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.187 -10.490 -3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.434 -10.640 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -31.950 -10.565 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -30.892 -9.421 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -29.237 -10.145 -4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.747 -11.842 -4.656 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.275 -8.956 -4.788 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.649 -8.901 -4.308 1.00 0.00 C ATOM 1682 C ILE A 126 -36.998 -10.157 -3.513 1.00 0.00 C ATOM 1683 O ILE A 126 -37.644 -11.070 -4.028 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.635 -8.742 -5.482 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.363 -7.436 -6.221 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.078 -8.791 -4.997 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.510 -6.205 -5.354 1.00 0.00 C ATOM 0 H ILE A 126 -35.169 -9.382 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.735 -8.033 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.486 -9.574 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -36.353 -7.463 -6.629 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.047 -7.358 -7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.751 -8.676 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.266 -9.748 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.250 -7.983 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.301 -5.315 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.527 -6.152 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -36.807 -6.260 -4.523 1.00 0.00 H new TER 1699 ILE A 126