USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 164:sc= -0.472 USER MOD Set 1.2: A 72 CYS SG : rot -40:sc= 0.468 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -1.43! C(o=-2.1!,f=-6.6!) USER MOD Set 1.4: A 94 CYS SG : rot -160:sc= -0.639 USER MOD Set 2.1: A 36 CYS SG : rot 149:sc= -0.187 USER MOD Set 2.2: A 39 CYS SG : rot -54:sc= 0.789 USER MOD Set 2.3: A 57 CYS SG : rot -129:sc= 0.115 USER MOD Set 2.4: A 60 CYS SG : rot 84:sc= -1.24 USER MOD Set 3.1: A 8 CYS SG : rot 155:sc= 0.0802 USER MOD Set 3.2: A 11 CYS SG : rot -49:sc= -1.01 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -1.5! C(o=-2.7!,f=-8.4!) USER MOD Set 3.4: A 33 CYS SG : rot -79:sc= -0.296 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc=-0.00566 (180deg=-0.211) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.28) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= -1.04 (180deg=-2.99!) USER MOD Single : A 26 ASN : amide:sc= -0.0163 X(o=-0.016,f=0.1) USER MOD Single : A 32 THR OG1 : rot -26:sc= 0.104 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-3.2!) USER MOD Single : A 45 ASN : amide:sc= -0.994 K(o=-0.99,f=-0.19) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= 0 (180deg=-1.06) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.0241 (180deg=-0.701) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -22:sc= -0.879 USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -0.167 (180deg=-0.22) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.68) USER MOD Single : A 82 ASN : amide:sc= -2.85! K(o=-2.9!,f=-0.28) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0419) USER MOD Single : A 88 THR OG1 : rot 42:sc= 0.063 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.440 17.643 -12.440 1.00 0.00 N ATOM 60 CA GLY A 7 -5.323 16.969 -11.507 1.00 0.00 C ATOM 61 C GLY A 7 -5.027 15.486 -11.397 1.00 0.00 C ATOM 62 O GLY A 7 -4.495 14.881 -12.329 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.227 17.429 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.356 17.108 -11.825 1.00 0.00 H new ATOM 66 N CYS A 8 -5.372 14.898 -10.257 1.00 0.00 N ATOM 67 CA CYS A 8 -5.138 13.477 -10.027 1.00 0.00 C ATOM 68 C CYS A 8 -6.373 12.658 -10.390 1.00 0.00 C ATOM 69 O CYS A 8 -7.505 13.088 -10.169 1.00 0.00 O ATOM 70 CB CYS A 8 -4.761 13.231 -8.565 1.00 0.00 C ATOM 71 SG CYS A 8 -4.014 11.598 -8.255 1.00 0.00 S ATOM 0 H CYS A 8 -5.815 15.384 -9.477 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.313 13.161 -10.666 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.063 14.005 -8.246 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.654 13.333 -7.948 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.259 11.660 -7.198 1.00 0.00 H new ATOM 76 N VAL A 9 -6.147 11.473 -10.950 1.00 0.00 N ATOM 77 CA VAL A 9 -7.241 10.592 -11.343 1.00 0.00 C ATOM 78 C VAL A 9 -7.545 9.573 -10.250 1.00 0.00 C ATOM 79 O VAL A 9 -8.504 8.809 -10.351 1.00 0.00 O ATOM 80 CB VAL A 9 -6.917 9.846 -12.651 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.468 10.823 -13.726 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.857 8.782 -12.408 1.00 0.00 C ATOM 0 H VAL A 9 -5.217 11.101 -11.142 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.116 11.223 -11.500 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.823 9.351 -13.001 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.244 10.278 -14.643 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.263 11.543 -13.918 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.575 11.349 -13.389 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.640 8.265 -13.342 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.948 9.253 -12.034 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.223 8.065 -11.673 1.00 0.00 H new ATOM 92 N GLU A 10 -6.721 9.568 -9.207 1.00 0.00 N ATOM 93 CA GLU A 10 -6.902 8.642 -8.096 1.00 0.00 C ATOM 94 C GLU A 10 -7.731 9.280 -6.985 1.00 0.00 C ATOM 95 O GLU A 10 -8.760 8.742 -6.575 1.00 0.00 O ATOM 96 CB GLU A 10 -5.545 8.200 -7.544 1.00 0.00 C ATOM 97 CG GLU A 10 -5.557 6.804 -6.946 1.00 0.00 C ATOM 98 CD GLU A 10 -4.503 6.621 -5.871 1.00 0.00 C ATOM 99 OE1 GLU A 10 -4.639 7.238 -4.794 1.00 0.00 O ATOM 100 OE2 GLU A 10 -3.541 5.859 -6.107 1.00 0.00 O ATOM 0 H GLU A 10 -5.922 10.195 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.436 7.768 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.807 8.237 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.224 8.910 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.541 6.602 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.394 6.072 -7.737 1.00 0.00 H new ATOM 107 N CYS A 11 -7.276 10.431 -6.502 1.00 0.00 N ATOM 108 CA CYS A 11 -7.973 11.144 -5.438 1.00 0.00 C ATOM 109 C CYS A 11 -8.845 12.258 -6.011 1.00 0.00 C ATOM 110 O CYS A 11 -9.492 12.997 -5.269 1.00 0.00 O ATOM 111 CB CYS A 11 -6.968 11.728 -4.443 1.00 0.00 C ATOM 112 SG CYS A 11 -5.653 12.725 -5.214 1.00 0.00 S ATOM 0 H CYS A 11 -6.427 10.890 -6.831 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.616 10.433 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.503 12.347 -3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.510 10.912 -3.884 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.134 12.065 -6.206 1.00 0.00 H new ATOM 117 N ARG A 12 -8.856 12.372 -7.335 1.00 0.00 N ATOM 118 CA ARG A 12 -9.647 13.395 -8.007 1.00 0.00 C ATOM 119 C ARG A 12 -9.361 14.775 -7.421 1.00 0.00 C ATOM 120 O ARG A 12 -10.206 15.670 -7.471 1.00 0.00 O ATOM 121 CB ARG A 12 -11.139 13.078 -7.888 1.00 0.00 C ATOM 122 CG ARG A 12 -11.645 12.119 -8.953 1.00 0.00 C ATOM 123 CD ARG A 12 -11.547 10.673 -8.493 1.00 0.00 C ATOM 124 NE ARG A 12 -12.055 9.743 -9.498 1.00 0.00 N ATOM 125 CZ ARG A 12 -11.952 8.423 -9.396 1.00 0.00 C ATOM 126 NH1 ARG A 12 -11.363 7.880 -8.340 1.00 0.00 N ATOM 127 NH2 ARG A 12 -12.439 7.642 -10.353 1.00 0.00 N ATOM 0 H ARG A 12 -8.326 11.768 -7.963 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.367 13.401 -9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.334 12.651 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.705 14.007 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.681 12.356 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.067 12.251 -9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.507 10.433 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.109 10.548 -7.567 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.514 10.128 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.987 8.476 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.285 6.866 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.893 8.056 -11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.359 6.628 -10.274 1.00 0.00 H new ATOM 141 N LYS A 13 -8.166 14.940 -6.866 1.00 0.00 N ATOM 142 CA LYS A 13 -7.767 16.210 -6.271 1.00 0.00 C ATOM 143 C LYS A 13 -6.726 16.913 -7.136 1.00 0.00 C ATOM 144 O LYS A 13 -6.024 16.291 -7.934 1.00 0.00 O ATOM 145 CB LYS A 13 -7.208 15.984 -4.864 1.00 0.00 C ATOM 146 CG LYS A 13 -8.281 15.754 -3.813 1.00 0.00 C ATOM 147 CD LYS A 13 -7.801 16.159 -2.429 1.00 0.00 C ATOM 148 CE LYS A 13 -8.527 15.385 -1.340 1.00 0.00 C ATOM 149 NZ LYS A 13 -8.079 13.966 -1.276 1.00 0.00 N ATOM 0 H LYS A 13 -7.456 14.210 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.650 16.846 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.538 15.124 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.609 16.848 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.173 16.325 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.566 14.702 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.728 15.983 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.960 17.228 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.354 15.864 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.601 15.419 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.366 13.552 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.514 13.429 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.044 13.925 -1.364 1.00 0.00 H new ATOM 163 N PRO A 14 -6.621 18.241 -6.976 1.00 0.00 N ATOM 164 CA PRO A 14 -5.666 19.056 -7.732 1.00 0.00 C ATOM 165 C PRO A 14 -4.222 18.793 -7.317 1.00 0.00 C ATOM 166 O PRO A 14 -3.934 18.585 -6.139 1.00 0.00 O ATOM 167 CB PRO A 14 -6.070 20.491 -7.382 1.00 0.00 C ATOM 168 CG PRO A 14 -6.735 20.384 -6.054 1.00 0.00 C ATOM 169 CD PRO A 14 -7.425 19.047 -6.043 1.00 0.00 C ATOM 0 HA PRO A 14 -5.699 18.837 -8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.201 21.147 -7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.745 20.906 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.007 20.454 -5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.450 21.194 -5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.439 18.610 -5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.461 19.127 -6.371 1.00 0.00 H new ATOM 177 N ILE A 15 -3.320 18.804 -8.293 1.00 0.00 N ATOM 178 CA ILE A 15 -1.906 18.569 -8.028 1.00 0.00 C ATOM 179 C ILE A 15 -1.097 19.851 -8.182 1.00 0.00 C ATOM 180 O ILE A 15 -1.419 20.706 -9.006 1.00 0.00 O ATOM 181 CB ILE A 15 -1.329 17.494 -8.968 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.148 16.206 -8.870 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.131 17.227 -8.634 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.837 15.207 -9.963 1.00 0.00 C ATOM 0 H ILE A 15 -3.543 18.973 -9.274 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.832 18.218 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.386 17.861 -9.993 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.964 15.741 -7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.208 16.456 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.525 16.465 -9.307 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.705 18.146 -8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.211 16.878 -7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.454 14.319 -9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.048 15.654 -10.935 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.784 14.928 -9.912 1.00 0.00 H new ATOM 196 N GLY A 16 -0.041 19.978 -7.384 1.00 0.00 N ATOM 197 CA GLY A 16 0.800 21.159 -7.448 1.00 0.00 C ATOM 198 C GLY A 16 2.027 20.950 -8.314 1.00 0.00 C ATOM 199 O GLY A 16 2.612 19.868 -8.322 1.00 0.00 O ATOM 0 H GLY A 16 0.247 19.284 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.220 21.994 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.112 21.434 -6.441 1.00 0.00 H new ATOM 203 N ALA A 17 2.417 21.989 -9.045 1.00 0.00 N ATOM 204 CA ALA A 17 3.582 21.914 -9.918 1.00 0.00 C ATOM 205 C ALA A 17 4.810 21.432 -9.154 1.00 0.00 C ATOM 206 O ALA A 17 5.514 20.525 -9.600 1.00 0.00 O ATOM 207 CB ALA A 17 3.853 23.270 -10.554 1.00 0.00 C ATOM 0 H ALA A 17 1.943 22.892 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 17 3.369 21.191 -10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.726 23.199 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.987 23.576 -11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.040 24.007 -9.773 1.00 0.00 H new ATOM 213 N ASP A 18 5.063 22.044 -8.002 1.00 0.00 N ATOM 214 CA ASP A 18 6.207 21.676 -7.176 1.00 0.00 C ATOM 215 C ASP A 18 6.085 20.235 -6.690 1.00 0.00 C ATOM 216 O ASP A 18 7.086 19.533 -6.540 1.00 0.00 O ATOM 217 CB ASP A 18 6.324 22.622 -5.980 1.00 0.00 C ATOM 218 CG ASP A 18 7.151 22.032 -4.854 1.00 0.00 C ATOM 219 OD1 ASP A 18 8.214 21.445 -5.144 1.00 0.00 O ATOM 220 OD2 ASP A 18 6.736 22.158 -3.683 1.00 0.00 O ATOM 0 H ASP A 18 4.491 22.797 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 18 7.107 21.760 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.774 23.560 -6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.327 22.859 -5.609 1.00 0.00 H new ATOM 225 N SER A 19 4.853 19.800 -6.445 1.00 0.00 N ATOM 226 CA SER A 19 4.601 18.444 -5.972 1.00 0.00 C ATOM 227 C SER A 19 5.006 17.417 -7.025 1.00 0.00 C ATOM 228 O SER A 19 4.644 17.534 -8.196 1.00 0.00 O ATOM 229 CB SER A 19 3.123 18.272 -5.617 1.00 0.00 C ATOM 230 OG SER A 19 2.832 18.842 -4.352 1.00 0.00 O ATOM 0 H SER A 19 4.014 20.367 -6.566 1.00 0.00 H new ATOM 0 HA SER A 19 5.204 18.279 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.505 18.742 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.869 17.212 -5.609 1.00 0.00 H new ATOM 0 HG SER A 19 1.881 18.720 -4.149 1.00 0.00 H new ATOM 236 N LYS A 20 5.759 16.409 -6.600 1.00 0.00 N ATOM 237 CA LYS A 20 6.214 15.358 -7.503 1.00 0.00 C ATOM 238 C LYS A 20 5.033 14.568 -8.057 1.00 0.00 C ATOM 239 O LYS A 20 4.452 13.735 -7.362 1.00 0.00 O ATOM 240 CB LYS A 20 7.177 14.415 -6.779 1.00 0.00 C ATOM 241 CG LYS A 20 8.390 15.118 -6.192 1.00 0.00 C ATOM 242 CD LYS A 20 9.561 14.164 -6.028 1.00 0.00 C ATOM 243 CE LYS A 20 10.605 14.723 -5.074 1.00 0.00 C ATOM 244 NZ LYS A 20 10.282 14.410 -3.654 1.00 0.00 N ATOM 0 H LYS A 20 6.068 16.297 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 20 6.736 15.830 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.640 13.905 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.514 13.648 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.681 15.945 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.130 15.547 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.201 13.205 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.018 13.976 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.583 14.311 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.672 15.803 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.017 14.808 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.360 14.825 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.243 13.379 -3.526 1.00 0.00 H new ATOM 258 N GLU A 21 4.685 14.834 -9.312 1.00 0.00 N ATOM 259 CA GLU A 21 3.573 14.147 -9.958 1.00 0.00 C ATOM 260 C GLU A 21 4.074 13.216 -11.058 1.00 0.00 C ATOM 261 O GLU A 21 5.174 13.392 -11.583 1.00 0.00 O ATOM 262 CB GLU A 21 2.587 15.161 -10.542 1.00 0.00 C ATOM 263 CG GLU A 21 3.208 16.087 -11.575 1.00 0.00 C ATOM 264 CD GLU A 21 2.540 17.448 -11.614 1.00 0.00 C ATOM 265 OE1 GLU A 21 2.670 18.202 -10.627 1.00 0.00 O ATOM 266 OE2 GLU A 21 1.886 17.758 -12.632 1.00 0.00 O ATOM 0 H GLU A 21 5.157 15.520 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 21 3.062 13.548 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.756 14.625 -11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.172 15.760 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.268 16.213 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.140 15.625 -12.560 1.00 0.00 H new ATOM 273 N VAL A 22 3.259 12.223 -11.403 1.00 0.00 N ATOM 274 CA VAL A 22 3.619 11.265 -12.440 1.00 0.00 C ATOM 275 C VAL A 22 2.650 11.338 -13.615 1.00 0.00 C ATOM 276 O VAL A 22 1.523 10.847 -13.537 1.00 0.00 O ATOM 277 CB VAL A 22 3.636 9.825 -11.893 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.148 8.858 -12.949 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.482 9.746 -10.631 1.00 0.00 C ATOM 0 H VAL A 22 2.345 12.062 -10.979 1.00 0.00 H new ATOM 0 HA VAL A 22 4.620 11.529 -12.780 1.00 0.00 H new ATOM 0 HB VAL A 22 2.615 9.539 -11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.153 7.846 -12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.498 8.896 -13.823 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.161 9.138 -13.238 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.483 8.722 -10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.504 10.051 -10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.066 10.408 -9.872 1.00 0.00 H new ATOM 289 N HIS A 23 3.097 11.953 -14.706 1.00 0.00 N ATOM 290 CA HIS A 23 2.270 12.090 -15.899 1.00 0.00 C ATOM 291 C HIS A 23 2.487 10.915 -16.848 1.00 0.00 C ATOM 292 O HIS A 23 3.591 10.706 -17.351 1.00 0.00 O ATOM 293 CB HIS A 23 2.584 13.403 -16.616 1.00 0.00 C ATOM 294 CG HIS A 23 2.035 13.473 -18.008 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.601 14.243 -19.002 1.00 0.00 N ATOM 296 CD2 HIS A 23 0.967 12.861 -18.570 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.904 14.103 -20.115 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.907 13.269 -19.880 1.00 0.00 N ATOM 0 H HIS A 23 4.027 12.364 -14.788 1.00 0.00 H new ATOM 0 HA HIS A 23 1.225 12.096 -15.588 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.180 14.231 -16.033 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.665 13.537 -16.654 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.288 12.179 -18.080 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.114 14.588 -21.057 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.206 12.976 -20.561 1.00 0.00 H new ATOM 307 N TYR A 24 1.427 10.151 -17.089 1.00 0.00 N ATOM 308 CA TYR A 24 1.502 8.995 -17.975 1.00 0.00 C ATOM 309 C TYR A 24 0.148 8.714 -18.619 1.00 0.00 C ATOM 310 O TYR A 24 -0.845 8.480 -17.929 1.00 0.00 O ATOM 311 CB TYR A 24 1.978 7.764 -17.201 1.00 0.00 C ATOM 312 CG TYR A 24 2.330 6.591 -18.088 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.418 6.649 -18.951 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.574 5.426 -18.065 1.00 0.00 C ATOM 315 CE1 TYR A 24 3.743 5.580 -19.763 1.00 0.00 C ATOM 316 CE2 TYR A 24 1.892 4.351 -18.873 1.00 0.00 C ATOM 317 CZ TYR A 24 2.977 4.434 -19.720 1.00 0.00 C ATOM 318 OH TYR A 24 3.297 3.366 -20.528 1.00 0.00 O ATOM 0 H TYR A 24 0.505 10.312 -16.683 1.00 0.00 H new ATOM 0 HA TYR A 24 2.219 9.219 -18.765 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.851 8.034 -16.606 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.198 7.460 -16.503 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.020 7.545 -18.987 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.723 5.359 -17.404 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.592 5.641 -20.428 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.295 3.452 -18.841 1.00 0.00 H new ATOM 0 HH TYR A 24 2.659 2.638 -20.375 1.00 0.00 H new ATOM 328 N LYS A 25 0.116 8.737 -19.947 1.00 0.00 N ATOM 329 CA LYS A 25 -1.113 8.482 -20.688 1.00 0.00 C ATOM 330 C LYS A 25 -2.147 9.570 -20.416 1.00 0.00 C ATOM 331 O LYS A 25 -3.302 9.279 -20.107 1.00 0.00 O ATOM 332 CB LYS A 25 -1.686 7.114 -20.311 1.00 0.00 C ATOM 333 CG LYS A 25 -0.706 5.970 -20.503 1.00 0.00 C ATOM 334 CD LYS A 25 -0.710 5.467 -21.937 1.00 0.00 C ATOM 335 CE LYS A 25 -1.914 4.580 -22.213 1.00 0.00 C ATOM 336 NZ LYS A 25 -3.103 5.373 -22.632 1.00 0.00 N ATOM 0 H LYS A 25 0.929 8.930 -20.533 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.875 8.489 -21.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.004 7.138 -19.269 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.575 6.924 -20.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.298 6.301 -20.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.963 5.153 -19.829 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.717 6.315 -22.621 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.206 4.909 -22.131 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.664 3.861 -22.993 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.156 4.008 -21.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.525 4.944 -23.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.803 5.381 -21.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.812 6.348 -22.845 1.00 0.00 H new ATOM 350 N ASN A 26 -1.725 10.825 -20.535 1.00 0.00 N ATOM 351 CA ASN A 26 -2.615 11.956 -20.303 1.00 0.00 C ATOM 352 C ASN A 26 -3.227 11.890 -18.907 1.00 0.00 C ATOM 353 O ASN A 26 -4.352 12.339 -18.690 1.00 0.00 O ATOM 354 CB ASN A 26 -3.724 11.984 -21.357 1.00 0.00 C ATOM 355 CG ASN A 26 -4.221 13.389 -21.637 1.00 0.00 C ATOM 356 OD1 ASN A 26 -4.366 14.202 -20.723 1.00 0.00 O ATOM 357 ND2 ASN A 26 -4.485 13.682 -22.905 1.00 0.00 N ATOM 0 H ASN A 26 -0.772 11.084 -20.791 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.027 12.870 -20.380 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.354 11.542 -22.282 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.557 11.367 -21.020 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.822 14.612 -23.154 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.350 12.977 -23.630 1.00 0.00 H new ATOM 364 N ARG A 27 -2.477 11.328 -17.965 1.00 0.00 N ATOM 365 CA ARG A 27 -2.946 11.202 -16.590 1.00 0.00 C ATOM 366 C ARG A 27 -1.935 11.799 -15.615 1.00 0.00 C ATOM 367 O ARG A 27 -0.898 12.323 -16.022 1.00 0.00 O ATOM 368 CB ARG A 27 -3.195 9.733 -16.246 1.00 0.00 C ATOM 369 CG ARG A 27 -4.319 9.101 -17.051 1.00 0.00 C ATOM 370 CD ARG A 27 -4.933 7.919 -16.318 1.00 0.00 C ATOM 371 NE ARG A 27 -6.295 7.644 -16.768 1.00 0.00 N ATOM 372 CZ ARG A 27 -6.582 7.031 -17.911 1.00 0.00 C ATOM 373 NH1 ARG A 27 -5.607 6.632 -18.716 1.00 0.00 N ATOM 374 NH2 ARG A 27 -7.847 6.817 -18.251 1.00 0.00 N ATOM 0 H ARG A 27 -1.543 10.953 -18.128 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.882 11.753 -16.500 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.278 9.169 -16.414 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.430 9.652 -15.185 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.089 9.846 -17.250 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.936 8.772 -18.017 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.314 7.035 -16.473 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.939 8.120 -15.247 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.068 7.939 -16.172 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.634 6.795 -18.458 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.830 6.162 -19.593 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.600 7.123 -17.634 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.067 6.346 -19.129 1.00 0.00 H new ATOM 388 N PHE A 28 -2.246 11.718 -14.325 1.00 0.00 N ATOM 389 CA PHE A 28 -1.366 12.252 -13.292 1.00 0.00 C ATOM 390 C PHE A 28 -1.699 11.649 -11.930 1.00 0.00 C ATOM 391 O PHE A 28 -2.848 11.682 -11.489 1.00 0.00 O ATOM 392 CB PHE A 28 -1.484 13.776 -13.230 1.00 0.00 C ATOM 393 CG PHE A 28 -1.409 14.438 -14.576 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.506 14.439 -15.423 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.244 15.060 -14.994 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.440 15.047 -16.663 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.172 15.670 -16.232 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.272 15.664 -17.067 1.00 0.00 C ATOM 0 H PHE A 28 -3.100 11.288 -13.971 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.341 11.984 -13.548 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.429 14.040 -12.756 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.689 14.169 -12.596 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.422 13.960 -15.111 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.619 15.068 -14.344 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.301 15.040 -17.315 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.743 16.151 -16.546 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.219 16.141 -18.034 1.00 0.00 H new ATOM 408 N TRP A 29 -0.686 11.099 -11.270 1.00 0.00 N ATOM 409 CA TRP A 29 -0.871 10.488 -9.959 1.00 0.00 C ATOM 410 C TRP A 29 0.089 11.090 -8.938 1.00 0.00 C ATOM 411 O TRP A 29 1.252 11.354 -9.245 1.00 0.00 O ATOM 412 CB TRP A 29 -0.661 8.975 -10.044 1.00 0.00 C ATOM 413 CG TRP A 29 -1.681 8.281 -10.895 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.856 7.726 -10.477 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.614 8.068 -12.309 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.525 7.180 -11.546 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.784 7.377 -12.682 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.682 8.394 -13.298 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.043 7.007 -13.999 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.940 8.027 -14.604 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.112 7.340 -14.946 1.00 0.00 C ATOM 0 H TRP A 29 0.271 11.064 -11.621 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.892 10.688 -9.633 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.333 8.775 -10.445 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.690 8.554 -9.039 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.208 7.717 -9.456 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.427 6.705 -11.501 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.224 8.924 -13.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.946 6.477 -14.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.226 8.274 -15.375 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.284 7.068 -15.977 1.00 0.00 H new ATOM 432 N HIS A 30 -0.405 11.305 -7.723 1.00 0.00 N ATOM 433 CA HIS A 30 0.410 11.875 -6.656 1.00 0.00 C ATOM 434 C HIS A 30 1.557 10.939 -6.289 1.00 0.00 C ATOM 435 O HIS A 30 1.484 9.732 -6.519 1.00 0.00 O ATOM 436 CB HIS A 30 -0.450 12.156 -5.423 1.00 0.00 C ATOM 437 CG HIS A 30 -1.192 13.454 -5.493 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.567 13.540 -5.424 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.743 14.725 -5.625 1.00 0.00 C ATOM 440 CE1 HIS A 30 -2.931 14.807 -5.512 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.844 15.546 -5.634 1.00 0.00 N ATOM 0 H HIS A 30 -1.365 11.093 -7.453 1.00 0.00 H new ATOM 0 HA HIS A 30 0.832 12.813 -7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.166 11.344 -5.297 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.187 12.159 -4.539 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.203 12.749 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.288 15.035 -5.708 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.946 15.176 -5.488 1.00 0.00 H new ATOM 449 N ASP A 31 2.616 11.504 -5.719 1.00 0.00 N ATOM 450 CA ASP A 31 3.779 10.719 -5.320 1.00 0.00 C ATOM 451 C ASP A 31 3.376 9.593 -4.374 1.00 0.00 C ATOM 452 O ASP A 31 4.155 8.675 -4.115 1.00 0.00 O ATOM 453 CB ASP A 31 4.820 11.617 -4.649 1.00 0.00 C ATOM 454 CG ASP A 31 4.346 12.156 -3.314 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.170 12.564 -3.223 1.00 0.00 O ATOM 456 OD2 ASP A 31 5.152 12.169 -2.360 1.00 0.00 O ATOM 0 H ASP A 31 2.693 12.502 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 31 4.214 10.278 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.742 11.054 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.057 12.450 -5.310 1.00 0.00 H new ATOM 461 N THR A 32 2.152 9.668 -3.858 1.00 0.00 N ATOM 462 CA THR A 32 1.646 8.657 -2.939 1.00 0.00 C ATOM 463 C THR A 32 0.525 7.845 -3.578 1.00 0.00 C ATOM 464 O THR A 32 0.186 6.758 -3.109 1.00 0.00 O ATOM 465 CB THR A 32 1.127 9.292 -1.636 1.00 0.00 C ATOM 466 OG1 THR A 32 0.631 8.274 -0.759 1.00 0.00 O ATOM 467 CG2 THR A 32 0.024 10.299 -1.926 1.00 0.00 C ATOM 0 H THR A 32 1.493 10.420 -4.062 1.00 0.00 H new ATOM 0 HA THR A 32 2.481 7.996 -2.705 1.00 0.00 H new ATOM 0 HB THR A 32 1.956 9.813 -1.157 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.347 7.498 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.327 10.734 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.412 11.088 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.805 9.797 -2.426 1.00 0.00 H new ATOM 475 N CYS A 33 -0.049 8.380 -4.651 1.00 0.00 N ATOM 476 CA CYS A 33 -1.132 7.705 -5.356 1.00 0.00 C ATOM 477 C CYS A 33 -0.583 6.732 -6.395 1.00 0.00 C ATOM 478 O CYS A 33 -1.104 5.629 -6.564 1.00 0.00 O ATOM 479 CB CYS A 33 -2.044 8.731 -6.033 1.00 0.00 C ATOM 480 SG CYS A 33 -3.148 9.616 -4.886 1.00 0.00 S ATOM 0 H CYS A 33 0.218 9.279 -5.051 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.711 7.139 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.426 9.458 -6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.649 8.223 -6.784 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.161 8.858 -4.587 1.00 0.00 H new ATOM 485 N PHE A 34 0.472 7.148 -7.088 1.00 0.00 N ATOM 486 CA PHE A 34 1.092 6.314 -8.111 1.00 0.00 C ATOM 487 C PHE A 34 1.721 5.070 -7.490 1.00 0.00 C ATOM 488 O PHE A 34 2.779 5.143 -6.865 1.00 0.00 O ATOM 489 CB PHE A 34 2.152 7.110 -8.874 1.00 0.00 C ATOM 490 CG PHE A 34 2.714 6.378 -10.059 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.880 5.925 -11.069 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.075 6.142 -10.164 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.393 5.251 -12.161 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.594 5.470 -11.254 1.00 0.00 C ATOM 495 CZ PHE A 34 3.752 5.022 -12.253 1.00 0.00 C ATOM 0 H PHE A 34 0.915 8.058 -6.960 1.00 0.00 H new ATOM 0 HA PHE A 34 0.315 5.997 -8.807 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.716 8.050 -9.211 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.965 7.362 -8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.817 6.101 -11.002 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.738 6.487 -9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.732 4.904 -12.941 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.657 5.295 -11.325 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.155 4.494 -13.104 1.00 0.00 H new ATOM 505 N ARG A 35 1.063 3.930 -7.668 1.00 0.00 N ATOM 506 CA ARG A 35 1.556 2.670 -7.125 1.00 0.00 C ATOM 507 C ARG A 35 0.874 1.483 -7.799 1.00 0.00 C ATOM 508 O ARG A 35 -0.080 1.651 -8.560 1.00 0.00 O ATOM 509 CB ARG A 35 1.322 2.615 -5.614 1.00 0.00 C ATOM 510 CG ARG A 35 -0.137 2.432 -5.229 1.00 0.00 C ATOM 511 CD ARG A 35 -0.277 1.932 -3.800 1.00 0.00 C ATOM 512 NE ARG A 35 -0.340 3.030 -2.840 1.00 0.00 N ATOM 513 CZ ARG A 35 -1.456 3.688 -2.548 1.00 0.00 C ATOM 514 NH1 ARG A 35 -2.597 3.361 -3.139 1.00 0.00 N ATOM 515 NH2 ARG A 35 -1.432 4.676 -1.662 1.00 0.00 N ATOM 0 H ARG A 35 0.187 3.853 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 35 2.626 2.612 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.905 1.795 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.695 3.535 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.665 3.380 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.609 1.725 -5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.178 1.324 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.567 1.286 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 35 0.520 3.307 -2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.619 2.602 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.452 3.868 -2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.556 4.930 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.289 5.181 -1.438 1.00 0.00 H new ATOM 529 N CYS A 36 1.370 0.283 -7.516 1.00 0.00 N ATOM 530 CA CYS A 36 0.810 -0.932 -8.094 1.00 0.00 C ATOM 531 C CYS A 36 -0.633 -1.136 -7.642 1.00 0.00 C ATOM 532 O CYS A 36 -1.102 -0.477 -6.715 1.00 0.00 O ATOM 533 CB CYS A 36 1.655 -2.146 -7.701 1.00 0.00 C ATOM 534 SG CYS A 36 1.342 -3.629 -8.711 1.00 0.00 S ATOM 0 H CYS A 36 2.159 0.126 -6.889 1.00 0.00 H new ATOM 0 HA CYS A 36 0.821 -0.826 -9.179 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.710 -1.882 -7.780 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.464 -2.385 -6.655 1.00 0.00 H new ATOM 0 HG CYS A 36 2.431 -4.334 -8.796 1.00 0.00 H new ATOM 539 N ALA A 37 -1.331 -2.053 -8.304 1.00 0.00 N ATOM 540 CA ALA A 37 -2.719 -2.345 -7.969 1.00 0.00 C ATOM 541 C ALA A 37 -2.843 -3.694 -7.269 1.00 0.00 C ATOM 542 O ALA A 37 -3.871 -4.001 -6.665 1.00 0.00 O ATOM 543 CB ALA A 37 -3.582 -2.317 -9.222 1.00 0.00 C ATOM 0 H ALA A 37 -0.958 -2.606 -9.075 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.070 -1.575 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.616 -2.537 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.527 -1.329 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.222 -3.065 -9.929 1.00 0.00 H new ATOM 549 N LYS A 38 -1.789 -4.499 -7.355 1.00 0.00 N ATOM 550 CA LYS A 38 -1.778 -5.816 -6.730 1.00 0.00 C ATOM 551 C LYS A 38 -1.004 -5.789 -5.416 1.00 0.00 C ATOM 552 O LYS A 38 -1.480 -6.282 -4.393 1.00 0.00 O ATOM 553 CB LYS A 38 -1.161 -6.848 -7.677 1.00 0.00 C ATOM 554 CG LYS A 38 -1.715 -8.250 -7.494 1.00 0.00 C ATOM 555 CD LYS A 38 -1.497 -9.102 -8.733 1.00 0.00 C ATOM 556 CE LYS A 38 -2.545 -8.815 -9.798 1.00 0.00 C ATOM 557 NZ LYS A 38 -2.755 -9.982 -10.698 1.00 0.00 N ATOM 0 H LYS A 38 -0.931 -4.262 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.809 -6.098 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.330 -6.531 -8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.082 -6.870 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.235 -8.723 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.781 -8.195 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.503 -8.910 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.532 -10.157 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.488 -8.552 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.236 -7.952 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.476 -9.746 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.862 -10.217 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.074 -10.799 -10.139 1.00 0.00 H new ATOM 571 N CYS A 39 0.191 -5.209 -5.451 1.00 0.00 N ATOM 572 CA CYS A 39 1.031 -5.116 -4.264 1.00 0.00 C ATOM 573 C CYS A 39 0.950 -3.722 -3.648 1.00 0.00 C ATOM 574 O CYS A 39 1.453 -3.487 -2.548 1.00 0.00 O ATOM 575 CB CYS A 39 2.483 -5.447 -4.613 1.00 0.00 C ATOM 576 SG CYS A 39 3.227 -4.327 -5.842 1.00 0.00 S ATOM 0 H CYS A 39 0.599 -4.796 -6.290 1.00 0.00 H new ATOM 0 HA CYS A 39 0.666 -5.839 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.080 -5.417 -3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.531 -6.468 -4.992 1.00 0.00 H new ATOM 0 HG CYS A 39 2.478 -4.289 -6.904 1.00 0.00 H new ATOM 581 N LEU A 40 0.315 -2.801 -4.364 1.00 0.00 N ATOM 582 CA LEU A 40 0.167 -1.430 -3.888 1.00 0.00 C ATOM 583 C LEU A 40 1.520 -0.836 -3.509 1.00 0.00 C ATOM 584 O LEU A 40 1.706 -0.351 -2.393 1.00 0.00 O ATOM 585 CB LEU A 40 -0.777 -1.385 -2.686 1.00 0.00 C ATOM 586 CG LEU A 40 -2.197 -1.899 -2.928 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.929 -1.000 -3.913 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.166 -3.334 -3.434 1.00 0.00 C ATOM 0 H LEU A 40 -0.106 -2.978 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.257 -0.835 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.334 -1.968 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.840 -0.354 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.736 -1.881 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.938 -1.381 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.983 0.012 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.392 -0.986 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.185 -3.683 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.610 -3.378 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.681 -3.970 -2.694 1.00 0.00 H new ATOM 600 N HIS A 41 2.462 -0.876 -4.446 1.00 0.00 N ATOM 601 CA HIS A 41 3.797 -0.339 -4.211 1.00 0.00 C ATOM 602 C HIS A 41 4.068 0.860 -5.115 1.00 0.00 C ATOM 603 O HIS A 41 3.664 0.896 -6.278 1.00 0.00 O ATOM 604 CB HIS A 41 4.853 -1.420 -4.449 1.00 0.00 C ATOM 605 CG HIS A 41 6.257 -0.897 -4.445 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.154 -1.156 -3.431 1.00 0.00 N ATOM 607 CD2 HIS A 41 6.916 -0.126 -5.341 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.304 -0.566 -3.702 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.187 0.065 -4.856 1.00 0.00 N ATOM 0 H HIS A 41 2.325 -1.275 -5.375 1.00 0.00 H new ATOM 0 HA HIS A 41 3.851 -0.009 -3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.757 -2.186 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.657 -1.904 -5.406 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.517 0.266 -6.265 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.190 -0.595 -3.085 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.921 0.606 -5.313 1.00 0.00 H new ATOM 618 N PRO A 42 4.766 1.867 -4.570 1.00 0.00 N ATOM 619 CA PRO A 42 5.105 3.086 -5.309 1.00 0.00 C ATOM 620 C PRO A 42 6.137 2.833 -6.403 1.00 0.00 C ATOM 621 O PRO A 42 7.292 2.510 -6.119 1.00 0.00 O ATOM 622 CB PRO A 42 5.684 4.005 -4.231 1.00 0.00 C ATOM 623 CG PRO A 42 6.199 3.081 -3.182 1.00 0.00 C ATOM 624 CD PRO A 42 5.279 1.892 -3.190 1.00 0.00 C ATOM 0 HA PRO A 42 4.240 3.503 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.480 4.632 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.922 4.674 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.225 2.782 -3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.204 3.564 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.809 0.972 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.474 2.002 -2.464 1.00 0.00 H new ATOM 632 N LEU A 43 5.715 2.981 -7.654 1.00 0.00 N ATOM 633 CA LEU A 43 6.603 2.768 -8.792 1.00 0.00 C ATOM 634 C LEU A 43 7.305 4.064 -9.184 1.00 0.00 C ATOM 635 O LEU A 43 7.787 4.205 -10.307 1.00 0.00 O ATOM 636 CB LEU A 43 5.815 2.220 -9.983 1.00 0.00 C ATOM 637 CG LEU A 43 5.321 0.779 -9.856 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.424 -0.117 -9.314 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.092 0.714 -8.962 1.00 0.00 C ATOM 0 H LEU A 43 4.763 3.248 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 43 7.360 2.040 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.952 2.865 -10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.442 2.291 -10.871 1.00 0.00 H new ATOM 0 HG LEU A 43 5.044 0.421 -10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.054 -1.139 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.277 -0.094 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.732 0.239 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.754 -0.319 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.343 1.091 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.297 1.324 -9.391 1.00 0.00 H new ATOM 651 N ALA A 44 7.360 5.008 -8.249 1.00 0.00 N ATOM 652 CA ALA A 44 8.006 6.291 -8.496 1.00 0.00 C ATOM 653 C ALA A 44 9.480 6.105 -8.841 1.00 0.00 C ATOM 654 O ALA A 44 9.920 6.456 -9.936 1.00 0.00 O ATOM 655 CB ALA A 44 7.857 7.199 -7.285 1.00 0.00 C ATOM 0 H ALA A 44 6.965 4.908 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 44 7.515 6.759 -9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.344 8.154 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.799 7.367 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.321 6.728 -6.418 1.00 0.00 H new ATOM 661 N ASN A 45 10.239 5.552 -7.900 1.00 0.00 N ATOM 662 CA ASN A 45 11.664 5.321 -8.106 1.00 0.00 C ATOM 663 C ASN A 45 11.899 4.035 -8.892 1.00 0.00 C ATOM 664 O ASN A 45 12.968 3.836 -9.468 1.00 0.00 O ATOM 665 CB ASN A 45 12.389 5.249 -6.760 1.00 0.00 C ATOM 666 CG ASN A 45 11.682 4.342 -5.771 1.00 0.00 C ATOM 667 OD1 ASN A 45 11.978 3.150 -5.683 1.00 0.00 O ATOM 668 ND2 ASN A 45 10.743 4.904 -5.020 1.00 0.00 N ATOM 0 H ASN A 45 9.891 5.256 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 45 12.063 6.156 -8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.406 4.889 -6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.467 6.251 -6.338 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.234 4.344 -4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.530 5.896 -5.127 1.00 0.00 H new ATOM 675 N GLU A 46 10.892 3.168 -8.913 1.00 0.00 N ATOM 676 CA GLU A 46 10.990 1.901 -9.629 1.00 0.00 C ATOM 677 C GLU A 46 10.240 1.968 -10.957 1.00 0.00 C ATOM 678 O GLU A 46 9.605 2.974 -11.275 1.00 0.00 O ATOM 679 CB GLU A 46 10.434 0.762 -8.773 1.00 0.00 C ATOM 680 CG GLU A 46 11.478 0.099 -7.890 1.00 0.00 C ATOM 681 CD GLU A 46 12.754 -0.229 -8.640 1.00 0.00 C ATOM 682 OE1 GLU A 46 12.827 -1.326 -9.233 1.00 0.00 O ATOM 683 OE2 GLU A 46 13.679 0.609 -8.634 1.00 0.00 O ATOM 0 H GLU A 46 9.999 3.319 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 46 12.043 1.709 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.632 1.149 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.992 0.010 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.712 0.758 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.063 -0.817 -7.469 1.00 0.00 H new ATOM 690 N THR A 47 10.319 0.888 -11.728 1.00 0.00 N ATOM 691 CA THR A 47 9.650 0.823 -13.022 1.00 0.00 C ATOM 692 C THR A 47 8.181 0.446 -12.863 1.00 0.00 C ATOM 693 O THR A 47 7.794 -0.179 -11.876 1.00 0.00 O ATOM 694 CB THR A 47 10.331 -0.195 -13.956 1.00 0.00 C ATOM 695 OG1 THR A 47 11.744 0.038 -13.987 1.00 0.00 O ATOM 696 CG2 THR A 47 9.765 -0.100 -15.364 1.00 0.00 C ATOM 0 H THR A 47 10.839 0.047 -11.479 1.00 0.00 H new ATOM 0 HA THR A 47 9.722 1.816 -13.465 1.00 0.00 H new ATOM 0 HB THR A 47 10.137 -1.196 -13.571 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.170 -0.614 -14.582 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.261 -0.828 -16.006 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.695 -0.306 -15.341 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.933 0.903 -15.757 1.00 0.00 H new ATOM 704 N PHE A 48 7.368 0.830 -13.841 1.00 0.00 N ATOM 705 CA PHE A 48 5.941 0.532 -13.810 1.00 0.00 C ATOM 706 C PHE A 48 5.484 -0.081 -15.130 1.00 0.00 C ATOM 707 O PHE A 48 6.140 0.074 -16.160 1.00 0.00 O ATOM 708 CB PHE A 48 5.140 1.803 -13.520 1.00 0.00 C ATOM 709 CG PHE A 48 5.201 2.816 -14.628 1.00 0.00 C ATOM 710 CD1 PHE A 48 4.323 2.747 -15.697 1.00 0.00 C ATOM 711 CD2 PHE A 48 6.137 3.837 -14.599 1.00 0.00 C ATOM 712 CE1 PHE A 48 4.379 3.678 -16.718 1.00 0.00 C ATOM 713 CE2 PHE A 48 6.197 4.771 -15.616 1.00 0.00 C ATOM 714 CZ PHE A 48 5.316 4.691 -16.677 1.00 0.00 C ATOM 0 H PHE A 48 7.673 1.348 -14.665 1.00 0.00 H new ATOM 0 HA PHE A 48 5.763 -0.191 -13.014 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.099 1.534 -13.341 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.514 2.257 -12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.587 1.958 -15.734 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.828 3.904 -13.772 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.690 3.613 -17.547 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.931 5.562 -15.581 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.360 5.420 -17.473 1.00 0.00 H new ATOM 724 N VAL A 49 4.354 -0.780 -15.092 1.00 0.00 N ATOM 725 CA VAL A 49 3.807 -1.417 -16.284 1.00 0.00 C ATOM 726 C VAL A 49 2.309 -1.162 -16.406 1.00 0.00 C ATOM 727 O VAL A 49 1.585 -1.171 -15.412 1.00 0.00 O ATOM 728 CB VAL A 49 4.059 -2.936 -16.274 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.329 -3.606 -17.429 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.551 -3.229 -16.334 1.00 0.00 C ATOM 0 H VAL A 49 3.799 -0.920 -14.248 1.00 0.00 H new ATOM 0 HA VAL A 49 4.318 -0.977 -17.140 1.00 0.00 H new ATOM 0 HB VAL A 49 3.669 -3.345 -15.342 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.519 -4.679 -17.406 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.258 -3.425 -17.337 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.687 -3.195 -18.373 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.711 -4.307 -16.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.968 -2.807 -17.248 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.044 -2.783 -15.471 1.00 0.00 H new ATOM 740 N ALA A 50 1.851 -0.934 -17.633 1.00 0.00 N ATOM 741 CA ALA A 50 0.439 -0.679 -17.886 1.00 0.00 C ATOM 742 C ALA A 50 -0.126 -1.671 -18.897 1.00 0.00 C ATOM 743 O ALA A 50 0.233 -1.646 -20.074 1.00 0.00 O ATOM 744 CB ALA A 50 0.240 0.748 -18.375 1.00 0.00 C ATOM 0 H ALA A 50 2.438 -0.921 -18.467 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.102 -0.809 -16.949 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.820 0.925 -18.560 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.597 1.445 -17.617 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.800 0.898 -19.298 1.00 0.00 H new ATOM 750 N LYS A 51 -1.012 -2.544 -18.430 1.00 0.00 N ATOM 751 CA LYS A 51 -1.627 -3.545 -19.293 1.00 0.00 C ATOM 752 C LYS A 51 -3.100 -3.733 -18.944 1.00 0.00 C ATOM 753 O LYS A 51 -3.463 -3.827 -17.772 1.00 0.00 O ATOM 754 CB LYS A 51 -0.889 -4.880 -19.168 1.00 0.00 C ATOM 755 CG LYS A 51 0.117 -5.125 -20.279 1.00 0.00 C ATOM 756 CD LYS A 51 1.452 -4.463 -19.979 1.00 0.00 C ATOM 757 CE LYS A 51 2.607 -5.224 -20.611 1.00 0.00 C ATOM 758 NZ LYS A 51 3.786 -4.346 -20.849 1.00 0.00 N ATOM 0 H LYS A 51 -1.320 -2.578 -17.458 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.557 -3.193 -20.322 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.373 -4.912 -18.208 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.618 -5.690 -19.165 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.263 -6.197 -20.409 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.278 -4.741 -21.220 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.443 -3.439 -20.351 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.598 -4.409 -18.900 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.895 -6.051 -19.962 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.281 -5.659 -21.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.295 -4.670 -21.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.466 -3.367 -20.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.421 -4.387 -20.027 1.00 0.00 H new ATOM 772 N ASP A 52 -3.944 -3.787 -19.969 1.00 0.00 N ATOM 773 CA ASP A 52 -5.378 -3.966 -19.771 1.00 0.00 C ATOM 774 C ASP A 52 -5.964 -2.807 -18.971 1.00 0.00 C ATOM 775 O ASP A 52 -6.889 -2.990 -18.181 1.00 0.00 O ATOM 776 CB ASP A 52 -5.654 -5.288 -19.053 1.00 0.00 C ATOM 777 CG ASP A 52 -5.738 -6.460 -20.011 1.00 0.00 C ATOM 778 OD1 ASP A 52 -6.807 -6.645 -20.630 1.00 0.00 O ATOM 779 OD2 ASP A 52 -4.735 -7.192 -20.142 1.00 0.00 O ATOM 0 H ASP A 52 -3.660 -3.709 -20.946 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.856 -3.987 -20.751 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.865 -5.474 -18.324 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.589 -5.208 -18.498 1.00 0.00 H new ATOM 784 N ASN A 53 -5.419 -1.613 -19.183 1.00 0.00 N ATOM 785 CA ASN A 53 -5.888 -0.424 -18.480 1.00 0.00 C ATOM 786 C ASN A 53 -5.726 -0.584 -16.972 1.00 0.00 C ATOM 787 O ASN A 53 -6.601 -0.197 -16.198 1.00 0.00 O ATOM 788 CB ASN A 53 -7.354 -0.149 -18.821 1.00 0.00 C ATOM 789 CG ASN A 53 -7.604 -0.117 -20.316 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.708 -1.160 -20.962 1.00 0.00 O ATOM 791 ND2 ASN A 53 -7.701 1.084 -20.874 1.00 0.00 N ATOM 0 H ASN A 53 -4.653 -1.443 -19.835 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.282 0.422 -18.805 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.980 -0.917 -18.367 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.653 0.804 -18.385 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.868 1.169 -21.877 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.608 1.922 -20.300 1.00 0.00 H new ATOM 798 N LYS A 54 -4.599 -1.156 -16.561 1.00 0.00 N ATOM 799 CA LYS A 54 -4.319 -1.366 -15.145 1.00 0.00 C ATOM 800 C LYS A 54 -2.828 -1.222 -14.858 1.00 0.00 C ATOM 801 O LYS A 54 -1.993 -1.777 -15.572 1.00 0.00 O ATOM 802 CB LYS A 54 -4.802 -2.751 -14.709 1.00 0.00 C ATOM 803 CG LYS A 54 -6.257 -2.779 -14.273 1.00 0.00 C ATOM 804 CD LYS A 54 -6.505 -3.854 -13.228 1.00 0.00 C ATOM 805 CE LYS A 54 -6.807 -5.198 -13.872 1.00 0.00 C ATOM 806 NZ LYS A 54 -5.577 -5.848 -14.404 1.00 0.00 N ATOM 0 H LYS A 54 -3.864 -1.483 -17.189 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.855 -0.605 -14.577 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.665 -3.450 -15.534 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.178 -3.102 -13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.535 -1.806 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.894 -2.958 -15.139 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.630 -3.946 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.339 -3.559 -12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.276 -5.854 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.524 -5.060 -14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.717 -6.878 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.381 -5.490 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.773 -5.630 -13.782 1.00 0.00 H new ATOM 820 N ILE A 55 -2.502 -0.475 -13.809 1.00 0.00 N ATOM 821 CA ILE A 55 -1.112 -0.261 -13.427 1.00 0.00 C ATOM 822 C ILE A 55 -0.587 -1.421 -12.587 1.00 0.00 C ATOM 823 O ILE A 55 -1.246 -1.869 -11.648 1.00 0.00 O ATOM 824 CB ILE A 55 -0.941 1.049 -12.635 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.525 2.225 -13.420 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.528 1.291 -12.323 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.866 2.441 -14.765 1.00 0.00 C ATOM 0 H ILE A 55 -3.181 -0.008 -13.209 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.538 -0.196 -14.351 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.483 0.960 -11.693 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.592 2.057 -13.570 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.425 3.133 -12.826 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.633 2.220 -11.763 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.915 0.463 -11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.091 1.363 -13.254 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.330 3.291 -15.265 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.196 2.640 -14.622 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.988 1.548 -15.378 1.00 0.00 H new ATOM 839 N LEU A 56 0.602 -1.902 -12.931 1.00 0.00 N ATOM 840 CA LEU A 56 1.217 -3.010 -12.208 1.00 0.00 C ATOM 841 C LEU A 56 2.735 -2.861 -12.173 1.00 0.00 C ATOM 842 O LEU A 56 3.306 -2.043 -12.894 1.00 0.00 O ATOM 843 CB LEU A 56 0.839 -4.342 -12.858 1.00 0.00 C ATOM 844 CG LEU A 56 -0.635 -4.739 -12.765 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.939 -5.890 -13.712 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.998 -5.113 -11.335 1.00 0.00 C ATOM 0 H LEU A 56 1.160 -1.543 -13.706 1.00 0.00 H new ATOM 0 HA LEU A 56 0.845 -2.994 -11.184 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.118 -4.302 -13.911 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.437 -5.130 -12.399 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.241 -3.882 -13.060 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.992 -6.159 -13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.719 -5.587 -14.736 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.324 -6.750 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.050 -5.393 -11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.384 -5.954 -11.012 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.819 -4.261 -10.679 1.00 0.00 H new ATOM 858 N CYS A 57 3.383 -3.660 -11.332 1.00 0.00 N ATOM 859 CA CYS A 57 4.835 -3.620 -11.203 1.00 0.00 C ATOM 860 C CYS A 57 5.466 -4.889 -11.768 1.00 0.00 C ATOM 861 O CYS A 57 4.810 -5.923 -11.883 1.00 0.00 O ATOM 862 CB CYS A 57 5.233 -3.448 -9.736 1.00 0.00 C ATOM 863 SG CYS A 57 5.108 -4.974 -8.748 1.00 0.00 S ATOM 0 H CYS A 57 2.925 -4.344 -10.729 1.00 0.00 H new ATOM 0 HA CYS A 57 5.203 -2.767 -11.774 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.258 -3.081 -9.689 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.600 -2.684 -9.286 1.00 0.00 H new ATOM 0 HG CYS A 57 4.415 -4.740 -7.673 1.00 0.00 H new ATOM 868 N ASN A 58 6.745 -4.801 -12.120 1.00 0.00 N ATOM 869 CA ASN A 58 7.466 -5.942 -12.673 1.00 0.00 C ATOM 870 C ASN A 58 7.327 -7.163 -11.769 1.00 0.00 C ATOM 871 O ASN A 58 7.066 -8.271 -12.239 1.00 0.00 O ATOM 872 CB ASN A 58 8.945 -5.596 -12.858 1.00 0.00 C ATOM 873 CG ASN A 58 9.234 -5.008 -14.226 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.668 -5.712 -15.138 1.00 0.00 O ATOM 875 ND2 ASN A 58 8.994 -3.710 -14.375 1.00 0.00 N ATOM 0 H ASN A 58 7.303 -3.952 -12.032 1.00 0.00 H new ATOM 0 HA ASN A 58 7.031 -6.179 -13.644 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.248 -4.886 -12.089 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.546 -6.494 -12.717 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.169 -3.259 -15.273 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.634 -3.165 -13.592 1.00 0.00 H new ATOM 882 N LYS A 59 7.503 -6.953 -10.469 1.00 0.00 N ATOM 883 CA LYS A 59 7.395 -8.035 -9.498 1.00 0.00 C ATOM 884 C LYS A 59 6.104 -8.822 -9.700 1.00 0.00 C ATOM 885 O LYS A 59 6.078 -10.043 -9.540 1.00 0.00 O ATOM 886 CB LYS A 59 7.447 -7.477 -8.074 1.00 0.00 C ATOM 887 CG LYS A 59 7.670 -8.539 -7.012 1.00 0.00 C ATOM 888 CD LYS A 59 8.244 -7.942 -5.737 1.00 0.00 C ATOM 889 CE LYS A 59 8.986 -8.986 -4.917 1.00 0.00 C ATOM 890 NZ LYS A 59 8.070 -9.730 -4.008 1.00 0.00 N ATOM 0 H LYS A 59 7.721 -6.043 -10.063 1.00 0.00 H new ATOM 0 HA LYS A 59 8.238 -8.710 -9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.247 -6.739 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.514 -6.955 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.726 -9.036 -6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.348 -9.301 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.922 -7.127 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.439 -7.514 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.483 -9.688 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.765 -8.500 -4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.613 -10.432 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.615 -9.063 -3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.341 -10.215 -4.570 1.00 0.00 H new ATOM 904 N CYS A 60 5.036 -8.116 -10.054 1.00 0.00 N ATOM 905 CA CYS A 60 3.741 -8.748 -10.279 1.00 0.00 C ATOM 906 C CYS A 60 3.625 -9.252 -11.715 1.00 0.00 C ATOM 907 O CYS A 60 3.497 -10.453 -11.955 1.00 0.00 O ATOM 908 CB CYS A 60 2.610 -7.762 -9.979 1.00 0.00 C ATOM 909 SG CYS A 60 2.357 -7.439 -8.204 1.00 0.00 S ATOM 0 H CYS A 60 5.041 -7.105 -10.191 1.00 0.00 H new ATOM 0 HA CYS A 60 3.658 -9.601 -9.605 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.822 -6.819 -10.483 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.683 -8.149 -10.403 1.00 0.00 H new ATOM 0 HG CYS A 60 3.187 -6.520 -7.808 1.00 0.00 H new ATOM 914 N THR A 61 3.670 -8.325 -12.667 1.00 0.00 N ATOM 915 CA THR A 61 3.569 -8.674 -14.078 1.00 0.00 C ATOM 916 C THR A 61 4.351 -9.945 -14.388 1.00 0.00 C ATOM 917 O THR A 61 3.874 -10.820 -15.111 1.00 0.00 O ATOM 918 CB THR A 61 4.085 -7.534 -14.977 1.00 0.00 C ATOM 919 OG1 THR A 61 5.489 -7.343 -14.766 1.00 0.00 O ATOM 920 CG2 THR A 61 3.342 -6.239 -14.689 1.00 0.00 C ATOM 0 H THR A 61 3.776 -7.327 -12.486 1.00 0.00 H new ATOM 0 HA THR A 61 2.512 -8.842 -14.287 1.00 0.00 H new ATOM 0 HB THR A 61 3.908 -7.811 -16.016 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.741 -7.706 -13.891 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.724 -5.449 -15.336 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.278 -6.380 -14.878 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.491 -5.958 -13.646 1.00 0.00 H new ATOM 1004 N PRO A 67 0.662 -22.320 -11.524 1.00 0.00 N ATOM 1005 CA PRO A 67 -0.593 -23.070 -11.415 1.00 0.00 C ATOM 1006 C PRO A 67 -0.391 -24.452 -10.802 1.00 0.00 C ATOM 1007 O PRO A 67 0.740 -24.899 -10.612 1.00 0.00 O ATOM 1008 CB PRO A 67 -1.060 -23.192 -12.868 1.00 0.00 C ATOM 1009 CG PRO A 67 0.187 -23.093 -13.676 1.00 0.00 C ATOM 1010 CD PRO A 67 1.096 -22.162 -12.922 1.00 0.00 C ATOM 0 HA PRO A 67 -1.310 -22.572 -10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.570 -24.140 -13.042 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.763 -22.400 -13.126 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.649 -24.072 -13.802 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.024 -22.709 -14.674 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.144 -22.432 -13.050 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.988 -21.132 -13.262 1.00 0.00 H new ATOM 1018 N LYS A 68 -1.495 -25.125 -10.496 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.440 -26.457 -9.906 1.00 0.00 C ATOM 1020 C LYS A 68 -2.232 -27.456 -10.744 1.00 0.00 C ATOM 1021 O LYS A 68 -3.123 -27.076 -11.503 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.988 -26.428 -8.477 1.00 0.00 C ATOM 1023 CG LYS A 68 -3.429 -25.958 -8.387 1.00 0.00 C ATOM 1024 CD LYS A 68 -4.401 -27.123 -8.477 1.00 0.00 C ATOM 1025 CE LYS A 68 -5.756 -26.765 -7.886 1.00 0.00 C ATOM 1026 NZ LYS A 68 -6.700 -27.917 -7.924 1.00 0.00 N ATOM 0 H LYS A 68 -2.439 -24.770 -10.647 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.397 -26.774 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.913 -27.427 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.363 -25.773 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.582 -25.427 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.633 -25.250 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.524 -27.416 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.989 -27.984 -7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.627 -26.435 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.183 -25.927 -8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.491 -27.740 -7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.067 -28.033 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.202 -28.784 -7.637 1.00 0.00 H new ATOM 1040 N CYS A 69 -1.901 -28.735 -10.600 1.00 0.00 N ATOM 1041 CA CYS A 69 -2.581 -29.789 -11.343 1.00 0.00 C ATOM 1042 C CYS A 69 -3.679 -30.429 -10.497 1.00 0.00 C ATOM 1043 O CYS A 69 -3.718 -30.259 -9.279 1.00 0.00 O ATOM 1044 CB CYS A 69 -1.579 -30.856 -11.789 1.00 0.00 C ATOM 1045 SG CYS A 69 -2.253 -32.058 -12.980 1.00 0.00 S ATOM 0 H CYS A 69 -1.166 -29.066 -9.975 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.040 -29.340 -12.224 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.715 -30.364 -12.236 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.221 -31.393 -10.910 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.276 -32.696 -13.552 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.569 -31.166 -11.153 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.667 -31.833 -10.464 1.00 0.00 C ATOM 1052 C LYS A 70 -5.482 -33.347 -10.484 1.00 0.00 C ATOM 1053 O LYS A 70 -6.047 -34.062 -9.657 1.00 0.00 O ATOM 1054 CB LYS A 70 -7.003 -31.463 -11.112 1.00 0.00 C ATOM 1055 CG LYS A 70 -8.204 -31.718 -10.217 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.533 -30.503 -9.366 1.00 0.00 C ATOM 1057 CE LYS A 70 -9.552 -30.838 -8.287 1.00 0.00 C ATOM 1058 NZ LYS A 70 -10.934 -30.918 -8.836 1.00 0.00 N ATOM 0 H LYS A 70 -4.551 -31.316 -12.162 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.669 -31.498 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.984 -30.409 -11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.120 -32.032 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.067 -31.979 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.002 -32.572 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.622 -30.124 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.922 -29.707 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.290 -31.789 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.515 -30.080 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.599 -31.148 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.194 -30.003 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.976 -31.659 -9.565 1.00 0.00 H new ATOM 1072 N GLY A 71 -4.686 -33.829 -11.434 1.00 0.00 N ATOM 1073 CA GLY A 71 -4.440 -35.255 -11.542 1.00 0.00 C ATOM 1074 C GLY A 71 -3.431 -35.748 -10.525 1.00 0.00 C ATOM 1075 O GLY A 71 -3.539 -36.868 -10.024 1.00 0.00 O ATOM 0 H GLY A 71 -4.207 -33.257 -12.130 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.378 -35.793 -11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.081 -35.484 -12.546 1.00 0.00 H new ATOM 1079 N CYS A 72 -2.444 -34.912 -10.219 1.00 0.00 N ATOM 1080 CA CYS A 72 -1.409 -35.270 -9.256 1.00 0.00 C ATOM 1081 C CYS A 72 -1.364 -34.265 -8.108 1.00 0.00 C ATOM 1082 O CYS A 72 -0.925 -34.587 -7.004 1.00 0.00 O ATOM 1083 CB CYS A 72 -0.044 -35.336 -9.944 1.00 0.00 C ATOM 1084 SG CYS A 72 0.354 -33.869 -10.948 1.00 0.00 S ATOM 0 H CYS A 72 -2.339 -33.982 -10.624 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.651 -36.251 -8.848 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.728 -35.464 -9.185 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.013 -36.219 -10.582 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.712 -33.471 -11.577 1.00 0.00 H new ATOM 1089 N PHE A 73 -1.822 -33.047 -8.377 1.00 0.00 N ATOM 1090 CA PHE A 73 -1.833 -31.995 -7.368 1.00 0.00 C ATOM 1091 C PHE A 73 -0.425 -31.460 -7.123 1.00 0.00 C ATOM 1092 O PHE A 73 0.017 -31.343 -5.980 1.00 0.00 O ATOM 1093 CB PHE A 73 -2.426 -32.521 -6.059 1.00 0.00 C ATOM 1094 CG PHE A 73 -2.895 -31.434 -5.134 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -3.750 -30.443 -5.586 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -2.481 -31.405 -3.812 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -4.183 -29.441 -4.737 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -2.910 -30.407 -2.958 1.00 0.00 C ATOM 1099 CZ PHE A 73 -3.763 -29.424 -3.421 1.00 0.00 C ATOM 0 H PHE A 73 -2.190 -32.764 -9.285 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.453 -31.178 -7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.264 -33.179 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.677 -33.125 -5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.083 -30.453 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.815 -32.172 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.849 -28.673 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.579 -30.396 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.101 -28.644 -2.755 1.00 0.00 H new ATOM 1109 N LYS A 74 0.275 -31.138 -8.205 1.00 0.00 N ATOM 1110 CA LYS A 74 1.633 -30.615 -8.111 1.00 0.00 C ATOM 1111 C LYS A 74 1.736 -29.245 -8.773 1.00 0.00 C ATOM 1112 O LYS A 74 0.856 -28.847 -9.536 1.00 0.00 O ATOM 1113 CB LYS A 74 2.621 -31.585 -8.763 1.00 0.00 C ATOM 1114 CG LYS A 74 2.680 -32.942 -8.085 1.00 0.00 C ATOM 1115 CD LYS A 74 3.375 -32.862 -6.736 1.00 0.00 C ATOM 1116 CE LYS A 74 3.666 -34.245 -6.175 1.00 0.00 C ATOM 1117 NZ LYS A 74 2.444 -34.885 -5.614 1.00 0.00 N ATOM 0 H LYS A 74 -0.076 -31.230 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 74 1.882 -30.508 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.345 -31.723 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.616 -31.139 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.669 -33.328 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.208 -33.647 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.307 -32.306 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.749 -32.309 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.078 -34.877 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.426 -34.169 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.685 -35.826 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.065 -34.295 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.728 -34.981 -6.362 1.00 0.00 H new ATOM 1131 N ALA A 75 2.816 -28.530 -8.478 1.00 0.00 N ATOM 1132 CA ALA A 75 3.035 -27.206 -9.048 1.00 0.00 C ATOM 1133 C ALA A 75 3.462 -27.301 -10.508 1.00 0.00 C ATOM 1134 O ALA A 75 4.603 -27.655 -10.809 1.00 0.00 O ATOM 1135 CB ALA A 75 4.078 -26.449 -8.239 1.00 0.00 C ATOM 0 H ALA A 75 3.553 -28.845 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 75 2.093 -26.660 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.231 -25.462 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.733 -26.341 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.018 -27.001 -8.250 1.00 0.00 H new ATOM 1141 N ILE A 76 2.541 -26.984 -11.411 1.00 0.00 N ATOM 1142 CA ILE A 76 2.823 -27.034 -12.840 1.00 0.00 C ATOM 1143 C ILE A 76 3.773 -25.913 -13.252 1.00 0.00 C ATOM 1144 O ILE A 76 3.632 -24.772 -12.812 1.00 0.00 O ATOM 1145 CB ILE A 76 1.532 -26.929 -13.673 1.00 0.00 C ATOM 1146 CG1 ILE A 76 0.567 -28.057 -13.302 1.00 0.00 C ATOM 1147 CG2 ILE A 76 1.856 -26.969 -15.159 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -0.851 -27.817 -13.770 1.00 0.00 C ATOM 0 H ILE A 76 1.593 -26.690 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 76 3.294 -27.997 -13.035 1.00 0.00 H new ATOM 0 HB ILE A 76 1.050 -25.977 -13.452 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.930 -28.991 -13.732 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.567 -28.183 -12.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.933 -26.894 -15.735 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.510 -26.134 -15.411 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.357 -27.907 -15.397 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.479 -28.656 -13.472 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.233 -26.901 -13.320 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.864 -27.721 -14.856 1.00 0.00 H new ATOM 1160 N VAL A 77 4.739 -26.247 -14.102 1.00 0.00 N ATOM 1161 CA VAL A 77 5.711 -25.269 -14.576 1.00 0.00 C ATOM 1162 C VAL A 77 5.480 -24.933 -16.045 1.00 0.00 C ATOM 1163 O VAL A 77 4.961 -25.751 -16.805 1.00 0.00 O ATOM 1164 CB VAL A 77 7.153 -25.779 -14.398 1.00 0.00 C ATOM 1165 CG1 VAL A 77 8.150 -24.758 -14.926 1.00 0.00 C ATOM 1166 CG2 VAL A 77 7.428 -26.097 -12.936 1.00 0.00 C ATOM 0 H VAL A 77 4.869 -27.187 -14.476 1.00 0.00 H new ATOM 0 HA VAL A 77 5.575 -24.370 -13.975 1.00 0.00 H new ATOM 0 HB VAL A 77 7.269 -26.697 -14.975 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.164 -25.136 -14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.965 -24.584 -15.986 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.036 -23.822 -14.379 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.451 -26.456 -12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.294 -25.197 -12.336 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.736 -26.866 -12.595 1.00 0.00 H new ATOM 1176 N ALA A 78 5.870 -23.725 -16.439 1.00 0.00 N ATOM 1177 CA ALA A 78 5.708 -23.282 -17.818 1.00 0.00 C ATOM 1178 C ALA A 78 6.245 -24.323 -18.796 1.00 0.00 C ATOM 1179 O ALA A 78 5.506 -24.843 -19.630 1.00 0.00 O ATOM 1180 CB ALA A 78 6.407 -21.947 -18.029 1.00 0.00 C ATOM 0 H ALA A 78 6.300 -23.036 -15.822 1.00 0.00 H new ATOM 0 HA ALA A 78 4.643 -23.156 -18.010 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.278 -21.628 -19.063 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.975 -21.201 -17.363 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.470 -22.055 -17.813 1.00 0.00 H new ATOM 1186 N GLY A 79 7.536 -24.621 -18.686 1.00 0.00 N ATOM 1187 CA GLY A 79 8.149 -25.597 -19.568 1.00 0.00 C ATOM 1188 C GLY A 79 7.476 -26.953 -19.488 1.00 0.00 C ATOM 1189 O GLY A 79 7.329 -27.641 -20.499 1.00 0.00 O ATOM 0 H GLY A 79 8.168 -24.204 -18.002 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.105 -25.233 -20.594 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.203 -25.702 -19.312 1.00 0.00 H new ATOM 1193 N ASP A 80 7.067 -27.339 -18.285 1.00 0.00 N ATOM 1194 CA ASP A 80 6.406 -28.622 -18.077 1.00 0.00 C ATOM 1195 C ASP A 80 5.051 -28.655 -18.776 1.00 0.00 C ATOM 1196 O ASP A 80 4.122 -27.951 -18.381 1.00 0.00 O ATOM 1197 CB ASP A 80 6.230 -28.893 -16.582 1.00 0.00 C ATOM 1198 CG ASP A 80 7.495 -29.425 -15.937 1.00 0.00 C ATOM 1199 OD1 ASP A 80 8.538 -28.744 -16.025 1.00 0.00 O ATOM 1200 OD2 ASP A 80 7.440 -30.522 -15.343 1.00 0.00 O ATOM 0 H ASP A 80 7.182 -26.782 -17.438 1.00 0.00 H new ATOM 0 HA ASP A 80 7.035 -29.401 -18.508 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.930 -27.972 -16.082 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.423 -29.611 -16.438 1.00 0.00 H new ATOM 1205 N GLN A 81 4.947 -29.476 -19.816 1.00 0.00 N ATOM 1206 CA GLN A 81 3.705 -29.599 -20.570 1.00 0.00 C ATOM 1207 C GLN A 81 2.498 -29.578 -19.639 1.00 0.00 C ATOM 1208 O GLN A 81 2.569 -30.048 -18.504 1.00 0.00 O ATOM 1209 CB GLN A 81 3.709 -30.889 -21.392 1.00 0.00 C ATOM 1210 CG GLN A 81 4.556 -30.806 -22.652 1.00 0.00 C ATOM 1211 CD GLN A 81 4.184 -29.627 -23.528 1.00 0.00 C ATOM 1212 OE1 GLN A 81 3.390 -29.758 -24.461 1.00 0.00 O ATOM 1213 NE2 GLN A 81 4.757 -28.466 -23.233 1.00 0.00 N ATOM 0 H GLN A 81 5.707 -30.065 -20.155 1.00 0.00 H new ATOM 0 HA GLN A 81 3.633 -28.746 -21.245 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.077 -31.705 -20.770 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.684 -31.137 -21.669 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.607 -30.730 -22.374 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.443 -31.728 -23.223 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.409 -28.403 -22.451 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.545 -27.637 -23.788 1.00 0.00 H new ATOM 1222 N ASN A 82 1.390 -29.030 -20.127 1.00 0.00 N ATOM 1223 CA ASN A 82 0.166 -28.947 -19.337 1.00 0.00 C ATOM 1224 C ASN A 82 -1.062 -28.892 -20.241 1.00 0.00 C ATOM 1225 O ASN A 82 -0.972 -28.502 -21.405 1.00 0.00 O ATOM 1226 CB ASN A 82 0.202 -27.715 -18.431 1.00 0.00 C ATOM 1227 CG ASN A 82 1.078 -26.611 -18.990 1.00 0.00 C ATOM 1228 OD1 ASN A 82 0.822 -26.090 -20.076 1.00 0.00 O ATOM 1229 ND2 ASN A 82 2.119 -26.248 -18.249 1.00 0.00 N ATOM 0 H ASN A 82 1.314 -28.637 -21.065 1.00 0.00 H new ATOM 0 HA ASN A 82 0.100 -29.842 -18.719 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.811 -27.337 -18.296 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.569 -28.003 -17.446 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.744 -25.510 -18.574 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.293 -26.707 -17.355 1.00 0.00 H new ATOM 1236 N VAL A 83 -2.209 -29.285 -19.696 1.00 0.00 N ATOM 1237 CA VAL A 83 -3.456 -29.279 -20.451 1.00 0.00 C ATOM 1238 C VAL A 83 -4.547 -28.521 -19.704 1.00 0.00 C ATOM 1239 O VAL A 83 -5.067 -28.996 -18.696 1.00 0.00 O ATOM 1240 CB VAL A 83 -3.945 -30.711 -20.738 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -5.138 -30.689 -21.681 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -2.817 -31.554 -21.312 1.00 0.00 C ATOM 0 H VAL A 83 -2.300 -29.612 -18.734 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.251 -28.777 -21.396 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.263 -31.163 -19.798 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.470 -31.710 -21.872 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.951 -30.123 -21.226 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.850 -30.219 -22.621 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.180 -32.563 -21.509 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.466 -31.107 -22.242 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.995 -31.597 -20.597 1.00 0.00 H new ATOM 1252 N GLU A 84 -4.889 -27.339 -20.207 1.00 0.00 N ATOM 1253 CA GLU A 84 -5.919 -26.514 -19.587 1.00 0.00 C ATOM 1254 C GLU A 84 -7.258 -26.690 -20.297 1.00 0.00 C ATOM 1255 O GLU A 84 -7.347 -26.564 -21.519 1.00 0.00 O ATOM 1256 CB GLU A 84 -5.507 -25.041 -19.610 1.00 0.00 C ATOM 1257 CG GLU A 84 -6.177 -24.205 -18.532 1.00 0.00 C ATOM 1258 CD GLU A 84 -6.325 -22.749 -18.931 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -5.374 -21.973 -18.704 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -7.391 -22.387 -19.470 1.00 0.00 O ATOM 0 H GLU A 84 -4.468 -26.931 -21.042 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.031 -26.836 -18.552 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.426 -24.973 -19.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.748 -24.620 -20.586 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.161 -24.620 -18.315 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.594 -24.269 -17.613 1.00 0.00 H new ATOM 1267 N TYR A 85 -8.298 -26.984 -19.524 1.00 0.00 N ATOM 1268 CA TYR A 85 -9.632 -27.181 -20.078 1.00 0.00 C ATOM 1269 C TYR A 85 -10.586 -26.091 -19.600 1.00 0.00 C ATOM 1270 O TYR A 85 -10.901 -25.157 -20.338 1.00 0.00 O ATOM 1271 CB TYR A 85 -10.172 -28.556 -19.684 1.00 0.00 C ATOM 1272 CG TYR A 85 -11.666 -28.698 -19.876 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -12.296 -28.161 -20.992 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -12.446 -29.367 -18.941 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -13.660 -28.287 -21.171 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -13.810 -29.499 -19.113 1.00 0.00 C ATOM 1277 CZ TYR A 85 -14.413 -28.957 -20.229 1.00 0.00 C ATOM 1278 OH TYR A 85 -15.772 -29.085 -20.403 1.00 0.00 O ATOM 0 H TYR A 85 -8.242 -27.091 -18.511 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.559 -27.124 -21.164 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.664 -29.319 -20.274 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.929 -28.747 -18.639 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.710 -27.636 -21.732 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.978 -29.791 -18.065 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.134 -27.863 -22.044 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.402 -30.024 -18.377 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.153 -29.584 -19.651 1.00 0.00 H new ATOM 1288 N LYS A 86 -11.044 -26.217 -18.359 1.00 0.00 N ATOM 1289 CA LYS A 86 -11.961 -25.243 -17.779 1.00 0.00 C ATOM 1290 C LYS A 86 -11.532 -24.866 -16.365 1.00 0.00 C ATOM 1291 O LYS A 86 -12.017 -25.433 -15.386 1.00 0.00 O ATOM 1292 CB LYS A 86 -13.385 -25.803 -17.758 1.00 0.00 C ATOM 1293 CG LYS A 86 -14.127 -25.628 -19.072 1.00 0.00 C ATOM 1294 CD LYS A 86 -15.632 -25.641 -18.869 1.00 0.00 C ATOM 1295 CE LYS A 86 -16.371 -25.282 -20.150 1.00 0.00 C ATOM 1296 NZ LYS A 86 -16.260 -23.832 -20.466 1.00 0.00 N ATOM 0 H LYS A 86 -10.795 -26.985 -17.735 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.938 -24.346 -18.398 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.346 -26.864 -17.511 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.948 -25.312 -16.964 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.830 -24.688 -19.536 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.845 -26.426 -19.759 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.946 -26.629 -18.531 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.900 -24.935 -18.083 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.968 -25.866 -20.978 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.422 -25.553 -20.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.897 -23.599 -21.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.525 -23.273 -19.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.280 -23.609 -20.735 1.00 0.00 H new ATOM 1310 N GLY A 87 -10.619 -23.905 -16.265 1.00 0.00 N ATOM 1311 CA GLY A 87 -10.140 -23.468 -14.966 1.00 0.00 C ATOM 1312 C GLY A 87 -9.057 -24.373 -14.413 1.00 0.00 C ATOM 1313 O GLY A 87 -8.087 -23.901 -13.819 1.00 0.00 O ATOM 0 H GLY A 87 -10.202 -23.421 -17.060 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.754 -22.452 -15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.975 -23.436 -14.266 1.00 0.00 H new ATOM 1317 N THR A 88 -9.223 -25.678 -14.606 1.00 0.00 N ATOM 1318 CA THR A 88 -8.253 -26.651 -14.119 1.00 0.00 C ATOM 1319 C THR A 88 -7.415 -27.211 -15.263 1.00 0.00 C ATOM 1320 O THR A 88 -7.951 -27.699 -16.257 1.00 0.00 O ATOM 1321 CB THR A 88 -8.946 -27.816 -13.387 1.00 0.00 C ATOM 1322 OG1 THR A 88 -10.043 -28.302 -14.168 1.00 0.00 O ATOM 1323 CG2 THR A 88 -9.446 -27.375 -12.020 1.00 0.00 C ATOM 0 H THR A 88 -10.020 -26.085 -15.096 1.00 0.00 H new ATOM 0 HA THR A 88 -7.603 -26.127 -13.419 1.00 0.00 H new ATOM 0 HB THR A 88 -8.217 -28.615 -13.249 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.782 -28.339 -15.112 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.932 -28.214 -11.522 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.604 -27.033 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 88 -10.161 -26.561 -12.139 1.00 0.00 H new ATOM 1331 N VAL A 89 -6.096 -27.137 -15.115 1.00 0.00 N ATOM 1332 CA VAL A 89 -5.183 -27.638 -16.135 1.00 0.00 C ATOM 1333 C VAL A 89 -4.455 -28.888 -15.655 1.00 0.00 C ATOM 1334 O VAL A 89 -3.789 -28.872 -14.619 1.00 0.00 O ATOM 1335 CB VAL A 89 -4.143 -26.572 -16.530 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -4.025 -25.513 -15.445 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -2.794 -27.220 -16.804 1.00 0.00 C ATOM 0 H VAL A 89 -5.636 -26.735 -14.298 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.788 -27.886 -17.007 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.478 -26.084 -17.445 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.286 -24.769 -15.742 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.991 -25.028 -15.303 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.713 -25.982 -14.512 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.071 -26.453 -17.082 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.449 -27.736 -15.908 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.893 -27.937 -17.619 1.00 0.00 H new ATOM 1347 N TRP A 90 -4.586 -29.970 -16.413 1.00 0.00 N ATOM 1348 CA TRP A 90 -3.940 -31.231 -16.065 1.00 0.00 C ATOM 1349 C TRP A 90 -2.729 -31.486 -16.956 1.00 0.00 C ATOM 1350 O TRP A 90 -2.762 -31.215 -18.157 1.00 0.00 O ATOM 1351 CB TRP A 90 -4.933 -32.388 -16.188 1.00 0.00 C ATOM 1352 CG TRP A 90 -6.279 -32.080 -15.605 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -7.123 -31.073 -15.977 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -6.934 -32.784 -14.544 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -8.263 -31.108 -15.211 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -8.172 -32.149 -14.325 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -6.596 -33.889 -13.759 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -9.070 -32.584 -13.354 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -7.488 -34.319 -12.795 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -8.713 -33.668 -12.599 1.00 0.00 C ATOM 0 H TRP A 90 -5.134 -30.000 -17.273 1.00 0.00 H new ATOM 0 HA TRP A 90 -3.599 -31.163 -15.032 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -5.051 -32.646 -17.241 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -4.521 -33.265 -15.689 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -6.924 -30.355 -16.758 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -9.050 -30.463 -15.289 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -5.654 -34.398 -13.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -10.015 -32.084 -13.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -7.236 -35.172 -12.182 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -9.389 -34.029 -11.837 1.00 0.00 H new ATOM 1371 N HIS A 91 -1.662 -32.010 -16.362 1.00 0.00 N ATOM 1372 CA HIS A 91 -0.441 -32.303 -17.103 1.00 0.00 C ATOM 1373 C HIS A 91 -0.750 -33.099 -18.367 1.00 0.00 C ATOM 1374 O HIS A 91 -1.792 -33.747 -18.466 1.00 0.00 O ATOM 1375 CB HIS A 91 0.541 -33.080 -16.225 1.00 0.00 C ATOM 1376 CG HIS A 91 1.211 -32.236 -15.185 1.00 0.00 C ATOM 1377 ND1 HIS A 91 1.124 -32.496 -13.834 1.00 0.00 N ATOM 1378 CD2 HIS A 91 1.984 -31.131 -15.305 1.00 0.00 C ATOM 1379 CE1 HIS A 91 1.813 -31.587 -13.167 1.00 0.00 C ATOM 1380 NE2 HIS A 91 2.346 -30.748 -14.037 1.00 0.00 N ATOM 0 H HIS A 91 -1.618 -32.240 -15.369 1.00 0.00 H new ATOM 0 HA HIS A 91 0.014 -31.356 -17.393 1.00 0.00 H new ATOM 0 HB2 HIS A 91 0.010 -33.895 -15.733 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.303 -33.533 -16.859 1.00 0.00 H new ATOM 0 HD1 HIS A 91 0.608 -33.270 -13.415 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.264 -30.642 -16.226 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.922 -31.538 -12.094 1.00 0.00 H new ATOM 1388 N LYS A 92 0.161 -33.045 -19.333 1.00 0.00 N ATOM 1389 CA LYS A 92 -0.013 -33.761 -20.591 1.00 0.00 C ATOM 1390 C LYS A 92 -0.137 -35.262 -20.350 1.00 0.00 C ATOM 1391 O LYS A 92 -0.719 -35.984 -21.160 1.00 0.00 O ATOM 1392 CB LYS A 92 1.163 -33.479 -21.529 1.00 0.00 C ATOM 1393 CG LYS A 92 0.874 -32.400 -22.558 1.00 0.00 C ATOM 1394 CD LYS A 92 -0.196 -32.840 -23.543 1.00 0.00 C ATOM 1395 CE LYS A 92 0.410 -33.549 -24.745 1.00 0.00 C ATOM 1396 NZ LYS A 92 -0.562 -33.668 -25.866 1.00 0.00 N ATOM 0 H LYS A 92 1.028 -32.512 -19.268 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.933 -33.409 -21.057 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.027 -33.181 -20.935 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.433 -34.400 -22.046 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.551 -31.490 -22.052 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.789 -32.157 -23.098 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.900 -33.506 -23.044 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.762 -31.971 -23.879 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.290 -33.002 -25.084 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.747 -34.543 -24.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.111 -34.157 -26.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.391 -34.212 -25.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.864 -32.719 -26.166 1.00 0.00 H new ATOM 1410 N ASP A 93 0.414 -35.725 -19.233 1.00 0.00 N ATOM 1411 CA ASP A 93 0.363 -37.140 -18.885 1.00 0.00 C ATOM 1412 C ASP A 93 -0.898 -37.458 -18.088 1.00 0.00 C ATOM 1413 O ASP A 93 -1.478 -38.536 -18.227 1.00 0.00 O ATOM 1414 CB ASP A 93 1.603 -37.534 -18.081 1.00 0.00 C ATOM 1415 CG ASP A 93 1.825 -39.034 -18.057 1.00 0.00 C ATOM 1416 OD1 ASP A 93 2.270 -39.584 -19.087 1.00 0.00 O ATOM 1417 OD2 ASP A 93 1.555 -39.657 -17.009 1.00 0.00 O ATOM 0 H ASP A 93 0.901 -35.141 -18.553 1.00 0.00 H new ATOM 0 HA ASP A 93 0.341 -37.716 -19.810 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.479 -37.047 -18.508 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.501 -37.168 -17.059 1.00 0.00 H new ATOM 1422 N CYS A 94 -1.317 -36.515 -17.252 1.00 0.00 N ATOM 1423 CA CYS A 94 -2.509 -36.694 -16.430 1.00 0.00 C ATOM 1424 C CYS A 94 -3.773 -36.615 -17.281 1.00 0.00 C ATOM 1425 O CYS A 94 -4.782 -37.248 -16.973 1.00 0.00 O ATOM 1426 CB CYS A 94 -2.556 -35.636 -15.326 1.00 0.00 C ATOM 1427 SG CYS A 94 -1.182 -35.741 -14.136 1.00 0.00 S ATOM 0 H CYS A 94 -0.849 -35.618 -17.125 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.461 -37.683 -15.974 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.550 -34.647 -15.785 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.498 -35.731 -14.786 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.508 -35.121 -13.041 1.00 0.00 H new ATOM 1432 N PHE A 95 -3.709 -35.832 -18.354 1.00 0.00 N ATOM 1433 CA PHE A 95 -4.849 -35.669 -19.249 1.00 0.00 C ATOM 1434 C PHE A 95 -4.711 -36.569 -20.474 1.00 0.00 C ATOM 1435 O PHE A 95 -4.227 -36.139 -21.521 1.00 0.00 O ATOM 1436 CB PHE A 95 -4.975 -34.208 -19.687 1.00 0.00 C ATOM 1437 CG PHE A 95 -6.393 -33.776 -19.930 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -7.268 -34.589 -20.633 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -6.850 -32.557 -19.457 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -8.573 -34.195 -20.858 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -8.154 -32.157 -19.680 1.00 0.00 C ATOM 1442 CZ PHE A 95 -9.017 -32.977 -20.382 1.00 0.00 C ATOM 0 H PHE A 95 -2.881 -35.301 -18.624 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.750 -35.958 -18.707 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.535 -33.568 -18.922 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.397 -34.059 -20.599 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.926 -35.542 -21.009 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.180 -31.912 -18.908 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.245 -34.839 -21.406 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.498 -31.204 -19.306 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.036 -32.666 -20.558 1.00 0.00 H new