USER MOD reduce.3.24.130724 H: found=0, std=0, add=1202, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1195 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 NoAdj-H: B 240 HIS HE2 : B 240 HIS NE2 : B 301 ZNZN :(H bumps) USER MOD NoAdj-H: B 242 HIS HD1 : B 242 HIS ND1 : B 301 ZNZN :(H bumps) USER MOD Set 1.1: B 218 THR OG1 : rot 41:sc= 1.01 USER MOD Set 1.2: B 246 LYS NZ :NH3+ 164:sc= -6.08! (180deg=-6.59!) USER MOD Set 2.1: B 233 ASN : amide:sc= -1.94! C(o=-1!,f=-5.3!) USER MOD Set 2.2: B 237 THR OG1 : rot 79:sc= 0.903 USER MOD Set 3.1: A 98 HIS : no HD1:sc= -0.0317 X(o=-0.032,f=0.044) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 51 TYR OH : rot -88:sc= 0.949 USER MOD Set 4.2: A 55 GLN : amide:sc= -5.98! C(o=-5!,f=-7.2!) USER MOD Set 5.1: A 43 HIS : no HD1:sc= -1.57 K(o=-4,f=-4.6!) USER MOD Set 5.2: A 76 THR OG1 : rot 180:sc= -2.47 USER MOD Single : A 0 SER OG : rot 120:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.85) USER MOD Single : A 7 LYS NZ :NH3+ -100:sc= -0.667 (180deg=-1.88!) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00673 USER MOD Single : A -1 GLY N :NH3+ -167:sc=-0.00135 (180deg=-0.172) USER MOD Single : A 10 THR OG1 : rot 62:sc= 0.082 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 159:sc= -0.0576 (180deg=-0.532) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.0754 (180deg=-0.797) USER MOD Single : A 25 LYS NZ :NH3+ -97:sc= -0.633 (180deg=-2!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 SER OG : rot 72:sc= 0.93 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-5.6!) USER MOD Single : A 37 LYS NZ :NH3+ -134:sc= -0.933 (180deg=-1.98) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 151:sc= -0.191 (180deg=-2.42!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.85 (180deg=-1.12) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 69:sc= -7.42! USER MOD Single : A 53 GLN : amide:sc= -1.04 K(o=-1,f=-3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -6.44! C(o=-6.4!,f=-12!) USER MOD Single : A 61 SER OG : rot 130:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0012 K(o=-0.0012,f=-1.6!) USER MOD Single : A 74 ASN : amide:sc= -1.37! C(o=-1.4!,f=-6.8!) USER MOD Single : A 75 HIS : no HE2:sc= -8.31! C(o=-8.3!,f=-14!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -112:sc= -0.197 (180deg=-2.7!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -3.94! C(o=-3.9!,f=-4.6!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 95 THR OG1 : rot 122:sc= 1.17 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 202 GLN : amide:sc= -1.05 K(o=-1.1,f=-7.7!) USER MOD Single : B 207 TYR OH : rot 180:sc= 0 USER MOD Single : B 208 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.8!) USER MOD Single : B 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 HIS : no HE2:sc= -0.621 K(o=-0.62,f=-2.6) USER MOD Single : B 215 HIS : no HE2:sc= -0.0471 X(o=-0.047,f=-0.46) USER MOD Single : B 221 HIS : no HE2:sc= -8.42! C(o=-8.4!,f=-12!) USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 228 TYR OH : rot 180:sc= 0 USER MOD Single : B 235 TYR OH : rot 180:sc= 0 USER MOD Single : B 236 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.7!) USER MOD Single : B 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 SER OG : rot 180:sc= -0.723 USER MOD Single : B 243 LYS NZ :NH3+ -170:sc= -0.0015 (180deg=-0.111) USER MOD Single : B 244 MET CE :methyl 164:sc= -1.53 (180deg=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 24.434 -15.254 -30.470 1.00 0.00 N ATOM 2 CA GLY A -1 23.658 -14.157 -31.113 1.00 0.00 C ATOM 3 C GLY A -1 22.225 -14.617 -31.351 1.00 0.00 C ATOM 4 O GLY A -1 21.280 -13.844 -31.191 1.00 0.00 O ATOM 0 H1 GLY A -1 25.334 -14.877 -30.109 1.00 0.00 H new ATOM 0 H2 GLY A -1 23.885 -15.652 -29.682 1.00 0.00 H new ATOM 0 H3 GLY A -1 24.626 -15.999 -31.169 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.666 -13.271 -30.478 1.00 0.00 H new ATOM 0 HA3 GLY A -1 24.122 -13.875 -32.058 1.00 0.00 H new ATOM 10 N SER A 0 22.070 -15.881 -31.735 1.00 0.00 N ATOM 11 CA SER A 0 20.743 -16.433 -31.992 1.00 0.00 C ATOM 12 C SER A 0 19.980 -16.618 -30.685 1.00 0.00 C ATOM 13 O SER A 0 20.573 -16.662 -29.607 1.00 0.00 O ATOM 14 CB SER A 0 20.868 -17.775 -32.711 1.00 0.00 C ATOM 15 OG SER A 0 21.103 -18.801 -31.754 1.00 0.00 O ATOM 0 H SER A 0 22.839 -16.537 -31.874 1.00 0.00 H new ATOM 0 HA SER A 0 20.193 -15.735 -32.623 1.00 0.00 H new ATOM 0 HB2 SER A 0 19.957 -17.986 -33.272 1.00 0.00 H new ATOM 0 HB3 SER A 0 21.685 -17.740 -33.432 1.00 0.00 H new ATOM 0 HG SER A 0 20.377 -19.458 -31.794 1.00 0.00 H new ATOM 21 N MET A 1 18.659 -16.723 -30.786 1.00 0.00 N ATOM 22 CA MET A 1 17.820 -16.901 -29.606 1.00 0.00 C ATOM 23 C MET A 1 18.137 -18.226 -28.919 1.00 0.00 C ATOM 24 O MET A 1 18.165 -18.312 -27.691 1.00 0.00 O ATOM 25 CB MET A 1 16.345 -16.872 -30.007 1.00 0.00 C ATOM 26 CG MET A 1 15.935 -15.437 -30.337 1.00 0.00 C ATOM 27 SD MET A 1 14.193 -15.411 -30.835 1.00 0.00 S ATOM 28 CE MET A 1 14.140 -13.705 -31.446 1.00 0.00 C ATOM 0 H MET A 1 18.148 -16.688 -31.668 1.00 0.00 H new ATOM 0 HA MET A 1 18.024 -16.087 -28.911 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.179 -17.517 -30.870 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.729 -17.260 -29.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.087 -14.795 -29.470 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.560 -15.043 -31.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.137 -13.479 -31.807 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.398 -13.021 -30.638 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.854 -13.588 -32.262 1.00 0.00 H new ATOM 38 N SER A 2 18.369 -19.256 -29.725 1.00 0.00 N ATOM 39 CA SER A 2 18.676 -20.581 -29.200 1.00 0.00 C ATOM 40 C SER A 2 19.726 -21.273 -30.062 1.00 0.00 C ATOM 41 O SER A 2 19.802 -21.048 -31.269 1.00 0.00 O ATOM 42 CB SER A 2 17.412 -21.439 -29.140 1.00 0.00 C ATOM 43 OG SER A 2 17.729 -22.710 -28.585 1.00 0.00 O ATOM 0 H SER A 2 18.350 -19.199 -30.743 1.00 0.00 H new ATOM 0 HA SER A 2 19.073 -20.460 -28.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.652 -20.945 -28.534 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.994 -21.560 -30.139 1.00 0.00 H new ATOM 0 HG SER A 2 16.919 -23.260 -28.544 1.00 0.00 H new ATOM 49 N ASP A 3 20.533 -22.109 -29.425 1.00 0.00 N ATOM 50 CA ASP A 3 21.584 -22.828 -30.129 1.00 0.00 C ATOM 51 C ASP A 3 20.978 -23.734 -31.190 1.00 0.00 C ATOM 52 O ASP A 3 21.537 -23.885 -32.277 1.00 0.00 O ATOM 53 CB ASP A 3 22.405 -23.673 -29.154 1.00 0.00 C ATOM 54 CG ASP A 3 23.297 -22.774 -28.306 1.00 0.00 C ATOM 55 OD1 ASP A 3 23.460 -21.622 -28.670 1.00 0.00 O1- ATOM 56 OD2 ASP A 3 23.804 -23.250 -27.305 1.00 0.00 O ATOM 0 H ASP A 3 20.480 -22.306 -28.425 1.00 0.00 H new ATOM 0 HA ASP A 3 22.238 -22.096 -30.603 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.740 -24.250 -28.511 1.00 0.00 H new ATOM 0 HB3 ASP A 3 23.015 -24.389 -29.705 1.00 0.00 H new ATOM 61 N GLN A 4 19.846 -24.352 -30.874 1.00 0.00 N ATOM 62 CA GLN A 4 19.217 -25.254 -31.826 1.00 0.00 C ATOM 63 C GLN A 4 18.869 -24.532 -33.116 1.00 0.00 C ATOM 64 O GLN A 4 19.185 -25.035 -34.189 1.00 0.00 O ATOM 65 CB GLN A 4 17.921 -25.803 -31.219 1.00 0.00 C ATOM 66 CG GLN A 4 17.264 -26.812 -32.172 1.00 0.00 C ATOM 67 CD GLN A 4 18.168 -28.027 -32.341 1.00 0.00 C ATOM 68 OE1 GLN A 4 18.785 -28.481 -31.377 1.00 0.00 O ATOM 69 NE2 GLN A 4 18.293 -28.578 -33.516 1.00 0.00 N ATOM 0 H GLN A 4 19.355 -24.248 -29.986 1.00 0.00 H new ATOM 0 HA GLN A 4 19.918 -26.059 -32.046 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.135 -26.283 -30.264 1.00 0.00 H new ATOM 0 HB3 GLN A 4 17.232 -24.983 -31.017 1.00 0.00 H new ATOM 0 HG2 GLN A 4 16.295 -27.120 -31.779 1.00 0.00 H new ATOM 0 HG3 GLN A 4 17.081 -26.346 -33.140 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.781 -28.201 -34.313 1.00 0.00 H new ATOM 0 HE22 GLN A 4 18.903 -29.387 -33.638 1.00 0.00 H new ATOM 78 N GLU A 5 18.241 -23.358 -32.998 1.00 0.00 N ATOM 79 CA GLU A 5 17.847 -22.569 -34.171 1.00 0.00 C ATOM 80 C GLU A 5 16.951 -21.403 -33.757 1.00 0.00 C ATOM 81 O GLU A 5 17.361 -20.245 -33.796 1.00 0.00 O ATOM 82 CB GLU A 5 17.090 -23.442 -35.197 1.00 0.00 C ATOM 83 CG GLU A 5 16.659 -22.594 -36.392 1.00 0.00 C ATOM 84 CD GLU A 5 15.923 -23.473 -37.394 1.00 0.00 C ATOM 85 OE1 GLU A 5 14.764 -23.768 -37.154 1.00 0.00 O1- ATOM 86 OE2 GLU A 5 16.532 -23.847 -38.382 1.00 0.00 O ATOM 0 H GLU A 5 17.995 -22.933 -32.104 1.00 0.00 H new ATOM 0 HA GLU A 5 18.759 -22.186 -34.630 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.729 -24.259 -35.533 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.216 -23.893 -34.727 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.013 -21.781 -36.061 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.530 -22.138 -36.862 1.00 0.00 H new ATOM 93 N ALA A 6 15.713 -21.722 -33.378 1.00 0.00 N ATOM 94 CA ALA A 6 14.758 -20.694 -32.978 1.00 0.00 C ATOM 95 C ALA A 6 13.772 -21.234 -31.954 1.00 0.00 C ATOM 96 O ALA A 6 13.492 -22.431 -31.920 1.00 0.00 O ATOM 97 CB ALA A 6 13.994 -20.209 -34.204 1.00 0.00 C ATOM 0 H ALA A 6 15.352 -22.675 -33.340 1.00 0.00 H new ATOM 0 HA ALA A 6 15.309 -19.869 -32.527 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.280 -19.441 -33.907 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.694 -19.793 -34.928 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.460 -21.046 -34.655 1.00 0.00 H new ATOM 103 N LYS A 7 13.249 -20.344 -31.117 1.00 0.00 N ATOM 104 CA LYS A 7 12.298 -20.761 -30.097 1.00 0.00 C ATOM 105 C LYS A 7 10.895 -20.911 -30.690 1.00 0.00 C ATOM 106 O LYS A 7 10.528 -20.186 -31.611 1.00 0.00 O ATOM 107 CB LYS A 7 12.271 -19.737 -28.962 1.00 0.00 C ATOM 108 CG LYS A 7 13.676 -19.588 -28.394 1.00 0.00 C ATOM 109 CD LYS A 7 13.604 -18.950 -27.011 1.00 0.00 C ATOM 110 CE LYS A 7 12.925 -19.917 -26.041 1.00 0.00 C ATOM 111 NZ LYS A 7 11.517 -19.486 -25.821 1.00 0.00 N1+ ATOM 0 H LYS A 7 13.463 -19.347 -31.124 1.00 0.00 H new ATOM 0 HA LYS A 7 12.615 -21.728 -29.707 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.910 -18.777 -29.330 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.582 -20.059 -28.181 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.159 -20.563 -28.331 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.284 -18.973 -29.058 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.606 -18.707 -26.658 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.047 -18.014 -27.059 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.949 -20.930 -26.443 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.463 -19.937 -25.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.449 -18.970 -24.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.218 -18.865 -26.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.899 -20.322 -25.789 1.00 0.00 H new ATOM 125 N PRO A 8 10.102 -21.826 -30.175 1.00 0.00 N ATOM 126 CA PRO A 8 8.711 -22.046 -30.672 1.00 0.00 C ATOM 127 C PRO A 8 7.805 -20.845 -30.421 1.00 0.00 C ATOM 128 O PRO A 8 6.814 -20.644 -31.122 1.00 0.00 O ATOM 129 CB PRO A 8 8.076 -22.634 -29.520 1.00 0.00 C ATOM 130 CG PRO A 8 9.079 -23.237 -28.598 1.00 0.00 C ATOM 131 CD PRO A 8 10.436 -22.747 -29.075 1.00 0.00 C ATOM 0 HA PRO A 8 8.791 -22.455 -31.679 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.503 -21.873 -28.990 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.369 -23.399 -29.842 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.894 -22.932 -27.568 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.027 -24.325 -28.623 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.982 -22.240 -28.279 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.063 -23.571 -29.417 1.00 0.00 H new ATOM 139 N SER A 9 8.140 -20.060 -29.402 1.00 0.00 N ATOM 140 CA SER A 9 7.347 -18.889 -29.043 1.00 0.00 C ATOM 141 C SER A 9 5.917 -19.293 -28.659 1.00 0.00 C ATOM 142 O SER A 9 5.221 -18.551 -27.965 1.00 0.00 O ATOM 143 CB SER A 9 7.293 -17.918 -30.222 1.00 0.00 C ATOM 144 OG SER A 9 8.553 -17.908 -30.879 1.00 0.00 O ATOM 0 H SER A 9 8.956 -20.214 -28.810 1.00 0.00 H new ATOM 0 HA SER A 9 7.820 -18.408 -28.186 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.509 -18.216 -30.918 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.044 -16.916 -29.872 1.00 0.00 H new ATOM 0 HG SER A 9 8.522 -17.288 -31.637 1.00 0.00 H new ATOM 150 N THR A 10 5.492 -20.476 -29.102 1.00 0.00 N ATOM 151 CA THR A 10 4.160 -20.967 -28.792 1.00 0.00 C ATOM 152 C THR A 10 4.001 -21.170 -27.291 1.00 0.00 C ATOM 153 O THR A 10 2.987 -20.795 -26.706 1.00 0.00 O ATOM 154 CB THR A 10 3.916 -22.290 -29.522 1.00 0.00 C ATOM 155 OG1 THR A 10 3.968 -22.068 -30.924 1.00 0.00 O ATOM 156 CG2 THR A 10 2.542 -22.836 -29.142 1.00 0.00 C ATOM 0 H THR A 10 6.053 -21.107 -29.675 1.00 0.00 H new ATOM 0 HA THR A 10 3.429 -20.229 -29.122 1.00 0.00 H new ATOM 0 HB THR A 10 4.682 -23.011 -29.238 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.858 -21.739 -31.170 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.368 -23.778 -29.662 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.502 -23.003 -28.066 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.773 -22.117 -29.427 1.00 0.00 H new ATOM 164 N GLU A 11 5.011 -21.781 -26.675 1.00 0.00 N ATOM 165 CA GLU A 11 4.970 -22.041 -25.242 1.00 0.00 C ATOM 166 C GLU A 11 4.912 -20.730 -24.465 1.00 0.00 C ATOM 167 O GLU A 11 4.162 -20.605 -23.498 1.00 0.00 O ATOM 168 CB GLU A 11 6.208 -22.838 -24.819 1.00 0.00 C ATOM 169 CG GLU A 11 6.123 -23.165 -23.324 1.00 0.00 C ATOM 170 CD GLU A 11 7.331 -23.994 -22.900 1.00 0.00 C ATOM 171 OE1 GLU A 11 8.266 -24.084 -23.679 1.00 0.00 O ATOM 172 OE2 GLU A 11 7.304 -24.526 -21.801 1.00 0.00 O1- ATOM 0 H GLU A 11 5.859 -22.102 -27.142 1.00 0.00 H new ATOM 0 HA GLU A 11 4.075 -22.622 -25.020 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.276 -23.758 -25.399 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.111 -22.263 -25.025 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.083 -22.243 -22.744 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.204 -23.713 -23.115 1.00 0.00 H new ATOM 179 N ASP A 12 5.705 -19.756 -24.896 1.00 0.00 N ATOM 180 CA ASP A 12 5.728 -18.460 -24.230 1.00 0.00 C ATOM 181 C ASP A 12 4.746 -17.504 -24.896 1.00 0.00 C ATOM 182 O ASP A 12 5.013 -16.986 -25.980 1.00 0.00 O ATOM 183 CB ASP A 12 7.139 -17.870 -24.291 1.00 0.00 C ATOM 184 CG ASP A 12 8.060 -18.617 -23.331 1.00 0.00 C ATOM 185 OD1 ASP A 12 7.644 -19.648 -22.827 1.00 0.00 O ATOM 186 OD2 ASP A 12 9.164 -18.150 -23.115 1.00 0.00 O1- ATOM 0 H ASP A 12 6.334 -19.837 -25.695 1.00 0.00 H new ATOM 0 HA ASP A 12 5.436 -18.598 -23.189 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.527 -17.939 -25.307 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.111 -16.812 -24.031 1.00 0.00 H new ATOM 191 N LEU A 13 3.613 -17.265 -24.238 1.00 0.00 N ATOM 192 CA LEU A 13 2.604 -16.360 -24.776 1.00 0.00 C ATOM 193 C LEU A 13 2.491 -15.114 -23.909 1.00 0.00 C ATOM 194 O LEU A 13 2.319 -15.201 -22.693 1.00 0.00 O ATOM 195 CB LEU A 13 1.250 -17.074 -24.830 1.00 0.00 C ATOM 196 CG LEU A 13 1.357 -18.316 -25.721 1.00 0.00 C ATOM 197 CD1 LEU A 13 0.022 -19.061 -25.727 1.00 0.00 C ATOM 198 CD2 LEU A 13 1.713 -17.904 -27.155 1.00 0.00 C ATOM 0 H LEU A 13 3.373 -17.683 -23.339 1.00 0.00 H new ATOM 0 HA LEU A 13 2.900 -16.061 -25.782 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.939 -17.361 -23.826 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.487 -16.400 -25.220 1.00 0.00 H new ATOM 0 HG LEU A 13 2.138 -18.967 -25.328 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.101 -19.944 -26.361 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.229 -19.366 -24.711 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.759 -18.406 -26.113 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.787 -18.793 -27.781 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.937 -17.247 -27.548 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.668 -17.379 -27.156 1.00 0.00 H new ATOM 210 N GLY A 14 2.584 -13.951 -24.543 1.00 0.00 N ATOM 211 CA GLY A 14 2.486 -12.688 -23.827 1.00 0.00 C ATOM 212 C GLY A 14 3.802 -12.353 -23.135 1.00 0.00 C ATOM 213 O GLY A 14 4.762 -13.122 -23.199 1.00 0.00 O ATOM 0 H GLY A 14 2.727 -13.858 -25.549 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.222 -11.891 -24.522 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.686 -12.745 -23.089 1.00 0.00 H new ATOM 217 N ASP A 15 3.838 -11.209 -22.461 1.00 0.00 N ATOM 218 CA ASP A 15 5.036 -10.792 -21.744 1.00 0.00 C ATOM 219 C ASP A 15 4.668 -10.051 -20.465 1.00 0.00 C ATOM 220 O ASP A 15 4.335 -8.866 -20.500 1.00 0.00 O ATOM 221 CB ASP A 15 5.886 -9.886 -22.635 1.00 0.00 C ATOM 222 CG ASP A 15 7.189 -9.531 -21.931 1.00 0.00 C ATOM 223 OD1 ASP A 15 7.323 -9.870 -20.766 1.00 0.00 O1- ATOM 224 OD2 ASP A 15 8.035 -8.921 -22.564 1.00 0.00 O ATOM 0 H ASP A 15 3.056 -10.557 -22.396 1.00 0.00 H new ATOM 0 HA ASP A 15 5.606 -11.683 -21.480 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.099 -10.388 -23.579 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.334 -8.977 -22.874 1.00 0.00 H new ATOM 229 N LYS A 16 4.733 -10.752 -19.335 1.00 0.00 N ATOM 230 CA LYS A 16 4.412 -10.143 -18.049 1.00 0.00 C ATOM 231 C LYS A 16 5.508 -10.423 -17.029 1.00 0.00 C ATOM 232 O LYS A 16 6.092 -11.508 -17.014 1.00 0.00 O ATOM 233 CB LYS A 16 3.078 -10.692 -17.534 1.00 0.00 C ATOM 234 CG LYS A 16 1.947 -10.233 -18.455 1.00 0.00 C ATOM 235 CD LYS A 16 0.618 -10.792 -17.950 1.00 0.00 C ATOM 236 CE LYS A 16 -0.514 -10.328 -18.869 1.00 0.00 C ATOM 237 NZ LYS A 16 -1.810 -10.882 -18.380 1.00 0.00 N1+ ATOM 0 H LYS A 16 5.003 -11.734 -19.285 1.00 0.00 H new ATOM 0 HA LYS A 16 4.335 -9.065 -18.189 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.111 -11.781 -17.496 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.897 -10.343 -16.517 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.908 -9.144 -18.485 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.133 -10.573 -19.474 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.656 -11.881 -17.924 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.434 -10.455 -16.930 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.557 -9.239 -18.890 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.327 -10.659 -19.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.580 -10.567 -19.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.766 -11.921 -18.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.989 -10.545 -17.413 1.00 0.00 H new ATOM 251 N LYS A 17 5.784 -9.445 -16.172 1.00 0.00 N ATOM 252 CA LYS A 17 6.810 -9.611 -15.149 1.00 0.00 C ATOM 253 C LYS A 17 6.453 -10.751 -14.201 1.00 0.00 C ATOM 254 O LYS A 17 7.296 -11.585 -13.875 1.00 0.00 O ATOM 255 CB LYS A 17 6.967 -8.309 -14.358 1.00 0.00 C ATOM 256 CG LYS A 17 8.123 -8.441 -13.362 1.00 0.00 C ATOM 257 CD LYS A 17 8.308 -7.122 -12.613 1.00 0.00 C ATOM 258 CE LYS A 17 9.473 -7.258 -11.632 1.00 0.00 C ATOM 259 NZ LYS A 17 10.740 -7.455 -12.383 1.00 0.00 N1+ ATOM 0 H LYS A 17 5.317 -8.538 -16.165 1.00 0.00 H new ATOM 0 HA LYS A 17 7.751 -9.855 -15.641 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.156 -7.480 -15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.042 -8.082 -13.827 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.918 -9.246 -12.656 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.041 -8.704 -13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.504 -6.314 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.395 -6.863 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.543 -6.366 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.301 -8.101 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.546 -7.196 -11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.825 -8.452 -12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.737 -6.854 -13.232 1.00 0.00 H new ATOM 273 N GLU A 18 5.200 -10.778 -13.761 1.00 0.00 N ATOM 274 CA GLU A 18 4.746 -11.817 -12.847 1.00 0.00 C ATOM 275 C GLU A 18 5.721 -11.970 -11.685 1.00 0.00 C ATOM 276 O GLU A 18 5.865 -13.056 -11.122 1.00 0.00 O ATOM 277 CB GLU A 18 4.624 -13.150 -13.586 1.00 0.00 C ATOM 278 CG GLU A 18 3.481 -13.065 -14.599 1.00 0.00 C ATOM 279 CD GLU A 18 3.401 -14.358 -15.405 1.00 0.00 C ATOM 280 OE1 GLU A 18 4.180 -15.255 -15.127 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 2.562 -14.433 -16.287 1.00 0.00 O ATOM 0 H GLU A 18 4.486 -10.097 -14.020 1.00 0.00 H new ATOM 0 HA GLU A 18 3.770 -11.527 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.559 -13.384 -14.095 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.437 -13.956 -12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.538 -12.890 -14.082 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.639 -12.219 -15.268 1.00 0.00 H new ATOM 288 N GLY A 19 6.383 -10.874 -11.331 1.00 0.00 N ATOM 289 CA GLY A 19 7.345 -10.883 -10.232 1.00 0.00 C ATOM 290 C GLY A 19 6.927 -9.918 -9.129 1.00 0.00 C ATOM 291 O GLY A 19 6.653 -10.327 -8.001 1.00 0.00 O ATOM 0 H GLY A 19 6.272 -9.969 -11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.428 -11.891 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.331 -10.608 -10.606 1.00 0.00 H new ATOM 295 N GLU A 20 6.891 -8.632 -9.461 1.00 0.00 N ATOM 296 CA GLU A 20 6.515 -7.618 -8.488 1.00 0.00 C ATOM 297 C GLU A 20 5.078 -7.843 -8.014 1.00 0.00 C ATOM 298 O GLU A 20 4.776 -7.696 -6.828 1.00 0.00 O ATOM 299 CB GLU A 20 6.639 -6.220 -9.112 1.00 0.00 C ATOM 300 CG GLU A 20 6.269 -5.143 -8.083 1.00 0.00 C ATOM 301 CD GLU A 20 7.270 -5.163 -6.935 1.00 0.00 C ATOM 302 OE1 GLU A 20 8.355 -5.686 -7.131 1.00 0.00 O ATOM 303 OE2 GLU A 20 6.937 -4.661 -5.874 1.00 0.00 O1- ATOM 0 H GLU A 20 7.116 -8.271 -10.388 1.00 0.00 H new ATOM 0 HA GLU A 20 7.186 -7.692 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.658 -6.061 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.985 -6.143 -9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.264 -4.161 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.263 -5.320 -7.704 1.00 0.00 H new ATOM 310 N TYR A 21 4.196 -8.186 -8.955 1.00 0.00 N ATOM 311 CA TYR A 21 2.783 -8.414 -8.636 1.00 0.00 C ATOM 312 C TYR A 21 2.540 -9.897 -8.377 1.00 0.00 C ATOM 313 O TYR A 21 3.298 -10.740 -8.854 1.00 0.00 O ATOM 314 CB TYR A 21 1.892 -7.920 -9.770 1.00 0.00 C ATOM 315 CG TYR A 21 2.081 -6.430 -9.938 1.00 0.00 C ATOM 316 CD1 TYR A 21 1.287 -5.524 -9.215 1.00 0.00 C ATOM 317 CD2 TYR A 21 3.051 -5.951 -10.829 1.00 0.00 C ATOM 318 CE1 TYR A 21 1.465 -4.144 -9.391 1.00 0.00 C ATOM 319 CE2 TYR A 21 3.228 -4.575 -11.000 1.00 0.00 C ATOM 320 CZ TYR A 21 2.434 -3.672 -10.282 1.00 0.00 C ATOM 321 OH TYR A 21 2.608 -2.314 -10.456 1.00 0.00 O ATOM 0 H TYR A 21 4.432 -8.312 -9.939 1.00 0.00 H new ATOM 0 HA TYR A 21 2.533 -7.853 -7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.142 -8.437 -10.696 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.848 -8.144 -9.552 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.541 -5.890 -8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.663 -6.646 -11.385 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.854 -3.446 -8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.977 -4.208 -11.686 1.00 0.00 H new ATOM 0 HH TYR A 21 3.322 -2.157 -11.109 1.00 0.00 H new ATOM 331 N ILE A 22 1.497 -10.223 -7.605 1.00 0.00 N ATOM 332 CA ILE A 22 1.194 -11.611 -7.278 1.00 0.00 C ATOM 333 C ILE A 22 -0.287 -11.857 -7.480 1.00 0.00 C ATOM 334 O ILE A 22 -1.051 -10.909 -7.618 1.00 0.00 O ATOM 335 CB ILE A 22 1.569 -11.904 -5.823 1.00 0.00 C ATOM 336 CG1 ILE A 22 0.689 -11.084 -4.858 1.00 0.00 C ATOM 337 CG2 ILE A 22 3.035 -11.534 -5.611 1.00 0.00 C ATOM 338 CD1 ILE A 22 1.036 -11.444 -3.420 1.00 0.00 C ATOM 0 H ILE A 22 0.854 -9.544 -7.199 1.00 0.00 H new ATOM 0 HA ILE A 22 1.770 -12.268 -7.929 1.00 0.00 H new ATOM 0 HB ILE A 22 1.410 -12.963 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.845 -10.018 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.365 -11.286 -5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.316 -11.738 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.660 -12.125 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.177 -10.474 -5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.413 -10.864 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.858 -12.507 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.086 -11.219 -3.232 1.00 0.00 H new ATOM 350 N LYS A 23 -0.697 -13.115 -7.464 1.00 0.00 N ATOM 351 CA LYS A 23 -2.113 -13.429 -7.621 1.00 0.00 C ATOM 352 C LYS A 23 -2.735 -13.776 -6.286 1.00 0.00 C ATOM 353 O LYS A 23 -2.677 -14.930 -5.854 1.00 0.00 O ATOM 354 CB LYS A 23 -2.263 -14.605 -8.587 1.00 0.00 C ATOM 355 CG LYS A 23 -3.740 -14.884 -8.866 1.00 0.00 C ATOM 356 CD LYS A 23 -3.850 -15.986 -9.918 1.00 0.00 C ATOM 357 CE LYS A 23 -5.320 -16.249 -10.205 1.00 0.00 C ATOM 358 NZ LYS A 23 -5.937 -15.022 -10.784 1.00 0.00 N1+ ATOM 0 H LYS A 23 -0.086 -13.923 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.628 -12.555 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.746 -14.384 -9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.793 -15.493 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.245 -15.188 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.234 -13.978 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.335 -15.688 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.367 -16.896 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.423 -17.084 -10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.836 -16.531 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.803 -15.279 -11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.174 -14.359 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.265 -14.571 -11.437 1.00 0.00 H new ATOM 372 N LEU A 24 -3.363 -12.782 -5.644 1.00 0.00 N ATOM 373 CA LEU A 24 -4.023 -12.999 -4.370 1.00 0.00 C ATOM 374 C LEU A 24 -5.530 -12.879 -4.520 1.00 0.00 C ATOM 375 O LEU A 24 -6.043 -11.894 -5.054 1.00 0.00 O ATOM 376 CB LEU A 24 -3.498 -12.022 -3.306 1.00 0.00 C ATOM 377 CG LEU A 24 -4.319 -12.162 -2.015 1.00 0.00 C ATOM 378 CD1 LEU A 24 -4.285 -13.596 -1.522 1.00 0.00 C ATOM 379 CD2 LEU A 24 -3.690 -11.293 -0.930 1.00 0.00 C ATOM 0 H LEU A 24 -3.422 -11.825 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.794 -14.011 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.446 -12.224 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.560 -10.999 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.346 -11.860 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.871 -13.680 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.706 -14.253 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.254 -13.887 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.266 -11.386 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.665 -11.619 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.688 -10.252 -1.253 1.00 0.00 H new ATOM 391 N LYS A 25 -6.223 -13.913 -4.068 1.00 0.00 N ATOM 392 CA LYS A 25 -7.675 -13.976 -4.162 1.00 0.00 C ATOM 393 C LYS A 25 -8.308 -14.598 -2.927 1.00 0.00 C ATOM 394 O LYS A 25 -7.630 -15.200 -2.093 1.00 0.00 O ATOM 395 CB LYS A 25 -8.060 -14.740 -5.425 1.00 0.00 C ATOM 396 CG LYS A 25 -7.159 -15.966 -5.591 1.00 0.00 C ATOM 397 CD LYS A 25 -7.513 -16.674 -6.893 1.00 0.00 C ATOM 398 CE LYS A 25 -6.549 -17.837 -7.103 1.00 0.00 C ATOM 399 NZ LYS A 25 -6.883 -18.549 -8.367 1.00 0.00 N1+ ATOM 0 H LYS A 25 -5.798 -14.729 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.061 -12.958 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.103 -15.050 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.968 -14.090 -6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.112 -15.664 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.288 -16.644 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.540 -17.038 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.451 -15.978 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.524 -17.469 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.608 -18.526 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.473 -19.378 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.404 -17.908 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.006 -18.859 -8.833 1.00 0.00 H new ATOM 413 N VAL A 26 -9.624 -14.446 -2.830 1.00 0.00 N ATOM 414 CA VAL A 26 -10.357 -15.004 -1.701 1.00 0.00 C ATOM 415 C VAL A 26 -11.619 -15.719 -2.163 1.00 0.00 C ATOM 416 O VAL A 26 -12.195 -15.380 -3.198 1.00 0.00 O ATOM 417 CB VAL A 26 -10.729 -13.886 -0.728 1.00 0.00 C ATOM 418 CG1 VAL A 26 -9.452 -13.202 -0.234 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.617 -12.862 -1.439 1.00 0.00 C ATOM 0 H VAL A 26 -10.198 -13.948 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.715 -15.731 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.271 -14.305 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.712 -12.403 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.821 -13.932 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.912 -12.783 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.882 -12.065 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.078 -12.440 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.525 -13.351 -1.793 1.00 0.00 H new ATOM 429 N ILE A 27 -12.048 -16.705 -1.381 1.00 0.00 N ATOM 430 CA ILE A 27 -13.248 -17.460 -1.706 1.00 0.00 C ATOM 431 C ILE A 27 -13.995 -17.903 -0.437 1.00 0.00 C ATOM 432 O ILE A 27 -13.748 -18.972 0.112 1.00 0.00 O ATOM 433 CB ILE A 27 -12.869 -18.677 -2.566 1.00 0.00 C ATOM 434 CG1 ILE A 27 -11.698 -19.438 -1.912 1.00 0.00 C ATOM 435 CG2 ILE A 27 -12.467 -18.226 -3.973 1.00 0.00 C ATOM 436 CD1 ILE A 27 -11.464 -20.753 -2.651 1.00 0.00 C ATOM 0 H ILE A 27 -11.583 -16.997 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.922 -16.815 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.733 -19.337 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.795 -18.828 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.919 -19.633 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.201 -19.097 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.303 -17.705 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.611 -17.554 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.636 -21.289 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.365 -21.364 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.223 -20.546 -3.694 1.00 0.00 H new ATOM 448 N GLY A 28 -14.923 -17.085 0.025 1.00 0.00 N ATOM 449 CA GLY A 28 -15.687 -17.431 1.215 1.00 0.00 C ATOM 450 C GLY A 28 -16.634 -18.584 0.926 1.00 0.00 C ATOM 451 O GLY A 28 -16.920 -18.900 -0.229 1.00 0.00 O ATOM 0 H GLY A 28 -15.166 -16.188 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.008 -17.705 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.254 -16.564 1.555 1.00 0.00 H new ATOM 455 N GLN A 29 -17.108 -19.207 1.992 1.00 0.00 N ATOM 456 CA GLN A 29 -18.023 -20.331 1.875 1.00 0.00 C ATOM 457 C GLN A 29 -19.315 -19.893 1.204 1.00 0.00 C ATOM 458 O GLN A 29 -19.920 -20.656 0.452 1.00 0.00 O ATOM 459 CB GLN A 29 -18.338 -20.918 3.252 1.00 0.00 C ATOM 460 CG GLN A 29 -19.210 -22.169 3.087 1.00 0.00 C ATOM 461 CD GLN A 29 -19.462 -22.812 4.447 1.00 0.00 C ATOM 462 OE1 GLN A 29 -18.786 -22.486 5.422 1.00 0.00 O ATOM 463 NE2 GLN A 29 -20.395 -23.716 4.571 1.00 0.00 N ATOM 0 H GLN A 29 -16.874 -18.953 2.952 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.541 -21.096 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.414 -21.172 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.855 -20.179 3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.158 -21.902 2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.718 -22.881 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.955 -23.985 3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.564 -24.153 5.477 1.00 0.00 H new ATOM 472 N ASP A 30 -19.762 -18.682 1.514 1.00 0.00 N ATOM 473 CA ASP A 30 -21.023 -18.202 0.966 1.00 0.00 C ATOM 474 C ASP A 30 -21.066 -18.332 -0.553 1.00 0.00 C ATOM 475 O ASP A 30 -21.994 -18.942 -1.077 1.00 0.00 O ATOM 476 CB ASP A 30 -21.184 -16.720 1.316 1.00 0.00 C ATOM 477 CG ASP A 30 -19.984 -15.921 0.798 1.00 0.00 C ATOM 478 OD1 ASP A 30 -18.954 -16.523 0.543 1.00 0.00 O1- ATOM 479 OD2 ASP A 30 -20.104 -14.711 0.701 1.00 0.00 O ATOM 0 H ASP A 30 -19.281 -18.026 2.130 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.823 -18.806 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.104 -16.333 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.271 -16.601 2.396 1.00 0.00 H new ATOM 484 N SER A 31 -20.045 -17.802 -1.231 1.00 0.00 N ATOM 485 CA SER A 31 -19.954 -17.879 -2.698 1.00 0.00 C ATOM 486 C SER A 31 -19.242 -16.656 -3.272 1.00 0.00 C ATOM 487 O SER A 31 -19.827 -15.890 -4.038 1.00 0.00 O ATOM 488 CB SER A 31 -21.349 -17.986 -3.339 1.00 0.00 C ATOM 489 OG SER A 31 -21.757 -19.346 -3.353 1.00 0.00 O ATOM 0 H SER A 31 -19.266 -17.313 -0.790 1.00 0.00 H new ATOM 0 HA SER A 31 -19.380 -18.775 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.066 -17.385 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.326 -17.591 -4.355 1.00 0.00 H new ATOM 0 HG SER A 31 -21.969 -19.633 -2.440 1.00 0.00 H new ATOM 495 N SER A 32 -17.982 -16.471 -2.898 1.00 0.00 N ATOM 496 CA SER A 32 -17.213 -15.332 -3.390 1.00 0.00 C ATOM 497 C SER A 32 -16.112 -15.803 -4.331 1.00 0.00 C ATOM 498 O SER A 32 -15.435 -16.794 -4.062 1.00 0.00 O ATOM 499 CB SER A 32 -16.590 -14.580 -2.214 1.00 0.00 C ATOM 500 OG SER A 32 -17.624 -14.056 -1.389 1.00 0.00 O ATOM 0 H SER A 32 -17.474 -17.087 -2.263 1.00 0.00 H new ATOM 0 HA SER A 32 -17.884 -14.667 -3.933 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.952 -15.249 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.956 -13.772 -2.579 1.00 0.00 H new ATOM 0 HG SER A 32 -17.227 -13.575 -0.633 1.00 0.00 H new ATOM 506 N GLU A 33 -15.930 -15.084 -5.434 1.00 0.00 N ATOM 507 CA GLU A 33 -14.894 -15.437 -6.395 1.00 0.00 C ATOM 508 C GLU A 33 -14.248 -14.171 -6.935 1.00 0.00 C ATOM 509 O GLU A 33 -14.832 -13.487 -7.772 1.00 0.00 O ATOM 510 CB GLU A 33 -15.514 -16.232 -7.549 1.00 0.00 C ATOM 511 CG GLU A 33 -14.417 -16.662 -8.523 1.00 0.00 C ATOM 512 CD GLU A 33 -15.017 -17.507 -9.643 1.00 0.00 C ATOM 513 OE1 GLU A 33 -16.168 -17.891 -9.516 1.00 0.00 O1- ATOM 514 OE2 GLU A 33 -14.317 -17.756 -10.608 1.00 0.00 O ATOM 0 H GLU A 33 -16.481 -14.262 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.136 -16.047 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.035 -17.108 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.255 -15.623 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.926 -15.784 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.653 -17.233 -7.995 1.00 0.00 H new ATOM 521 N ILE A 34 -13.037 -13.876 -6.468 1.00 0.00 N ATOM 522 CA ILE A 34 -12.325 -12.682 -6.918 1.00 0.00 C ATOM 523 C ILE A 34 -10.965 -13.062 -7.481 1.00 0.00 C ATOM 524 O ILE A 34 -10.205 -13.767 -6.830 1.00 0.00 O ATOM 525 CB ILE A 34 -12.140 -11.725 -5.743 1.00 0.00 C ATOM 526 CG1 ILE A 34 -13.512 -11.401 -5.140 1.00 0.00 C ATOM 527 CG2 ILE A 34 -11.467 -10.433 -6.218 1.00 0.00 C ATOM 528 CD1 ILE A 34 -14.444 -10.747 -6.178 1.00 0.00 C ATOM 0 H ILE A 34 -12.532 -14.441 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.909 -12.196 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.507 -12.194 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.970 -12.315 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.388 -10.732 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.340 -9.757 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.492 -10.667 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.090 -9.955 -6.974 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.408 -10.531 -5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.997 -9.820 -6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.588 -11.427 -7.017 1.00 0.00 H new ATOM 540 N HIS A 35 -10.660 -12.595 -8.687 1.00 0.00 N ATOM 541 CA HIS A 35 -9.372 -12.903 -9.302 1.00 0.00 C ATOM 542 C HIS A 35 -8.659 -11.636 -9.763 1.00 0.00 C ATOM 543 O HIS A 35 -9.024 -11.051 -10.783 1.00 0.00 O ATOM 544 CB HIS A 35 -9.597 -13.816 -10.502 1.00 0.00 C ATOM 545 CG HIS A 35 -10.241 -15.094 -10.044 1.00 0.00 C ATOM 546 ND1 HIS A 35 -9.544 -16.056 -9.330 1.00 0.00 N ATOM 547 CD2 HIS A 35 -11.517 -15.584 -10.184 1.00 0.00 C ATOM 548 CE1 HIS A 35 -10.394 -17.066 -9.073 1.00 0.00 C ATOM 549 NE2 HIS A 35 -11.609 -16.830 -9.570 1.00 0.00 N ATOM 0 H HIS A 35 -11.276 -12.010 -9.252 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.746 -13.396 -8.558 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.231 -13.320 -11.237 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.648 -14.030 -10.993 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.325 -15.080 -10.693 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.125 -17.960 -8.530 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.430 -17.433 -9.513 1.00 0.00 H new ATOM 557 N PHE A 36 -7.637 -11.212 -9.023 1.00 0.00 N ATOM 558 CA PHE A 36 -6.892 -10.021 -9.397 1.00 0.00 C ATOM 559 C PHE A 36 -5.504 -10.080 -8.779 1.00 0.00 C ATOM 560 O PHE A 36 -5.268 -10.836 -7.836 1.00 0.00 O ATOM 561 CB PHE A 36 -7.640 -8.772 -8.919 1.00 0.00 C ATOM 562 CG PHE A 36 -7.564 -8.654 -7.418 1.00 0.00 C ATOM 563 CD1 PHE A 36 -8.166 -9.622 -6.607 1.00 0.00 C ATOM 564 CD2 PHE A 36 -6.865 -7.591 -6.836 1.00 0.00 C ATOM 565 CE1 PHE A 36 -8.084 -9.517 -5.213 1.00 0.00 C ATOM 566 CE2 PHE A 36 -6.788 -7.481 -5.447 1.00 0.00 C ATOM 567 CZ PHE A 36 -7.392 -8.452 -4.634 1.00 0.00 C ATOM 0 H PHE A 36 -7.312 -11.671 -8.172 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.794 -9.973 -10.482 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.210 -7.884 -9.382 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.682 -8.822 -9.234 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.694 -10.450 -7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.384 -6.854 -7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.556 -10.259 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.264 -6.650 -4.999 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.321 -8.375 -3.559 1.00 0.00 H new ATOM 577 N LYS A 37 -4.595 -9.272 -9.305 1.00 0.00 N ATOM 578 CA LYS A 37 -3.228 -9.228 -8.794 1.00 0.00 C ATOM 579 C LYS A 37 -2.908 -7.928 -8.054 1.00 0.00 C ATOM 580 O LYS A 37 -3.329 -6.845 -8.460 1.00 0.00 O ATOM 581 CB LYS A 37 -2.234 -9.379 -9.943 1.00 0.00 C ATOM 582 CG LYS A 37 -2.370 -10.746 -10.621 1.00 0.00 C ATOM 583 CD LYS A 37 -1.400 -10.806 -11.798 1.00 0.00 C ATOM 584 CE LYS A 37 -1.595 -12.111 -12.543 1.00 0.00 C ATOM 585 NZ LYS A 37 -1.309 -13.249 -11.626 1.00 0.00 N1+ ATOM 0 H LYS A 37 -4.776 -8.638 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.141 -10.052 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.399 -8.589 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.218 -9.257 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.152 -11.544 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.393 -10.897 -10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.570 -9.963 -12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.373 -10.728 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.616 -12.179 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.934 -12.151 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.704 -13.942 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.821 -12.897 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.202 -13.704 -11.348 1.00 0.00 H new ATOM 599 N VAL A 38 -2.172 -8.062 -6.945 1.00 0.00 N ATOM 600 CA VAL A 38 -1.803 -6.910 -6.124 1.00 0.00 C ATOM 601 C VAL A 38 -0.299 -6.900 -5.889 1.00 0.00 C ATOM 602 O VAL A 38 0.330 -7.946 -5.759 1.00 0.00 O ATOM 603 CB VAL A 38 -2.511 -6.966 -4.761 1.00 0.00 C ATOM 604 CG1 VAL A 38 -1.872 -8.051 -3.890 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.386 -5.606 -4.072 1.00 0.00 C ATOM 0 H VAL A 38 -1.822 -8.955 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.107 -6.007 -6.654 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.565 -7.204 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.377 -8.087 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.966 -9.017 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.817 -7.822 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.887 -5.641 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.332 -5.367 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.850 -4.840 -4.693 1.00 0.00 H new ATOM 615 N LYS A 39 0.267 -5.705 -5.843 1.00 0.00 N ATOM 616 CA LYS A 39 1.701 -5.540 -5.628 1.00 0.00 C ATOM 617 C LYS A 39 2.114 -6.040 -4.256 1.00 0.00 C ATOM 618 O LYS A 39 1.401 -5.844 -3.271 1.00 0.00 O ATOM 619 CB LYS A 39 2.061 -4.068 -5.787 1.00 0.00 C ATOM 620 CG LYS A 39 1.451 -3.270 -4.638 1.00 0.00 C ATOM 621 CD LYS A 39 1.734 -1.791 -4.851 1.00 0.00 C ATOM 622 CE LYS A 39 1.115 -0.988 -3.710 1.00 0.00 C ATOM 623 NZ LYS A 39 1.402 0.447 -3.928 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.245 -4.829 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 39 2.239 -6.133 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.144 -3.946 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.691 -3.693 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.376 -3.444 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.870 -3.600 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.809 -1.617 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.322 -1.464 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.039 -1.156 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.524 -1.314 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.985 1.006 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.431 0.596 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.992 0.749 -4.835 1.00 0.00 H new ATOM 637 N MET A 40 3.273 -6.693 -4.205 1.00 0.00 N ATOM 638 CA MET A 40 3.779 -7.223 -2.948 1.00 0.00 C ATOM 639 C MET A 40 4.901 -6.334 -2.410 1.00 0.00 C ATOM 640 O MET A 40 6.085 -6.612 -2.609 1.00 0.00 O ATOM 641 CB MET A 40 4.287 -8.665 -3.145 1.00 0.00 C ATOM 642 CG MET A 40 4.739 -9.240 -1.803 1.00 0.00 C ATOM 643 SD MET A 40 5.271 -10.953 -2.034 1.00 0.00 S ATOM 644 CE MET A 40 6.735 -10.595 -3.032 1.00 0.00 C ATOM 0 H MET A 40 3.872 -6.865 -5.013 1.00 0.00 H new ATOM 0 HA MET A 40 2.967 -7.235 -2.221 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.497 -9.284 -3.569 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.115 -8.675 -3.854 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.557 -8.645 -1.397 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.923 -9.195 -1.082 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.482 -11.373 -2.874 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.459 -10.566 -4.086 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.148 -9.630 -2.739 1.00 0.00 H new ATOM 654 N THR A 41 4.516 -5.260 -1.731 1.00 0.00 N ATOM 655 CA THR A 41 5.496 -4.333 -1.162 1.00 0.00 C ATOM 656 C THR A 41 4.948 -3.666 0.093 1.00 0.00 C ATOM 657 O THR A 41 5.608 -2.836 0.716 1.00 0.00 O ATOM 658 CB THR A 41 5.869 -3.277 -2.199 1.00 0.00 C ATOM 659 OG1 THR A 41 4.707 -2.547 -2.564 1.00 0.00 O ATOM 660 CG2 THR A 41 6.452 -3.961 -3.435 1.00 0.00 C ATOM 0 H THR A 41 3.543 -5.008 -1.560 1.00 0.00 H new ATOM 0 HA THR A 41 6.387 -4.897 -0.885 1.00 0.00 H new ATOM 0 HB THR A 41 6.610 -2.597 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.943 -1.867 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.719 -3.207 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.342 -4.524 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.712 -4.640 -3.858 1.00 0.00 H new ATOM 668 N THR A 42 3.740 -4.062 0.462 1.00 0.00 N ATOM 669 CA THR A 42 3.121 -3.519 1.663 1.00 0.00 C ATOM 670 C THR A 42 2.297 -4.569 2.412 1.00 0.00 C ATOM 671 O THR A 42 1.799 -5.516 1.806 1.00 0.00 O ATOM 672 CB THR A 42 2.215 -2.357 1.278 1.00 0.00 C ATOM 673 OG1 THR A 42 1.146 -2.847 0.483 1.00 0.00 O ATOM 674 CG2 THR A 42 3.015 -1.335 0.468 1.00 0.00 C ATOM 0 H THR A 42 3.176 -4.746 -0.042 1.00 0.00 H new ATOM 0 HA THR A 42 3.919 -3.185 2.326 1.00 0.00 H new ATOM 0 HB THR A 42 1.823 -1.884 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.650 -2.093 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.368 -0.503 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.846 -0.965 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.402 -1.808 -0.434 1.00 0.00 H new ATOM 682 N HIS A 43 2.185 -4.392 3.732 1.00 0.00 N ATOM 683 CA HIS A 43 1.435 -5.331 4.567 1.00 0.00 C ATOM 684 C HIS A 43 0.213 -5.820 3.802 1.00 0.00 C ATOM 685 O HIS A 43 -0.453 -5.049 3.113 1.00 0.00 O ATOM 686 CB HIS A 43 0.979 -4.638 5.856 1.00 0.00 C ATOM 687 CG HIS A 43 1.977 -3.577 6.234 1.00 0.00 C ATOM 688 ND1 HIS A 43 1.985 -2.333 5.625 1.00 0.00 N ATOM 689 CD2 HIS A 43 2.998 -3.553 7.150 1.00 0.00 C ATOM 690 CE1 HIS A 43 2.983 -1.618 6.174 1.00 0.00 C ATOM 691 NE2 HIS A 43 3.634 -2.313 7.111 1.00 0.00 N ATOM 0 H HIS A 43 2.601 -3.612 4.241 1.00 0.00 H new ATOM 0 HA HIS A 43 2.077 -6.175 4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.005 -4.192 5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.885 -5.368 6.660 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.268 -4.370 7.802 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.228 -0.605 5.892 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.425 -2.003 7.676 1.00 0.00 H new ATOM 699 N LEU A 44 -0.057 -7.113 3.907 1.00 0.00 N ATOM 700 CA LEU A 44 -1.187 -7.712 3.201 1.00 0.00 C ATOM 701 C LEU A 44 -2.461 -6.909 3.458 1.00 0.00 C ATOM 702 O LEU A 44 -3.503 -7.157 2.853 1.00 0.00 O ATOM 703 CB LEU A 44 -1.375 -9.164 3.666 1.00 0.00 C ATOM 704 CG LEU A 44 -2.521 -9.843 2.888 1.00 0.00 C ATOM 705 CD1 LEU A 44 -2.280 -11.349 2.831 1.00 0.00 C ATOM 706 CD2 LEU A 44 -3.860 -9.571 3.576 1.00 0.00 C ATOM 0 H LEU A 44 0.486 -7.767 4.471 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.982 -7.701 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.449 -9.721 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.592 -9.184 4.734 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.549 -9.436 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.091 -11.827 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.334 -11.547 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.243 -11.750 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.661 -10.055 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.835 -9.967 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.040 -8.496 3.610 1.00 0.00 H new ATOM 718 N LYS A 45 -2.368 -5.974 4.396 1.00 0.00 N ATOM 719 CA LYS A 45 -3.509 -5.163 4.776 1.00 0.00 C ATOM 720 C LYS A 45 -4.000 -4.344 3.600 1.00 0.00 C ATOM 721 O LYS A 45 -5.199 -4.214 3.373 1.00 0.00 O ATOM 722 CB LYS A 45 -3.131 -4.230 5.922 1.00 0.00 C ATOM 723 CG LYS A 45 -4.384 -3.485 6.400 1.00 0.00 C ATOM 724 CD LYS A 45 -4.034 -2.595 7.590 1.00 0.00 C ATOM 725 CE LYS A 45 -5.292 -1.871 8.084 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.946 -1.017 9.254 1.00 0.00 N1+ ATOM 0 H LYS A 45 -1.511 -5.761 4.906 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.308 -5.830 5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.697 -4.800 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.374 -3.519 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.790 -2.880 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.157 -4.199 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.610 -3.197 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.275 -1.868 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.710 -1.259 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.056 -2.596 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.799 -0.526 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.566 -1.612 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.231 -0.316 8.973 1.00 0.00 H new ATOM 740 N LYS A 46 -3.065 -3.797 2.854 1.00 0.00 N ATOM 741 CA LYS A 46 -3.399 -2.980 1.704 1.00 0.00 C ATOM 742 C LYS A 46 -4.067 -3.807 0.643 1.00 0.00 C ATOM 743 O LYS A 46 -4.268 -3.335 -0.474 1.00 0.00 O ATOM 744 CB LYS A 46 -2.139 -2.339 1.133 1.00 0.00 C ATOM 745 CG LYS A 46 -1.467 -1.481 2.212 1.00 0.00 C ATOM 746 CD LYS A 46 -2.158 -0.116 2.376 1.00 0.00 C ATOM 747 CE LYS A 46 -1.680 0.845 1.279 1.00 0.00 C ATOM 748 NZ LYS A 46 -2.316 2.171 1.483 1.00 0.00 N1+ ATOM 0 H LYS A 46 -2.065 -3.903 3.022 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.088 -2.199 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.451 -3.110 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.391 -1.724 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.486 -2.014 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.419 -1.328 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.240 -0.237 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.934 0.299 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.595 0.940 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.938 0.451 0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.996 2.827 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.350 2.071 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.048 2.545 2.416 1.00 0.00 H new ATOM 762 N LEU A 47 -4.444 -5.028 0.999 1.00 0.00 N ATOM 763 CA LEU A 47 -5.134 -5.882 0.064 1.00 0.00 C ATOM 764 C LEU A 47 -6.522 -6.219 0.576 1.00 0.00 C ATOM 765 O LEU A 47 -7.522 -5.895 -0.065 1.00 0.00 O ATOM 766 CB LEU A 47 -4.329 -7.171 -0.181 1.00 0.00 C ATOM 767 CG LEU A 47 -4.925 -8.002 -1.323 1.00 0.00 C ATOM 768 CD1 LEU A 47 -6.246 -8.661 -0.900 1.00 0.00 C ATOM 769 CD2 LEU A 47 -5.166 -7.148 -2.556 1.00 0.00 C ATOM 0 H LEU A 47 -4.283 -5.438 1.919 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.233 -5.348 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.296 -6.916 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.310 -7.767 0.731 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.200 -8.779 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.644 -9.243 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.069 -9.318 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.964 -7.890 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.589 -7.765 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.861 -6.344 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.221 -6.721 -2.893 1.00 0.00 H new ATOM 781 N LYS A 48 -6.588 -6.873 1.729 1.00 0.00 N ATOM 782 CA LYS A 48 -7.866 -7.246 2.305 1.00 0.00 C ATOM 783 C LYS A 48 -8.633 -6.025 2.787 1.00 0.00 C ATOM 784 O LYS A 48 -9.850 -6.063 2.928 1.00 0.00 O ATOM 785 CB LYS A 48 -7.643 -8.217 3.462 1.00 0.00 C ATOM 786 CG LYS A 48 -6.746 -7.563 4.534 1.00 0.00 C ATOM 787 CD LYS A 48 -7.597 -6.966 5.667 1.00 0.00 C ATOM 788 CE LYS A 48 -6.719 -6.709 6.895 1.00 0.00 C ATOM 789 NZ LYS A 48 -7.086 -5.400 7.495 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.775 -7.153 2.278 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.462 -7.730 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.600 -8.500 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.178 -9.132 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.059 -8.304 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.138 -6.781 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.057 -6.035 5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.407 -7.648 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.852 -7.507 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.667 -6.710 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.360 -5.118 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.151 -4.681 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.005 -5.484 7.975 1.00 0.00 H new ATOM 803 N GLU A 49 -7.913 -4.948 3.042 1.00 0.00 N ATOM 804 CA GLU A 49 -8.543 -3.724 3.515 1.00 0.00 C ATOM 805 C GLU A 49 -9.516 -3.188 2.466 1.00 0.00 C ATOM 806 O GLU A 49 -10.625 -2.768 2.790 1.00 0.00 O ATOM 807 CB GLU A 49 -7.466 -2.668 3.802 1.00 0.00 C ATOM 808 CG GLU A 49 -8.112 -1.399 4.359 1.00 0.00 C ATOM 809 CD GLU A 49 -7.038 -0.349 4.646 1.00 0.00 C ATOM 810 OE1 GLU A 49 -5.902 -0.569 4.260 1.00 0.00 O1- ATOM 811 OE2 GLU A 49 -7.372 0.660 5.245 1.00 0.00 O ATOM 0 H GLU A 49 -6.900 -4.893 2.932 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.095 -3.943 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.742 -3.060 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.920 -2.436 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.835 -1.006 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.660 -1.630 5.273 1.00 0.00 H new ATOM 818 N SER A 50 -9.112 -3.244 1.206 1.00 0.00 N ATOM 819 CA SER A 50 -9.983 -2.790 0.126 1.00 0.00 C ATOM 820 C SER A 50 -11.169 -3.725 -0.039 1.00 0.00 C ATOM 821 O SER A 50 -12.318 -3.289 -0.137 1.00 0.00 O ATOM 822 CB SER A 50 -9.183 -2.703 -1.179 1.00 0.00 C ATOM 823 OG SER A 50 -8.179 -1.704 -1.036 1.00 0.00 O ATOM 0 H SER A 50 -8.202 -3.593 0.906 1.00 0.00 H new ATOM 0 HA SER A 50 -10.367 -1.801 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.727 -3.666 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.843 -2.458 -2.011 1.00 0.00 H new ATOM 0 HG SER A 50 -7.660 -1.641 -1.865 1.00 0.00 H new ATOM 829 N TYR A 51 -10.877 -5.018 -0.039 1.00 0.00 N ATOM 830 CA TYR A 51 -11.912 -6.026 -0.157 1.00 0.00 C ATOM 831 C TYR A 51 -12.851 -5.968 1.039 1.00 0.00 C ATOM 832 O TYR A 51 -14.070 -6.037 0.906 1.00 0.00 O ATOM 833 CB TYR A 51 -11.305 -7.426 -0.310 1.00 0.00 C ATOM 834 CG TYR A 51 -12.408 -8.459 -0.374 1.00 0.00 C ATOM 835 CD1 TYR A 51 -13.091 -8.691 -1.577 1.00 0.00 C ATOM 836 CD2 TYR A 51 -12.727 -9.201 0.762 1.00 0.00 C ATOM 837 CE1 TYR A 51 -14.098 -9.663 -1.630 1.00 0.00 C ATOM 838 CE2 TYR A 51 -13.732 -10.171 0.710 1.00 0.00 C ATOM 839 CZ TYR A 51 -14.418 -10.405 -0.488 1.00 0.00 C ATOM 840 OH TYR A 51 -15.420 -11.354 -0.542 1.00 0.00 O ATOM 0 H TYR A 51 -9.931 -5.390 0.042 1.00 0.00 H new ATOM 0 HA TYR A 51 -12.490 -5.816 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.698 -7.472 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.643 -7.639 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.841 -8.122 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.196 -9.026 1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -14.628 -9.840 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.979 -10.740 1.594 1.00 0.00 H new ATOM 0 HH TYR A 51 -16.282 -10.931 -0.346 1.00 0.00 H new ATOM 850 N CYS A 52 -12.252 -5.910 2.220 1.00 0.00 N ATOM 851 CA CYS A 52 -13.024 -5.900 3.455 1.00 0.00 C ATOM 852 C CYS A 52 -13.891 -4.652 3.586 1.00 0.00 C ATOM 853 O CYS A 52 -15.065 -4.729 3.941 1.00 0.00 O ATOM 854 CB CYS A 52 -12.074 -5.929 4.652 1.00 0.00 C ATOM 855 SG CYS A 52 -11.215 -7.517 4.707 1.00 0.00 S ATOM 0 H CYS A 52 -11.241 -5.869 2.349 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.670 -6.778 3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.352 -5.116 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.632 -5.774 5.575 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.390 -7.599 3.706 1.00 0.00 H new ATOM 861 N GLN A 53 -13.309 -3.500 3.310 1.00 0.00 N ATOM 862 CA GLN A 53 -14.047 -2.249 3.415 1.00 0.00 C ATOM 863 C GLN A 53 -15.146 -2.148 2.369 1.00 0.00 C ATOM 864 O GLN A 53 -16.232 -1.637 2.641 1.00 0.00 O ATOM 865 CB GLN A 53 -13.095 -1.069 3.263 1.00 0.00 C ATOM 866 CG GLN A 53 -12.179 -0.979 4.489 1.00 0.00 C ATOM 867 CD GLN A 53 -11.108 0.084 4.255 1.00 0.00 C ATOM 868 OE1 GLN A 53 -10.689 0.300 3.119 1.00 0.00 O ATOM 869 NE2 GLN A 53 -10.635 0.760 5.267 1.00 0.00 N ATOM 0 H GLN A 53 -12.338 -3.401 3.014 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.515 -2.228 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.497 -1.186 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.662 -0.145 3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.764 -0.731 5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.711 -1.945 4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.984 0.580 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.917 1.469 5.116 1.00 0.00 H new ATOM 878 N ARG A 54 -14.843 -2.595 1.158 1.00 0.00 N ATOM 879 CA ARG A 54 -15.803 -2.497 0.073 1.00 0.00 C ATOM 880 C ARG A 54 -16.895 -3.559 0.251 1.00 0.00 C ATOM 881 O ARG A 54 -17.890 -3.567 -0.475 1.00 0.00 O ATOM 882 CB ARG A 54 -15.099 -2.664 -1.286 1.00 0.00 C ATOM 883 CG ARG A 54 -14.952 -4.136 -1.649 1.00 0.00 C ATOM 884 CD ARG A 54 -14.063 -4.301 -2.877 1.00 0.00 C ATOM 885 NE ARG A 54 -14.174 -5.680 -3.361 1.00 0.00 N ATOM 886 CZ ARG A 54 -15.125 -6.021 -4.233 1.00 0.00 C ATOM 887 NH1 ARG A 54 -16.009 -5.144 -4.634 1.00 0.00 N ATOM 888 NH2 ARG A 54 -15.200 -7.243 -4.673 1.00 0.00 N ATOM 0 H ARG A 54 -13.952 -3.023 0.906 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.265 -1.510 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.669 -2.150 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.116 -2.195 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.525 -4.682 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.934 -4.568 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.364 -3.602 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.027 -4.072 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.518 -6.386 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.976 -4.188 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.731 -5.416 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.531 -7.943 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.928 -7.501 -5.339 1.00 0.00 H new ATOM 902 N GLN A 55 -16.702 -4.451 1.233 1.00 0.00 N ATOM 903 CA GLN A 55 -17.692 -5.502 1.510 1.00 0.00 C ATOM 904 C GLN A 55 -18.035 -5.543 2.992 1.00 0.00 C ATOM 905 O GLN A 55 -19.136 -5.169 3.394 1.00 0.00 O ATOM 906 CB GLN A 55 -17.197 -6.893 1.066 1.00 0.00 C ATOM 907 CG GLN A 55 -17.112 -6.945 -0.453 1.00 0.00 C ATOM 908 CD GLN A 55 -16.784 -8.357 -0.912 1.00 0.00 C ATOM 909 OE1 GLN A 55 -16.708 -9.269 -0.095 1.00 0.00 O ATOM 910 NE2 GLN A 55 -16.604 -8.586 -2.184 1.00 0.00 N ATOM 0 H GLN A 55 -15.883 -4.467 1.840 1.00 0.00 H new ATOM 0 HA GLN A 55 -18.583 -5.254 0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -16.219 -7.098 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -17.876 -7.665 1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.058 -6.624 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.347 -6.253 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.670 -7.820 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.398 -9.531 -2.508 1.00 0.00 H new ATOM 919 N GLY A 56 -17.084 -5.994 3.797 1.00 0.00 N ATOM 920 CA GLY A 56 -17.298 -6.073 5.240 1.00 0.00 C ATOM 921 C GLY A 56 -15.978 -6.152 5.988 1.00 0.00 C ATOM 922 O GLY A 56 -14.949 -6.499 5.414 1.00 0.00 O ATOM 0 H GLY A 56 -16.166 -6.308 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.857 -5.200 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.904 -6.949 5.473 1.00 0.00 H new ATOM 926 N VAL A 57 -16.005 -5.830 7.274 1.00 0.00 N ATOM 927 CA VAL A 57 -14.779 -5.880 8.050 1.00 0.00 C ATOM 928 C VAL A 57 -14.644 -7.240 8.731 1.00 0.00 C ATOM 929 O VAL A 57 -15.624 -7.739 9.256 1.00 0.00 O ATOM 930 CB VAL A 57 -14.796 -4.773 9.110 1.00 0.00 C ATOM 931 CG1 VAL A 57 -15.837 -5.090 10.162 1.00 0.00 C ATOM 932 CG2 VAL A 57 -13.432 -4.640 9.786 1.00 0.00 C ATOM 0 H VAL A 57 -16.837 -5.540 7.788 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.930 -5.732 7.383 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.036 -3.833 8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -15.846 -4.301 10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -16.819 -5.157 9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.596 -6.041 10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.472 -3.848 10.533 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.172 -5.582 10.269 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.678 -4.395 9.038 1.00 0.00 H new ATOM 942 N PRO A 58 -13.466 -7.830 8.761 1.00 0.00 N ATOM 943 CA PRO A 58 -13.223 -9.145 9.438 1.00 0.00 C ATOM 944 C PRO A 58 -13.395 -9.081 10.929 1.00 0.00 C ATOM 945 O PRO A 58 -13.521 -10.105 11.597 1.00 0.00 O ATOM 946 CB PRO A 58 -11.792 -9.499 9.058 1.00 0.00 C ATOM 947 CG PRO A 58 -11.146 -8.210 8.720 1.00 0.00 C ATOM 948 CD PRO A 58 -12.230 -7.349 8.118 1.00 0.00 C ATOM 0 HA PRO A 58 -13.947 -9.895 9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.277 -9.993 9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.768 -10.185 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.723 -7.741 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.327 -8.356 8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.059 -6.292 8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.274 -7.462 7.035 1.00 0.00 H new ATOM 956 N MET A 59 -13.375 -7.881 11.446 1.00 0.00 N ATOM 957 CA MET A 59 -13.513 -7.702 12.877 1.00 0.00 C ATOM 958 C MET A 59 -14.920 -8.063 13.355 1.00 0.00 C ATOM 959 O MET A 59 -15.614 -7.233 13.942 1.00 0.00 O ATOM 960 CB MET A 59 -13.236 -6.260 13.245 1.00 0.00 C ATOM 961 CG MET A 59 -11.776 -5.926 12.918 1.00 0.00 C ATOM 962 SD MET A 59 -11.402 -4.232 13.449 1.00 0.00 S ATOM 963 CE MET A 59 -9.748 -4.122 12.719 1.00 0.00 C ATOM 0 H MET A 59 -13.266 -7.020 10.911 1.00 0.00 H new ATOM 0 HA MET A 59 -12.795 -8.365 13.360 1.00 0.00 H new ATOM 0 HB2 MET A 59 -13.905 -5.597 12.695 1.00 0.00 H new ATOM 0 HB3 MET A 59 -13.429 -6.100 14.306 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.111 -6.630 13.419 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.600 -6.029 11.847 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.322 -3.141 12.929 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.109 -4.894 13.148 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.816 -4.265 11.641 1.00 0.00 H new ATOM 973 N ASN A 60 -15.325 -9.309 13.117 1.00 0.00 N ATOM 974 CA ASN A 60 -16.642 -9.769 13.546 1.00 0.00 C ATOM 975 C ASN A 60 -16.871 -11.207 13.081 1.00 0.00 C ATOM 976 O ASN A 60 -16.624 -12.160 13.822 1.00 0.00 O ATOM 977 CB ASN A 60 -17.740 -8.876 12.960 1.00 0.00 C ATOM 978 CG ASN A 60 -17.423 -8.547 11.507 1.00 0.00 C ATOM 979 OD1 ASN A 60 -16.424 -9.140 10.920 1.00 0.00 O ATOM 980 ND2 ASN A 60 -18.101 -7.724 10.891 1.00 0.00 N ATOM 0 H ASN A 60 -14.765 -10.012 12.634 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.682 -9.722 14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.704 -9.380 13.025 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.821 -7.957 13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -17.880 -7.506 9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.884 -7.260 11.352 1.00 0.00 H new ATOM 987 N SER A 61 -17.348 -11.349 11.845 1.00 0.00 N ATOM 988 CA SER A 61 -17.618 -12.673 11.273 1.00 0.00 C ATOM 989 C SER A 61 -16.538 -13.087 10.281 1.00 0.00 C ATOM 990 O SER A 61 -15.970 -14.174 10.382 1.00 0.00 O ATOM 991 CB SER A 61 -18.970 -12.678 10.566 1.00 0.00 C ATOM 992 OG SER A 61 -19.968 -12.199 11.461 1.00 0.00 O ATOM 0 H SER A 61 -17.556 -10.569 11.221 1.00 0.00 H new ATOM 0 HA SER A 61 -17.626 -13.386 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.931 -12.050 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.216 -13.686 10.234 1.00 0.00 H new ATOM 0 HG SER A 61 -20.493 -11.498 11.021 1.00 0.00 H new ATOM 998 N LEU A 62 -16.269 -12.220 9.312 1.00 0.00 N ATOM 999 CA LEU A 62 -15.269 -12.506 8.292 1.00 0.00 C ATOM 1000 C LEU A 62 -13.892 -12.692 8.920 1.00 0.00 C ATOM 1001 O LEU A 62 -13.515 -12.000 9.867 1.00 0.00 O ATOM 1002 CB LEU A 62 -15.247 -11.352 7.283 1.00 0.00 C ATOM 1003 CG LEU A 62 -16.329 -11.535 6.225 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -16.847 -10.161 5.805 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -15.731 -12.228 4.994 1.00 0.00 C ATOM 0 H LEU A 62 -16.729 -11.315 9.212 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.528 -13.434 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.397 -10.406 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -14.269 -11.301 6.804 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.139 -12.140 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.622 -10.280 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.263 -9.648 6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.026 -9.573 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.505 -12.359 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -14.926 -11.616 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.336 -13.203 5.281 1.00 0.00 H new ATOM 1017 N ARG A 63 -13.171 -13.665 8.392 1.00 0.00 N ATOM 1018 CA ARG A 63 -11.840 -14.007 8.882 1.00 0.00 C ATOM 1019 C ARG A 63 -10.874 -14.268 7.739 1.00 0.00 C ATOM 1020 O ARG A 63 -11.251 -14.818 6.719 1.00 0.00 O ATOM 1021 CB ARG A 63 -11.908 -15.233 9.801 1.00 0.00 C ATOM 1022 CG ARG A 63 -10.482 -15.712 10.136 1.00 0.00 C ATOM 1023 CD ARG A 63 -10.539 -16.809 11.191 1.00 0.00 C ATOM 1024 NE ARG A 63 -10.925 -16.252 12.483 1.00 0.00 N ATOM 1025 CZ ARG A 63 -11.193 -17.041 13.517 1.00 0.00 C ATOM 1026 NH1 ARG A 63 -11.127 -18.336 13.385 1.00 0.00 N ATOM 1027 NH2 ARG A 63 -11.516 -16.517 14.669 1.00 0.00 N ATOM 0 H ARG A 63 -13.488 -14.242 7.613 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.468 -13.153 9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.443 -14.983 10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.466 -16.033 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.994 -16.086 9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.884 -14.876 10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.253 -17.575 10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.567 -17.295 11.273 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.990 -15.240 12.594 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.869 -18.745 12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.333 -18.941 14.180 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.562 -15.503 14.773 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.722 -17.121 15.464 1.00 0.00 H new ATOM 1041 N PHE A 64 -9.622 -13.874 7.934 1.00 0.00 N ATOM 1042 CA PHE A 64 -8.589 -14.099 6.927 1.00 0.00 C ATOM 1043 C PHE A 64 -7.560 -15.105 7.424 1.00 0.00 C ATOM 1044 O PHE A 64 -6.813 -14.812 8.356 1.00 0.00 O ATOM 1045 CB PHE A 64 -7.897 -12.773 6.588 1.00 0.00 C ATOM 1046 CG PHE A 64 -8.812 -11.945 5.732 1.00 0.00 C ATOM 1047 CD1 PHE A 64 -9.837 -11.206 6.314 1.00 0.00 C ATOM 1048 CD2 PHE A 64 -8.643 -11.944 4.345 1.00 0.00 C ATOM 1049 CE1 PHE A 64 -10.696 -10.453 5.506 1.00 0.00 C ATOM 1050 CE2 PHE A 64 -9.498 -11.196 3.540 1.00 0.00 C ATOM 1051 CZ PHE A 64 -10.525 -10.452 4.121 1.00 0.00 C ATOM 0 H PHE A 64 -9.297 -13.399 8.776 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.062 -14.502 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.648 -12.234 7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.960 -12.961 6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.969 -11.214 7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.849 -12.523 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.490 -9.874 5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.366 -11.192 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.190 -9.873 3.497 1.00 0.00 H new ATOM 1061 N LEU A 65 -7.509 -16.292 6.808 1.00 0.00 N ATOM 1062 CA LEU A 65 -6.548 -17.292 7.232 1.00 0.00 C ATOM 1063 C LEU A 65 -5.464 -17.391 6.162 1.00 0.00 C ATOM 1064 O LEU A 65 -5.715 -17.864 5.054 1.00 0.00 O ATOM 1065 CB LEU A 65 -7.252 -18.648 7.350 1.00 0.00 C ATOM 1066 CG LEU A 65 -6.455 -19.569 8.276 1.00 0.00 C ATOM 1067 CD1 LEU A 65 -6.821 -19.280 9.739 1.00 0.00 C ATOM 1068 CD2 LEU A 65 -6.770 -21.030 7.954 1.00 0.00 C ATOM 0 H LEU A 65 -8.111 -16.571 6.033 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.115 -17.019 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.261 -18.511 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.349 -19.104 6.365 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.391 -19.387 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.250 -19.939 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.586 -18.242 9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.887 -19.454 9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.199 -21.680 8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.835 -21.212 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.501 -21.241 6.919 1.00 0.00 H new ATOM 1080 N PHE A 66 -4.277 -16.901 6.487 1.00 0.00 N ATOM 1081 CA PHE A 66 -3.170 -16.894 5.540 1.00 0.00 C ATOM 1082 C PHE A 66 -2.770 -18.322 5.184 1.00 0.00 C ATOM 1083 O PHE A 66 -2.522 -18.633 4.018 1.00 0.00 O ATOM 1084 CB PHE A 66 -1.983 -16.132 6.127 1.00 0.00 C ATOM 1085 CG PHE A 66 -1.074 -15.664 5.012 1.00 0.00 C ATOM 1086 CD1 PHE A 66 -1.545 -14.694 4.120 1.00 0.00 C ATOM 1087 CD2 PHE A 66 0.229 -16.165 4.874 1.00 0.00 C ATOM 1088 CE1 PHE A 66 -0.729 -14.234 3.089 1.00 0.00 C ATOM 1089 CE2 PHE A 66 1.046 -15.701 3.837 1.00 0.00 C ATOM 1090 CZ PHE A 66 0.564 -14.736 2.946 1.00 0.00 C ATOM 0 H PHE A 66 -4.055 -16.503 7.399 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.488 -16.390 4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.337 -15.277 6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.431 -16.773 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.545 -14.301 4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.600 -16.906 5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.098 -13.488 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.048 -16.088 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.195 -14.379 2.145 1.00 0.00 H new ATOM 1100 N GLU A 67 -2.702 -19.189 6.193 1.00 0.00 N ATOM 1101 CA GLU A 67 -2.329 -20.580 5.976 1.00 0.00 C ATOM 1102 C GLU A 67 -3.145 -21.507 6.880 1.00 0.00 C ATOM 1103 O GLU A 67 -4.120 -22.119 6.444 1.00 0.00 O ATOM 1104 CB GLU A 67 -0.829 -20.770 6.252 1.00 0.00 C ATOM 1105 CG GLU A 67 -0.371 -19.828 7.377 1.00 0.00 C ATOM 1106 CD GLU A 67 1.101 -20.047 7.684 1.00 0.00 C ATOM 1107 OE1 GLU A 67 1.554 -21.173 7.556 1.00 0.00 O1- ATOM 1108 OE2 GLU A 67 1.757 -19.086 8.052 1.00 0.00 O ATOM 0 H GLU A 67 -2.900 -18.951 7.165 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.540 -20.835 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.632 -21.805 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.257 -20.570 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.538 -18.792 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.966 -20.005 8.273 1.00 0.00 H new ATOM 1115 N GLY A 68 -2.729 -21.605 8.137 1.00 0.00 N ATOM 1116 CA GLY A 68 -3.401 -22.453 9.116 1.00 0.00 C ATOM 1117 C GLY A 68 -3.479 -21.746 10.468 1.00 0.00 C ATOM 1118 O GLY A 68 -3.402 -22.385 11.517 1.00 0.00 O ATOM 0 H GLY A 68 -1.921 -21.103 8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.405 -22.697 8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.863 -23.395 9.221 1.00 0.00 H new ATOM 1122 N GLN A 69 -3.629 -20.424 10.436 1.00 0.00 N ATOM 1123 CA GLN A 69 -3.709 -19.645 11.666 1.00 0.00 C ATOM 1124 C GLN A 69 -4.168 -18.220 11.373 1.00 0.00 C ATOM 1125 O GLN A 69 -4.592 -17.915 10.261 1.00 0.00 O ATOM 1126 CB GLN A 69 -2.353 -19.633 12.369 1.00 0.00 C ATOM 1127 CG GLN A 69 -1.314 -18.980 11.460 1.00 0.00 C ATOM 1128 CD GLN A 69 0.063 -19.053 12.105 1.00 0.00 C ATOM 1129 OE1 GLN A 69 0.253 -19.781 13.078 1.00 0.00 O ATOM 1130 NE2 GLN A 69 1.043 -18.352 11.608 1.00 0.00 N ATOM 0 H GLN A 69 -3.697 -19.875 9.579 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.443 -20.111 12.324 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.424 -19.087 13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.049 -20.651 12.614 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.298 -19.482 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.583 -17.940 11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.881 -17.750 10.801 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.972 -18.406 12.026 1.00 0.00 H new ATOM 1139 N ARG A 70 -4.057 -17.355 12.373 1.00 0.00 N ATOM 1140 CA ARG A 70 -4.453 -15.958 12.208 1.00 0.00 C ATOM 1141 C ARG A 70 -3.238 -15.046 12.357 1.00 0.00 C ATOM 1142 O ARG A 70 -2.383 -15.273 13.213 1.00 0.00 O ATOM 1143 CB ARG A 70 -5.499 -15.584 13.259 1.00 0.00 C ATOM 1144 CG ARG A 70 -6.750 -16.435 13.062 1.00 0.00 C ATOM 1145 CD ARG A 70 -7.747 -16.130 14.180 1.00 0.00 C ATOM 1146 NE ARG A 70 -8.241 -14.764 14.056 1.00 0.00 N ATOM 1147 CZ ARG A 70 -9.052 -14.243 14.970 1.00 0.00 C ATOM 1148 NH1 ARG A 70 -9.419 -14.956 15.999 1.00 0.00 N ATOM 1149 NH2 ARG A 70 -9.486 -13.020 14.834 1.00 0.00 N ATOM 0 H ARG A 70 -3.700 -17.590 13.299 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.878 -15.832 11.212 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.095 -15.739 14.260 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.750 -14.526 13.177 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.198 -16.224 12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.489 -17.493 13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.580 -16.831 14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.269 -16.265 15.150 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.959 -14.199 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.083 -15.914 16.102 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.042 -14.556 16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.203 -12.465 14.026 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.109 -12.619 15.535 1.00 0.00 H new ATOM 1163 N ILE A 71 -3.170 -14.021 11.512 1.00 0.00 N ATOM 1164 CA ILE A 71 -2.054 -13.079 11.542 1.00 0.00 C ATOM 1165 C ILE A 71 -2.553 -11.640 11.640 1.00 0.00 C ATOM 1166 O ILE A 71 -3.681 -11.334 11.253 1.00 0.00 O ATOM 1167 CB ILE A 71 -1.205 -13.245 10.270 1.00 0.00 C ATOM 1168 CG1 ILE A 71 -2.068 -12.967 9.026 1.00 0.00 C ATOM 1169 CG2 ILE A 71 -0.662 -14.675 10.203 1.00 0.00 C ATOM 1170 CD1 ILE A 71 -1.187 -12.912 7.776 1.00 0.00 C ATOM 0 H ILE A 71 -3.872 -13.821 10.800 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.448 -13.293 12.422 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.375 -12.538 10.297 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.822 -13.747 8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.601 -12.024 9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.060 -14.794 9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.045 -14.871 11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.494 -15.379 10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.808 -12.715 6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.450 -12.116 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.675 -13.866 7.650 1.00 0.00 H new ATOM 1182 N ALA A 72 -1.699 -10.760 12.149 1.00 0.00 N ATOM 1183 CA ALA A 72 -2.046 -9.351 12.279 1.00 0.00 C ATOM 1184 C ALA A 72 -1.905 -8.640 10.934 1.00 0.00 C ATOM 1185 O ALA A 72 -1.237 -9.132 10.026 1.00 0.00 O ATOM 1186 CB ALA A 72 -1.170 -8.675 13.340 1.00 0.00 C ATOM 0 H ALA A 72 -0.763 -10.997 12.478 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.086 -9.281 12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.444 -7.623 13.422 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.320 -9.165 14.302 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.122 -8.755 13.051 1.00 0.00 H new ATOM 1192 N ASP A 73 -2.560 -7.494 10.815 1.00 0.00 N ATOM 1193 CA ASP A 73 -2.532 -6.715 9.576 1.00 0.00 C ATOM 1194 C ASP A 73 -1.556 -5.538 9.690 1.00 0.00 C ATOM 1195 O ASP A 73 -1.637 -4.582 8.918 1.00 0.00 O ATOM 1196 CB ASP A 73 -3.937 -6.202 9.260 1.00 0.00 C ATOM 1197 CG ASP A 73 -4.487 -5.406 10.433 1.00 0.00 C ATOM 1198 OD1 ASP A 73 -3.723 -5.107 11.335 1.00 0.00 O1- ATOM 1199 OD2 ASP A 73 -5.671 -5.111 10.415 1.00 0.00 O ATOM 0 H ASP A 73 -3.119 -7.079 11.560 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.191 -7.361 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.910 -5.576 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.597 -7.041 9.041 1.00 0.00 H new ATOM 1204 N ASN A 74 -0.655 -5.611 10.668 1.00 0.00 N ATOM 1205 CA ASN A 74 0.328 -4.548 10.891 1.00 0.00 C ATOM 1206 C ASN A 74 1.753 -5.022 10.599 1.00 0.00 C ATOM 1207 O ASN A 74 2.729 -4.406 11.028 1.00 0.00 O ATOM 1208 CB ASN A 74 0.217 -4.052 12.326 1.00 0.00 C ATOM 1209 CG ASN A 74 0.558 -5.178 13.292 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.094 -6.209 12.885 1.00 0.00 O ATOM 1211 ND2 ASN A 74 0.251 -5.048 14.550 1.00 0.00 N ATOM 0 H ASN A 74 -0.584 -6.393 11.319 1.00 0.00 H new ATOM 0 HA ASN A 74 0.112 -3.732 10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.892 -3.210 12.482 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.793 -3.690 12.518 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.454 -5.803 15.205 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.193 -4.191 14.881 1.00 0.00 H new ATOM 1218 N HIS A 75 1.852 -6.127 9.878 1.00 0.00 N ATOM 1219 CA HIS A 75 3.157 -6.684 9.543 1.00 0.00 C ATOM 1220 C HIS A 75 3.177 -7.202 8.114 1.00 0.00 C ATOM 1221 O HIS A 75 2.138 -7.552 7.551 1.00 0.00 O ATOM 1222 CB HIS A 75 3.487 -7.844 10.486 1.00 0.00 C ATOM 1223 CG HIS A 75 2.484 -8.946 10.282 1.00 0.00 C ATOM 1224 ND1 HIS A 75 2.617 -9.901 9.284 1.00 0.00 N ATOM 1225 CD2 HIS A 75 1.331 -9.263 10.947 1.00 0.00 C ATOM 1226 CE1 HIS A 75 1.566 -10.736 9.381 1.00 0.00 C ATOM 1227 NE2 HIS A 75 0.752 -10.391 10.380 1.00 0.00 N ATOM 0 H HIS A 75 1.056 -6.652 9.516 1.00 0.00 H new ATOM 0 HA HIS A 75 3.896 -5.890 9.648 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.494 -8.212 10.291 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.467 -7.504 11.521 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.373 -9.959 8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.930 -8.717 11.788 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.402 -11.582 8.730 1.00 0.00 H new ATOM 1235 N THR A 76 4.382 -7.249 7.542 1.00 0.00 N ATOM 1236 CA THR A 76 4.574 -7.727 6.180 1.00 0.00 C ATOM 1237 C THR A 76 5.684 -8.784 6.122 1.00 0.00 C ATOM 1238 O THR A 76 5.559 -9.771 5.402 1.00 0.00 O ATOM 1239 CB THR A 76 4.939 -6.563 5.242 1.00 0.00 C ATOM 1240 OG1 THR A 76 4.187 -5.411 5.587 1.00 0.00 O ATOM 1241 CG2 THR A 76 4.642 -6.955 3.798 1.00 0.00 C ATOM 0 H THR A 76 5.242 -6.959 8.008 1.00 0.00 H new ATOM 0 HA THR A 76 3.635 -8.175 5.854 1.00 0.00 H new ATOM 0 HB THR A 76 6.001 -6.341 5.346 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.425 -4.673 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.901 -6.129 3.136 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.231 -7.833 3.531 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.581 -7.184 3.694 1.00 0.00 H new ATOM 1249 N PRO A 77 6.774 -8.588 6.842 1.00 0.00 N ATOM 1250 CA PRO A 77 7.926 -9.526 6.844 1.00 0.00 C ATOM 1251 C PRO A 77 7.769 -10.638 7.874 1.00 0.00 C ATOM 1252 O PRO A 77 8.655 -11.474 8.036 1.00 0.00 O ATOM 1253 CB PRO A 77 9.116 -8.536 7.085 1.00 0.00 C ATOM 1254 CG PRO A 77 8.555 -7.426 7.909 1.00 0.00 C ATOM 1255 CD PRO A 77 7.039 -7.467 7.769 1.00 0.00 C ATOM 0 HA PRO A 77 8.057 -10.112 5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.939 -9.030 7.602 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.512 -8.162 6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.846 -7.540 8.953 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.944 -6.465 7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.557 -7.629 8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.653 -6.527 7.374 1.00 0.00 H new ATOM 1263 N LYS A 78 6.629 -10.656 8.550 1.00 0.00 N ATOM 1264 CA LYS A 78 6.375 -11.695 9.541 1.00 0.00 C ATOM 1265 C LYS A 78 6.353 -13.076 8.899 1.00 0.00 C ATOM 1266 O LYS A 78 7.000 -14.007 9.383 1.00 0.00 O ATOM 1267 CB LYS A 78 5.039 -11.425 10.225 1.00 0.00 C ATOM 1268 CG LYS A 78 4.955 -12.205 11.537 1.00 0.00 C ATOM 1269 CD LYS A 78 3.672 -11.833 12.278 1.00 0.00 C ATOM 1270 CE LYS A 78 3.614 -12.613 13.587 1.00 0.00 C ATOM 1271 NZ LYS A 78 2.378 -12.245 14.334 1.00 0.00 N1+ ATOM 0 H LYS A 78 5.877 -9.977 8.435 1.00 0.00 H new ATOM 0 HA LYS A 78 7.181 -11.676 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.930 -10.358 10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.219 -11.715 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.972 -13.276 11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.822 -11.983 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.648 -10.761 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.802 -12.063 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.623 -13.684 13.385 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.495 -12.395 14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.340 -12.778 15.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.387 -11.226 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.543 -12.474 13.758 1.00 0.00 H new ATOM 1285 N GLU A 79 5.618 -13.193 7.804 1.00 0.00 N ATOM 1286 CA GLU A 79 5.512 -14.465 7.089 1.00 0.00 C ATOM 1287 C GLU A 79 5.350 -14.264 5.589 1.00 0.00 C ATOM 1288 O GLU A 79 6.229 -14.661 4.826 1.00 0.00 O ATOM 1289 CB GLU A 79 4.318 -15.274 7.640 1.00 0.00 C ATOM 1290 CG GLU A 79 4.589 -15.710 9.088 1.00 0.00 C ATOM 1291 CD GLU A 79 5.813 -16.621 9.145 1.00 0.00 C ATOM 1292 OE1 GLU A 79 6.162 -17.172 8.113 1.00 0.00 O ATOM 1293 OE2 GLU A 79 6.390 -16.741 10.212 1.00 0.00 O1- ATOM 0 H GLU A 79 5.086 -12.428 7.389 1.00 0.00 H new ATOM 0 HA GLU A 79 6.440 -15.014 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.411 -14.670 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.146 -16.151 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.750 -14.833 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.719 -16.232 9.487 1.00 0.00 H new ATOM 1300 N LEU A 80 4.219 -13.646 5.228 1.00 0.00 N ATOM 1301 CA LEU A 80 3.863 -13.369 3.819 1.00 0.00 C ATOM 1302 C LEU A 80 4.932 -14.004 2.921 1.00 0.00 C ATOM 1303 O LEU A 80 5.055 -15.233 2.893 1.00 0.00 O ATOM 1304 CB LEU A 80 3.823 -11.870 3.557 1.00 0.00 C ATOM 1305 CG LEU A 80 2.462 -11.318 3.950 1.00 0.00 C ATOM 1306 CD1 LEU A 80 2.235 -11.489 5.455 1.00 0.00 C ATOM 1307 CD2 LEU A 80 2.422 -9.845 3.576 1.00 0.00 C ATOM 0 H LEU A 80 3.522 -13.322 5.898 1.00 0.00 H new ATOM 0 HA LEU A 80 2.877 -13.784 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.607 -11.370 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.017 -11.670 2.503 1.00 0.00 H new ATOM 0 HG LEU A 80 1.673 -11.859 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.257 -11.090 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.277 -12.548 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.009 -10.952 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.453 -9.426 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.210 -9.313 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.574 -9.738 2.502 1.00 0.00 H new ATOM 1319 N GLY A 81 5.731 -13.190 2.212 1.00 0.00 N ATOM 1320 CA GLY A 81 6.798 -13.737 1.381 1.00 0.00 C ATOM 1321 C GLY A 81 6.241 -14.610 0.266 1.00 0.00 C ATOM 1322 O GLY A 81 6.778 -15.677 -0.030 1.00 0.00 O ATOM 0 H GLY A 81 5.656 -12.173 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.380 -12.922 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.478 -14.323 1.999 1.00 0.00 H new ATOM 1326 N MET A 82 5.150 -14.157 -0.331 1.00 0.00 N ATOM 1327 CA MET A 82 4.514 -14.921 -1.396 1.00 0.00 C ATOM 1328 C MET A 82 5.215 -14.656 -2.722 1.00 0.00 C ATOM 1329 O MET A 82 5.818 -13.597 -2.918 1.00 0.00 O ATOM 1330 CB MET A 82 3.039 -14.559 -1.504 1.00 0.00 C ATOM 1331 CG MET A 82 2.400 -14.672 -0.115 1.00 0.00 C ATOM 1332 SD MET A 82 2.769 -16.276 0.657 1.00 0.00 S ATOM 1333 CE MET A 82 1.635 -17.292 -0.303 1.00 0.00 C ATOM 0 H MET A 82 4.690 -13.276 -0.101 1.00 0.00 H new ATOM 0 HA MET A 82 4.595 -15.981 -1.158 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.926 -13.546 -1.890 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.537 -15.225 -2.206 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.766 -13.867 0.522 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.320 -14.546 -0.198 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.836 -17.656 0.343 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.207 -16.697 -1.109 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.174 -18.140 -0.725 1.00 0.00 H new ATOM 1343 N GLU A 83 5.134 -15.620 -3.631 1.00 0.00 N ATOM 1344 CA GLU A 83 5.769 -15.471 -4.938 1.00 0.00 C ATOM 1345 C GLU A 83 4.765 -15.017 -5.992 1.00 0.00 C ATOM 1346 O GLU A 83 4.997 -14.041 -6.703 1.00 0.00 O ATOM 1347 CB GLU A 83 6.390 -16.805 -5.362 1.00 0.00 C ATOM 1348 CG GLU A 83 7.537 -17.174 -4.415 1.00 0.00 C ATOM 1349 CD GLU A 83 8.651 -16.137 -4.517 1.00 0.00 C ATOM 1350 OE1 GLU A 83 8.689 -15.433 -5.513 1.00 0.00 O ATOM 1351 OE2 GLU A 83 9.450 -16.066 -3.601 1.00 0.00 O1- ATOM 0 H GLU A 83 4.642 -16.503 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 83 6.544 -14.709 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.632 -17.588 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.760 -16.734 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.171 -17.227 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.924 -18.162 -4.666 1.00 0.00 H new ATOM 1358 N GLU A 84 3.654 -15.737 -6.093 1.00 0.00 N ATOM 1359 CA GLU A 84 2.633 -15.397 -7.073 1.00 0.00 C ATOM 1360 C GLU A 84 1.289 -15.995 -6.674 1.00 0.00 C ATOM 1361 O GLU A 84 0.282 -15.293 -6.612 1.00 0.00 O ATOM 1362 CB GLU A 84 3.036 -15.923 -8.455 1.00 0.00 C ATOM 1363 CG GLU A 84 1.988 -15.503 -9.493 1.00 0.00 C ATOM 1364 CD GLU A 84 2.405 -15.987 -10.878 1.00 0.00 C ATOM 1365 OE1 GLU A 84 3.558 -16.355 -11.033 1.00 0.00 O ATOM 1366 OE2 GLU A 84 1.565 -15.979 -11.765 1.00 0.00 O1- ATOM 0 H GLU A 84 3.440 -16.550 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 84 2.540 -14.312 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.015 -15.531 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.123 -17.009 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.016 -15.920 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.880 -14.418 -9.495 1.00 0.00 H new ATOM 1373 N GLU A 85 1.274 -17.303 -6.428 1.00 0.00 N ATOM 1374 CA GLU A 85 0.035 -17.980 -6.068 1.00 0.00 C ATOM 1375 C GLU A 85 -0.260 -17.816 -4.583 1.00 0.00 C ATOM 1376 O GLU A 85 0.052 -18.692 -3.776 1.00 0.00 O ATOM 1377 CB GLU A 85 0.148 -19.469 -6.408 1.00 0.00 C ATOM 1378 CG GLU A 85 0.211 -19.657 -7.927 1.00 0.00 C ATOM 1379 CD GLU A 85 0.411 -21.128 -8.267 1.00 0.00 C ATOM 1380 OE1 GLU A 85 0.448 -21.932 -7.349 1.00 0.00 O ATOM 1381 OE2 GLU A 85 0.530 -21.432 -9.444 1.00 0.00 O1- ATOM 0 H GLU A 85 2.095 -17.907 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.782 -17.533 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.040 -19.890 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.707 -20.009 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.709 -19.292 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.029 -19.066 -8.340 1.00 0.00 H new ATOM 1388 N ASP A 86 -0.878 -16.693 -4.239 1.00 0.00 N ATOM 1389 CA ASP A 86 -1.234 -16.420 -2.862 1.00 0.00 C ATOM 1390 C ASP A 86 -2.728 -16.671 -2.652 1.00 0.00 C ATOM 1391 O ASP A 86 -3.560 -16.032 -3.281 1.00 0.00 O ATOM 1392 CB ASP A 86 -0.858 -14.981 -2.483 1.00 0.00 C ATOM 1393 CG ASP A 86 -1.042 -14.784 -0.980 1.00 0.00 C ATOM 1394 OD1 ASP A 86 -1.034 -15.776 -0.271 1.00 0.00 O1- ATOM 1395 OD2 ASP A 86 -1.183 -13.647 -0.559 1.00 0.00 O ATOM 0 H ASP A 86 -1.141 -15.960 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.675 -17.092 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.176 -14.779 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.481 -14.275 -3.032 1.00 0.00 H new ATOM 1400 N VAL A 87 -3.067 -17.621 -1.787 1.00 0.00 N ATOM 1401 CA VAL A 87 -4.476 -17.938 -1.537 1.00 0.00 C ATOM 1402 C VAL A 87 -4.829 -17.775 -0.060 1.00 0.00 C ATOM 1403 O VAL A 87 -4.151 -18.312 0.814 1.00 0.00 O ATOM 1404 CB VAL A 87 -4.767 -19.372 -1.964 1.00 0.00 C ATOM 1405 CG1 VAL A 87 -6.141 -19.797 -1.440 1.00 0.00 C ATOM 1406 CG2 VAL A 87 -4.745 -19.474 -3.489 1.00 0.00 C ATOM 0 H VAL A 87 -2.401 -18.179 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.083 -17.243 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.003 -20.030 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.346 -20.823 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.150 -19.735 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.906 -19.136 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.954 -20.501 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.503 -18.813 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.763 -19.181 -3.859 1.00 0.00 H new ATOM 1416 N ILE A 88 -5.911 -17.043 0.196 1.00 0.00 N ATOM 1417 CA ILE A 88 -6.397 -16.815 1.558 1.00 0.00 C ATOM 1418 C ILE A 88 -7.835 -17.300 1.715 1.00 0.00 C ATOM 1419 O ILE A 88 -8.715 -16.929 0.940 1.00 0.00 O ATOM 1420 CB ILE A 88 -6.304 -15.331 1.923 1.00 0.00 C ATOM 1421 CG1 ILE A 88 -4.829 -14.905 1.985 1.00 0.00 C ATOM 1422 CG2 ILE A 88 -6.978 -15.079 3.271 1.00 0.00 C ATOM 1423 CD1 ILE A 88 -4.718 -13.378 2.075 1.00 0.00 C ATOM 0 H ILE A 88 -6.473 -16.594 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.763 -17.386 2.237 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.815 -14.743 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.347 -15.363 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.303 -15.263 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.906 -14.021 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.027 -15.368 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.482 -15.669 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.667 -13.091 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.181 -12.927 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.227 -13.029 2.974 1.00 0.00 H new ATOM 1435 N GLU A 89 -8.061 -18.121 2.732 1.00 0.00 N ATOM 1436 CA GLU A 89 -9.395 -18.650 3.009 1.00 0.00 C ATOM 1437 C GLU A 89 -10.108 -17.784 4.021 1.00 0.00 C ATOM 1438 O GLU A 89 -9.494 -17.288 4.969 1.00 0.00 O ATOM 1439 CB GLU A 89 -9.284 -20.077 3.550 1.00 0.00 C ATOM 1440 CG GLU A 89 -8.778 -20.994 2.447 1.00 0.00 C ATOM 1441 CD GLU A 89 -8.581 -22.409 2.982 1.00 0.00 C ATOM 1442 OE1 GLU A 89 -8.780 -22.606 4.171 1.00 0.00 O1- ATOM 1443 OE2 GLU A 89 -8.238 -23.277 2.195 1.00 0.00 O ATOM 0 H GLU A 89 -7.340 -18.437 3.380 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.966 -18.653 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.604 -20.104 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.255 -20.420 3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.489 -21.006 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.836 -20.613 2.052 1.00 0.00 H new ATOM 1450 N VAL A 90 -11.412 -17.614 3.823 1.00 0.00 N ATOM 1451 CA VAL A 90 -12.203 -16.813 4.740 1.00 0.00 C ATOM 1452 C VAL A 90 -13.494 -17.531 5.102 1.00 0.00 C ATOM 1453 O VAL A 90 -13.973 -18.376 4.347 1.00 0.00 O ATOM 1454 CB VAL A 90 -12.534 -15.458 4.100 1.00 0.00 C ATOM 1455 CG1 VAL A 90 -11.251 -14.692 3.793 1.00 0.00 C ATOM 1456 CG2 VAL A 90 -13.299 -15.679 2.792 1.00 0.00 C ATOM 0 H VAL A 90 -11.934 -18.016 3.045 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.621 -16.655 5.648 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.143 -14.884 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.500 -13.733 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.698 -14.524 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.638 -15.271 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.533 -14.715 2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.685 -16.263 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.224 -16.217 2.998 1.00 0.00 H new ATOM 1466 N TYR A 91 -14.061 -17.177 6.253 1.00 0.00 N ATOM 1467 CA TYR A 91 -15.310 -17.784 6.693 1.00 0.00 C ATOM 1468 C TYR A 91 -16.344 -16.707 6.971 1.00 0.00 C ATOM 1469 O TYR A 91 -16.038 -15.702 7.610 1.00 0.00 O ATOM 1470 CB TYR A 91 -15.069 -18.611 7.959 1.00 0.00 C ATOM 1471 CG TYR A 91 -14.104 -19.730 7.647 1.00 0.00 C ATOM 1472 CD1 TYR A 91 -14.576 -20.925 7.094 1.00 0.00 C ATOM 1473 CD2 TYR A 91 -12.737 -19.571 7.913 1.00 0.00 C ATOM 1474 CE1 TYR A 91 -13.681 -21.963 6.803 1.00 0.00 C ATOM 1475 CE2 TYR A 91 -11.844 -20.610 7.622 1.00 0.00 C ATOM 1476 CZ TYR A 91 -12.316 -21.805 7.068 1.00 0.00 C ATOM 1477 OH TYR A 91 -11.435 -22.826 6.782 1.00 0.00 O ATOM 0 H TYR A 91 -13.678 -16.479 6.891 1.00 0.00 H new ATOM 0 HA TYR A 91 -15.682 -18.437 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -14.667 -17.978 8.750 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -16.011 -19.019 8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -15.630 -21.047 6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.373 -18.649 8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.045 -22.885 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.790 -20.489 7.825 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.526 -22.552 7.026 1.00 0.00 H new ATOM 1487 N GLN A 92 -17.569 -16.924 6.498 1.00 0.00 N ATOM 1488 CA GLN A 92 -18.634 -15.957 6.712 1.00 0.00 C ATOM 1489 C GLN A 92 -19.789 -16.590 7.484 1.00 0.00 C ATOM 1490 O GLN A 92 -20.615 -17.302 6.913 1.00 0.00 O ATOM 1491 CB GLN A 92 -19.144 -15.448 5.362 1.00 0.00 C ATOM 1492 CG GLN A 92 -18.035 -14.682 4.647 1.00 0.00 C ATOM 1493 CD GLN A 92 -18.550 -14.117 3.321 1.00 0.00 C ATOM 1494 OE1 GLN A 92 -17.736 -13.443 2.548 1.00 0.00 O ATOM 1495 NE2 GLN A 92 -19.721 -14.289 2.984 1.00 0.00 N ATOM 0 H GLN A 92 -17.844 -17.752 5.970 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.236 -15.126 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -19.474 -16.286 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -20.009 -14.801 5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.677 -13.871 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.187 -15.342 4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.353 -14.814 3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.059 -13.906 2.101 1.00 0.00 H new ATOM 1504 N GLU A 93 -19.845 -16.310 8.780 1.00 0.00 N ATOM 1505 CA GLU A 93 -20.907 -16.838 9.629 1.00 0.00 C ATOM 1506 C GLU A 93 -22.259 -16.268 9.216 1.00 0.00 C ATOM 1507 O GLU A 93 -23.271 -16.969 9.221 1.00 0.00 O ATOM 1508 CB GLU A 93 -20.629 -16.502 11.094 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.417 -17.301 11.579 1.00 0.00 C ATOM 1510 CD GLU A 93 -19.091 -16.930 13.022 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -19.766 -16.065 13.556 1.00 0.00 O1- ATOM 1512 OE2 GLU A 93 -18.175 -17.517 13.572 1.00 0.00 O ATOM 0 H GLU A 93 -19.169 -15.721 9.266 1.00 0.00 H new ATOM 0 HA GLU A 93 -20.933 -17.921 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.442 -15.434 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -21.501 -16.737 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.623 -18.369 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.558 -17.098 10.940 1.00 0.00 H new ATOM 1519 N GLN A 94 -22.265 -14.986 8.864 1.00 0.00 N ATOM 1520 CA GLN A 94 -23.492 -14.314 8.456 1.00 0.00 C ATOM 1521 C GLN A 94 -23.217 -13.321 7.334 1.00 0.00 C ATOM 1522 O GLN A 94 -22.101 -12.818 7.190 1.00 0.00 O ATOM 1523 CB GLN A 94 -24.101 -13.588 9.654 1.00 0.00 C ATOM 1524 CG GLN A 94 -23.132 -12.520 10.153 1.00 0.00 C ATOM 1525 CD GLN A 94 -23.697 -11.867 11.403 1.00 0.00 C ATOM 1526 OE1 GLN A 94 -24.107 -10.637 11.344 1.00 0.00 O ATOM 1527 NE2 GLN A 94 -23.786 -12.501 12.454 1.00 0.00 N ATOM 0 H GLN A 94 -21.435 -14.393 8.853 1.00 0.00 H new ATOM 0 HA GLN A 94 -24.193 -15.063 8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -25.049 -13.130 9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -24.316 -14.299 10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.162 -12.967 10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -22.971 -11.770 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -23.462 -13.467 12.496 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -24.183 -12.060 13.284 1.00 0.00 H new ATOM 1536 N THR A 95 -24.245 -13.041 6.539 1.00 0.00 N ATOM 1537 CA THR A 95 -24.111 -12.106 5.430 1.00 0.00 C ATOM 1538 C THR A 95 -23.940 -10.683 5.951 1.00 0.00 C ATOM 1539 O THR A 95 -23.382 -9.824 5.269 1.00 0.00 O ATOM 1540 CB THR A 95 -25.341 -12.180 4.522 1.00 0.00 C ATOM 1541 OG1 THR A 95 -26.502 -11.855 5.271 1.00 0.00 O ATOM 1542 CG2 THR A 95 -25.474 -13.597 3.958 1.00 0.00 C ATOM 0 H THR A 95 -25.175 -13.447 6.642 1.00 0.00 H new ATOM 0 HA THR A 95 -23.227 -12.380 4.855 1.00 0.00 H new ATOM 0 HB THR A 95 -25.230 -11.472 3.700 1.00 0.00 H new ATOM 0 HG1 THR A 95 -26.951 -11.087 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 95 -26.350 -13.650 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 95 -24.582 -13.845 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 95 -25.585 -14.306 4.778 1.00 0.00 H new ATOM 1550 N GLY A 96 -24.434 -10.440 7.161 1.00 0.00 N ATOM 1551 CA GLY A 96 -24.337 -9.114 7.762 1.00 0.00 C ATOM 1552 C GLY A 96 -25.455 -8.201 7.263 1.00 0.00 C ATOM 1553 O GLY A 96 -25.490 -7.017 7.588 1.00 0.00 O ATOM 0 H GLY A 96 -24.902 -11.137 7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -24.390 -9.199 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.369 -8.673 7.523 1.00 0.00 H new ATOM 1557 N GLY A 97 -26.363 -8.760 6.471 1.00 0.00 N ATOM 1558 CA GLY A 97 -27.474 -7.985 5.936 1.00 0.00 C ATOM 1559 C GLY A 97 -28.493 -8.908 5.286 1.00 0.00 C ATOM 1560 O GLY A 97 -28.278 -10.118 5.216 1.00 0.00 O ATOM 0 H GLY A 97 -26.352 -9.740 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -27.947 -7.414 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -27.106 -7.265 5.205 1.00 0.00 H new ATOM 1564 N HIS A 98 -29.598 -8.333 4.820 1.00 0.00 N ATOM 1565 CA HIS A 98 -30.653 -9.117 4.181 1.00 0.00 C ATOM 1566 C HIS A 98 -31.190 -10.191 5.124 1.00 0.00 C ATOM 1567 O HIS A 98 -32.315 -10.087 5.619 1.00 0.00 O ATOM 1568 CB HIS A 98 -30.131 -9.757 2.888 1.00 0.00 C ATOM 1569 CG HIS A 98 -31.133 -10.759 2.390 1.00 0.00 C ATOM 1570 ND1 HIS A 98 -32.328 -10.376 1.802 1.00 0.00 N ATOM 1571 CD2 HIS A 98 -31.135 -12.132 2.384 1.00 0.00 C ATOM 1572 CE1 HIS A 98 -32.992 -11.499 1.468 1.00 0.00 C ATOM 1573 NE2 HIS A 98 -32.310 -12.597 1.802 1.00 0.00 N ATOM 0 H HIS A 98 -29.787 -7.332 4.872 1.00 0.00 H new ATOM 0 HA HIS A 98 -31.473 -8.442 3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -29.960 -8.990 2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -29.173 -10.244 3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -30.344 -12.757 2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -33.959 -11.510 0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -32.590 -13.568 1.661 1.00 0.00 H new ATOM 1581 N SER A 99 -30.385 -11.217 5.377 1.00 0.00 N ATOM 1582 CA SER A 99 -30.789 -12.297 6.260 1.00 0.00 C ATOM 1583 C SER A 99 -30.882 -11.800 7.697 1.00 0.00 C ATOM 1584 O SER A 99 -30.121 -10.926 8.114 1.00 0.00 O ATOM 1585 CB SER A 99 -29.767 -13.429 6.178 1.00 0.00 C ATOM 1586 OG SER A 99 -29.741 -13.943 4.852 1.00 0.00 O ATOM 0 H SER A 99 -29.450 -11.321 4.982 1.00 0.00 H new ATOM 0 HA SER A 99 -31.768 -12.660 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 99 -28.779 -13.064 6.458 1.00 0.00 H new ATOM 0 HB3 SER A 99 -30.026 -14.220 6.882 1.00 0.00 H new ATOM 0 HG SER A 99 -29.085 -14.669 4.795 1.00 0.00 H new ATOM 1592 N THR A 100 -31.820 -12.362 8.444 1.00 0.00 N ATOM 1593 CA THR A 100 -32.010 -11.974 9.835 1.00 0.00 C ATOM 1594 C THR A 100 -30.808 -12.384 10.677 1.00 0.00 C ATOM 1595 O THR A 100 -30.412 -11.673 11.601 1.00 0.00 O ATOM 1596 CB THR A 100 -33.275 -12.629 10.387 1.00 0.00 C ATOM 1597 OG1 THR A 100 -33.548 -12.111 11.682 1.00 0.00 O ATOM 1598 CG2 THR A 100 -33.081 -14.144 10.475 1.00 0.00 C ATOM 0 H THR A 100 -32.459 -13.085 8.113 1.00 0.00 H new ATOM 0 HA THR A 100 -32.113 -10.890 9.881 1.00 0.00 H new ATOM 0 HB THR A 100 -34.111 -12.413 9.721 1.00 0.00 H new ATOM 0 HG1 THR A 100 -34.360 -12.529 12.037 1.00 0.00 H new ATOM 0 HG21 THR A 100 -33.987 -14.605 10.869 1.00 0.00 H new ATOM 0 HG22 THR A 100 -32.874 -14.543 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 100 -32.244 -14.366 11.137 1.00 0.00 H new ATOM 1606 N VAL A 101 -30.229 -13.538 10.354 1.00 0.00 N ATOM 1607 CA VAL A 101 -29.075 -14.039 11.090 1.00 0.00 C ATOM 1608 C VAL A 101 -27.795 -13.819 10.290 1.00 0.00 C ATOM 1609 O VAL A 101 -28.460 -13.370 9.360 1.00 0.00 O ATOM 1610 CB VAL A 101 -29.249 -15.530 11.379 1.00 0.00 C ATOM 1611 CG1 VAL A 101 -29.315 -16.305 10.061 1.00 0.00 C ATOM 1612 CG2 VAL A 101 -28.060 -16.031 12.203 1.00 0.00 C ATOM 0 H VAL A 101 -30.539 -14.140 9.591 1.00 0.00 H new ATOM 0 HA VAL A 101 -29.001 -13.493 12.031 1.00 0.00 H new ATOM 0 HB VAL A 101 -30.172 -15.684 11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -29.439 -17.368 10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -30.161 -15.950 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -28.392 -16.150 9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -28.183 -17.094 12.410 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -27.138 -15.874 11.643 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -28.012 -15.482 13.143 1.00 0.00 H new TER 1622 VAL A 101 ATOM 1623 N GLY B 201 31.818 -18.052 7.602 1.00 0.00 N ATOM 1624 CA GLY B 201 32.035 -17.536 8.985 1.00 0.00 C ATOM 1625 C GLY B 201 30.842 -16.686 9.421 1.00 0.00 C ATOM 1626 O GLY B 201 29.945 -16.399 8.629 1.00 0.00 O ATOM 0 HA2 GLY B 201 32.170 -18.369 9.675 1.00 0.00 H new ATOM 0 HA3 GLY B 201 32.948 -16.941 9.021 1.00 0.00 H new ATOM 1629 N GLN B 202 30.847 -16.296 10.669 1.00 0.00 N ATOM 1630 CA GLN B 202 29.736 -15.458 11.205 1.00 0.00 C ATOM 1631 C GLN B 202 30.331 -14.286 11.983 1.00 0.00 C ATOM 1632 O GLN B 202 31.266 -14.459 12.764 1.00 0.00 O ATOM 1633 CB GLN B 202 28.844 -16.291 12.134 1.00 0.00 C ATOM 1634 CG GLN B 202 27.678 -15.431 12.633 1.00 0.00 C ATOM 1635 CD GLN B 202 27.954 -14.957 14.054 1.00 0.00 C ATOM 1636 OE1 GLN B 202 28.722 -14.019 14.256 1.00 0.00 O ATOM 1637 NE2 GLN B 202 27.369 -15.553 15.056 1.00 0.00 N ATOM 0 H GLN B 202 31.578 -16.524 11.343 1.00 0.00 H new ATOM 0 HA GLN B 202 29.130 -15.088 10.378 1.00 0.00 H new ATOM 0 HB2 GLN B 202 28.464 -17.164 11.604 1.00 0.00 H new ATOM 0 HB3 GLN B 202 29.425 -16.659 12.979 1.00 0.00 H new ATOM 0 HG2 GLN B 202 27.540 -14.573 11.975 1.00 0.00 H new ATOM 0 HG3 GLN B 202 26.753 -16.006 12.606 1.00 0.00 H new ATOM 0 HE21 GLN B 202 26.732 -16.331 14.885 1.00 0.00 H new ATOM 0 HE22 GLN B 202 27.548 -15.241 16.010 1.00 0.00 H new ATOM 1646 N ASP B 203 29.797 -13.114 11.767 1.00 0.00 N ATOM 1647 CA ASP B 203 30.322 -11.914 12.482 1.00 0.00 C ATOM 1648 C ASP B 203 29.182 -10.935 12.763 1.00 0.00 C ATOM 1649 O ASP B 203 28.017 -11.327 12.843 1.00 0.00 O ATOM 1650 CB ASP B 203 31.424 -11.225 11.677 1.00 0.00 C ATOM 1651 CG ASP B 203 32.281 -10.378 12.615 1.00 0.00 C ATOM 1652 OD1 ASP B 203 32.894 -10.947 13.502 1.00 0.00 O1- ATOM 1653 OD2 ASP B 203 32.307 -9.174 12.435 1.00 0.00 O ATOM 0 H ASP B 203 29.022 -12.935 11.128 1.00 0.00 H new ATOM 0 HA ASP B 203 30.755 -12.244 13.426 1.00 0.00 H new ATOM 0 HB2 ASP B 203 32.042 -11.969 11.174 1.00 0.00 H new ATOM 0 HB3 ASP B 203 30.985 -10.598 10.901 1.00 0.00 H new ATOM 1658 N ARG B 204 29.526 -9.684 12.931 1.00 0.00 N ATOM 1659 CA ARG B 204 28.473 -8.645 13.236 1.00 0.00 C ATOM 1660 C ARG B 204 27.624 -8.397 11.973 1.00 0.00 C ATOM 1661 O ARG B 204 27.583 -9.241 11.079 1.00 0.00 O ATOM 1662 CB ARG B 204 29.115 -7.311 13.713 1.00 0.00 C ATOM 1663 CG ARG B 204 28.452 -6.799 15.021 1.00 0.00 C ATOM 1664 CD ARG B 204 27.007 -6.405 14.755 1.00 0.00 C ATOM 1665 NE ARG B 204 26.923 -5.216 13.858 1.00 0.00 N ATOM 1666 CZ ARG B 204 26.967 -4.008 14.361 1.00 0.00 C ATOM 1667 NH1 ARG B 204 27.105 -3.835 15.649 1.00 0.00 N ATOM 1668 NH2 ARG B 204 26.874 -2.973 13.573 1.00 0.00 N ATOM 0 H ARG B 204 30.481 -9.330 12.873 1.00 0.00 H new ATOM 0 HA ARG B 204 27.842 -9.018 14.042 1.00 0.00 H new ATOM 0 HB2 ARG B 204 30.182 -7.458 13.878 1.00 0.00 H new ATOM 0 HB3 ARG B 204 29.013 -6.557 12.932 1.00 0.00 H new ATOM 0 HG2 ARG B 204 28.491 -7.575 15.785 1.00 0.00 H new ATOM 0 HG3 ARG B 204 29.005 -5.943 15.407 1.00 0.00 H new ATOM 0 HD2 ARG B 204 26.477 -7.243 14.301 1.00 0.00 H new ATOM 0 HD3 ARG B 204 26.508 -6.186 15.699 1.00 0.00 H new ATOM 0 HE ARG B 204 26.831 -5.344 12.850 1.00 0.00 H new ATOM 0 HH11 ARG B 204 27.179 -4.643 16.267 1.00 0.00 H new ATOM 0 HH12 ARG B 204 27.139 -2.892 16.036 1.00 0.00 H new ATOM 0 HH21 ARG B 204 26.767 -3.106 12.567 1.00 0.00 H new ATOM 0 HH22 ARG B 204 26.908 -2.031 13.962 1.00 0.00 H new ATOM 1682 N PHE B 205 26.945 -7.267 11.917 1.00 0.00 N ATOM 1683 CA PHE B 205 26.088 -6.955 10.713 1.00 0.00 C ATOM 1684 C PHE B 205 26.465 -5.590 10.150 1.00 0.00 C ATOM 1685 O PHE B 205 25.718 -5.018 9.361 1.00 0.00 O ATOM 1686 CB PHE B 205 24.602 -6.919 11.085 1.00 0.00 C ATOM 1687 CG PHE B 205 24.407 -5.972 12.242 1.00 0.00 C ATOM 1688 CD1 PHE B 205 24.350 -4.588 12.023 1.00 0.00 C ATOM 1689 CD2 PHE B 205 24.277 -6.477 13.533 1.00 0.00 C ATOM 1690 CE1 PHE B 205 24.176 -3.717 13.101 1.00 0.00 C ATOM 1691 CE2 PHE B 205 24.099 -5.607 14.615 1.00 0.00 C ATOM 1692 CZ PHE B 205 24.050 -4.223 14.397 1.00 0.00 C ATOM 0 H PHE B 205 26.946 -6.552 12.645 1.00 0.00 H new ATOM 0 HA PHE B 205 26.259 -7.739 9.975 1.00 0.00 H new ATOM 0 HB2 PHE B 205 24.008 -6.596 10.230 1.00 0.00 H new ATOM 0 HB3 PHE B 205 24.257 -7.917 11.354 1.00 0.00 H new ATOM 0 HD1 PHE B 205 24.441 -4.196 11.021 1.00 0.00 H new ATOM 0 HD2 PHE B 205 24.314 -7.543 13.700 1.00 0.00 H new ATOM 0 HE1 PHE B 205 24.139 -2.651 12.932 1.00 0.00 H new ATOM 0 HE2 PHE B 205 24.000 -6.001 15.616 1.00 0.00 H new ATOM 0 HZ PHE B 205 23.915 -3.549 15.230 1.00 0.00 H new ATOM 1702 N VAL B 206 27.566 -5.051 10.593 1.00 0.00 N ATOM 1703 CA VAL B 206 27.949 -3.679 10.148 1.00 0.00 C ATOM 1704 C VAL B 206 27.911 -3.570 8.627 1.00 0.00 C ATOM 1705 O VAL B 206 28.911 -3.773 7.939 1.00 0.00 O ATOM 1706 CB VAL B 206 29.368 -3.377 10.633 1.00 0.00 C ATOM 1707 CG1 VAL B 206 29.893 -2.113 9.953 1.00 0.00 C ATOM 1708 CG2 VAL B 206 29.360 -3.164 12.145 1.00 0.00 C ATOM 0 H VAL B 206 28.216 -5.497 11.241 1.00 0.00 H new ATOM 0 HA VAL B 206 27.240 -2.965 10.567 1.00 0.00 H new ATOM 0 HB VAL B 206 30.013 -4.219 10.383 1.00 0.00 H new ATOM 0 HG11 VAL B 206 30.904 -1.904 10.303 1.00 0.00 H new ATOM 0 HG12 VAL B 206 29.906 -2.260 8.873 1.00 0.00 H new ATOM 0 HG13 VAL B 206 29.244 -1.272 10.197 1.00 0.00 H new ATOM 0 HG21 VAL B 206 30.372 -2.949 12.488 1.00 0.00 H new ATOM 0 HG22 VAL B 206 28.708 -2.326 12.391 1.00 0.00 H new ATOM 0 HG23 VAL B 206 28.994 -4.065 12.637 1.00 0.00 H new ATOM 1718 N TYR B 207 26.743 -3.251 8.129 1.00 0.00 N ATOM 1719 CA TYR B 207 26.559 -3.107 6.659 1.00 0.00 C ATOM 1720 C TYR B 207 25.297 -2.297 6.372 1.00 0.00 C ATOM 1721 O TYR B 207 24.652 -1.800 7.291 1.00 0.00 O ATOM 1722 CB TYR B 207 26.438 -4.471 6.017 1.00 0.00 C ATOM 1723 CG TYR B 207 27.805 -4.997 5.648 1.00 0.00 C ATOM 1724 CD1 TYR B 207 28.482 -4.464 4.545 1.00 0.00 C ATOM 1725 CD2 TYR B 207 28.388 -6.026 6.395 1.00 0.00 C ATOM 1726 CE1 TYR B 207 29.741 -4.959 4.188 1.00 0.00 C ATOM 1727 CE2 TYR B 207 29.648 -6.518 6.037 1.00 0.00 C ATOM 1728 CZ TYR B 207 30.323 -5.987 4.934 1.00 0.00 C ATOM 1729 OH TYR B 207 31.560 -6.480 4.580 1.00 0.00 O ATOM 0 H TYR B 207 25.904 -3.084 8.685 1.00 0.00 H new ATOM 0 HA TYR B 207 27.424 -2.590 6.244 1.00 0.00 H new ATOM 0 HB2 TYR B 207 25.948 -5.162 6.703 1.00 0.00 H new ATOM 0 HB3 TYR B 207 25.812 -4.408 5.127 1.00 0.00 H new ATOM 0 HD1 TYR B 207 28.032 -3.669 3.969 1.00 0.00 H new ATOM 0 HD2 TYR B 207 27.867 -6.440 7.246 1.00 0.00 H new ATOM 0 HE1 TYR B 207 30.262 -4.547 3.337 1.00 0.00 H new ATOM 0 HE2 TYR B 207 30.100 -7.310 6.615 1.00 0.00 H new ATOM 0 HH TYR B 207 31.820 -7.190 5.203 1.00 0.00 H new ATOM 1739 N THR B 208 24.957 -2.173 5.110 1.00 0.00 N ATOM 1740 CA THR B 208 23.731 -1.407 4.737 1.00 0.00 C ATOM 1741 C THR B 208 22.975 -2.099 3.604 1.00 0.00 C ATOM 1742 O THR B 208 23.502 -2.994 2.942 1.00 0.00 O ATOM 1743 CB THR B 208 24.074 0.017 4.324 1.00 0.00 C ATOM 1744 OG1 THR B 208 24.715 0.012 3.054 1.00 0.00 O ATOM 1745 CG2 THR B 208 25.007 0.640 5.366 1.00 0.00 C ATOM 0 H THR B 208 25.476 -2.569 4.326 1.00 0.00 H new ATOM 0 HA THR B 208 23.093 -1.372 5.620 1.00 0.00 H new ATOM 0 HB THR B 208 23.157 0.602 4.259 1.00 0.00 H new ATOM 0 HG1 THR B 208 24.932 0.932 2.793 1.00 0.00 H new ATOM 0 HG21 THR B 208 25.253 1.660 5.071 1.00 0.00 H new ATOM 0 HG22 THR B 208 24.511 0.653 6.337 1.00 0.00 H new ATOM 0 HG23 THR B 208 25.922 0.051 5.434 1.00 0.00 H new ATOM 1753 N CYS B 209 21.748 -1.678 3.407 1.00 0.00 N ATOM 1754 CA CYS B 209 20.883 -2.265 2.339 1.00 0.00 C ATOM 1755 C CYS B 209 20.481 -1.186 1.339 1.00 0.00 C ATOM 1756 O CYS B 209 19.990 -0.125 1.708 1.00 0.00 O ATOM 1757 CB CYS B 209 19.682 -2.916 2.995 1.00 0.00 C ATOM 1758 SG CYS B 209 18.260 -2.991 1.873 1.00 0.00 S ATOM 0 H CYS B 209 21.304 -0.939 3.952 1.00 0.00 H new ATOM 0 HA CYS B 209 21.426 -3.027 1.780 1.00 0.00 H new ATOM 0 HB2 CYS B 209 19.945 -3.924 3.316 1.00 0.00 H new ATOM 0 HB3 CYS B 209 19.409 -2.357 3.890 1.00 0.00 H new ATOM 1763 N ASN B 210 20.764 -1.459 0.095 1.00 0.00 N ATOM 1764 CA ASN B 210 20.508 -0.484 -1.001 1.00 0.00 C ATOM 1765 C ASN B 210 19.088 -0.596 -1.536 1.00 0.00 C ATOM 1766 O ASN B 210 18.729 0.095 -2.491 1.00 0.00 O ATOM 1767 CB ASN B 210 21.503 -0.712 -2.138 1.00 0.00 C ATOM 1768 CG ASN B 210 21.584 0.533 -3.014 1.00 0.00 C ATOM 1769 OD1 ASN B 210 21.438 1.652 -2.518 1.00 0.00 O ATOM 1770 ND2 ASN B 210 21.818 0.410 -4.291 1.00 0.00 N ATOM 0 H ASN B 210 21.173 -2.341 -0.214 1.00 0.00 H new ATOM 0 HA ASN B 210 20.634 0.518 -0.590 1.00 0.00 H new ATOM 0 HB2 ASN B 210 22.487 -0.945 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN B 210 21.194 -1.569 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN B 210 21.880 1.240 -4.880 1.00 0.00 H new ATOM 0 HD22 ASN B 210 21.939 -0.516 -4.700 1.00 0.00 H new ATOM 1777 N GLU B 211 18.289 -1.430 -0.946 1.00 0.00 N ATOM 1778 CA GLU B 211 16.889 -1.558 -1.430 1.00 0.00 C ATOM 1779 C GLU B 211 15.982 -0.553 -0.708 1.00 0.00 C ATOM 1780 O GLU B 211 15.080 0.011 -1.329 1.00 0.00 O ATOM 1781 CB GLU B 211 16.386 -2.988 -1.211 1.00 0.00 C ATOM 1782 CG GLU B 211 17.064 -3.970 -2.177 1.00 0.00 C ATOM 1783 CD GLU B 211 16.731 -3.620 -3.626 1.00 0.00 C ATOM 1784 OE1 GLU B 211 15.558 -3.459 -3.920 1.00 0.00 O1- ATOM 1785 OE2 GLU B 211 17.654 -3.527 -4.421 1.00 0.00 O ATOM 0 H GLU B 211 18.538 -2.025 -0.156 1.00 0.00 H new ATOM 0 HA GLU B 211 16.864 -1.339 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU B 211 16.582 -3.292 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU B 211 15.306 -3.022 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU B 211 18.144 -3.944 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU B 211 16.737 -4.987 -1.959 1.00 0.00 H new ATOM 1792 N CYS B 212 16.217 -0.324 0.569 1.00 0.00 N ATOM 1793 CA CYS B 212 15.369 0.658 1.326 1.00 0.00 C ATOM 1794 C CYS B 212 16.256 1.657 2.078 1.00 0.00 C ATOM 1795 O CYS B 212 15.755 2.613 2.674 1.00 0.00 O ATOM 1796 CB CYS B 212 14.444 -0.068 2.315 1.00 0.00 C ATOM 1797 SG CYS B 212 15.416 -1.092 3.450 1.00 0.00 S ATOM 0 H CYS B 212 16.954 -0.772 1.114 1.00 0.00 H new ATOM 0 HA CYS B 212 14.753 1.199 0.608 1.00 0.00 H new ATOM 0 HB2 CYS B 212 13.861 0.660 2.880 1.00 0.00 H new ATOM 0 HB3 CYS B 212 13.735 -0.691 1.770 1.00 0.00 H new ATOM 1802 N LYS B 213 17.545 1.430 2.052 1.00 0.00 N ATOM 1803 CA LYS B 213 18.507 2.347 2.760 1.00 0.00 C ATOM 1804 C LYS B 213 18.236 2.344 4.271 1.00 0.00 C ATOM 1805 O LYS B 213 18.256 3.384 4.930 1.00 0.00 O ATOM 1806 CB LYS B 213 18.430 3.788 2.190 1.00 0.00 C ATOM 1807 CG LYS B 213 19.459 3.995 1.050 1.00 0.00 C ATOM 1808 CD LYS B 213 20.692 4.746 1.578 1.00 0.00 C ATOM 1809 CE LYS B 213 21.430 3.891 2.612 1.00 0.00 C ATOM 1810 NZ LYS B 213 22.656 4.608 3.067 1.00 0.00 N1+ ATOM 0 H LYS B 213 17.981 0.645 1.569 1.00 0.00 H new ATOM 0 HA LYS B 213 19.517 1.976 2.589 1.00 0.00 H new ATOM 0 HB2 LYS B 213 17.425 3.981 1.815 1.00 0.00 H new ATOM 0 HB3 LYS B 213 18.617 4.508 2.987 1.00 0.00 H new ATOM 0 HG2 LYS B 213 19.759 3.030 0.642 1.00 0.00 H new ATOM 0 HG3 LYS B 213 19.002 4.558 0.236 1.00 0.00 H new ATOM 0 HD2 LYS B 213 21.361 4.988 0.752 1.00 0.00 H new ATOM 0 HD3 LYS B 213 20.386 5.691 2.028 1.00 0.00 H new ATOM 0 HE2 LYS B 213 20.779 3.687 3.462 1.00 0.00 H new ATOM 0 HE3 LYS B 213 21.699 2.928 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 213 23.157 4.027 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 213 23.279 4.781 2.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 213 22.388 5.516 3.497 1.00 0.00 H new ATOM 1824 N HIS B 214 18.001 1.176 4.807 1.00 0.00 N ATOM 1825 CA HIS B 214 17.746 1.080 6.283 1.00 0.00 C ATOM 1826 C HIS B 214 18.397 -0.180 6.852 1.00 0.00 C ATOM 1827 O HIS B 214 17.719 -1.186 7.059 1.00 0.00 O ATOM 1828 CB HIS B 214 16.240 1.008 6.556 1.00 0.00 C ATOM 1829 CG HIS B 214 15.991 1.293 8.009 1.00 0.00 C ATOM 1830 ND1 HIS B 214 16.418 0.437 9.013 1.00 0.00 N ATOM 1831 CD2 HIS B 214 15.355 2.330 8.647 1.00 0.00 C ATOM 1832 CE1 HIS B 214 16.040 0.969 10.189 1.00 0.00 C ATOM 1833 NE2 HIS B 214 15.389 2.122 10.022 1.00 0.00 N ATOM 0 H HIS B 214 17.974 0.292 4.299 1.00 0.00 H new ATOM 0 HA HIS B 214 18.170 1.965 6.757 1.00 0.00 H new ATOM 0 HB2 HIS B 214 15.710 1.730 5.935 1.00 0.00 H new ATOM 0 HB3 HIS B 214 15.857 0.021 6.295 1.00 0.00 H new ATOM 0 HD1 HIS B 214 16.927 -0.438 8.883 1.00 0.00 H new ATOM 0 HD2 HIS B 214 14.899 3.177 8.156 1.00 0.00 H new ATOM 0 HE1 HIS B 214 16.239 0.519 11.150 1.00 0.00 H new ATOM 1841 N HIS B 215 19.687 -0.160 7.066 1.00 0.00 N ATOM 1842 CA HIS B 215 20.345 -1.397 7.563 1.00 0.00 C ATOM 1843 C HIS B 215 19.656 -1.857 8.830 1.00 0.00 C ATOM 1844 O HIS B 215 19.129 -1.056 9.602 1.00 0.00 O ATOM 1845 CB HIS B 215 21.813 -1.147 7.884 1.00 0.00 C ATOM 1846 CG HIS B 215 21.985 -0.910 9.350 1.00 0.00 C ATOM 1847 ND1 HIS B 215 21.663 0.292 9.959 1.00 0.00 N ATOM 1848 CD2 HIS B 215 22.463 -1.721 10.344 1.00 0.00 C ATOM 1849 CE1 HIS B 215 21.950 0.170 11.269 1.00 0.00 C ATOM 1850 NE2 HIS B 215 22.440 -1.040 11.555 1.00 0.00 N ATOM 0 H HIS B 215 20.300 0.643 6.921 1.00 0.00 H new ATOM 0 HA HIS B 215 20.273 -2.154 6.783 1.00 0.00 H new ATOM 0 HB2 HIS B 215 22.412 -2.003 7.573 1.00 0.00 H new ATOM 0 HB3 HIS B 215 22.174 -0.285 7.323 1.00 0.00 H new ATOM 0 HD1 HIS B 215 21.279 1.118 9.499 1.00 0.00 H new ATOM 0 HD2 HIS B 215 22.806 -2.736 10.208 1.00 0.00 H new ATOM 0 HE1 HIS B 215 21.802 0.953 11.998 1.00 0.00 H new ATOM 1858 N VAL B 216 19.664 -3.143 9.019 1.00 0.00 N ATOM 1859 CA VAL B 216 19.004 -3.724 10.234 1.00 0.00 C ATOM 1860 C VAL B 216 19.842 -4.883 10.761 1.00 0.00 C ATOM 1861 O VAL B 216 20.135 -5.798 10.017 1.00 0.00 O ATOM 1862 CB VAL B 216 17.610 -4.247 9.872 1.00 0.00 C ATOM 1863 CG1 VAL B 216 16.839 -3.193 9.077 1.00 0.00 C ATOM 1864 CG2 VAL B 216 17.747 -5.518 9.039 1.00 0.00 C ATOM 0 H VAL B 216 20.095 -3.822 8.392 1.00 0.00 H new ATOM 0 HA VAL B 216 18.917 -2.948 10.995 1.00 0.00 H new ATOM 0 HB VAL B 216 17.063 -4.466 10.789 1.00 0.00 H new ATOM 0 HG11 VAL B 216 15.850 -3.578 8.826 1.00 0.00 H new ATOM 0 HG12 VAL B 216 16.735 -2.289 9.677 1.00 0.00 H new ATOM 0 HG13 VAL B 216 17.381 -2.960 8.160 1.00 0.00 H new ATOM 0 HG21 VAL B 216 16.756 -5.892 8.780 1.00 0.00 H new ATOM 0 HG22 VAL B 216 18.301 -5.297 8.127 1.00 0.00 H new ATOM 0 HG23 VAL B 216 18.281 -6.274 9.614 1.00 0.00 H new ATOM 1874 N GLU B 217 20.189 -4.808 12.026 1.00 0.00 N ATOM 1875 CA GLU B 217 21.015 -5.865 12.733 1.00 0.00 C ATOM 1876 C GLU B 217 21.152 -7.176 11.925 1.00 0.00 C ATOM 1877 O GLU B 217 20.892 -8.258 12.447 1.00 0.00 O ATOM 1878 CB GLU B 217 20.348 -6.166 14.083 1.00 0.00 C ATOM 1879 CG GLU B 217 21.218 -7.109 14.922 1.00 0.00 C ATOM 1880 CD GLU B 217 20.385 -8.301 15.380 1.00 0.00 C ATOM 1881 OE1 GLU B 217 19.257 -8.086 15.786 1.00 0.00 O1- ATOM 1882 OE2 GLU B 217 20.890 -9.409 15.316 1.00 0.00 O ATOM 0 H GLU B 217 19.926 -4.028 12.628 1.00 0.00 H new ATOM 0 HA GLU B 217 22.024 -5.472 12.857 1.00 0.00 H new ATOM 0 HB2 GLU B 217 20.182 -5.236 14.627 1.00 0.00 H new ATOM 0 HB3 GLU B 217 19.370 -6.617 13.918 1.00 0.00 H new ATOM 0 HG2 GLU B 217 22.070 -7.452 14.336 1.00 0.00 H new ATOM 0 HG3 GLU B 217 21.618 -6.579 15.786 1.00 0.00 H new ATOM 1889 N THR B 218 21.531 -7.075 10.677 1.00 0.00 N ATOM 1890 CA THR B 218 21.670 -8.292 9.818 1.00 0.00 C ATOM 1891 C THR B 218 21.973 -7.861 8.376 1.00 0.00 C ATOM 1892 O THR B 218 21.414 -6.869 7.911 1.00 0.00 O ATOM 1893 CB THR B 218 20.355 -9.085 9.863 1.00 0.00 C ATOM 1894 OG1 THR B 218 20.424 -10.040 10.912 1.00 0.00 O ATOM 1895 CG2 THR B 218 20.101 -9.795 8.526 1.00 0.00 C ATOM 0 H THR B 218 21.752 -6.195 10.211 1.00 0.00 H new ATOM 0 HA THR B 218 22.484 -8.918 10.182 1.00 0.00 H new ATOM 0 HB THR B 218 19.531 -8.395 10.043 1.00 0.00 H new ATOM 0 HG1 THR B 218 20.851 -9.635 11.696 1.00 0.00 H new ATOM 0 HG21 THR B 218 19.165 -10.350 8.581 1.00 0.00 H new ATOM 0 HG22 THR B 218 20.038 -9.056 7.728 1.00 0.00 H new ATOM 0 HG23 THR B 218 20.920 -10.484 8.319 1.00 0.00 H new ATOM 1903 N ARG B 219 22.772 -8.614 7.646 1.00 0.00 N ATOM 1904 CA ARG B 219 22.997 -8.234 6.205 1.00 0.00 C ATOM 1905 C ARG B 219 23.386 -9.474 5.404 1.00 0.00 C ATOM 1906 O ARG B 219 24.354 -10.163 5.728 1.00 0.00 O ATOM 1907 CB ARG B 219 24.043 -7.074 6.045 1.00 0.00 C ATOM 1908 CG ARG B 219 24.897 -7.170 4.736 1.00 0.00 C ATOM 1909 CD ARG B 219 24.201 -6.489 3.535 1.00 0.00 C ATOM 1910 NE ARG B 219 24.776 -5.140 3.272 1.00 0.00 N ATOM 1911 CZ ARG B 219 25.859 -5.009 2.554 1.00 0.00 C ATOM 1912 NH1 ARG B 219 26.485 -6.060 2.101 1.00 0.00 N ATOM 1913 NH2 ARG B 219 26.311 -3.814 2.284 1.00 0.00 N ATOM 0 H ARG B 219 23.263 -9.447 7.970 1.00 0.00 H new ATOM 0 HA ARG B 219 22.062 -7.840 5.806 1.00 0.00 H new ATOM 0 HB2 ARG B 219 23.517 -6.119 6.056 1.00 0.00 H new ATOM 0 HB3 ARG B 219 24.712 -7.079 6.906 1.00 0.00 H new ATOM 0 HG2 ARG B 219 25.868 -6.705 4.903 1.00 0.00 H new ATOM 0 HG3 ARG B 219 25.082 -8.218 4.501 1.00 0.00 H new ATOM 0 HD2 ARG B 219 24.309 -7.112 2.647 1.00 0.00 H new ATOM 0 HD3 ARG B 219 23.133 -6.399 3.733 1.00 0.00 H new ATOM 0 HE ARG B 219 24.320 -4.312 3.656 1.00 0.00 H new ATOM 0 HH11 ARG B 219 26.129 -6.994 2.307 1.00 0.00 H new ATOM 0 HH12 ARG B 219 27.330 -5.948 1.541 1.00 0.00 H new ATOM 0 HH21 ARG B 219 25.819 -2.992 2.633 1.00 0.00 H new ATOM 0 HH22 ARG B 219 27.156 -3.703 1.724 1.00 0.00 H new ATOM 1927 N TRP B 220 22.640 -9.719 4.356 1.00 0.00 N ATOM 1928 CA TRP B 220 22.928 -10.886 3.477 1.00 0.00 C ATOM 1929 C TRP B 220 23.392 -10.381 2.109 1.00 0.00 C ATOM 1930 O TRP B 220 22.738 -9.536 1.495 1.00 0.00 O ATOM 1931 CB TRP B 220 21.662 -11.723 3.330 1.00 0.00 C ATOM 1932 CG TRP B 220 21.364 -12.360 4.639 1.00 0.00 C ATOM 1933 CD1 TRP B 220 20.443 -11.921 5.523 1.00 0.00 C ATOM 1934 CD2 TRP B 220 21.980 -13.533 5.228 1.00 0.00 C ATOM 1935 NE1 TRP B 220 20.457 -12.748 6.630 1.00 0.00 N ATOM 1936 CE2 TRP B 220 21.392 -13.768 6.496 1.00 0.00 C ATOM 1937 CE3 TRP B 220 22.989 -14.404 4.783 1.00 0.00 C ATOM 1938 CZ2 TRP B 220 21.803 -14.846 7.295 1.00 0.00 C ATOM 1939 CZ3 TRP B 220 23.399 -15.480 5.581 1.00 0.00 C ATOM 1940 CH2 TRP B 220 22.809 -15.702 6.832 1.00 0.00 C ATOM 0 H TRP B 220 21.839 -9.155 4.072 1.00 0.00 H new ATOM 0 HA TRP B 220 23.714 -11.502 3.914 1.00 0.00 H new ATOM 0 HB2 TRP B 220 20.828 -11.096 3.015 1.00 0.00 H new ATOM 0 HB3 TRP B 220 21.798 -12.483 2.561 1.00 0.00 H new ATOM 0 HD1 TRP B 220 19.800 -11.064 5.387 1.00 0.00 H new ATOM 0 HE1 TRP B 220 19.856 -12.625 7.445 1.00 0.00 H new ATOM 0 HE3 TRP B 220 23.451 -14.243 3.820 1.00 0.00 H new ATOM 0 HZ2 TRP B 220 21.347 -15.014 8.259 1.00 0.00 H new ATOM 0 HZ3 TRP B 220 24.175 -16.143 5.229 1.00 0.00 H new ATOM 0 HH2 TRP B 220 23.131 -16.535 7.440 1.00 0.00 H new ATOM 1951 N HIS B 221 24.515 -10.886 1.661 1.00 0.00 N ATOM 1952 CA HIS B 221 25.066 -10.443 0.344 1.00 0.00 C ATOM 1953 C HIS B 221 24.914 -11.568 -0.679 1.00 0.00 C ATOM 1954 O HIS B 221 25.583 -12.597 -0.594 1.00 0.00 O ATOM 1955 CB HIS B 221 26.549 -10.078 0.507 1.00 0.00 C ATOM 1956 CG HIS B 221 27.040 -9.392 -0.741 1.00 0.00 C ATOM 1957 ND1 HIS B 221 27.507 -8.086 -0.727 1.00 0.00 N ATOM 1958 CD2 HIS B 221 27.121 -9.799 -2.053 1.00 0.00 C ATOM 1959 CE1 HIS B 221 27.842 -7.759 -1.990 1.00 0.00 C ATOM 1960 NE2 HIS B 221 27.627 -8.766 -2.833 1.00 0.00 N ATOM 0 H HIS B 221 25.073 -11.585 2.150 1.00 0.00 H new ATOM 0 HA HIS B 221 24.518 -9.568 -0.006 1.00 0.00 H new ATOM 0 HB2 HIS B 221 26.681 -9.424 1.369 1.00 0.00 H new ATOM 0 HB3 HIS B 221 27.137 -10.976 0.696 1.00 0.00 H new ATOM 0 HD1 HIS B 221 27.583 -7.482 0.092 1.00 0.00 H new ATOM 0 HD2 HIS B 221 26.835 -10.773 -2.421 1.00 0.00 H new ATOM 0 HE1 HIS B 221 28.237 -6.797 -2.283 1.00 0.00 H new ATOM 1968 N CYS B 222 24.039 -11.363 -1.628 1.00 0.00 N ATOM 1969 CA CYS B 222 23.796 -12.390 -2.686 1.00 0.00 C ATOM 1970 C CYS B 222 24.980 -12.408 -3.661 1.00 0.00 C ATOM 1971 O CYS B 222 25.389 -11.358 -4.155 1.00 0.00 O ATOM 1972 CB CYS B 222 22.493 -12.039 -3.426 1.00 0.00 C ATOM 1973 SG CYS B 222 22.200 -13.243 -4.736 1.00 0.00 S ATOM 0 H CYS B 222 23.475 -10.518 -1.717 1.00 0.00 H new ATOM 0 HA CYS B 222 23.700 -13.379 -2.239 1.00 0.00 H new ATOM 0 HB2 CYS B 222 21.656 -12.035 -2.728 1.00 0.00 H new ATOM 0 HB3 CYS B 222 22.561 -11.036 -3.848 1.00 0.00 H new ATOM 1978 N THR B 223 25.530 -13.576 -3.937 1.00 0.00 N ATOM 1979 CA THR B 223 26.691 -13.633 -4.874 1.00 0.00 C ATOM 1980 C THR B 223 26.197 -13.572 -6.314 1.00 0.00 C ATOM 1981 O THR B 223 26.535 -12.636 -7.029 1.00 0.00 O ATOM 1982 CB THR B 223 27.482 -14.926 -4.659 1.00 0.00 C ATOM 1983 OG1 THR B 223 27.697 -15.123 -3.269 1.00 0.00 O ATOM 1984 CG2 THR B 223 28.834 -14.824 -5.371 1.00 0.00 C ATOM 0 H THR B 223 25.226 -14.473 -3.558 1.00 0.00 H new ATOM 0 HA THR B 223 27.342 -12.781 -4.677 1.00 0.00 H new ATOM 0 HB THR B 223 26.919 -15.766 -5.065 1.00 0.00 H new ATOM 0 HG1 THR B 223 28.202 -15.951 -3.130 1.00 0.00 H new ATOM 0 HG21 THR B 223 29.396 -15.745 -5.217 1.00 0.00 H new ATOM 0 HG22 THR B 223 28.673 -14.671 -6.438 1.00 0.00 H new ATOM 0 HG23 THR B 223 29.397 -13.983 -4.965 1.00 0.00 H new ATOM 1992 N VAL B 224 25.495 -14.589 -6.753 1.00 0.00 N ATOM 1993 CA VAL B 224 25.037 -14.652 -8.177 1.00 0.00 C ATOM 1994 C VAL B 224 24.780 -13.245 -8.742 1.00 0.00 C ATOM 1995 O VAL B 224 25.221 -12.927 -9.847 1.00 0.00 O ATOM 1996 CB VAL B 224 23.752 -15.522 -8.282 1.00 0.00 C ATOM 1997 CG1 VAL B 224 23.261 -15.639 -9.727 1.00 0.00 C ATOM 1998 CG2 VAL B 224 24.040 -16.921 -7.728 1.00 0.00 C ATOM 0 H VAL B 224 25.217 -15.386 -6.180 1.00 0.00 H new ATOM 0 HA VAL B 224 25.828 -15.110 -8.771 1.00 0.00 H new ATOM 0 HB VAL B 224 22.969 -15.036 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL B 224 22.362 -16.254 -9.757 1.00 0.00 H new ATOM 0 HG12 VAL B 224 23.034 -14.646 -10.116 1.00 0.00 H new ATOM 0 HG13 VAL B 224 24.037 -16.100 -10.339 1.00 0.00 H new ATOM 0 HG21 VAL B 224 23.141 -17.533 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL B 224 24.841 -17.383 -8.305 1.00 0.00 H new ATOM 0 HG23 VAL B 224 24.343 -16.844 -6.684 1.00 0.00 H new ATOM 2008 N CYS B 225 24.054 -12.434 -8.018 1.00 0.00 N ATOM 2009 CA CYS B 225 23.722 -11.060 -8.526 1.00 0.00 C ATOM 2010 C CYS B 225 24.874 -10.084 -8.260 1.00 0.00 C ATOM 2011 O CYS B 225 24.984 -9.051 -8.918 1.00 0.00 O ATOM 2012 CB CYS B 225 22.542 -10.668 -7.879 1.00 0.00 C ATOM 2013 SG CYS B 225 21.156 -11.822 -8.056 1.00 0.00 S ATOM 0 H CYS B 225 23.675 -12.659 -7.098 1.00 0.00 H new ATOM 0 HA CYS B 225 23.577 -11.062 -9.606 1.00 0.00 H new ATOM 0 HB2 CYS B 225 22.753 -10.536 -6.818 1.00 0.00 H new ATOM 0 HB3 CYS B 225 22.238 -9.696 -8.266 1.00 0.00 H new ATOM 2018 N GLU B 226 25.732 -10.446 -7.346 1.00 0.00 N ATOM 2019 CA GLU B 226 26.937 -9.612 -7.014 1.00 0.00 C ATOM 2020 C GLU B 226 26.558 -8.155 -6.719 1.00 0.00 C ATOM 2021 O GLU B 226 25.593 -7.616 -7.253 1.00 0.00 O ATOM 2022 CB GLU B 226 27.934 -9.659 -8.179 1.00 0.00 C ATOM 2023 CG GLU B 226 28.474 -11.082 -8.356 1.00 0.00 C ATOM 2024 CD GLU B 226 29.560 -11.095 -9.428 1.00 0.00 C ATOM 2025 OE1 GLU B 226 29.837 -10.041 -9.977 1.00 0.00 O1- ATOM 2026 OE2 GLU B 226 30.097 -12.160 -9.684 1.00 0.00 O ATOM 0 H GLU B 226 25.652 -11.304 -6.800 1.00 0.00 H new ATOM 0 HA GLU B 226 27.392 -10.027 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU B 226 27.447 -9.330 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU B 226 28.758 -8.970 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU B 226 28.878 -11.447 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU B 226 27.664 -11.755 -8.638 1.00 0.00 H new ATOM 2033 N ASP B 227 27.343 -7.542 -5.872 1.00 0.00 N ATOM 2034 CA ASP B 227 27.097 -6.113 -5.508 1.00 0.00 C ATOM 2035 C ASP B 227 25.638 -5.939 -5.148 1.00 0.00 C ATOM 2036 O ASP B 227 25.081 -4.848 -5.282 1.00 0.00 O ATOM 2037 CB ASP B 227 27.432 -5.190 -6.680 1.00 0.00 C ATOM 2038 CG ASP B 227 28.943 -5.125 -6.873 1.00 0.00 C ATOM 2039 OD1 ASP B 227 29.653 -5.538 -5.971 1.00 0.00 O1- ATOM 2040 OD2 ASP B 227 29.370 -4.658 -7.918 1.00 0.00 O ATOM 0 H ASP B 227 28.147 -7.971 -5.414 1.00 0.00 H new ATOM 0 HA ASP B 227 27.733 -5.853 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP B 227 26.956 -5.555 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP B 227 27.037 -4.191 -6.492 1.00 0.00 H new ATOM 2045 N TYR B 228 25.037 -6.998 -4.694 1.00 0.00 N ATOM 2046 CA TYR B 228 23.602 -6.930 -4.310 1.00 0.00 C ATOM 2047 C TYR B 228 23.524 -7.171 -2.810 1.00 0.00 C ATOM 2048 O TYR B 228 23.983 -8.205 -2.322 1.00 0.00 O ATOM 2049 CB TYR B 228 22.826 -7.999 -5.081 1.00 0.00 C ATOM 2050 CG TYR B 228 21.367 -7.626 -5.156 1.00 0.00 C ATOM 2051 CD1 TYR B 228 20.973 -6.536 -5.939 1.00 0.00 C ATOM 2052 CD2 TYR B 228 20.409 -8.376 -4.463 1.00 0.00 C ATOM 2053 CE1 TYR B 228 19.621 -6.190 -6.029 1.00 0.00 C ATOM 2054 CE2 TYR B 228 19.056 -8.029 -4.553 1.00 0.00 C ATOM 2055 CZ TYR B 228 18.661 -6.937 -5.336 1.00 0.00 C ATOM 2056 OH TYR B 228 17.327 -6.600 -5.426 1.00 0.00 O ATOM 0 H TYR B 228 25.477 -7.910 -4.571 1.00 0.00 H new ATOM 0 HA TYR B 228 23.166 -5.960 -4.550 1.00 0.00 H new ATOM 0 HB2 TYR B 228 23.235 -8.103 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR B 228 22.938 -8.966 -4.590 1.00 0.00 H new ATOM 0 HD1 TYR B 228 21.714 -5.961 -6.475 1.00 0.00 H new ATOM 0 HD2 TYR B 228 20.713 -9.220 -3.861 1.00 0.00 H new ATOM 0 HE1 TYR B 228 19.318 -5.347 -6.633 1.00 0.00 H new ATOM 0 HE2 TYR B 228 18.315 -8.604 -4.018 1.00 0.00 H new ATOM 0 HH TYR B 228 16.796 -7.221 -4.885 1.00 0.00 H new ATOM 2066 N ASP B 229 22.970 -6.223 -2.093 1.00 0.00 N ATOM 2067 CA ASP B 229 22.872 -6.377 -0.597 1.00 0.00 C ATOM 2068 C ASP B 229 21.416 -6.248 -0.157 1.00 0.00 C ATOM 2069 O ASP B 229 20.674 -5.408 -0.662 1.00 0.00 O ATOM 2070 CB ASP B 229 23.785 -5.370 0.143 1.00 0.00 C ATOM 2071 CG ASP B 229 25.237 -5.626 -0.224 1.00 0.00 C ATOM 2072 OD1 ASP B 229 25.642 -6.767 -0.147 1.00 0.00 O ATOM 2073 OD2 ASP B 229 25.917 -4.678 -0.585 1.00 0.00 O1- ATOM 0 H ASP B 229 22.584 -5.357 -2.468 1.00 0.00 H new ATOM 0 HA ASP B 229 23.227 -7.372 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP B 229 23.508 -4.350 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP B 229 23.650 -5.466 1.220 1.00 0.00 H new ATOM 2078 N LEU B 230 21.016 -7.110 0.751 1.00 0.00 N ATOM 2079 CA LEU B 230 19.599 -7.112 1.233 1.00 0.00 C ATOM 2080 C LEU B 230 19.525 -7.119 2.773 1.00 0.00 C ATOM 2081 O LEU B 230 20.369 -7.710 3.445 1.00 0.00 O ATOM 2082 CB LEU B 230 18.897 -8.358 0.671 1.00 0.00 C ATOM 2083 CG LEU B 230 18.847 -8.288 -0.861 1.00 0.00 C ATOM 2084 CD1 LEU B 230 18.293 -9.602 -1.422 1.00 0.00 C ATOM 2085 CD2 LEU B 230 17.940 -7.134 -1.302 1.00 0.00 C ATOM 0 H LEU B 230 21.615 -7.815 1.180 1.00 0.00 H new ATOM 0 HA LEU B 230 19.106 -6.204 0.886 1.00 0.00 H new ATOM 0 HB2 LEU B 230 19.428 -9.257 0.985 1.00 0.00 H new ATOM 0 HB3 LEU B 230 17.886 -8.428 1.073 1.00 0.00 H new ATOM 0 HG LEU B 230 19.856 -8.123 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU B 230 18.259 -9.548 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU B 230 18.938 -10.427 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU B 230 17.287 -9.767 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU B 230 17.910 -7.091 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU B 230 16.933 -7.295 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU B 230 18.331 -6.194 -0.912 1.00 0.00 H new ATOM 2097 N CYS B 231 18.491 -6.490 3.302 1.00 0.00 N ATOM 2098 CA CYS B 231 18.281 -6.454 4.798 1.00 0.00 C ATOM 2099 C CYS B 231 17.195 -7.475 5.171 1.00 0.00 C ATOM 2100 O CYS B 231 16.711 -8.211 4.311 1.00 0.00 O ATOM 2101 CB CYS B 231 17.865 -4.947 5.341 1.00 0.00 C ATOM 2102 SG CYS B 231 16.258 -4.584 4.596 1.00 0.00 S ATOM 0 H CYS B 231 17.780 -5.998 2.760 1.00 0.00 H new ATOM 0 HA CYS B 231 19.224 -6.710 5.281 1.00 0.00 H new ATOM 0 HB2 CYS B 231 17.806 -4.926 6.429 1.00 0.00 H new ATOM 0 HB3 CYS B 231 18.609 -4.206 5.048 1.00 0.00 H new ATOM 2107 N ILE B 232 16.841 -7.522 6.434 1.00 0.00 N ATOM 2108 CA ILE B 232 15.803 -8.496 6.906 1.00 0.00 C ATOM 2109 C ILE B 232 14.424 -8.137 6.316 1.00 0.00 C ATOM 2110 O ILE B 232 13.556 -8.993 6.149 1.00 0.00 O ATOM 2111 CB ILE B 232 15.742 -8.468 8.445 1.00 0.00 C ATOM 2112 CG1 ILE B 232 17.038 -9.040 9.037 1.00 0.00 C ATOM 2113 CG2 ILE B 232 14.537 -9.273 8.954 1.00 0.00 C ATOM 2114 CD1 ILE B 232 17.012 -9.013 10.570 1.00 0.00 C ATOM 0 H ILE B 232 17.229 -6.924 7.163 1.00 0.00 H new ATOM 0 HA ILE B 232 16.072 -9.498 6.570 1.00 0.00 H new ATOM 0 HB ILE B 232 15.630 -7.432 8.764 1.00 0.00 H new ATOM 0 HG12 ILE B 232 17.176 -10.065 8.692 1.00 0.00 H new ATOM 0 HG13 ILE B 232 17.890 -8.464 8.676 1.00 0.00 H new ATOM 0 HG21 ILE B 232 14.512 -9.241 10.043 1.00 0.00 H new ATOM 0 HG22 ILE B 232 13.618 -8.842 8.557 1.00 0.00 H new ATOM 0 HG23 ILE B 232 14.625 -10.308 8.624 1.00 0.00 H new ATOM 0 HD11 ILE B 232 17.944 -9.425 10.957 1.00 0.00 H new ATOM 0 HD12 ILE B 232 16.899 -7.985 10.914 1.00 0.00 H new ATOM 0 HD13 ILE B 232 16.174 -9.610 10.930 1.00 0.00 H new ATOM 2126 N ASN B 233 14.237 -6.881 6.008 1.00 0.00 N ATOM 2127 CA ASN B 233 12.927 -6.423 5.435 1.00 0.00 C ATOM 2128 C ASN B 233 12.799 -6.790 3.954 1.00 0.00 C ATOM 2129 O ASN B 233 11.843 -7.457 3.554 1.00 0.00 O ATOM 2130 CB ASN B 233 12.789 -4.904 5.595 1.00 0.00 C ATOM 2131 CG ASN B 233 11.472 -4.419 4.982 1.00 0.00 C ATOM 2132 OD1 ASN B 233 10.862 -5.139 4.193 1.00 0.00 O ATOM 2133 ND2 ASN B 233 10.999 -3.245 5.296 1.00 0.00 N ATOM 0 H ASN B 233 14.935 -6.146 6.127 1.00 0.00 H new ATOM 0 HA ASN B 233 12.132 -6.930 5.982 1.00 0.00 H new ATOM 0 HB2 ASN B 233 12.825 -4.639 6.652 1.00 0.00 H new ATOM 0 HB3 ASN B 233 13.628 -4.403 5.112 1.00 0.00 H new ATOM 0 HD21 ASN B 233 10.122 -2.923 4.887 1.00 0.00 H new ATOM 0 HD22 ASN B 233 11.506 -2.649 5.950 1.00 0.00 H new ATOM 2140 N CYS B 234 13.706 -6.308 3.152 1.00 0.00 N ATOM 2141 CA CYS B 234 13.615 -6.558 1.679 1.00 0.00 C ATOM 2142 C CYS B 234 13.690 -8.067 1.413 1.00 0.00 C ATOM 2143 O CYS B 234 12.956 -8.601 0.585 1.00 0.00 O ATOM 2144 CB CYS B 234 14.576 -5.881 1.213 1.00 0.00 C ATOM 2145 SG CYS B 234 14.669 -4.083 1.278 1.00 0.00 S ATOM 0 H CYS B 234 14.508 -5.751 3.448 1.00 0.00 H new ATOM 0 HA CYS B 234 12.681 -6.256 1.204 1.00 0.00 H new ATOM 0 HB2 CYS B 234 15.475 -6.250 1.706 1.00 0.00 H new ATOM 0 HB3 CYS B 234 14.656 -6.152 0.160 1.00 0.00 H new ATOM 2150 N TYR B 235 14.566 -8.721 2.114 1.00 0.00 N ATOM 2151 CA TYR B 235 14.735 -10.194 1.949 1.00 0.00 C ATOM 2152 C TYR B 235 13.430 -10.933 2.247 1.00 0.00 C ATOM 2153 O TYR B 235 13.009 -11.797 1.478 1.00 0.00 O ATOM 2154 CB TYR B 235 15.835 -10.700 2.884 1.00 0.00 C ATOM 2155 CG TYR B 235 15.831 -12.209 2.889 1.00 0.00 C ATOM 2156 CD1 TYR B 235 16.352 -12.907 1.791 1.00 0.00 C ATOM 2157 CD2 TYR B 235 15.306 -12.914 3.980 1.00 0.00 C ATOM 2158 CE1 TYR B 235 16.350 -14.303 1.785 1.00 0.00 C ATOM 2159 CE2 TYR B 235 15.303 -14.314 3.972 1.00 0.00 C ATOM 2160 CZ TYR B 235 15.828 -15.008 2.873 1.00 0.00 C ATOM 2161 OH TYR B 235 15.825 -16.387 2.866 1.00 0.00 O ATOM 0 H TYR B 235 15.183 -8.295 2.805 1.00 0.00 H new ATOM 0 HA TYR B 235 15.015 -10.390 0.914 1.00 0.00 H new ATOM 0 HB2 TYR B 235 16.806 -10.329 2.556 1.00 0.00 H new ATOM 0 HB3 TYR B 235 15.673 -10.321 3.893 1.00 0.00 H new ATOM 0 HD1 TYR B 235 16.755 -12.364 0.949 1.00 0.00 H new ATOM 0 HD2 TYR B 235 14.904 -12.378 4.827 1.00 0.00 H new ATOM 0 HE1 TYR B 235 16.752 -14.839 0.938 1.00 0.00 H new ATOM 0 HE2 TYR B 235 14.897 -14.859 4.811 1.00 0.00 H new ATOM 0 HH TYR B 235 15.428 -16.717 3.699 1.00 0.00 H new ATOM 2171 N ASN B 236 12.807 -10.598 3.337 1.00 0.00 N ATOM 2172 CA ASN B 236 11.526 -11.266 3.709 1.00 0.00 C ATOM 2173 C ASN B 236 10.416 -10.896 2.722 1.00 0.00 C ATOM 2174 O ASN B 236 9.602 -11.740 2.345 1.00 0.00 O ATOM 2175 CB ASN B 236 11.114 -10.852 5.128 1.00 0.00 C ATOM 2176 CG ASN B 236 11.954 -11.596 6.166 1.00 0.00 C ATOM 2177 OD1 ASN B 236 12.419 -12.789 5.891 1.00 0.00 O ATOM 2178 ND2 ASN B 236 12.184 -11.083 7.260 1.00 0.00 N ATOM 0 H ASN B 236 13.129 -9.886 3.993 1.00 0.00 H new ATOM 0 HA ASN B 236 11.678 -12.345 3.675 1.00 0.00 H new ATOM 0 HB2 ASN B 236 11.241 -9.776 5.251 1.00 0.00 H new ATOM 0 HB3 ASN B 236 10.057 -11.068 5.284 1.00 0.00 H new ATOM 0 HD21 ASN B 236 12.737 -11.587 7.953 1.00 0.00 H new ATOM 0 HD22 ASN B 236 11.822 -10.154 7.474 1.00 0.00 H new ATOM 2185 N THR B 237 10.372 -9.649 2.342 1.00 0.00 N ATOM 2186 CA THR B 237 9.299 -9.191 1.410 1.00 0.00 C ATOM 2187 C THR B 237 9.580 -9.640 -0.025 1.00 0.00 C ATOM 2188 O THR B 237 8.712 -10.217 -0.682 1.00 0.00 O ATOM 2189 CB THR B 237 9.196 -7.661 1.449 1.00 0.00 C ATOM 2190 OG1 THR B 237 9.117 -7.235 2.800 1.00 0.00 O ATOM 2191 CG2 THR B 237 7.945 -7.202 0.695 1.00 0.00 C ATOM 0 H THR B 237 11.031 -8.927 2.635 1.00 0.00 H new ATOM 0 HA THR B 237 8.359 -9.638 1.735 1.00 0.00 H new ATOM 0 HB THR B 237 10.076 -7.227 0.975 1.00 0.00 H new ATOM 0 HG1 THR B 237 10.012 -7.246 3.199 1.00 0.00 H new ATOM 0 HG21 THR B 237 7.879 -6.114 0.727 1.00 0.00 H new ATOM 0 HG22 THR B 237 8.004 -7.531 -0.342 1.00 0.00 H new ATOM 0 HG23 THR B 237 7.060 -7.633 1.163 1.00 0.00 H new ATOM 2199 N LYS B 238 10.762 -9.366 -0.506 1.00 0.00 N ATOM 2200 CA LYS B 238 11.102 -9.762 -1.918 1.00 0.00 C ATOM 2201 C LYS B 238 11.190 -11.283 -2.041 1.00 0.00 C ATOM 2202 O LYS B 238 10.735 -11.851 -3.033 1.00 0.00 O ATOM 2203 CB LYS B 238 12.433 -9.141 -2.353 1.00 0.00 C ATOM 2204 CG LYS B 238 12.349 -7.612 -2.244 1.00 0.00 C ATOM 2205 CD LYS B 238 11.442 -7.036 -3.341 1.00 0.00 C ATOM 2206 CE LYS B 238 11.437 -5.503 -3.298 1.00 0.00 C ATOM 2207 NZ LYS B 238 10.578 -4.971 -4.387 1.00 0.00 N1+ ATOM 0 H LYS B 238 11.505 -8.890 0.005 1.00 0.00 H new ATOM 0 HA LYS B 238 10.309 -9.392 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS B 238 13.243 -9.516 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS B 238 12.663 -9.430 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS B 238 11.963 -7.334 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS B 238 13.347 -7.182 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS B 238 11.786 -7.375 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS B 238 10.426 -7.411 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS B 238 11.069 -5.159 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS B 238 12.453 -5.124 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 238 10.578 -3.932 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 238 10.947 -5.288 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 238 9.606 -5.321 -4.265 1.00 0.00 H new ATOM 2221 N SER B 239 11.785 -11.928 -1.063 1.00 0.00 N ATOM 2222 CA SER B 239 11.934 -13.413 -1.127 1.00 0.00 C ATOM 2223 C SER B 239 13.099 -13.762 -2.057 1.00 0.00 C ATOM 2224 O SER B 239 12.993 -14.646 -2.907 1.00 0.00 O ATOM 2225 CB SER B 239 10.640 -14.053 -1.642 1.00 0.00 C ATOM 2226 OG SER B 239 9.520 -13.300 -1.189 1.00 0.00 O ATOM 0 H SER B 239 12.172 -11.489 -0.227 1.00 0.00 H new ATOM 0 HA SER B 239 12.137 -13.800 -0.128 1.00 0.00 H new ATOM 0 HB2 SER B 239 10.649 -14.090 -2.731 1.00 0.00 H new ATOM 0 HB3 SER B 239 10.566 -15.082 -1.289 1.00 0.00 H new ATOM 0 HG SER B 239 8.694 -13.710 -1.521 1.00 0.00 H new ATOM 2232 N HIS B 240 14.191 -13.061 -1.900 1.00 0.00 N ATOM 2233 CA HIS B 240 15.388 -13.299 -2.766 1.00 0.00 C ATOM 2234 C HIS B 240 16.308 -14.319 -2.097 1.00 0.00 C ATOM 2235 O HIS B 240 17.052 -13.968 -1.182 1.00 0.00 O ATOM 2236 CB HIS B 240 15.253 -11.804 -4.756 1.00 0.00 C ATOM 2237 CG HIS B 240 16.706 -11.740 -5.134 1.00 0.00 C ATOM 2238 ND1 HIS B 240 17.292 -10.564 -5.594 1.00 0.00 N ATOM 2239 CD2 HIS B 240 17.726 -12.656 -5.033 1.00 0.00 C ATOM 2240 CE1 HIS B 240 18.609 -10.794 -5.730 1.00 0.00 C ATOM 2241 NE2 HIS B 240 18.918 -12.046 -5.392 1.00 0.00 N ATOM 0 H HIS B 240 14.308 -12.326 -1.202 1.00 0.00 H new ATOM 0 HA HIS B 240 16.183 -13.587 -3.454 1.00 0.00 H new ATOM 0 HB2 HIS B 240 14.634 -12.222 -5.550 1.00 0.00 H new ATOM 0 HB3 HIS B 240 14.842 -10.824 -4.514 1.00 0.00 H new ATOM 0 HD1 HIS B 240 16.810 -9.687 -5.792 1.00 0.00 H new ATOM 0 HD2 HIS B 240 17.616 -13.685 -4.724 1.00 0.00 H new ATOM 0 HE1 HIS B 240 19.325 -10.060 -6.069 1.00 0.00 H new ATOM 2249 N ALA B 241 16.259 -15.561 -2.515 1.00 0.00 N ATOM 2250 CA ALA B 241 17.140 -16.571 -1.848 1.00 0.00 C ATOM 2251 C ALA B 241 18.582 -16.435 -2.349 1.00 0.00 C ATOM 2252 O ALA B 241 19.326 -15.606 -1.835 1.00 0.00 O ATOM 2253 CB ALA B 241 16.617 -17.977 -2.156 1.00 0.00 C ATOM 0 H ALA B 241 15.666 -15.912 -3.267 1.00 0.00 H new ATOM 0 HA ALA B 241 17.128 -16.400 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA B 241 17.255 -18.717 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA B 241 15.598 -18.076 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA B 241 16.625 -18.140 -3.234 1.00 0.00 H new ATOM 2259 N HIS B 242 18.975 -17.244 -3.315 1.00 0.00 N ATOM 2260 CA HIS B 242 20.371 -17.209 -3.834 1.00 0.00 C ATOM 2261 C HIS B 242 21.338 -17.410 -2.663 1.00 0.00 C ATOM 2262 O HIS B 242 21.334 -16.654 -1.707 1.00 0.00 O ATOM 2263 CB HIS B 242 20.727 -15.917 -4.610 1.00 0.00 C ATOM 2264 CG HIS B 242 19.829 -15.873 -5.825 1.00 0.00 C ATOM 2265 ND1 HIS B 242 19.870 -14.841 -6.744 1.00 0.00 N ATOM 2266 CD2 HIS B 242 18.836 -16.714 -6.267 1.00 0.00 C ATOM 2267 CE1 HIS B 242 18.935 -15.063 -7.679 1.00 0.00 C ATOM 2268 NE2 HIS B 242 18.272 -16.197 -7.436 1.00 0.00 N ATOM 0 H HIS B 242 18.372 -17.933 -3.765 1.00 0.00 H new ATOM 0 HA HIS B 242 20.461 -18.016 -4.561 1.00 0.00 H new ATOM 0 HB2 HIS B 242 20.575 -15.037 -3.985 1.00 0.00 H new ATOM 0 HB3 HIS B 242 21.776 -15.921 -4.905 1.00 0.00 H new ATOM 0 HD2 HIS B 242 18.538 -17.633 -5.785 1.00 0.00 H new ATOM 0 HE1 HIS B 242 18.743 -14.411 -8.518 1.00 0.00 H new ATOM 0 HE2 HIS B 242 17.514 -16.600 -7.987 1.00 0.00 H new ATOM 2276 N LYS B 243 22.120 -18.458 -2.712 1.00 0.00 N ATOM 2277 CA LYS B 243 23.055 -18.751 -1.577 1.00 0.00 C ATOM 2278 C LYS B 243 23.784 -17.485 -1.129 1.00 0.00 C ATOM 2279 O LYS B 243 24.818 -17.114 -1.685 1.00 0.00 O ATOM 2280 CB LYS B 243 24.082 -19.799 -2.009 1.00 0.00 C ATOM 2281 CG LYS B 243 24.526 -20.633 -0.799 1.00 0.00 C ATOM 2282 CD LYS B 243 25.425 -21.788 -1.265 1.00 0.00 C ATOM 2283 CE LYS B 243 25.814 -22.682 -0.078 1.00 0.00 C ATOM 2284 NZ LYS B 243 26.704 -21.939 0.861 1.00 0.00 N1+ ATOM 0 H LYS B 243 22.154 -19.123 -3.485 1.00 0.00 H new ATOM 0 HA LYS B 243 22.467 -19.130 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS B 243 23.651 -20.449 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS B 243 24.945 -19.309 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS B 243 25.065 -20.004 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS B 243 23.654 -21.027 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS B 243 24.905 -22.380 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS B 243 26.323 -21.390 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS B 243 24.917 -23.013 0.446 1.00 0.00 H new ATOM 0 HE3 LYS B 243 26.321 -23.577 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 243 27.095 -22.598 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 243 27.482 -21.500 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 243 26.157 -21.200 1.347 1.00 0.00 H new ATOM 2298 N MET B 244 23.233 -16.841 -0.137 1.00 0.00 N ATOM 2299 CA MET B 244 23.851 -15.586 0.381 1.00 0.00 C ATOM 2300 C MET B 244 24.848 -15.912 1.481 1.00 0.00 C ATOM 2301 O MET B 244 24.694 -16.896 2.204 1.00 0.00 O ATOM 2302 CB MET B 244 22.788 -14.639 0.928 1.00 0.00 C ATOM 2303 CG MET B 244 21.614 -14.634 -0.030 1.00 0.00 C ATOM 2304 SD MET B 244 20.551 -13.214 0.325 1.00 0.00 S ATOM 2305 CE MET B 244 19.587 -13.971 1.653 1.00 0.00 C ATOM 0 H MET B 244 22.379 -17.130 0.339 1.00 0.00 H new ATOM 0 HA MET B 244 24.364 -15.096 -0.447 1.00 0.00 H new ATOM 0 HB2 MET B 244 22.468 -14.960 1.919 1.00 0.00 H new ATOM 0 HB3 MET B 244 23.195 -13.633 1.035 1.00 0.00 H new ATOM 0 HG2 MET B 244 21.971 -14.586 -1.059 1.00 0.00 H new ATOM 0 HG3 MET B 244 21.047 -15.560 0.068 1.00 0.00 H new ATOM 0 HE1 MET B 244 19.064 -13.194 2.211 1.00 0.00 H new ATOM 0 HE2 MET B 244 18.860 -14.663 1.226 1.00 0.00 H new ATOM 0 HE3 MET B 244 20.254 -14.513 2.323 1.00 0.00 H new ATOM 2315 N VAL B 245 25.835 -15.068 1.612 1.00 0.00 N ATOM 2316 CA VAL B 245 26.861 -15.266 2.676 1.00 0.00 C ATOM 2317 C VAL B 245 26.777 -14.087 3.649 1.00 0.00 C ATOM 2318 O VAL B 245 26.943 -12.933 3.251 1.00 0.00 O ATOM 2319 CB VAL B 245 28.255 -15.353 2.038 1.00 0.00 C ATOM 2320 CG1 VAL B 245 28.507 -16.786 1.562 1.00 0.00 C ATOM 2321 CG2 VAL B 245 28.338 -14.411 0.830 1.00 0.00 C ATOM 0 H VAL B 245 25.976 -14.246 1.025 1.00 0.00 H new ATOM 0 HA VAL B 245 26.680 -16.195 3.217 1.00 0.00 H new ATOM 0 HB VAL B 245 29.002 -15.065 2.778 1.00 0.00 H new ATOM 0 HG11 VAL B 245 29.496 -16.850 1.109 1.00 0.00 H new ATOM 0 HG12 VAL B 245 28.452 -17.467 2.412 1.00 0.00 H new ATOM 0 HG13 VAL B 245 27.752 -17.063 0.826 1.00 0.00 H new ATOM 0 HG21 VAL B 245 29.330 -14.479 0.383 1.00 0.00 H new ATOM 0 HG22 VAL B 245 27.588 -14.697 0.093 1.00 0.00 H new ATOM 0 HG23 VAL B 245 28.155 -13.387 1.154 1.00 0.00 H new ATOM 2331 N LYS B 246 26.521 -14.379 4.903 1.00 0.00 N ATOM 2332 CA LYS B 246 26.416 -13.287 5.919 1.00 0.00 C ATOM 2333 C LYS B 246 27.785 -12.636 6.043 1.00 0.00 C ATOM 2334 O LYS B 246 28.762 -13.306 6.377 1.00 0.00 O ATOM 2335 CB LYS B 246 25.955 -13.899 7.279 1.00 0.00 C ATOM 2336 CG LYS B 246 26.256 -12.964 8.490 1.00 0.00 C ATOM 2337 CD LYS B 246 25.368 -11.700 8.443 1.00 0.00 C ATOM 2338 CE LYS B 246 24.308 -11.713 9.566 1.00 0.00 C ATOM 2339 NZ LYS B 246 23.019 -11.195 9.031 1.00 0.00 N1+ ATOM 0 H LYS B 246 26.381 -15.323 5.264 1.00 0.00 H new ATOM 0 HA LYS B 246 25.685 -12.535 5.623 1.00 0.00 H new ATOM 0 HB2 LYS B 246 24.885 -14.101 7.238 1.00 0.00 H new ATOM 0 HB3 LYS B 246 26.455 -14.856 7.431 1.00 0.00 H new ATOM 0 HG2 LYS B 246 26.082 -13.502 9.422 1.00 0.00 H new ATOM 0 HG3 LYS B 246 27.307 -12.676 8.480 1.00 0.00 H new ATOM 0 HD2 LYS B 246 25.992 -10.812 8.540 1.00 0.00 H new ATOM 0 HD3 LYS B 246 24.873 -11.637 7.474 1.00 0.00 H new ATOM 0 HE2 LYS B 246 24.176 -12.726 9.946 1.00 0.00 H new ATOM 0 HE3 LYS B 246 24.641 -11.099 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 246 22.247 -11.448 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 246 23.071 -10.160 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 246 22.837 -11.614 8.097 1.00 0.00 H new ATOM 2353 N TRP B 247 27.847 -11.345 5.816 1.00 0.00 N ATOM 2354 CA TRP B 247 29.142 -10.625 5.938 1.00 0.00 C ATOM 2355 C TRP B 247 29.032 -9.622 7.073 1.00 0.00 C ATOM 2356 O TRP B 247 28.066 -8.868 7.160 1.00 0.00 O ATOM 2357 CB TRP B 247 29.463 -9.865 4.641 1.00 0.00 C ATOM 2358 CG TRP B 247 29.731 -10.805 3.492 1.00 0.00 C ATOM 2359 CD1 TRP B 247 29.915 -12.150 3.574 1.00 0.00 C ATOM 2360 CD2 TRP B 247 29.861 -10.473 2.078 1.00 0.00 C ATOM 2361 NE1 TRP B 247 30.123 -12.653 2.302 1.00 0.00 N ATOM 2362 CE2 TRP B 247 30.102 -11.664 1.353 1.00 0.00 C ATOM 2363 CE3 TRP B 247 29.787 -9.267 1.360 1.00 0.00 C ATOM 2364 CZ2 TRP B 247 30.262 -11.663 -0.028 1.00 0.00 C ATOM 2365 CZ3 TRP B 247 29.953 -9.261 -0.035 1.00 0.00 C ATOM 2366 CH2 TRP B 247 30.191 -10.456 -0.728 1.00 0.00 C ATOM 0 H TRP B 247 27.052 -10.763 5.551 1.00 0.00 H new ATOM 0 HA TRP B 247 29.934 -11.348 6.130 1.00 0.00 H new ATOM 0 HB2 TRP B 247 28.629 -9.210 4.388 1.00 0.00 H new ATOM 0 HB3 TRP B 247 30.333 -9.227 4.799 1.00 0.00 H new ATOM 0 HD1 TRP B 247 29.901 -12.731 4.484 1.00 0.00 H new ATOM 0 HE1 TRP B 247 30.274 -13.640 2.095 1.00 0.00 H new ATOM 0 HE3 TRP B 247 29.602 -8.341 1.883 1.00 0.00 H new ATOM 0 HZ2 TRP B 247 30.440 -12.588 -0.556 1.00 0.00 H new ATOM 0 HZ3 TRP B 247 29.897 -8.329 -0.577 1.00 0.00 H new ATOM 0 HH2 TRP B 247 30.319 -10.444 -1.800 1.00 0.00 H new ATOM 2377 N GLY B 248 30.012 -9.621 7.923 1.00 0.00 N ATOM 2378 CA GLY B 248 30.007 -8.680 9.073 1.00 0.00 C ATOM 2379 C GLY B 248 31.453 -8.379 9.451 1.00 0.00 C ATOM 2380 O GLY B 248 32.376 -9.035 8.969 1.00 0.00 O ATOM 0 H GLY B 248 30.824 -10.236 7.872 1.00 0.00 H new ATOM 0 HA2 GLY B 248 29.484 -7.761 8.809 1.00 0.00 H new ATOM 0 HA3 GLY B 248 29.476 -9.117 9.919 1.00 0.00 H new ATOM 2384 N LEU B 249 31.646 -7.408 10.298 1.00 0.00 N ATOM 2385 CA LEU B 249 33.039 -7.059 10.707 1.00 0.00 C ATOM 2386 C LEU B 249 33.017 -6.142 11.941 1.00 0.00 C ATOM 2387 O LEU B 249 33.938 -5.344 12.127 1.00 0.00 O ATOM 2388 CB LEU B 249 33.772 -6.356 9.551 1.00 0.00 C ATOM 2389 CG LEU B 249 32.875 -5.299 8.896 1.00 0.00 C ATOM 2390 CD1 LEU B 249 33.608 -3.957 8.879 1.00 0.00 C ATOM 2391 CD2 LEU B 249 32.569 -5.721 7.456 1.00 0.00 C ATOM 0 H LEU B 249 30.909 -6.844 10.723 1.00 0.00 H new ATOM 0 HA LEU B 249 33.568 -7.979 10.957 1.00 0.00 H new ATOM 0 HB2 LEU B 249 34.682 -5.886 9.925 1.00 0.00 H new ATOM 0 HB3 LEU B 249 34.076 -7.092 8.807 1.00 0.00 H new ATOM 0 HG LEU B 249 31.946 -5.205 9.459 1.00 0.00 H new ATOM 0 HD11 LEU B 249 32.974 -3.202 8.414 1.00 0.00 H new ATOM 0 HD12 LEU B 249 33.841 -3.656 9.901 1.00 0.00 H new ATOM 0 HD13 LEU B 249 34.533 -4.055 8.310 1.00 0.00 H new ATOM 0 HD21 LEU B 249 31.931 -4.973 6.985 1.00 0.00 H new ATOM 0 HD22 LEU B 249 33.500 -5.808 6.897 1.00 0.00 H new ATOM 0 HD23 LEU B 249 32.057 -6.683 7.460 1.00 0.00 H new ATOM 2403 N GLY B 250 31.977 -6.235 12.761 1.00 0.00 N ATOM 2404 CA GLY B 250 31.887 -5.349 13.970 1.00 0.00 C ATOM 2405 C GLY B 250 31.940 -6.156 15.268 1.00 0.00 C ATOM 2406 O GLY B 250 32.595 -7.197 15.352 1.00 0.00 O ATOM 0 H GLY B 250 31.198 -6.882 12.640 1.00 0.00 H new ATOM 0 HA2 GLY B 250 32.705 -4.629 13.955 1.00 0.00 H new ATOM 0 HA3 GLY B 250 30.959 -4.778 13.934 1.00 0.00 H new ATOM 2410 N LEU B 251 31.263 -5.650 16.272 1.00 0.00 N ATOM 2411 CA LEU B 251 31.247 -6.326 17.606 1.00 0.00 C ATOM 2412 C LEU B 251 29.875 -6.970 17.815 1.00 0.00 C ATOM 2413 O LEU B 251 28.849 -6.294 17.735 1.00 0.00 O ATOM 2414 CB LEU B 251 31.495 -5.310 18.740 1.00 0.00 C ATOM 2415 CG LEU B 251 31.783 -3.903 18.181 1.00 0.00 C ATOM 2416 CD1 LEU B 251 30.469 -3.237 17.765 1.00 0.00 C ATOM 2417 CD2 LEU B 251 32.445 -3.053 19.272 1.00 0.00 C ATOM 0 H LEU B 251 30.717 -4.790 16.222 1.00 0.00 H new ATOM 0 HA LEU B 251 32.037 -7.077 17.628 1.00 0.00 H new ATOM 0 HB2 LEU B 251 30.624 -5.272 19.394 1.00 0.00 H new ATOM 0 HB3 LEU B 251 32.336 -5.640 19.349 1.00 0.00 H new ATOM 0 HG LEU B 251 32.443 -3.985 17.318 1.00 0.00 H new ATOM 0 HD11 LEU B 251 30.674 -2.242 17.370 1.00 0.00 H new ATOM 0 HD12 LEU B 251 29.983 -3.839 16.997 1.00 0.00 H new ATOM 0 HD13 LEU B 251 29.812 -3.155 18.631 1.00 0.00 H new ATOM 0 HD21 LEU B 251 32.651 -2.056 18.882 1.00 0.00 H new ATOM 0 HD22 LEU B 251 31.776 -2.976 20.129 1.00 0.00 H new ATOM 0 HD23 LEU B 251 33.379 -3.522 19.582 1.00 0.00 H new ATOM 2429 N ASP B 252 29.858 -8.251 18.074 1.00 0.00 N ATOM 2430 CA ASP B 252 28.553 -8.955 18.282 1.00 0.00 C ATOM 2431 C ASP B 252 28.186 -8.947 19.760 1.00 0.00 C ATOM 2432 O ASP B 252 28.817 -9.625 20.572 1.00 0.00 O ATOM 2433 CB ASP B 252 28.639 -10.394 17.772 1.00 0.00 C ATOM 2434 CG ASP B 252 27.254 -11.030 17.787 1.00 0.00 C ATOM 2435 OD1 ASP B 252 26.678 -11.125 18.858 1.00 0.00 O ATOM 2436 OD2 ASP B 252 26.787 -11.411 16.726 1.00 0.00 O1- ATOM 0 H ASP B 252 30.687 -8.841 18.151 1.00 0.00 H new ATOM 0 HA ASP B 252 27.779 -8.431 17.721 1.00 0.00 H new ATOM 0 HB2 ASP B 252 29.045 -10.407 16.760 1.00 0.00 H new ATOM 0 HB3 ASP B 252 29.321 -10.971 18.397 1.00 0.00 H new ATOM 2441 N ASP B 253 27.176 -8.185 20.087 1.00 0.00 N ATOM 2442 CA ASP B 253 26.724 -8.099 21.505 1.00 0.00 C ATOM 2443 C ASP B 253 25.769 -6.921 21.654 1.00 0.00 C ATOM 2444 O ASP B 253 25.482 -6.220 20.687 1.00 0.00 O ATOM 2445 CB ASP B 253 27.926 -7.910 22.430 1.00 0.00 C ATOM 2446 CG ASP B 253 27.511 -7.131 23.671 1.00 0.00 C ATOM 2447 OD1 ASP B 253 26.782 -7.686 24.478 1.00 0.00 O1- ATOM 2448 OD2 ASP B 253 27.927 -5.992 23.796 1.00 0.00 O ATOM 0 H ASP B 253 26.643 -7.616 19.429 1.00 0.00 H new ATOM 0 HA ASP B 253 26.214 -9.023 21.778 1.00 0.00 H new ATOM 0 HB2 ASP B 253 28.330 -8.881 22.718 1.00 0.00 H new ATOM 0 HB3 ASP B 253 28.719 -7.378 21.905 1.00 0.00 H new TER 2453 ASP B 253 HETATM 2454 ZN ZN B 300 16.144 -3.172 2.787 1.00 0.00 ZN HETATM 2455 ZN ZN B 301 20.447 -13.017 -6.219 1.00 0.00 ZN