USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= -0.0234 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= -0.0363 USER MOD Set 2.1: A 25 THR OG1 : rot -91:sc= 0.083 USER MOD Set 2.2: A 67 CYS SG : rot 180:sc= -0.144 USER MOD Set 3.1: A 57 GLN : amide:sc= -0.0407 X(o=-1.8,f=-1.7) USER MOD Set 3.2: A 62 CYS SG : rot 100:sc= -1.75 USER MOD Set 4.1: A 30 CYS SG : rot -154:sc= -1.2 USER MOD Set 4.2: A 79 CYS SG : rot 95:sc= -0.0604 USER MOD Single : A 10 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-4!) USER MOD Single : A 17 HIS : no HD1:sc= -0.544 K(o=-0.54,f=-1.3) USER MOD Single : A 18 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.97) USER MOD Single : A 20 SER OG : rot 160:sc= 0.0825 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.054 (180deg=-0.384) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.057 K(o=-0.057,f=-2.1!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.034 USER MOD Single : A 81 CYS SG : rot 36:sc= 0.248 USER MOD Single : A 86 THR OG1 : rot -110:sc= -1.13 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 1.249 20.325 -0.060 1.00 0.00 N ATOM 67 CA PRO A 8 1.184 19.394 1.070 1.00 0.00 C ATOM 68 C PRO A 8 2.455 18.564 1.211 1.00 0.00 C ATOM 69 O PRO A 8 3.403 18.726 0.442 1.00 0.00 O ATOM 70 CB PRO A 8 -0.005 18.495 0.720 1.00 0.00 C ATOM 71 CG PRO A 8 -0.101 18.555 -0.765 1.00 0.00 C ATOM 72 CD PRO A 8 0.342 19.938 -1.154 1.00 0.00 C ATOM 0 HA PRO A 8 1.078 19.915 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.156 17.474 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.922 18.850 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.532 17.798 -1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.121 18.364 -1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.851 19.941 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.502 20.622 -1.237 1.00 0.00 H new ATOM 80 N ALA A 9 2.469 17.673 2.197 1.00 0.00 N ATOM 81 CA ALA A 9 3.623 16.816 2.437 1.00 0.00 C ATOM 82 C ALA A 9 3.990 16.027 1.185 1.00 0.00 C ATOM 83 O ALA A 9 3.149 15.345 0.599 1.00 0.00 O ATOM 84 CB ALA A 9 3.346 15.870 3.597 1.00 0.00 C ATOM 0 H ALA A 9 1.693 17.526 2.843 1.00 0.00 H new ATOM 0 HA ALA A 9 4.470 17.452 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.216 15.236 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.139 16.449 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.483 15.247 3.360 1.00 0.00 H new ATOM 90 N HIS A 10 5.252 16.125 0.779 1.00 0.00 N ATOM 91 CA HIS A 10 5.731 15.420 -0.405 1.00 0.00 C ATOM 92 C HIS A 10 6.367 14.087 -0.024 1.00 0.00 C ATOM 93 O HIS A 10 7.325 14.042 0.748 1.00 0.00 O ATOM 94 CB HIS A 10 6.741 16.281 -1.164 1.00 0.00 C ATOM 95 CG HIS A 10 8.161 16.048 -0.746 1.00 0.00 C ATOM 96 ND1 HIS A 10 9.115 15.518 -1.588 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.786 16.277 0.433 1.00 0.00 C ATOM 98 CE1 HIS A 10 10.266 15.429 -0.945 1.00 0.00 C ATOM 99 NE2 HIS A 10 10.093 15.884 0.283 1.00 0.00 N ATOM 0 H HIS A 10 5.961 16.685 1.252 1.00 0.00 H new ATOM 0 HA HIS A 10 4.875 15.223 -1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.648 16.080 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.495 17.332 -1.015 1.00 0.00 H new ATOM 0 HD1 HIS A 10 8.957 15.238 -2.556 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.340 16.691 1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.191 15.049 -1.354 1.00 0.00 H new ATOM 108 N PHE A 11 5.826 13.002 -0.568 1.00 0.00 N ATOM 109 CA PHE A 11 6.339 11.667 -0.284 1.00 0.00 C ATOM 110 C PHE A 11 7.863 11.675 -0.204 1.00 0.00 C ATOM 111 O PHE A 11 8.548 11.707 -1.226 1.00 0.00 O ATOM 112 CB PHE A 11 5.879 10.680 -1.359 1.00 0.00 C ATOM 113 CG PHE A 11 4.440 10.272 -1.222 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.011 9.559 -0.115 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.517 10.602 -2.201 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.688 9.182 0.015 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.192 10.228 -2.077 1.00 0.00 C ATOM 118 CZ PHE A 11 1.777 9.516 -0.968 1.00 0.00 C ATOM 0 H PHE A 11 5.032 13.021 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 11 5.943 11.352 0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.029 11.129 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.506 9.790 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.719 9.294 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.836 11.157 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.367 8.627 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.482 10.492 -2.846 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.743 9.221 -0.870 1.00 0.00 H new ATOM 128 N ILE A 12 8.385 11.647 1.018 1.00 0.00 N ATOM 129 CA ILE A 12 9.827 11.651 1.231 1.00 0.00 C ATOM 130 C ILE A 12 10.399 10.240 1.152 1.00 0.00 C ATOM 131 O ILE A 12 11.573 10.051 0.839 1.00 0.00 O ATOM 132 CB ILE A 12 10.192 12.265 2.596 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.643 11.399 3.732 1.00 0.00 C ATOM 134 CG2 ILE A 12 9.657 13.685 2.699 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.171 11.786 5.096 1.00 0.00 C ATOM 0 H ILE A 12 7.832 11.621 1.874 1.00 0.00 H new ATOM 0 HA ILE A 12 10.261 12.261 0.439 1.00 0.00 H new ATOM 0 HB ILE A 12 11.278 12.300 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.555 11.470 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.893 10.356 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.923 14.105 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.092 14.296 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.572 13.674 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.740 11.130 5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.257 11.688 5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.898 12.819 5.312 1.00 0.00 H new ATOM 147 N GLY A 13 9.558 9.250 1.436 1.00 0.00 N ATOM 148 CA GLY A 13 9.997 7.867 1.389 1.00 0.00 C ATOM 149 C GLY A 13 9.155 7.023 0.453 1.00 0.00 C ATOM 150 O GLY A 13 8.424 6.135 0.895 1.00 0.00 O ATOM 0 H GLY A 13 8.581 9.381 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.038 7.830 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.957 7.442 2.392 1.00 0.00 H new ATOM 154 N ARG A 14 9.255 7.300 -0.843 1.00 0.00 N ATOM 155 CA ARG A 14 8.494 6.561 -1.843 1.00 0.00 C ATOM 156 C ARG A 14 8.365 5.092 -1.452 1.00 0.00 C ATOM 157 O ARG A 14 9.296 4.500 -0.903 1.00 0.00 O ATOM 158 CB ARG A 14 9.164 6.678 -3.213 1.00 0.00 C ATOM 159 CG ARG A 14 9.275 8.108 -3.716 1.00 0.00 C ATOM 160 CD ARG A 14 7.942 8.620 -4.240 1.00 0.00 C ATOM 161 NE ARG A 14 8.046 9.979 -4.765 1.00 0.00 N ATOM 162 CZ ARG A 14 8.462 10.263 -5.994 1.00 0.00 C ATOM 163 NH1 ARG A 14 8.811 9.287 -6.821 1.00 0.00 N ATOM 164 NH2 ARG A 14 8.528 11.525 -6.398 1.00 0.00 N ATOM 0 H ARG A 14 9.855 8.031 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 14 7.495 6.994 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.162 6.242 -3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.599 6.090 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.622 8.753 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.022 8.159 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.581 7.955 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.204 8.597 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 14 7.785 10.753 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.760 8.316 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.130 9.508 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.259 12.278 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.848 11.742 -7.342 1.00 0.00 H new ATOM 178 N LEU A 15 7.206 4.508 -1.737 1.00 0.00 N ATOM 179 CA LEU A 15 6.955 3.108 -1.415 1.00 0.00 C ATOM 180 C LEU A 15 8.072 2.217 -1.950 1.00 0.00 C ATOM 181 O LEU A 15 9.068 2.706 -2.483 1.00 0.00 O ATOM 182 CB LEU A 15 5.611 2.664 -1.995 1.00 0.00 C ATOM 183 CG LEU A 15 4.366 3.272 -1.347 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.242 3.395 -2.363 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.922 2.435 -0.156 1.00 0.00 C ATOM 0 H LEU A 15 6.425 4.983 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 15 6.926 3.010 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.598 2.907 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.544 1.579 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 15 4.616 4.271 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.365 3.829 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.562 4.037 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.992 2.407 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.035 2.882 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.689 1.423 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.723 2.399 0.582 1.00 0.00 H new ATOM 197 N ARG A 16 7.897 0.908 -1.805 1.00 0.00 N ATOM 198 CA ARG A 16 8.890 -0.051 -2.275 1.00 0.00 C ATOM 199 C ARG A 16 8.232 -1.378 -2.645 1.00 0.00 C ATOM 200 O ARG A 16 7.581 -2.013 -1.814 1.00 0.00 O ATOM 201 CB ARG A 16 9.956 -0.281 -1.202 1.00 0.00 C ATOM 202 CG ARG A 16 9.450 -1.056 0.004 1.00 0.00 C ATOM 203 CD ARG A 16 10.330 -0.826 1.223 1.00 0.00 C ATOM 204 NE ARG A 16 10.041 -1.777 2.293 1.00 0.00 N ATOM 205 CZ ARG A 16 10.309 -3.075 2.215 1.00 0.00 C ATOM 206 NH1 ARG A 16 10.870 -3.575 1.123 1.00 0.00 N ATOM 207 NH2 ARG A 16 10.017 -3.877 3.231 1.00 0.00 N ATOM 0 H ARG A 16 7.078 0.487 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 16 9.363 0.362 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.794 -0.820 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.338 0.684 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.428 -0.753 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.423 -2.120 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.378 -0.911 0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.182 0.189 1.591 1.00 0.00 H new ATOM 0 HE ARG A 16 9.609 -1.425 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.097 -2.962 0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.075 -4.573 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.586 -3.497 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.224 -4.874 3.169 1.00 0.00 H new ATOM 221 N HIS A 17 8.406 -1.790 -3.896 1.00 0.00 N ATOM 222 CA HIS A 17 7.830 -3.041 -4.376 1.00 0.00 C ATOM 223 C HIS A 17 7.976 -4.143 -3.331 1.00 0.00 C ATOM 224 O HIS A 17 9.088 -4.490 -2.935 1.00 0.00 O ATOM 225 CB HIS A 17 8.500 -3.468 -5.682 1.00 0.00 C ATOM 226 CG HIS A 17 9.990 -3.581 -5.581 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.633 -4.741 -5.202 1.00 0.00 N ATOM 228 CD2 HIS A 17 10.965 -2.672 -5.814 1.00 0.00 C ATOM 229 CE1 HIS A 17 11.938 -4.540 -5.205 1.00 0.00 C ATOM 230 NE2 HIS A 17 12.166 -3.292 -5.573 1.00 0.00 N ATOM 0 H HIS A 17 8.941 -1.276 -4.596 1.00 0.00 H new ATOM 0 HA HIS A 17 6.768 -2.877 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.091 -4.429 -5.993 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.250 -2.748 -6.461 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.825 -1.649 -6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.691 -5.271 -4.950 1.00 0.00 H new ATOM 0 HE2 HIS A 17 13.085 -2.859 -5.663 1.00 0.00 H new ATOM 239 N GLN A 18 6.846 -4.687 -2.890 1.00 0.00 N ATOM 240 CA GLN A 18 6.850 -5.748 -1.890 1.00 0.00 C ATOM 241 C GLN A 18 6.217 -7.020 -2.444 1.00 0.00 C ATOM 242 O GLN A 18 5.228 -6.965 -3.174 1.00 0.00 O ATOM 243 CB GLN A 18 6.101 -5.297 -0.635 1.00 0.00 C ATOM 244 CG GLN A 18 4.608 -5.577 -0.683 1.00 0.00 C ATOM 245 CD GLN A 18 3.913 -5.269 0.628 1.00 0.00 C ATOM 246 OE1 GLN A 18 3.091 -6.050 1.107 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.241 -4.124 1.217 1.00 0.00 N ATOM 0 H GLN A 18 5.917 -4.411 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 18 7.886 -5.963 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.528 -5.799 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.257 -4.228 -0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.156 -4.983 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.447 -6.625 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.928 -3.506 0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.806 -3.863 2.102 1.00 0.00 H new ATOM 256 N GLU A 19 6.795 -8.165 -2.093 1.00 0.00 N ATOM 257 CA GLU A 19 6.288 -9.450 -2.557 1.00 0.00 C ATOM 258 C GLU A 19 5.673 -10.240 -1.406 1.00 0.00 C ATOM 259 O GLU A 19 6.341 -10.537 -0.415 1.00 0.00 O ATOM 260 CB GLU A 19 7.410 -10.263 -3.205 1.00 0.00 C ATOM 261 CG GLU A 19 6.995 -11.672 -3.595 1.00 0.00 C ATOM 262 CD GLU A 19 8.181 -12.592 -3.807 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.803 -12.998 -2.803 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.487 -12.907 -4.976 1.00 0.00 O ATOM 0 H GLU A 19 7.614 -8.228 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 19 5.513 -9.259 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.761 -9.738 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.252 -10.319 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.353 -12.086 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.403 -11.632 -4.509 1.00 0.00 H new ATOM 271 N SER A 20 4.394 -10.577 -1.543 1.00 0.00 N ATOM 272 CA SER A 20 3.687 -11.329 -0.513 1.00 0.00 C ATOM 273 C SER A 20 3.215 -12.676 -1.051 1.00 0.00 C ATOM 274 O SER A 20 3.535 -13.053 -2.179 1.00 0.00 O ATOM 275 CB SER A 20 2.491 -10.526 0.003 1.00 0.00 C ATOM 276 OG SER A 20 2.122 -10.942 1.307 1.00 0.00 O ATOM 0 H SER A 20 3.827 -10.341 -2.357 1.00 0.00 H new ATOM 0 HA SER A 20 4.378 -11.509 0.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.739 -9.465 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.646 -10.650 -0.674 1.00 0.00 H new ATOM 0 HG SER A 20 1.595 -10.237 1.738 1.00 0.00 H new ATOM 282 N ILE A 21 2.453 -13.398 -0.236 1.00 0.00 N ATOM 283 CA ILE A 21 1.937 -14.703 -0.629 1.00 0.00 C ATOM 284 C ILE A 21 0.427 -14.656 -0.838 1.00 0.00 C ATOM 285 O ILE A 21 -0.279 -13.906 -0.164 1.00 0.00 O ATOM 286 CB ILE A 21 2.265 -15.779 0.422 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.691 -16.298 0.225 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.264 -16.921 0.342 1.00 0.00 C ATOM 289 CD1 ILE A 21 3.776 -17.495 -0.696 1.00 0.00 C ATOM 0 H ILE A 21 2.179 -13.101 0.701 1.00 0.00 H new ATOM 0 HA ILE A 21 2.424 -14.965 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 21 2.196 -15.330 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.309 -15.495 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.109 -16.566 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.510 -17.673 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.260 -16.539 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.304 -17.371 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.816 -17.809 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.185 -18.313 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.388 -17.226 -1.679 1.00 0.00 H new ATOM 301 N GLU A 22 -0.061 -15.464 -1.774 1.00 0.00 N ATOM 302 CA GLU A 22 -1.488 -15.515 -2.070 1.00 0.00 C ATOM 303 C GLU A 22 -2.284 -15.945 -0.841 1.00 0.00 C ATOM 304 O GLU A 22 -1.957 -16.938 -0.193 1.00 0.00 O ATOM 305 CB GLU A 22 -1.757 -16.478 -3.229 1.00 0.00 C ATOM 306 CG GLU A 22 -3.153 -17.077 -3.210 1.00 0.00 C ATOM 307 CD GLU A 22 -3.532 -17.715 -4.533 1.00 0.00 C ATOM 308 OE1 GLU A 22 -2.729 -18.515 -5.056 1.00 0.00 O ATOM 309 OE2 GLU A 22 -4.630 -17.413 -5.044 1.00 0.00 O ATOM 0 H GLU A 22 0.510 -16.092 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.809 -14.514 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.610 -15.950 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.024 -17.284 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.213 -17.825 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.875 -16.298 -2.966 1.00 0.00 H new ATOM 316 N GLY A 23 -3.331 -15.188 -0.527 1.00 0.00 N ATOM 317 CA GLY A 23 -4.157 -15.506 0.623 1.00 0.00 C ATOM 318 C GLY A 23 -3.730 -14.754 1.869 1.00 0.00 C ATOM 319 O GLY A 23 -4.564 -14.386 2.696 1.00 0.00 O ATOM 0 H GLY A 23 -3.622 -14.361 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.196 -15.268 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.110 -16.578 0.815 1.00 0.00 H new ATOM 323 N ALA A 24 -2.428 -14.527 2.004 1.00 0.00 N ATOM 324 CA ALA A 24 -1.892 -13.814 3.157 1.00 0.00 C ATOM 325 C ALA A 24 -2.446 -12.395 3.230 1.00 0.00 C ATOM 326 O ALA A 24 -3.309 -12.011 2.441 1.00 0.00 O ATOM 327 CB ALA A 24 -0.372 -13.787 3.102 1.00 0.00 C ATOM 0 H ALA A 24 -1.724 -14.827 1.329 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.202 -14.344 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.014 -13.251 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.010 -14.808 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.050 -13.283 2.191 1.00 0.00 H new ATOM 333 N THR A 25 -1.943 -11.617 4.185 1.00 0.00 N ATOM 334 CA THR A 25 -2.389 -10.241 4.363 1.00 0.00 C ATOM 335 C THR A 25 -1.261 -9.257 4.076 1.00 0.00 C ATOM 336 O THR A 25 -0.390 -9.034 4.916 1.00 0.00 O ATOM 337 CB THR A 25 -2.913 -10.001 5.791 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.792 -11.064 6.176 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.648 -8.672 5.881 1.00 0.00 C ATOM 0 H THR A 25 -1.227 -11.917 4.846 1.00 0.00 H new ATOM 0 HA THR A 25 -3.200 -10.077 3.654 1.00 0.00 H new ATOM 0 HB THR A 25 -2.059 -9.973 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.713 -10.830 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.009 -8.524 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.969 -7.862 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.494 -8.677 5.193 1.00 0.00 H new ATOM 347 N ALA A 26 -1.283 -8.669 2.884 1.00 0.00 N ATOM 348 CA ALA A 26 -0.264 -7.706 2.488 1.00 0.00 C ATOM 349 C ALA A 26 -0.372 -6.424 3.306 1.00 0.00 C ATOM 350 O ALA A 26 -1.467 -6.006 3.684 1.00 0.00 O ATOM 351 CB ALA A 26 -0.378 -7.398 1.002 1.00 0.00 C ATOM 0 H ALA A 26 -1.996 -8.843 2.176 1.00 0.00 H new ATOM 0 HA ALA A 26 0.713 -8.148 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.389 -6.677 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.243 -8.315 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.363 -6.981 0.791 1.00 0.00 H new ATOM 357 N THR A 27 0.771 -5.802 3.578 1.00 0.00 N ATOM 358 CA THR A 27 0.805 -4.568 4.353 1.00 0.00 C ATOM 359 C THR A 27 1.873 -3.617 3.826 1.00 0.00 C ATOM 360 O THR A 27 3.068 -3.838 4.023 1.00 0.00 O ATOM 361 CB THR A 27 1.073 -4.848 5.844 1.00 0.00 C ATOM 362 OG1 THR A 27 0.011 -5.635 6.393 1.00 0.00 O ATOM 363 CG2 THR A 27 1.205 -3.549 6.623 1.00 0.00 C ATOM 0 H THR A 27 1.686 -6.133 3.273 1.00 0.00 H new ATOM 0 HA THR A 27 -0.175 -4.103 4.249 1.00 0.00 H new ATOM 0 HB THR A 27 2.011 -5.398 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.190 -5.810 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.394 -3.772 7.673 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.034 -2.966 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.282 -2.976 6.534 1.00 0.00 H new ATOM 371 N LEU A 28 1.435 -2.557 3.155 1.00 0.00 N ATOM 372 CA LEU A 28 2.355 -1.570 2.600 1.00 0.00 C ATOM 373 C LEU A 28 2.671 -0.484 3.623 1.00 0.00 C ATOM 374 O LEU A 28 1.988 -0.357 4.640 1.00 0.00 O ATOM 375 CB LEU A 28 1.758 -0.940 1.340 1.00 0.00 C ATOM 376 CG LEU A 28 1.979 -1.709 0.037 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.819 -1.481 -0.921 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.294 -1.299 -0.609 1.00 0.00 C ATOM 0 H LEU A 28 0.449 -2.359 2.982 1.00 0.00 H new ATOM 0 HA LEU A 28 3.283 -2.080 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.685 -0.821 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.177 0.060 1.224 1.00 0.00 H new ATOM 0 HG LEU A 28 2.028 -2.773 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.994 -2.036 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.107 -1.825 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.738 -0.418 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.434 -1.857 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.275 -0.231 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.117 -1.515 0.072 1.00 0.00 H new ATOM 390 N ARG A 29 3.710 0.298 3.347 1.00 0.00 N ATOM 391 CA ARG A 29 4.116 1.374 4.243 1.00 0.00 C ATOM 392 C ARG A 29 4.914 2.435 3.491 1.00 0.00 C ATOM 393 O ARG A 29 5.771 2.114 2.667 1.00 0.00 O ATOM 394 CB ARG A 29 4.950 0.816 5.398 1.00 0.00 C ATOM 395 CG ARG A 29 5.158 1.807 6.532 1.00 0.00 C ATOM 396 CD ARG A 29 5.554 1.103 7.821 1.00 0.00 C ATOM 397 NE ARG A 29 7.002 0.957 7.941 1.00 0.00 N ATOM 398 CZ ARG A 29 7.687 -0.045 7.400 1.00 0.00 C ATOM 399 NH1 ARG A 29 7.059 -0.983 6.705 1.00 0.00 N ATOM 400 NH2 ARG A 29 9.004 -0.109 7.554 1.00 0.00 N ATOM 0 H ARG A 29 4.286 0.206 2.510 1.00 0.00 H new ATOM 0 HA ARG A 29 3.216 1.839 4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.461 -0.076 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.922 0.504 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.932 2.522 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.242 2.375 6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.174 1.666 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.086 0.119 7.855 1.00 0.00 H new ATOM 0 HE ARG A 29 7.516 1.663 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.047 -0.937 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.588 -1.751 6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.491 0.611 8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.529 -0.878 7.139 1.00 0.00 H new ATOM 414 N CYS A 30 4.627 3.699 3.781 1.00 0.00 N ATOM 415 CA CYS A 30 5.317 4.808 3.131 1.00 0.00 C ATOM 416 C CYS A 30 5.713 5.873 4.149 1.00 0.00 C ATOM 417 O CYS A 30 5.498 5.707 5.349 1.00 0.00 O ATOM 418 CB CYS A 30 4.429 5.425 2.050 1.00 0.00 C ATOM 419 SG CYS A 30 2.865 6.089 2.669 1.00 0.00 S ATOM 0 H CYS A 30 3.922 3.982 4.462 1.00 0.00 H new ATOM 0 HA CYS A 30 6.223 4.418 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.980 6.225 1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.217 4.669 1.294 1.00 0.00 H new ATOM 0 HG CYS A 30 1.982 6.082 1.714 1.00 0.00 H new ATOM 425 N GLU A 31 6.295 6.963 3.661 1.00 0.00 N ATOM 426 CA GLU A 31 6.725 8.053 4.529 1.00 0.00 C ATOM 427 C GLU A 31 6.390 9.407 3.909 1.00 0.00 C ATOM 428 O GLU A 31 6.464 9.580 2.692 1.00 0.00 O ATOM 429 CB GLU A 31 8.228 7.960 4.797 1.00 0.00 C ATOM 430 CG GLU A 31 8.641 8.513 6.150 1.00 0.00 C ATOM 431 CD GLU A 31 10.037 8.082 6.555 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.846 7.771 5.656 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.322 8.056 7.771 1.00 0.00 O ATOM 0 H GLU A 31 6.480 7.115 2.669 1.00 0.00 H new ATOM 0 HA GLU A 31 6.189 7.963 5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.536 6.917 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.762 8.500 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.594 9.602 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.929 8.182 6.906 1.00 0.00 H new ATOM 440 N LEU A 32 6.021 10.363 4.755 1.00 0.00 N ATOM 441 CA LEU A 32 5.674 11.702 4.291 1.00 0.00 C ATOM 442 C LEU A 32 6.510 12.759 5.006 1.00 0.00 C ATOM 443 O LEU A 32 6.922 12.570 6.151 1.00 0.00 O ATOM 444 CB LEU A 32 4.186 11.972 4.518 1.00 0.00 C ATOM 445 CG LEU A 32 3.218 11.155 3.663 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.780 11.417 4.085 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.409 11.475 2.187 1.00 0.00 C ATOM 0 H LEU A 32 5.954 10.236 5.765 1.00 0.00 H new ATOM 0 HA LEU A 32 5.888 11.757 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.959 11.785 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.997 13.030 4.335 1.00 0.00 H new ATOM 0 HG LEU A 32 3.433 10.097 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.106 10.827 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.651 11.137 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.552 12.476 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.711 10.884 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.222 12.535 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.430 11.235 1.892 1.00 0.00 H new ATOM 459 N SER A 33 6.754 13.874 4.325 1.00 0.00 N ATOM 460 CA SER A 33 7.541 14.961 4.894 1.00 0.00 C ATOM 461 C SER A 33 6.872 15.518 6.147 1.00 0.00 C ATOM 462 O SER A 33 7.520 16.144 6.986 1.00 0.00 O ATOM 463 CB SER A 33 7.729 16.077 3.864 1.00 0.00 C ATOM 464 OG SER A 33 8.299 17.230 4.460 1.00 0.00 O ATOM 0 H SER A 33 6.418 14.048 3.378 1.00 0.00 H new ATOM 0 HA SER A 33 8.517 14.563 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.371 15.726 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.767 16.331 3.419 1.00 0.00 H new ATOM 0 HG SER A 33 8.410 17.928 3.781 1.00 0.00 H new ATOM 470 N LYS A 34 5.569 15.285 6.268 1.00 0.00 N ATOM 471 CA LYS A 34 4.810 15.760 7.418 1.00 0.00 C ATOM 472 C LYS A 34 3.442 15.088 7.482 1.00 0.00 C ATOM 473 O LYS A 34 2.842 14.780 6.453 1.00 0.00 O ATOM 474 CB LYS A 34 4.640 17.280 7.350 1.00 0.00 C ATOM 475 CG LYS A 34 3.819 17.748 6.161 1.00 0.00 C ATOM 476 CD LYS A 34 3.478 19.225 6.266 1.00 0.00 C ATOM 477 CE LYS A 34 3.162 19.822 4.903 1.00 0.00 C ATOM 478 NZ LYS A 34 3.295 21.305 4.903 1.00 0.00 N ATOM 0 H LYS A 34 5.017 14.770 5.583 1.00 0.00 H new ATOM 0 HA LYS A 34 5.365 15.502 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.164 17.625 8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.625 17.746 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.374 17.566 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.900 17.165 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.623 19.356 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.314 19.762 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.833 19.397 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.148 19.548 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.071 21.674 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.637 21.713 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.270 21.566 5.155 1.00 0.00 H new ATOM 492 N ALA A 35 2.954 14.865 8.698 1.00 0.00 N ATOM 493 CA ALA A 35 1.656 14.233 8.896 1.00 0.00 C ATOM 494 C ALA A 35 0.620 14.790 7.925 1.00 0.00 C ATOM 495 O ALA A 35 0.241 15.957 8.011 1.00 0.00 O ATOM 496 CB ALA A 35 1.190 14.421 10.333 1.00 0.00 C ATOM 0 H ALA A 35 3.438 15.113 9.561 1.00 0.00 H new ATOM 0 HA ALA A 35 1.765 13.167 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.219 13.944 10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.913 13.969 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.104 15.485 10.551 1.00 0.00 H new ATOM 502 N ALA A 36 0.167 13.948 7.003 1.00 0.00 N ATOM 503 CA ALA A 36 -0.825 14.356 6.016 1.00 0.00 C ATOM 504 C ALA A 36 -1.645 13.163 5.536 1.00 0.00 C ATOM 505 O ALA A 36 -1.181 12.023 5.530 1.00 0.00 O ATOM 506 CB ALA A 36 -0.148 15.043 4.839 1.00 0.00 C ATOM 0 H ALA A 36 0.471 12.978 6.919 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.505 15.063 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.901 15.342 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.387 15.925 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.556 14.354 4.372 1.00 0.00 H new ATOM 512 N PRO A 37 -2.893 13.430 5.123 1.00 0.00 N ATOM 513 CA PRO A 37 -3.803 12.390 4.633 1.00 0.00 C ATOM 514 C PRO A 37 -3.371 11.831 3.282 1.00 0.00 C ATOM 515 O PRO A 37 -2.869 12.562 2.428 1.00 0.00 O ATOM 516 CB PRO A 37 -5.141 13.123 4.505 1.00 0.00 C ATOM 517 CG PRO A 37 -4.773 14.553 4.313 1.00 0.00 C ATOM 518 CD PRO A 37 -3.511 14.766 5.102 1.00 0.00 C ATOM 0 HA PRO A 37 -3.835 11.528 5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.719 12.746 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.753 12.988 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.616 14.777 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.568 15.211 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.861 15.502 4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.722 15.127 6.109 1.00 0.00 H new ATOM 526 N VAL A 38 -3.569 10.530 3.095 1.00 0.00 N ATOM 527 CA VAL A 38 -3.201 9.873 1.846 1.00 0.00 C ATOM 528 C VAL A 38 -4.360 9.048 1.297 1.00 0.00 C ATOM 529 O VAL A 38 -5.399 8.913 1.942 1.00 0.00 O ATOM 530 CB VAL A 38 -1.977 8.957 2.034 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.769 9.765 2.482 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.288 7.850 3.030 1.00 0.00 C ATOM 0 H VAL A 38 -3.982 9.910 3.792 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.951 10.661 1.135 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.740 8.495 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.086 9.101 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.535 10.517 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.991 10.257 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.412 7.212 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.552 8.290 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.123 7.254 2.662 1.00 0.00 H new ATOM 542 N GLU A 39 -4.173 8.497 0.102 1.00 0.00 N ATOM 543 CA GLU A 39 -5.204 7.685 -0.534 1.00 0.00 C ATOM 544 C GLU A 39 -4.581 6.622 -1.435 1.00 0.00 C ATOM 545 O GLU A 39 -4.085 6.926 -2.520 1.00 0.00 O ATOM 546 CB GLU A 39 -6.149 8.570 -1.350 1.00 0.00 C ATOM 547 CG GLU A 39 -7.300 7.806 -1.985 1.00 0.00 C ATOM 548 CD GLU A 39 -8.505 7.700 -1.071 1.00 0.00 C ATOM 549 OE1 GLU A 39 -8.312 7.485 0.143 1.00 0.00 O ATOM 550 OE2 GLU A 39 -9.641 7.833 -1.571 1.00 0.00 O ATOM 0 H GLU A 39 -3.318 8.598 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.772 7.184 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.553 9.349 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.580 9.070 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.593 8.302 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.963 6.805 -2.253 1.00 0.00 H new ATOM 557 N TRP A 40 -4.609 5.377 -0.975 1.00 0.00 N ATOM 558 CA TRP A 40 -4.047 4.268 -1.738 1.00 0.00 C ATOM 559 C TRP A 40 -4.911 3.949 -2.953 1.00 0.00 C ATOM 560 O TRP A 40 -6.138 4.029 -2.892 1.00 0.00 O ATOM 561 CB TRP A 40 -3.914 3.028 -0.852 1.00 0.00 C ATOM 562 CG TRP A 40 -3.055 3.250 0.355 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.394 3.934 1.488 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.713 2.789 0.549 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.344 3.925 2.374 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.301 3.229 1.823 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.820 2.046 -0.228 1.00 0.00 C ATOM 568 CZ2 TRP A 40 -0.036 2.950 2.333 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.435 1.770 0.280 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.817 2.221 1.551 1.00 0.00 C ATOM 0 H TRP A 40 -5.014 5.110 -0.078 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.058 4.565 -2.087 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.906 2.712 -0.530 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.496 2.212 -1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.347 4.411 1.662 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.342 4.366 3.294 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.106 1.694 -1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.261 3.297 3.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.133 1.197 -0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.805 1.988 1.920 1.00 0.00 H new ATOM 581 N ARG A 41 -4.264 3.588 -4.056 1.00 0.00 N ATOM 582 CA ARG A 41 -4.974 3.258 -5.286 1.00 0.00 C ATOM 583 C ARG A 41 -4.422 1.978 -5.906 1.00 0.00 C ATOM 584 O ARG A 41 -3.247 1.906 -6.265 1.00 0.00 O ATOM 585 CB ARG A 41 -4.867 4.410 -6.287 1.00 0.00 C ATOM 586 CG ARG A 41 -5.733 5.608 -5.932 1.00 0.00 C ATOM 587 CD ARG A 41 -6.165 6.371 -7.174 1.00 0.00 C ATOM 588 NE ARG A 41 -7.222 7.337 -6.884 1.00 0.00 N ATOM 589 CZ ARG A 41 -8.047 7.822 -7.805 1.00 0.00 C ATOM 590 NH1 ARG A 41 -7.939 7.433 -9.067 1.00 0.00 N ATOM 591 NH2 ARG A 41 -8.983 8.698 -7.463 1.00 0.00 N ATOM 0 H ARG A 41 -3.249 3.517 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.023 3.098 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.827 4.730 -6.350 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.149 4.048 -7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.614 5.272 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.181 6.274 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.305 6.891 -7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.515 5.667 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.332 7.656 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.221 6.759 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.574 7.807 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.069 8.999 -6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.616 9.070 -8.171 1.00 0.00 H new ATOM 605 N LYS A 42 -5.279 0.970 -6.030 1.00 0.00 N ATOM 606 CA LYS A 42 -4.879 -0.308 -6.608 1.00 0.00 C ATOM 607 C LYS A 42 -5.153 -0.336 -8.108 1.00 0.00 C ATOM 608 O LYS A 42 -6.184 -0.840 -8.551 1.00 0.00 O ATOM 609 CB LYS A 42 -5.621 -1.456 -5.921 1.00 0.00 C ATOM 610 CG LYS A 42 -5.322 -2.819 -6.521 1.00 0.00 C ATOM 611 CD LYS A 42 -6.271 -3.882 -5.993 1.00 0.00 C ATOM 612 CE LYS A 42 -6.126 -5.188 -6.758 1.00 0.00 C ATOM 613 NZ LYS A 42 -6.517 -5.041 -8.187 1.00 0.00 N ATOM 0 H LYS A 42 -6.255 1.013 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.807 -0.431 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.356 -1.468 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.694 -1.270 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.403 -2.765 -7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.294 -3.101 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.073 -4.055 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.298 -3.525 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.093 -5.531 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.744 -5.954 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.699 -5.980 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.378 -4.461 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.747 -4.579 -8.712 1.00 0.00 H new ATOM 627 N GLY A 43 -4.221 0.206 -8.886 1.00 0.00 N ATOM 628 CA GLY A 43 -4.381 0.231 -10.328 1.00 0.00 C ATOM 629 C GLY A 43 -5.622 0.986 -10.761 1.00 0.00 C ATOM 630 O GLY A 43 -6.727 0.443 -10.737 1.00 0.00 O ATOM 0 H GLY A 43 -3.358 0.628 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.503 0.692 -10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.432 -0.791 -10.702 1.00 0.00 H new ATOM 634 N ARG A 44 -5.441 2.242 -11.157 1.00 0.00 N ATOM 635 CA ARG A 44 -6.556 3.073 -11.594 1.00 0.00 C ATOM 636 C ARG A 44 -7.776 2.859 -10.703 1.00 0.00 C ATOM 637 O ARG A 44 -8.915 2.972 -11.156 1.00 0.00 O ATOM 638 CB ARG A 44 -6.912 2.762 -13.049 1.00 0.00 C ATOM 639 CG ARG A 44 -7.609 1.424 -13.232 1.00 0.00 C ATOM 640 CD ARG A 44 -8.385 1.374 -14.539 1.00 0.00 C ATOM 641 NE ARG A 44 -9.628 2.138 -14.467 1.00 0.00 N ATOM 642 CZ ARG A 44 -10.708 1.725 -13.814 1.00 0.00 C ATOM 643 NH1 ARG A 44 -10.698 0.561 -13.179 1.00 0.00 N ATOM 644 NH2 ARG A 44 -11.801 2.477 -13.795 1.00 0.00 N ATOM 0 H ARG A 44 -4.533 2.706 -11.184 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.251 4.117 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.555 3.553 -13.434 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.001 2.773 -13.647 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.870 0.623 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.288 1.249 -12.398 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.764 1.767 -15.344 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.611 0.337 -14.787 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.669 3.038 -14.945 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.859 -0.019 -13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.529 0.246 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.812 3.373 -14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.630 2.159 -13.293 1.00 0.00 H new ATOM 658 N GLU A 45 -7.529 2.547 -9.435 1.00 0.00 N ATOM 659 CA GLU A 45 -8.608 2.316 -8.481 1.00 0.00 C ATOM 660 C GLU A 45 -8.386 3.118 -7.202 1.00 0.00 C ATOM 661 O GLU A 45 -7.314 3.687 -6.992 1.00 0.00 O ATOM 662 CB GLU A 45 -8.714 0.826 -8.150 1.00 0.00 C ATOM 663 CG GLU A 45 -10.141 0.351 -7.931 1.00 0.00 C ATOM 664 CD GLU A 45 -10.777 -0.189 -9.197 1.00 0.00 C ATOM 665 OE1 GLU A 45 -10.880 0.572 -10.181 1.00 0.00 O ATOM 666 OE2 GLU A 45 -11.173 -1.374 -9.202 1.00 0.00 O ATOM 0 H GLU A 45 -6.592 2.448 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.540 2.647 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.269 0.250 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.130 0.619 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.148 -0.425 -7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.741 1.178 -7.552 1.00 0.00 H new ATOM 673 N SER A 46 -9.406 3.158 -6.351 1.00 0.00 N ATOM 674 CA SER A 46 -9.324 3.893 -5.095 1.00 0.00 C ATOM 675 C SER A 46 -9.588 2.972 -3.908 1.00 0.00 C ATOM 676 O SER A 46 -10.587 2.253 -3.875 1.00 0.00 O ATOM 677 CB SER A 46 -10.327 5.049 -5.090 1.00 0.00 C ATOM 678 OG SER A 46 -10.543 5.531 -3.775 1.00 0.00 O ATOM 0 H SER A 46 -10.299 2.690 -6.509 1.00 0.00 H new ATOM 0 HA SER A 46 -8.315 4.295 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.958 5.858 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.272 4.716 -5.519 1.00 0.00 H new ATOM 0 HG SER A 46 -11.186 6.270 -3.799 1.00 0.00 H new ATOM 684 N LEU A 47 -8.684 2.998 -2.934 1.00 0.00 N ATOM 685 CA LEU A 47 -8.817 2.166 -1.744 1.00 0.00 C ATOM 686 C LEU A 47 -9.362 2.975 -0.571 1.00 0.00 C ATOM 687 O LEU A 47 -9.157 4.186 -0.491 1.00 0.00 O ATOM 688 CB LEU A 47 -7.466 1.554 -1.371 1.00 0.00 C ATOM 689 CG LEU A 47 -7.059 0.302 -2.149 1.00 0.00 C ATOM 690 CD1 LEU A 47 -6.977 0.602 -3.638 1.00 0.00 C ATOM 691 CD2 LEU A 47 -5.730 -0.235 -1.638 1.00 0.00 C ATOM 0 H LEU A 47 -7.851 3.587 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.522 1.366 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.695 2.312 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.482 1.309 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.821 -0.462 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.686 -0.301 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.950 0.939 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.236 1.382 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.456 -1.126 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.959 0.525 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.822 -0.489 -0.582 1.00 0.00 H new ATOM 703 N ARG A 48 -10.056 2.297 0.337 1.00 0.00 N ATOM 704 CA ARG A 48 -10.630 2.953 1.506 1.00 0.00 C ATOM 705 C ARG A 48 -10.702 1.991 2.688 1.00 0.00 C ATOM 706 O ARG A 48 -10.714 0.773 2.510 1.00 0.00 O ATOM 707 CB ARG A 48 -12.026 3.488 1.184 1.00 0.00 C ATOM 708 CG ARG A 48 -12.055 4.439 -0.002 1.00 0.00 C ATOM 709 CD ARG A 48 -11.476 5.798 0.359 1.00 0.00 C ATOM 710 NE ARG A 48 -12.447 6.640 1.053 1.00 0.00 N ATOM 711 CZ ARG A 48 -12.580 6.672 2.374 1.00 0.00 C ATOM 712 NH1 ARG A 48 -11.808 5.914 3.140 1.00 0.00 N ATOM 713 NH2 ARG A 48 -13.486 7.465 2.931 1.00 0.00 N ATOM 0 H ARG A 48 -10.234 1.294 0.286 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.983 3.787 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.690 2.648 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.420 4.002 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.489 4.009 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.082 4.560 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.598 5.662 0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.142 6.302 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.056 7.236 0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.110 5.304 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.912 5.941 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.081 8.050 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.588 7.489 3.946 1.00 0.00 H new ATOM 727 N ASP A 49 -10.750 2.547 3.894 1.00 0.00 N ATOM 728 CA ASP A 49 -10.822 1.738 5.106 1.00 0.00 C ATOM 729 C ASP A 49 -12.217 1.145 5.281 1.00 0.00 C ATOM 730 O ASP A 49 -13.212 1.869 5.302 1.00 0.00 O ATOM 731 CB ASP A 49 -10.455 2.580 6.329 1.00 0.00 C ATOM 732 CG ASP A 49 -11.122 2.083 7.596 1.00 0.00 C ATOM 733 OD1 ASP A 49 -11.103 0.857 7.834 1.00 0.00 O ATOM 734 OD2 ASP A 49 -11.664 2.918 8.350 1.00 0.00 O ATOM 0 H ASP A 49 -10.740 3.554 4.058 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.108 0.920 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.373 2.568 6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.743 3.616 6.153 1.00 0.00 H new ATOM 739 N GLY A 50 -12.281 -0.177 5.406 1.00 0.00 N ATOM 740 CA GLY A 50 -13.558 -0.845 5.577 1.00 0.00 C ATOM 741 C GLY A 50 -13.425 -2.177 6.289 1.00 0.00 C ATOM 742 O GLY A 50 -12.685 -2.295 7.265 1.00 0.00 O ATOM 0 H GLY A 50 -11.471 -0.797 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.229 -0.199 6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.016 -1.003 4.600 1.00 0.00 H new ATOM 746 N ASP A 51 -14.145 -3.181 5.800 1.00 0.00 N ATOM 747 CA ASP A 51 -14.104 -4.511 6.396 1.00 0.00 C ATOM 748 C ASP A 51 -12.705 -4.834 6.910 1.00 0.00 C ATOM 749 O ASP A 51 -12.456 -4.815 8.116 1.00 0.00 O ATOM 750 CB ASP A 51 -14.542 -5.564 5.376 1.00 0.00 C ATOM 751 CG ASP A 51 -16.039 -5.800 5.394 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.795 -4.808 5.462 1.00 0.00 O ATOM 753 OD2 ASP A 51 -16.455 -6.977 5.341 1.00 0.00 O ATOM 0 H ASP A 51 -14.764 -3.099 4.993 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.793 -4.525 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.239 -5.247 4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.027 -6.502 5.583 1.00 0.00 H new ATOM 758 N ARG A 52 -11.795 -5.131 5.988 1.00 0.00 N ATOM 759 CA ARG A 52 -10.421 -5.460 6.349 1.00 0.00 C ATOM 760 C ARG A 52 -9.473 -4.327 5.969 1.00 0.00 C ATOM 761 O ARG A 52 -8.648 -3.898 6.776 1.00 0.00 O ATOM 762 CB ARG A 52 -9.987 -6.755 5.660 1.00 0.00 C ATOM 763 CG ARG A 52 -10.297 -8.007 6.465 1.00 0.00 C ATOM 764 CD ARG A 52 -9.325 -8.180 7.621 1.00 0.00 C ATOM 765 NE ARG A 52 -9.873 -9.031 8.674 1.00 0.00 N ATOM 766 CZ ARG A 52 -10.670 -8.585 9.638 1.00 0.00 C ATOM 767 NH1 ARG A 52 -11.012 -7.305 9.682 1.00 0.00 N ATOM 768 NH2 ARG A 52 -11.129 -9.422 10.561 1.00 0.00 N ATOM 0 H ARG A 52 -11.984 -5.151 4.986 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.379 -5.599 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.482 -6.825 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.915 -6.713 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.315 -7.951 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.250 -8.880 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.396 -8.613 7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.078 -7.203 8.036 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.630 -10.022 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.663 -6.659 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.624 -6.966 10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.869 -10.408 10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.741 -9.079 11.301 1.00 0.00 H new ATOM 782 N HIS A 53 -9.596 -3.847 4.736 1.00 0.00 N ATOM 783 CA HIS A 53 -8.750 -2.763 4.249 1.00 0.00 C ATOM 784 C HIS A 53 -8.439 -1.773 5.366 1.00 0.00 C ATOM 785 O HIS A 53 -9.291 -0.973 5.755 1.00 0.00 O ATOM 786 CB HIS A 53 -9.430 -2.041 3.085 1.00 0.00 C ATOM 787 CG HIS A 53 -9.347 -2.784 1.788 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.239 -3.773 1.429 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.473 -2.677 0.760 1.00 0.00 C ATOM 790 CE1 HIS A 53 -9.915 -4.244 0.238 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.847 -3.595 -0.190 1.00 0.00 N ATOM 0 H HIS A 53 -10.273 -4.191 4.056 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.812 -3.195 3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.478 -1.876 3.333 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.974 -1.059 2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.637 -1.996 0.698 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.435 -5.026 -0.295 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.377 -3.751 -1.082 1.00 0.00 H new ATOM 800 N SER A 54 -7.214 -1.832 5.880 1.00 0.00 N ATOM 801 CA SER A 54 -6.793 -0.943 6.956 1.00 0.00 C ATOM 802 C SER A 54 -5.843 0.130 6.433 1.00 0.00 C ATOM 803 O SER A 54 -4.807 -0.175 5.841 1.00 0.00 O ATOM 804 CB SER A 54 -6.113 -1.743 8.069 1.00 0.00 C ATOM 805 OG SER A 54 -6.304 -1.125 9.330 1.00 0.00 O ATOM 0 H SER A 54 -6.496 -2.486 5.568 1.00 0.00 H new ATOM 0 HA SER A 54 -7.680 -0.454 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.516 -2.756 8.092 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.047 -1.829 7.860 1.00 0.00 H new ATOM 0 HG SER A 54 -5.862 -1.656 10.025 1.00 0.00 H new ATOM 811 N LEU A 55 -6.204 1.389 6.656 1.00 0.00 N ATOM 812 CA LEU A 55 -5.385 2.510 6.209 1.00 0.00 C ATOM 813 C LEU A 55 -4.835 3.292 7.397 1.00 0.00 C ATOM 814 O LEU A 55 -4.549 4.485 7.290 1.00 0.00 O ATOM 815 CB LEU A 55 -6.203 3.437 5.308 1.00 0.00 C ATOM 816 CG LEU A 55 -6.764 2.810 4.032 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.645 2.506 3.049 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.547 1.546 4.359 1.00 0.00 C ATOM 0 H LEU A 55 -7.058 1.659 7.144 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.545 2.110 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.035 3.835 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.577 4.284 5.028 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.443 3.525 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.064 2.060 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.127 3.430 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.940 1.810 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.939 1.113 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.889 0.827 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.374 1.792 5.025 1.00 0.00 H new ATOM 830 N ARG A 56 -4.688 2.612 8.529 1.00 0.00 N ATOM 831 CA ARG A 56 -4.171 3.242 9.738 1.00 0.00 C ATOM 832 C ARG A 56 -2.997 4.161 9.413 1.00 0.00 C ATOM 833 O ARG A 56 -2.245 3.912 8.471 1.00 0.00 O ATOM 834 CB ARG A 56 -3.736 2.179 10.748 1.00 0.00 C ATOM 835 CG ARG A 56 -2.724 1.190 10.193 1.00 0.00 C ATOM 836 CD ARG A 56 -2.655 -0.071 11.041 1.00 0.00 C ATOM 837 NE ARG A 56 -2.039 0.177 12.342 1.00 0.00 N ATOM 838 CZ ARG A 56 -2.229 -0.596 13.405 1.00 0.00 C ATOM 839 NH1 ARG A 56 -3.014 -1.661 13.321 1.00 0.00 N ATOM 840 NH2 ARG A 56 -1.633 -0.305 14.554 1.00 0.00 N ATOM 0 H ARG A 56 -4.920 1.624 8.634 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.970 3.842 10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.308 2.673 11.621 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.615 1.633 11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.993 0.928 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.740 1.658 10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.661 -0.466 11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.086 -0.834 10.510 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.429 0.989 12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.473 -1.888 12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.159 -2.254 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.028 0.513 14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.780 -0.900 15.370 1.00 0.00 H new ATOM 854 N GLN A 57 -2.846 5.221 10.199 1.00 0.00 N ATOM 855 CA GLN A 57 -1.764 6.177 9.994 1.00 0.00 C ATOM 856 C GLN A 57 -1.035 6.464 11.302 1.00 0.00 C ATOM 857 O GLN A 57 -1.640 6.463 12.374 1.00 0.00 O ATOM 858 CB GLN A 57 -2.310 7.479 9.404 1.00 0.00 C ATOM 859 CG GLN A 57 -2.339 7.493 7.884 1.00 0.00 C ATOM 860 CD GLN A 57 -2.635 8.868 7.319 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.790 9.217 7.077 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.589 9.659 7.106 1.00 0.00 N ATOM 0 H GLN A 57 -3.459 5.440 10.984 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.054 5.738 9.293 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.320 7.643 9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.700 8.311 9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.378 7.147 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.094 6.790 7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.648 9.329 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.727 10.596 6.728 1.00 0.00 H new ATOM 871 N ASP A 58 0.267 6.709 11.207 1.00 0.00 N ATOM 872 CA ASP A 58 1.079 6.998 12.383 1.00 0.00 C ATOM 873 C ASP A 58 1.952 8.227 12.152 1.00 0.00 C ATOM 874 O ASP A 58 3.147 8.110 11.882 1.00 0.00 O ATOM 875 CB ASP A 58 1.954 5.794 12.734 1.00 0.00 C ATOM 876 CG ASP A 58 2.387 5.797 14.187 1.00 0.00 C ATOM 877 OD1 ASP A 58 3.055 6.766 14.605 1.00 0.00 O ATOM 878 OD2 ASP A 58 2.058 4.831 14.905 1.00 0.00 O ATOM 0 H ASP A 58 0.783 6.713 10.327 1.00 0.00 H new ATOM 0 HA ASP A 58 0.407 7.204 13.216 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.405 4.876 12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.837 5.791 12.095 1.00 0.00 H new ATOM 883 N GLY A 59 1.347 9.406 12.257 1.00 0.00 N ATOM 884 CA GLY A 59 2.084 10.640 12.056 1.00 0.00 C ATOM 885 C GLY A 59 2.373 10.909 10.592 1.00 0.00 C ATOM 886 O GLY A 59 1.481 11.296 9.837 1.00 0.00 O ATOM 0 H GLY A 59 0.359 9.529 12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.514 11.472 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.024 10.592 12.606 1.00 0.00 H new ATOM 890 N ALA A 60 3.623 10.707 10.191 1.00 0.00 N ATOM 891 CA ALA A 60 4.027 10.930 8.808 1.00 0.00 C ATOM 892 C ALA A 60 4.253 9.609 8.081 1.00 0.00 C ATOM 893 O ALA A 60 4.894 9.567 7.031 1.00 0.00 O ATOM 894 CB ALA A 60 5.286 11.784 8.757 1.00 0.00 C ATOM 0 H ALA A 60 4.374 10.389 10.804 1.00 0.00 H new ATOM 0 HA ALA A 60 3.220 11.460 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.576 11.943 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.092 12.746 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.092 11.275 9.285 1.00 0.00 H new ATOM 900 N VAL A 61 3.721 8.530 8.647 1.00 0.00 N ATOM 901 CA VAL A 61 3.864 7.206 8.053 1.00 0.00 C ATOM 902 C VAL A 61 2.508 6.531 7.882 1.00 0.00 C ATOM 903 O VAL A 61 1.734 6.419 8.833 1.00 0.00 O ATOM 904 CB VAL A 61 4.771 6.301 8.908 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.889 4.920 8.283 1.00 0.00 C ATOM 906 CG2 VAL A 61 6.143 6.935 9.082 1.00 0.00 C ATOM 0 H VAL A 61 3.187 8.547 9.516 1.00 0.00 H new ATOM 0 HA VAL A 61 4.323 7.347 7.074 1.00 0.00 H new ATOM 0 HB VAL A 61 4.319 6.190 9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.534 4.295 8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.900 4.466 8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.318 5.008 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.771 6.282 9.689 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.605 7.077 8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.038 7.900 9.577 1.00 0.00 H new ATOM 916 N CYS A 62 2.226 6.083 6.663 1.00 0.00 N ATOM 917 CA CYS A 62 0.962 5.419 6.367 1.00 0.00 C ATOM 918 C CYS A 62 1.180 3.937 6.081 1.00 0.00 C ATOM 919 O CYS A 62 2.265 3.528 5.670 1.00 0.00 O ATOM 920 CB CYS A 62 0.279 6.086 5.171 1.00 0.00 C ATOM 921 SG CYS A 62 0.164 7.886 5.296 1.00 0.00 S ATOM 0 H CYS A 62 2.855 6.168 5.865 1.00 0.00 H new ATOM 0 HA CYS A 62 0.318 5.511 7.242 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.827 5.830 4.264 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.725 5.675 5.064 1.00 0.00 H new ATOM 0 HG CYS A 62 1.108 8.431 4.588 1.00 0.00 H new ATOM 927 N GLU A 63 0.142 3.137 6.304 1.00 0.00 N ATOM 928 CA GLU A 63 0.222 1.699 6.074 1.00 0.00 C ATOM 929 C GLU A 63 -1.098 1.161 5.531 1.00 0.00 C ATOM 930 O GLU A 63 -2.166 1.436 6.080 1.00 0.00 O ATOM 931 CB GLU A 63 0.589 0.972 7.369 1.00 0.00 C ATOM 932 CG GLU A 63 2.086 0.797 7.566 1.00 0.00 C ATOM 933 CD GLU A 63 2.422 -0.371 8.472 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.172 -1.526 8.068 1.00 0.00 O ATOM 935 OE2 GLU A 63 2.936 -0.131 9.585 1.00 0.00 O ATOM 0 H GLU A 63 -0.764 3.460 6.644 1.00 0.00 H new ATOM 0 HA GLU A 63 1.000 1.518 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.182 1.526 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.114 -0.009 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.561 0.648 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.503 1.711 7.989 1.00 0.00 H new ATOM 942 N LEU A 64 -1.018 0.392 4.451 1.00 0.00 N ATOM 943 CA LEU A 64 -2.206 -0.186 3.833 1.00 0.00 C ATOM 944 C LEU A 64 -2.239 -1.699 4.024 1.00 0.00 C ATOM 945 O LEU A 64 -1.381 -2.417 3.510 1.00 0.00 O ATOM 946 CB LEU A 64 -2.245 0.152 2.342 1.00 0.00 C ATOM 947 CG LEU A 64 -3.227 -0.659 1.495 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.625 -0.592 2.088 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.230 -0.159 0.057 1.00 0.00 C ATOM 0 H LEU A 64 -0.142 0.154 3.985 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.083 0.242 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.491 1.209 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.244 0.015 1.933 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.904 -1.700 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.310 -1.175 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.611 -0.999 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.958 0.445 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.934 -0.747 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.527 0.889 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.230 -0.261 -0.366 1.00 0.00 H new ATOM 961 N GLN A 65 -3.234 -2.176 4.764 1.00 0.00 N ATOM 962 CA GLN A 65 -3.378 -3.604 5.021 1.00 0.00 C ATOM 963 C GLN A 65 -4.451 -4.213 4.124 1.00 0.00 C ATOM 964 O GLN A 65 -5.538 -3.655 3.974 1.00 0.00 O ATOM 965 CB GLN A 65 -3.728 -3.846 6.490 1.00 0.00 C ATOM 966 CG GLN A 65 -3.215 -5.172 7.027 1.00 0.00 C ATOM 967 CD GLN A 65 -3.896 -5.583 8.318 1.00 0.00 C ATOM 968 OE1 GLN A 65 -4.907 -5.001 8.711 1.00 0.00 O ATOM 969 NE2 GLN A 65 -3.344 -6.591 8.984 1.00 0.00 N ATOM 0 H GLN A 65 -3.952 -1.595 5.196 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.426 -4.086 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.315 -3.036 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.811 -3.810 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.369 -5.947 6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.140 -5.100 7.195 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.506 -7.044 8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.759 -6.912 9.859 1.00 0.00 H new ATOM 978 N ILE A 66 -4.137 -5.359 3.529 1.00 0.00 N ATOM 979 CA ILE A 66 -5.074 -6.043 2.647 1.00 0.00 C ATOM 980 C ILE A 66 -5.115 -7.539 2.943 1.00 0.00 C ATOM 981 O ILE A 66 -4.148 -8.258 2.690 1.00 0.00 O ATOM 982 CB ILE A 66 -4.709 -5.834 1.166 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.726 -4.344 0.819 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.668 -6.603 0.270 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.375 -4.054 -0.623 1.00 0.00 C ATOM 0 H ILE A 66 -3.241 -5.833 3.642 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.057 -5.610 2.834 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.702 -6.215 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.716 -3.941 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.024 -3.820 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.397 -6.445 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.610 -7.666 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.685 -6.250 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.407 -2.978 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.373 -4.426 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.092 -4.549 -1.278 1.00 0.00 H new ATOM 997 N CYS A 67 -6.240 -8.000 3.477 1.00 0.00 N ATOM 998 CA CYS A 67 -6.408 -9.411 3.806 1.00 0.00 C ATOM 999 C CYS A 67 -6.929 -10.191 2.604 1.00 0.00 C ATOM 1000 O CYS A 67 -7.421 -9.609 1.638 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.367 -9.570 4.987 1.00 0.00 C ATOM 1002 SG CYS A 67 -7.331 -11.208 5.751 1.00 0.00 S ATOM 0 H CYS A 67 -7.049 -7.418 3.691 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.433 -9.813 4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.123 -8.823 5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.382 -9.361 4.648 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.173 -11.244 6.741 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.817 -11.514 2.670 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.279 -12.353 1.580 1.00 0.00 C ATOM 1010 C GLY A 68 -6.586 -12.036 0.269 1.00 0.00 C ATOM 1011 O GLY A 68 -7.240 -11.838 -0.756 1.00 0.00 O ATOM 0 H GLY A 68 -6.414 -12.020 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.108 -13.399 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.355 -12.226 1.459 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.259 -11.984 0.301 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.476 -11.686 -0.893 1.00 0.00 C ATOM 1017 C LEU A 69 -4.828 -12.643 -2.028 1.00 0.00 C ATOM 1018 O LEU A 69 -5.410 -13.703 -1.801 1.00 0.00 O ATOM 1019 CB LEU A 69 -2.981 -11.775 -0.582 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.340 -10.514 -0.001 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.938 -10.813 0.508 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.306 -9.405 -1.042 1.00 0.00 C ATOM 0 H LEU A 69 -4.703 -12.144 1.141 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.715 -10.671 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.824 -12.594 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.454 -12.036 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.945 -10.177 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.498 -9.904 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.988 -11.574 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.322 -11.175 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.847 -8.515 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.724 -9.733 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.323 -9.171 -1.358 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.470 -12.261 -3.249 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.744 -13.086 -4.419 1.00 0.00 C ATOM 1036 C ALA A 70 -3.801 -12.742 -5.567 1.00 0.00 C ATOM 1037 O ALA A 70 -3.647 -11.576 -5.929 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.193 -12.919 -4.855 1.00 0.00 C ATOM 0 H ALA A 70 -3.989 -11.385 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.576 -14.128 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.384 -13.541 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.854 -13.222 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.380 -11.875 -5.105 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.172 -13.765 -6.137 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.244 -13.571 -7.244 1.00 0.00 C ATOM 1046 C VAL A 71 -2.777 -12.540 -8.233 1.00 0.00 C ATOM 1047 O VAL A 71 -2.010 -11.906 -8.957 1.00 0.00 O ATOM 1048 CB VAL A 71 -1.977 -14.892 -7.991 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.173 -14.636 -9.257 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.259 -15.880 -7.084 1.00 0.00 C ATOM 0 H VAL A 71 -3.289 -14.737 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.310 -13.210 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.934 -15.327 -8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.994 -15.580 -9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.729 -13.966 -9.912 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.219 -14.179 -8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.078 -16.808 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.307 -15.455 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.876 -16.086 -6.210 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.095 -12.377 -8.257 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.731 -11.421 -9.155 1.00 0.00 C ATOM 1062 C ALA A 72 -4.565 -9.994 -8.644 1.00 0.00 C ATOM 1063 O ALA A 72 -4.319 -9.071 -9.420 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.206 -11.754 -9.323 1.00 0.00 C ATOM 0 H ALA A 72 -4.744 -12.895 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.241 -11.492 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.668 -11.032 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.308 -12.756 -9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.701 -11.714 -8.353 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.701 -9.820 -7.334 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.565 -8.504 -6.719 1.00 0.00 C ATOM 1072 C ASP A 73 -3.242 -7.854 -7.112 1.00 0.00 C ATOM 1073 O ASP A 73 -3.146 -6.632 -7.215 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.660 -8.617 -5.197 1.00 0.00 C ATOM 1075 CG ASP A 73 -5.994 -9.174 -4.739 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.627 -9.914 -5.520 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.404 -8.869 -3.599 1.00 0.00 O ATOM 0 H ASP A 73 -4.905 -10.573 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.379 -7.875 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.858 -9.258 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.509 -7.633 -4.753 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.224 -8.681 -7.329 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.907 -8.187 -7.711 1.00 0.00 C ATOM 1084 C ALA A 74 -1.002 -7.234 -8.898 1.00 0.00 C ATOM 1085 O ALA A 74 -1.803 -7.439 -9.809 1.00 0.00 O ATOM 1086 CB ALA A 74 0.018 -9.350 -8.038 1.00 0.00 C ATOM 0 H ALA A 74 -2.286 -9.696 -7.247 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.494 -7.635 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.998 -8.967 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.119 -9.992 -7.163 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.399 -9.926 -8.864 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.178 -6.191 -8.881 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.185 -5.221 -9.961 1.00 0.00 C ATOM 1094 C GLY A 75 0.711 -4.032 -9.679 1.00 0.00 C ATOM 1095 O GLY A 75 1.909 -4.070 -9.957 1.00 0.00 O ATOM 0 H GLY A 75 0.495 -6.000 -8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.139 -5.705 -10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.205 -4.873 -10.125 1.00 0.00 H new ATOM 1099 N GLU A 76 0.129 -2.972 -9.126 1.00 0.00 N ATOM 1100 CA GLU A 76 0.884 -1.766 -8.809 1.00 0.00 C ATOM 1101 C GLU A 76 0.026 -0.776 -8.027 1.00 0.00 C ATOM 1102 O GLU A 76 -0.889 -0.162 -8.576 1.00 0.00 O ATOM 1103 CB GLU A 76 1.400 -1.109 -10.091 1.00 0.00 C ATOM 1104 CG GLU A 76 2.059 0.241 -9.860 1.00 0.00 C ATOM 1105 CD GLU A 76 2.199 1.047 -11.137 1.00 0.00 C ATOM 1106 OE1 GLU A 76 2.700 0.493 -12.137 1.00 0.00 O ATOM 1107 OE2 GLU A 76 1.807 2.233 -11.135 1.00 0.00 O ATOM 0 H GLU A 76 -0.862 -2.924 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 76 1.733 -2.053 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.117 -1.777 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.569 -0.984 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.472 0.809 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.045 0.090 -9.420 1.00 0.00 H new ATOM 1114 N TYR A 77 0.327 -0.628 -6.742 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.419 0.285 -5.882 1.00 0.00 C ATOM 1116 C TYR A 77 0.242 1.659 -5.843 1.00 0.00 C ATOM 1117 O TYR A 77 1.436 1.794 -6.113 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.522 -0.285 -4.467 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.409 -1.505 -4.368 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -1.110 -2.665 -5.073 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.546 -1.499 -3.568 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.919 -3.782 -4.986 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.359 -2.612 -3.474 1.00 0.00 C ATOM 1124 CZ TYR A 77 -3.041 -3.750 -4.185 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.848 -4.862 -4.095 1.00 0.00 O ATOM 0 H TYR A 77 1.082 -1.128 -6.272 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.421 0.397 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.477 -0.543 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.905 0.487 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.231 -2.694 -5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.798 -0.609 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.674 -4.675 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.238 -2.591 -2.847 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.595 -4.676 -3.489 1.00 0.00 H new ATOM 1135 N SER A 78 -0.543 2.677 -5.504 1.00 0.00 N ATOM 1136 CA SER A 78 -0.036 4.042 -5.432 1.00 0.00 C ATOM 1137 C SER A 78 -0.680 4.800 -4.276 1.00 0.00 C ATOM 1138 O SER A 78 -1.879 4.670 -4.025 1.00 0.00 O ATOM 1139 CB SER A 78 -0.299 4.776 -6.748 1.00 0.00 C ATOM 1140 OG SER A 78 -0.331 3.873 -7.839 1.00 0.00 O ATOM 0 H SER A 78 -1.532 2.582 -5.275 1.00 0.00 H new ATOM 0 HA SER A 78 1.039 3.996 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.247 5.310 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.478 5.523 -6.913 1.00 0.00 H new ATOM 0 HG SER A 78 -0.502 4.367 -8.668 1.00 0.00 H new ATOM 1146 N CYS A 79 0.124 5.592 -3.575 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.367 6.371 -2.444 1.00 0.00 C ATOM 1148 C CYS A 79 -0.480 7.848 -2.809 1.00 0.00 C ATOM 1149 O CYS A 79 0.524 8.518 -3.049 1.00 0.00 O ATOM 1150 CB CYS A 79 0.561 6.202 -1.240 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.265 6.373 0.359 1.00 0.00 S ATOM 0 H CYS A 79 1.118 5.712 -3.770 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.359 6.002 -2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.030 5.219 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.360 6.940 -1.305 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.600 5.198 0.802 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.711 8.349 -2.851 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.957 9.746 -3.188 1.00 0.00 C ATOM 1159 C VAL A 80 -2.122 10.593 -1.932 1.00 0.00 C ATOM 1160 O VAL A 80 -2.914 10.264 -1.048 1.00 0.00 O ATOM 1161 CB VAL A 80 -3.213 9.899 -4.066 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -3.197 11.235 -4.793 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -3.315 8.747 -5.054 1.00 0.00 C ATOM 0 H VAL A 80 -2.553 7.808 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.088 10.095 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.091 9.874 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.092 11.325 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.174 12.045 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.313 11.293 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.208 8.871 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.434 8.739 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.376 7.805 -4.509 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.371 11.686 -1.859 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.434 12.583 -0.710 1.00 0.00 C ATOM 1175 C CYS A 81 -2.087 13.908 -1.089 1.00 0.00 C ATOM 1176 O CYS A 81 -2.906 14.443 -0.343 1.00 0.00 O ATOM 1177 CB CYS A 81 -0.031 12.832 -0.154 1.00 0.00 C ATOM 1178 SG CYS A 81 0.002 13.858 1.334 1.00 0.00 S ATOM 0 H CYS A 81 -0.711 11.973 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.042 12.107 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.435 11.872 0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.574 13.309 -0.925 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.036 13.590 2.069 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.718 14.432 -2.253 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.276 15.691 -2.710 1.00 0.00 C ATOM 1186 C GLY A 82 -1.757 16.095 -4.076 1.00 0.00 C ATOM 1187 O GLY A 82 -2.519 16.167 -5.040 1.00 0.00 O ATOM 0 H GLY A 82 -1.042 14.007 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.362 15.611 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.038 16.473 -1.989 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.457 16.359 -4.159 1.00 0.00 N ATOM 1192 CA GLU A 83 0.162 16.760 -5.417 1.00 0.00 C ATOM 1193 C GLU A 83 1.100 15.672 -5.932 1.00 0.00 C ATOM 1194 O GLU A 83 1.258 15.496 -7.140 1.00 0.00 O ATOM 1195 CB GLU A 83 0.932 18.070 -5.238 1.00 0.00 C ATOM 1196 CG GLU A 83 0.036 19.291 -5.121 1.00 0.00 C ATOM 1197 CD GLU A 83 0.779 20.587 -5.380 1.00 0.00 C ATOM 1198 OE1 GLU A 83 1.464 21.074 -4.457 1.00 0.00 O ATOM 1199 OE2 GLU A 83 0.675 21.115 -6.508 1.00 0.00 O ATOM 0 H GLU A 83 0.188 16.302 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.630 16.910 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.552 17.998 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.606 18.204 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.788 19.201 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.402 19.321 -4.123 1.00 0.00 H new ATOM 1206 N GLU A 84 1.721 14.947 -5.007 1.00 0.00 N ATOM 1207 CA GLU A 84 2.644 13.878 -5.368 1.00 0.00 C ATOM 1208 C GLU A 84 2.029 12.510 -5.088 1.00 0.00 C ATOM 1209 O GLU A 84 1.364 12.312 -4.071 1.00 0.00 O ATOM 1210 CB GLU A 84 3.957 14.026 -4.596 1.00 0.00 C ATOM 1211 CG GLU A 84 4.575 15.410 -4.706 1.00 0.00 C ATOM 1212 CD GLU A 84 4.352 16.042 -6.066 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.014 15.615 -7.035 1.00 0.00 O ATOM 1214 OE2 GLU A 84 3.515 16.964 -6.161 1.00 0.00 O ATOM 0 H GLU A 84 1.602 15.080 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 84 2.847 13.954 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.778 13.800 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.670 13.288 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.152 16.055 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.645 15.342 -4.512 1.00 0.00 H new ATOM 1221 N ARG A 85 2.256 11.568 -5.999 1.00 0.00 N ATOM 1222 CA ARG A 85 1.723 10.219 -5.852 1.00 0.00 C ATOM 1223 C ARG A 85 2.774 9.176 -6.220 1.00 0.00 C ATOM 1224 O ARG A 85 3.269 9.148 -7.347 1.00 0.00 O ATOM 1225 CB ARG A 85 0.482 10.040 -6.728 1.00 0.00 C ATOM 1226 CG ARG A 85 -0.049 8.616 -6.748 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.757 8.304 -8.057 1.00 0.00 C ATOM 1228 NE ARG A 85 -1.758 9.313 -8.393 1.00 0.00 N ATOM 1229 CZ ARG A 85 -2.269 9.466 -9.609 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -1.876 8.678 -10.600 1.00 0.00 N ATOM 1231 NH2 ARG A 85 -3.176 10.407 -9.836 1.00 0.00 N ATOM 0 H ARG A 85 2.805 11.715 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 85 1.445 10.077 -4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.303 10.707 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.720 10.344 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.775 7.917 -6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.739 8.472 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.023 8.241 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.236 7.328 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.083 9.935 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.180 7.952 -10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.270 8.797 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.482 11.014 -9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.567 10.523 -10.771 1.00 0.00 H new ATOM 1245 N THR A 86 3.111 8.320 -5.261 1.00 0.00 N ATOM 1246 CA THR A 86 4.104 7.276 -5.483 1.00 0.00 C ATOM 1247 C THR A 86 3.438 5.942 -5.799 1.00 0.00 C ATOM 1248 O THR A 86 2.231 5.782 -5.620 1.00 0.00 O ATOM 1249 CB THR A 86 5.021 7.102 -4.257 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.150 6.292 -4.601 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.264 6.464 -3.102 1.00 0.00 C ATOM 0 H THR A 86 2.711 8.329 -4.323 1.00 0.00 H new ATOM 0 HA THR A 86 4.706 7.589 -6.336 1.00 0.00 H new ATOM 0 HB THR A 86 5.365 8.088 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.077 5.423 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.931 6.351 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.423 7.099 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.895 5.485 -3.406 1.00 0.00 H new ATOM 1259 N SER A 87 4.233 4.986 -6.269 1.00 0.00 N ATOM 1260 CA SER A 87 3.720 3.665 -6.613 1.00 0.00 C ATOM 1261 C SER A 87 4.750 2.584 -6.302 1.00 0.00 C ATOM 1262 O SER A 87 5.955 2.830 -6.339 1.00 0.00 O ATOM 1263 CB SER A 87 3.339 3.612 -8.094 1.00 0.00 C ATOM 1264 OG SER A 87 2.898 4.878 -8.553 1.00 0.00 O ATOM 0 H SER A 87 5.235 5.102 -6.420 1.00 0.00 H new ATOM 0 HA SER A 87 2.831 3.479 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.197 3.287 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.552 2.873 -8.244 1.00 0.00 H new ATOM 0 HG SER A 87 2.662 4.818 -9.502 1.00 0.00 H new ATOM 1270 N ALA A 88 4.265 1.385 -5.995 1.00 0.00 N ATOM 1271 CA ALA A 88 5.143 0.264 -5.679 1.00 0.00 C ATOM 1272 C ALA A 88 4.572 -1.047 -6.210 1.00 0.00 C ATOM 1273 O ALA A 88 3.587 -1.566 -5.683 1.00 0.00 O ATOM 1274 CB ALA A 88 5.365 0.175 -4.176 1.00 0.00 C ATOM 0 H ALA A 88 3.270 1.165 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 88 6.102 0.437 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.022 -0.666 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.824 1.098 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.408 0.030 -3.675 1.00 0.00 H new ATOM 1280 N THR A 89 5.196 -1.578 -7.257 1.00 0.00 N ATOM 1281 CA THR A 89 4.749 -2.827 -7.860 1.00 0.00 C ATOM 1282 C THR A 89 4.661 -3.939 -6.821 1.00 0.00 C ATOM 1283 O THR A 89 5.656 -4.287 -6.183 1.00 0.00 O ATOM 1284 CB THR A 89 5.693 -3.272 -8.993 1.00 0.00 C ATOM 1285 OG1 THR A 89 5.857 -2.210 -9.940 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.148 -4.506 -9.697 1.00 0.00 C ATOM 0 H THR A 89 6.013 -1.162 -7.705 1.00 0.00 H new ATOM 0 HA THR A 89 3.758 -2.642 -8.274 1.00 0.00 H new ATOM 0 HB THR A 89 6.660 -3.520 -8.555 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.460 -2.500 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.831 -4.802 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.052 -5.321 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.170 -4.280 -10.123 1.00 0.00 H new ATOM 1294 N LEU A 90 3.466 -4.494 -6.655 1.00 0.00 N ATOM 1295 CA LEU A 90 3.248 -5.568 -5.693 1.00 0.00 C ATOM 1296 C LEU A 90 3.302 -6.931 -6.377 1.00 0.00 C ATOM 1297 O LEU A 90 2.755 -7.114 -7.465 1.00 0.00 O ATOM 1298 CB LEU A 90 1.899 -5.388 -4.995 1.00 0.00 C ATOM 1299 CG LEU A 90 1.448 -6.542 -4.098 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.368 -6.672 -2.894 1.00 0.00 C ATOM 1301 CD2 LEU A 90 0.008 -6.339 -3.651 1.00 0.00 C ATOM 0 H LEU A 90 2.633 -4.218 -7.174 1.00 0.00 H new ATOM 0 HA LEU A 90 4.044 -5.523 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.943 -4.481 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.137 -5.227 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 90 1.502 -7.466 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.032 -7.498 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.386 -6.864 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.346 -5.747 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.296 -7.170 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.072 -5.406 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.642 -6.296 -4.525 1.00 0.00 H new ATOM 1313 N THR A 91 3.964 -7.886 -5.731 1.00 0.00 N ATOM 1314 CA THR A 91 4.089 -9.232 -6.275 1.00 0.00 C ATOM 1315 C THR A 91 3.469 -10.263 -5.339 1.00 0.00 C ATOM 1316 O THR A 91 3.809 -10.328 -4.158 1.00 0.00 O ATOM 1317 CB THR A 91 5.563 -9.602 -6.525 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.157 -8.665 -7.430 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.678 -11.008 -7.094 1.00 0.00 C ATOM 0 H THR A 91 4.422 -7.752 -4.830 1.00 0.00 H new ATOM 0 HA THR A 91 3.554 -9.240 -7.225 1.00 0.00 H new ATOM 0 HB THR A 91 6.090 -9.569 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.095 -8.906 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.728 -11.248 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.252 -11.722 -6.389 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.137 -11.064 -8.039 1.00 0.00 H new ATOM 1327 N VAL A 92 2.558 -11.069 -5.875 1.00 0.00 N ATOM 1328 CA VAL A 92 1.891 -12.100 -5.087 1.00 0.00 C ATOM 1329 C VAL A 92 2.401 -13.488 -5.456 1.00 0.00 C ATOM 1330 O VAL A 92 2.652 -13.780 -6.625 1.00 0.00 O ATOM 1331 CB VAL A 92 0.364 -12.057 -5.284 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.301 -13.211 -4.550 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.195 -10.722 -4.814 1.00 0.00 C ATOM 0 H VAL A 92 2.265 -11.028 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 92 2.120 -11.897 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 92 0.148 -12.162 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.380 -13.165 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.079 -14.156 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.080 -13.141 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.275 -10.708 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.030 -10.586 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.259 -9.915 -5.389 1.00 0.00 H new ATOM 1343 N LYS A 93 2.552 -14.343 -4.450 1.00 0.00 N ATOM 1344 CA LYS A 93 3.030 -15.703 -4.666 1.00 0.00 C ATOM 1345 C LYS A 93 1.897 -16.711 -4.505 1.00 0.00 C ATOM 1346 O LYS A 93 0.818 -16.373 -4.017 1.00 0.00 O ATOM 1347 CB LYS A 93 4.160 -16.030 -3.687 1.00 0.00 C ATOM 1348 CG LYS A 93 5.396 -15.167 -3.874 1.00 0.00 C ATOM 1349 CD LYS A 93 6.135 -15.521 -5.153 1.00 0.00 C ATOM 1350 CE LYS A 93 5.781 -14.568 -6.284 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.180 -15.110 -7.612 1.00 0.00 N ATOM 0 H LYS A 93 2.350 -14.117 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 93 3.409 -15.770 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.793 -15.908 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.438 -17.078 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.107 -14.116 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.062 -15.294 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.210 -15.491 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.889 -16.542 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.708 -14.379 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.275 -13.610 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.922 -14.431 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.208 -15.267 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.690 -16.011 -7.781 1.00 0.00 H new ATOM 1365 N ALA A 94 2.149 -17.949 -4.917 1.00 0.00 N ATOM 1366 CA ALA A 94 1.150 -19.006 -4.814 1.00 0.00 C ATOM 1367 C ALA A 94 1.345 -19.825 -3.543 1.00 0.00 C ATOM 1368 O ALA A 94 2.352 -20.517 -3.386 1.00 0.00 O ATOM 1369 CB ALA A 94 1.209 -19.908 -6.039 1.00 0.00 C ATOM 0 H ALA A 94 3.036 -18.245 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 94 0.166 -18.539 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.458 -20.693 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.013 -19.319 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.199 -20.359 -6.111 1.00 0.00 H new