USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 985 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 10 TYR OH : rot 15:sc= -0.728 USER MOD Set 1.2: A 52 GLN : amide:sc= -9.9! C(o=-18!,f=-18!) USER MOD Set 1.3: A 95 MET CE :methyl 170:sc= -6.95! (180deg=-7.35!) USER MOD Set 2.1: A 12 SER OG : rot -149:sc= -1.01 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -4.45! C(o=-5.5!,f=-11!) USER MOD Set 3.1: A 7 THR OG1 : rot -10:sc= -0.327 USER MOD Set 3.2: A 85 SER OG : rot 7:sc= 0.249 USER MOD Single : A 6 THR OG1 : rot -14:sc= 0.257 USER MOD Single : A 13 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.025) USER MOD Single : A 15 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.34) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= -0.489 (180deg=-0.49) USER MOD Single : A 34 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.6!) USER MOD Single : A 40 THR OG1 : rot -100:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.91! K(o=-2.9!,f=-0.53) USER MOD Single : A 49 GLN : amide:sc= -1.63! K(o=-1.6!,f=-1.5e-05) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.3) USER MOD Single : A 70 SER OG : rot -38:sc= 0.948 USER MOD Single : A 81 MET CE :methyl -174:sc= -4.33! (180deg=-4.38!) USER MOD Single : A 84 TYR OH : rot 47:sc= 0.00417 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.62) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -34:sc= 0.896 USER MOD Single : A 128 MET CE :methyl -114:sc= -3.98 (180deg=-8.47!) USER MOD Single : A 133 SER OG : rot -77:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 17.064 -2.971 4.200 1.00 0.00 N ATOM 63 CA LEU A 5 15.770 -2.343 3.942 1.00 0.00 C ATOM 64 C LEU A 5 14.720 -2.804 4.943 1.00 0.00 C ATOM 65 O LEU A 5 15.020 -3.510 5.903 1.00 0.00 O ATOM 66 CB LEU A 5 15.303 -2.673 2.523 1.00 0.00 C ATOM 67 CG LEU A 5 15.333 -1.509 1.531 1.00 0.00 C ATOM 68 CD1 LEU A 5 16.751 -0.989 1.355 1.00 0.00 C ATOM 69 CD2 LEU A 5 14.751 -1.941 0.194 1.00 0.00 C ATOM 0 HA LEU A 5 15.894 -1.265 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.927 -3.477 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.284 -3.057 2.575 1.00 0.00 H new ATOM 0 HG LEU A 5 14.722 -0.699 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.750 -0.162 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 5 17.133 -0.643 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.388 -1.789 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.778 -1.103 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.338 -2.767 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.719 -2.263 0.333 1.00 0.00 H new ATOM 81 N THR A 6 13.487 -2.377 4.705 1.00 0.00 N ATOM 82 CA THR A 6 12.359 -2.712 5.560 1.00 0.00 C ATOM 83 C THR A 6 11.058 -2.551 4.778 1.00 0.00 C ATOM 84 O THR A 6 11.023 -1.833 3.786 1.00 0.00 O ATOM 85 CB THR A 6 12.343 -1.803 6.804 1.00 0.00 C ATOM 86 OG1 THR A 6 13.551 -1.979 7.554 1.00 0.00 O ATOM 87 CG2 THR A 6 11.148 -2.100 7.699 1.00 0.00 C ATOM 0 H THR A 6 13.241 -1.787 3.910 1.00 0.00 H new ATOM 0 HA THR A 6 12.456 -3.747 5.887 1.00 0.00 H new ATOM 0 HB THR A 6 12.265 -0.772 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.010 -2.790 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.170 -1.440 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.226 -1.936 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.191 -3.137 8.031 1.00 0.00 H new ATOM 95 N THR A 7 9.996 -3.227 5.201 1.00 0.00 N ATOM 96 CA THR A 7 8.714 -3.114 4.507 1.00 0.00 C ATOM 97 C THR A 7 7.590 -2.718 5.452 1.00 0.00 C ATOM 98 O THR A 7 7.019 -3.562 6.141 1.00 0.00 O ATOM 99 CB THR A 7 8.303 -4.416 3.792 1.00 0.00 C ATOM 100 OG1 THR A 7 9.367 -4.874 2.948 1.00 0.00 O ATOM 101 CG2 THR A 7 7.042 -4.192 2.957 1.00 0.00 C ATOM 0 H THR A 7 9.993 -3.851 6.008 1.00 0.00 H new ATOM 0 HA THR A 7 8.866 -2.334 3.761 1.00 0.00 H new ATOM 0 HB THR A 7 8.095 -5.173 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.056 -4.180 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.766 -5.121 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.227 -3.872 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.233 -3.422 2.209 1.00 0.00 H new ATOM 109 N LEU A 8 7.277 -1.430 5.476 1.00 0.00 N ATOM 110 CA LEU A 8 6.200 -0.927 6.293 1.00 0.00 C ATOM 111 C LEU A 8 4.936 -0.857 5.455 1.00 0.00 C ATOM 112 O LEU A 8 4.953 -0.352 4.339 1.00 0.00 O ATOM 113 CB LEU A 8 6.517 0.459 6.828 1.00 0.00 C ATOM 114 CG LEU A 8 5.281 1.217 7.281 1.00 0.00 C ATOM 115 CD1 LEU A 8 5.445 1.717 8.701 1.00 0.00 C ATOM 116 CD2 LEU A 8 4.976 2.355 6.323 1.00 0.00 C ATOM 0 H LEU A 8 7.762 -0.716 4.932 1.00 0.00 H new ATOM 0 HA LEU A 8 6.064 -1.600 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.209 0.370 7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.026 1.034 6.054 1.00 0.00 H new ATOM 0 HG LEU A 8 4.432 0.533 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.547 2.257 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.601 0.870 9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.305 2.385 8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.088 2.888 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.822 3.042 6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.799 1.953 5.325 1.00 0.00 H new ATOM 128 N ILE A 9 3.846 -1.356 5.991 1.00 0.00 N ATOM 129 CA ILE A 9 2.584 -1.338 5.281 1.00 0.00 C ATOM 130 C ILE A 9 1.509 -0.742 6.189 1.00 0.00 C ATOM 131 O ILE A 9 1.600 -0.868 7.400 1.00 0.00 O ATOM 132 CB ILE A 9 2.228 -2.767 4.811 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.332 -3.289 3.874 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.876 -2.798 4.123 1.00 0.00 C ATOM 135 CD1 ILE A 9 3.065 -4.667 3.302 1.00 0.00 C ATOM 0 H ILE A 9 3.806 -1.780 6.918 1.00 0.00 H new ATOM 0 HA ILE A 9 2.655 -0.714 4.390 1.00 0.00 H new ATOM 0 HB ILE A 9 2.163 -3.417 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.457 -2.585 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.275 -3.312 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.653 -3.816 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.107 -2.459 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.895 -2.141 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.891 -4.958 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.971 -5.387 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.140 -4.649 2.725 1.00 0.00 H new ATOM 147 N TYR A 10 0.519 -0.051 5.622 1.00 0.00 N ATOM 148 CA TYR A 10 -0.525 0.567 6.444 1.00 0.00 C ATOM 149 C TYR A 10 -1.857 0.669 5.714 1.00 0.00 C ATOM 150 O TYR A 10 -1.931 0.518 4.496 1.00 0.00 O ATOM 151 CB TYR A 10 -0.089 1.973 6.891 1.00 0.00 C ATOM 152 CG TYR A 10 0.086 2.956 5.752 1.00 0.00 C ATOM 153 CD1 TYR A 10 -1.004 3.649 5.236 1.00 0.00 C ATOM 154 CD2 TYR A 10 1.338 3.196 5.200 1.00 0.00 C ATOM 155 CE1 TYR A 10 -0.851 4.550 4.202 1.00 0.00 C ATOM 156 CE2 TYR A 10 1.499 4.098 4.166 1.00 0.00 C ATOM 157 CZ TYR A 10 0.402 4.772 3.671 1.00 0.00 C ATOM 158 OH TYR A 10 0.555 5.666 2.638 1.00 0.00 O ATOM 0 H TYR A 10 0.417 0.094 4.617 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.665 -0.079 7.311 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.829 2.367 7.587 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.851 1.894 7.437 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.986 3.479 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.199 2.669 5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.708 5.078 3.811 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.479 4.275 3.747 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.250 6.220 2.563 1.00 0.00 H new ATOM 168 N ARG A 11 -2.909 0.926 6.488 1.00 0.00 N ATOM 169 CA ARG A 11 -4.249 1.088 5.941 1.00 0.00 C ATOM 170 C ARG A 11 -4.958 2.271 6.565 1.00 0.00 C ATOM 171 O ARG A 11 -4.978 2.432 7.785 1.00 0.00 O ATOM 172 CB ARG A 11 -5.102 -0.153 6.156 1.00 0.00 C ATOM 173 CG ARG A 11 -4.998 -1.147 5.030 1.00 0.00 C ATOM 174 CD ARG A 11 -5.936 -2.328 5.226 1.00 0.00 C ATOM 175 NE ARG A 11 -5.928 -2.819 6.603 1.00 0.00 N ATOM 176 CZ ARG A 11 -6.201 -4.076 6.938 1.00 0.00 C ATOM 177 NH1 ARG A 11 -6.479 -4.972 6.000 1.00 0.00 N ATOM 178 NH2 ARG A 11 -6.192 -4.437 8.213 1.00 0.00 N ATOM 0 H ARG A 11 -2.856 1.027 7.502 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.123 1.256 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.802 -0.635 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.144 0.146 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.230 -0.652 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.972 -1.507 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.949 -2.034 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.646 -3.135 4.553 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.700 -2.161 7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.484 -4.697 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.688 -5.936 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.976 -3.751 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.401 -5.401 8.472 1.00 0.00 H new ATOM 192 N SER A 12 -5.554 3.081 5.713 1.00 0.00 N ATOM 193 CA SER A 12 -6.291 4.249 6.152 1.00 0.00 C ATOM 194 C SER A 12 -7.667 4.240 5.517 1.00 0.00 C ATOM 195 O SER A 12 -8.156 3.194 5.089 1.00 0.00 O ATOM 196 CB SER A 12 -5.563 5.534 5.756 1.00 0.00 C ATOM 197 OG SER A 12 -5.476 5.654 4.346 1.00 0.00 O ATOM 0 H SER A 12 -5.541 2.949 4.702 1.00 0.00 H new ATOM 0 HA SER A 12 -6.376 4.217 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.089 6.396 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.562 5.537 6.187 1.00 0.00 H new ATOM 0 HG SER A 12 -4.657 6.137 4.109 1.00 0.00 H new ATOM 203 N GLN A 13 -8.287 5.406 5.447 1.00 0.00 N ATOM 204 CA GLN A 13 -9.595 5.518 4.830 1.00 0.00 C ATOM 205 C GLN A 13 -9.614 6.651 3.816 1.00 0.00 C ATOM 206 O GLN A 13 -8.684 6.821 3.030 1.00 0.00 O ATOM 207 CB GLN A 13 -10.691 5.731 5.873 1.00 0.00 C ATOM 208 CG GLN A 13 -10.666 4.734 7.006 1.00 0.00 C ATOM 209 CD GLN A 13 -12.054 4.339 7.467 1.00 0.00 C ATOM 210 OE1 GLN A 13 -12.282 3.205 7.892 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.988 5.278 7.392 1.00 0.00 N ATOM 0 H GLN A 13 -7.908 6.282 5.807 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.795 4.578 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.595 6.736 6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.662 5.680 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.126 3.842 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.115 5.158 7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.753 6.203 7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.941 5.075 7.693 1.00 0.00 H new ATOM 220 N VAL A 14 -10.693 7.407 3.842 1.00 0.00 N ATOM 221 CA VAL A 14 -10.885 8.529 2.941 1.00 0.00 C ATOM 222 C VAL A 14 -12.078 9.350 3.406 1.00 0.00 C ATOM 223 O VAL A 14 -12.680 9.045 4.431 1.00 0.00 O ATOM 224 CB VAL A 14 -11.129 8.037 1.502 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.566 7.577 1.355 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.788 9.117 0.483 1.00 0.00 C ATOM 0 H VAL A 14 -11.466 7.261 4.491 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.984 9.143 2.950 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.469 7.192 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.734 7.230 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.760 6.762 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.238 8.408 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.971 8.739 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.411 9.994 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.738 9.392 0.582 1.00 0.00 H new ATOM 236 N HIS A 15 -12.422 10.378 2.651 1.00 0.00 N ATOM 237 CA HIS A 15 -13.543 11.228 2.998 1.00 0.00 C ATOM 238 C HIS A 15 -14.811 10.792 2.268 1.00 0.00 C ATOM 239 O HIS A 15 -15.031 11.179 1.120 1.00 0.00 O ATOM 240 CB HIS A 15 -13.226 12.671 2.655 1.00 0.00 C ATOM 241 CG HIS A 15 -12.678 13.455 3.804 1.00 0.00 C ATOM 242 ND1 HIS A 15 -13.472 14.115 4.718 1.00 0.00 N ATOM 243 CD2 HIS A 15 -11.402 13.685 4.181 1.00 0.00 C ATOM 244 CE1 HIS A 15 -12.704 14.718 5.610 1.00 0.00 C ATOM 245 NE2 HIS A 15 -11.443 14.471 5.306 1.00 0.00 N ATOM 0 H HIS A 15 -11.939 10.643 1.793 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.716 11.138 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.506 12.691 1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.132 13.157 2.294 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.513 13.318 3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.049 15.311 6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.631 14.809 5.823 1.00 0.00 H new ATOM 254 N PRO A 16 -15.664 9.977 2.918 1.00 0.00 N ATOM 255 CA PRO A 16 -16.917 9.504 2.318 1.00 0.00 C ATOM 256 C PRO A 16 -17.781 10.648 1.817 1.00 0.00 C ATOM 257 O PRO A 16 -18.668 10.462 0.983 1.00 0.00 O ATOM 258 CB PRO A 16 -17.617 8.770 3.463 1.00 0.00 C ATOM 259 CG PRO A 16 -16.905 9.200 4.701 1.00 0.00 C ATOM 260 CD PRO A 16 -15.490 9.451 4.279 1.00 0.00 C ATOM 0 HA PRO A 16 -16.735 8.876 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.675 9.029 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.559 7.690 3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.355 10.100 5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.955 8.430 5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.991 10.167 4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.893 8.539 4.290 1.00 0.00 H new ATOM 268 N ASP A 17 -17.509 11.829 2.340 1.00 0.00 N ATOM 269 CA ASP A 17 -18.242 13.033 1.966 1.00 0.00 C ATOM 270 C ASP A 17 -17.610 13.696 0.744 1.00 0.00 C ATOM 271 O ASP A 17 -18.303 14.053 -0.210 1.00 0.00 O ATOM 272 CB ASP A 17 -18.273 14.013 3.140 1.00 0.00 C ATOM 273 CG ASP A 17 -19.160 15.212 2.871 1.00 0.00 C ATOM 274 OD1 ASP A 17 -18.663 16.199 2.286 1.00 0.00 O ATOM 275 OD2 ASP A 17 -20.349 15.168 3.248 1.00 0.00 O ATOM 0 H ASP A 17 -16.778 11.985 3.034 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.263 12.749 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.627 13.496 4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.260 14.355 3.351 1.00 0.00 H new ATOM 280 N ARG A 18 -16.290 13.858 0.782 1.00 0.00 N ATOM 281 CA ARG A 18 -15.554 14.472 -0.321 1.00 0.00 C ATOM 282 C ARG A 18 -15.695 13.640 -1.601 1.00 0.00 C ATOM 283 O ARG A 18 -16.219 12.526 -1.560 1.00 0.00 O ATOM 284 CB ARG A 18 -14.077 14.623 0.058 1.00 0.00 C ATOM 285 CG ARG A 18 -13.827 15.673 1.124 1.00 0.00 C ATOM 286 CD ARG A 18 -12.341 15.862 1.375 1.00 0.00 C ATOM 287 NE ARG A 18 -12.075 16.945 2.319 1.00 0.00 N ATOM 288 CZ ARG A 18 -10.901 17.561 2.424 1.00 0.00 C ATOM 289 NH1 ARG A 18 -9.889 17.208 1.641 1.00 0.00 N ATOM 290 NH2 ARG A 18 -10.738 18.532 3.311 1.00 0.00 N ATOM 0 H ARG A 18 -15.706 13.572 1.568 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.975 15.459 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.701 13.663 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.506 14.880 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.269 16.620 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.320 15.378 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.918 14.934 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.839 16.073 0.431 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.833 17.246 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.010 16.462 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.990 17.683 1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.513 18.807 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.837 19.004 3.391 1.00 0.00 H new ATOM 304 N PRO A 19 -15.231 14.161 -2.759 1.00 0.00 N ATOM 305 CA PRO A 19 -15.322 13.452 -4.031 1.00 0.00 C ATOM 306 C PRO A 19 -14.202 12.420 -4.196 1.00 0.00 C ATOM 307 O PRO A 19 -13.331 12.306 -3.334 1.00 0.00 O ATOM 308 CB PRO A 19 -15.205 14.566 -5.083 1.00 0.00 C ATOM 309 CG PRO A 19 -14.937 15.840 -4.337 1.00 0.00 C ATOM 310 CD PRO A 19 -14.570 15.459 -2.931 1.00 0.00 C ATOM 0 HA PRO A 19 -16.247 12.881 -4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.399 14.352 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.123 14.645 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.129 16.400 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.817 16.483 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.490 15.383 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.926 16.193 -2.208 1.00 0.00 H new ATOM 318 N PRO A 20 -14.207 11.654 -5.307 1.00 0.00 N ATOM 319 CA PRO A 20 -13.190 10.626 -5.563 1.00 0.00 C ATOM 320 C PRO A 20 -11.767 11.161 -5.450 1.00 0.00 C ATOM 321 O PRO A 20 -11.539 12.370 -5.507 1.00 0.00 O ATOM 322 CB PRO A 20 -13.482 10.185 -6.996 1.00 0.00 C ATOM 323 CG PRO A 20 -14.924 10.489 -7.199 1.00 0.00 C ATOM 324 CD PRO A 20 -15.192 11.734 -6.401 1.00 0.00 C ATOM 0 HA PRO A 20 -13.243 9.819 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.859 10.724 -7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.278 9.123 -7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.147 10.645 -8.255 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.550 9.664 -6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.055 12.634 -7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.214 11.757 -6.022 1.00 0.00 H new ATOM 332 N VAL A 21 -10.813 10.249 -5.284 1.00 0.00 N ATOM 333 CA VAL A 21 -9.412 10.617 -5.161 1.00 0.00 C ATOM 334 C VAL A 21 -8.736 10.682 -6.519 1.00 0.00 C ATOM 335 O VAL A 21 -9.127 9.985 -7.456 1.00 0.00 O ATOM 336 CB VAL A 21 -8.639 9.605 -4.306 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.195 10.027 -4.177 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.261 9.442 -2.936 1.00 0.00 C ATOM 0 H VAL A 21 -10.990 9.246 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.396 11.598 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.687 8.639 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.657 9.301 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.741 10.078 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.143 11.007 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.686 8.717 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.259 10.401 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.287 9.090 -3.042 1.00 0.00 H new ATOM 348 N ASP A 22 -7.717 11.526 -6.618 1.00 0.00 N ATOM 349 CA ASP A 22 -6.959 11.651 -7.846 1.00 0.00 C ATOM 350 C ASP A 22 -5.871 10.597 -7.865 1.00 0.00 C ATOM 351 O ASP A 22 -4.696 10.905 -7.951 1.00 0.00 O ATOM 352 CB ASP A 22 -6.358 13.048 -7.977 1.00 0.00 C ATOM 353 CG ASP A 22 -7.415 14.126 -8.109 1.00 0.00 C ATOM 354 OD1 ASP A 22 -7.977 14.538 -7.073 1.00 0.00 O ATOM 355 OD2 ASP A 22 -7.680 14.560 -9.251 1.00 0.00 O ATOM 0 H ASP A 22 -7.400 12.132 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.626 11.500 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.738 13.256 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.703 13.078 -8.848 1.00 0.00 H new ATOM 360 N LEU A 23 -6.307 9.351 -7.777 1.00 0.00 N ATOM 361 CA LEU A 23 -5.440 8.178 -7.759 1.00 0.00 C ATOM 362 C LEU A 23 -4.428 8.141 -8.898 1.00 0.00 C ATOM 363 O LEU A 23 -3.698 7.170 -9.046 1.00 0.00 O ATOM 364 CB LEU A 23 -6.322 6.950 -7.809 1.00 0.00 C ATOM 365 CG LEU A 23 -7.479 6.997 -6.818 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.494 5.909 -7.115 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.953 6.853 -5.402 1.00 0.00 C ATOM 0 H LEU A 23 -7.298 9.119 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.848 8.215 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.721 6.839 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.715 6.067 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.978 7.961 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.309 5.965 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.890 6.046 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.013 4.933 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.786 6.888 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.433 5.900 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.262 7.668 -5.186 1.00 0.00 H new ATOM 379 N ASP A 24 -4.422 9.162 -9.726 1.00 0.00 N ATOM 380 CA ASP A 24 -3.479 9.265 -10.799 1.00 0.00 C ATOM 381 C ASP A 24 -2.392 10.231 -10.388 1.00 0.00 C ATOM 382 O ASP A 24 -1.198 9.998 -10.579 1.00 0.00 O ATOM 383 CB ASP A 24 -4.197 9.791 -12.021 1.00 0.00 C ATOM 384 CG ASP A 24 -4.847 8.695 -12.841 1.00 0.00 C ATOM 385 OD1 ASP A 24 -5.959 8.258 -12.473 1.00 0.00 O ATOM 386 OD2 ASP A 24 -4.245 8.271 -13.850 1.00 0.00 O ATOM 0 H ASP A 24 -5.076 9.943 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.039 8.293 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.959 10.505 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.489 10.334 -12.647 1.00 0.00 H new ATOM 391 N ALA A 25 -2.856 11.324 -9.818 1.00 0.00 N ATOM 392 CA ALA A 25 -2.009 12.392 -9.332 1.00 0.00 C ATOM 393 C ALA A 25 -1.531 12.103 -7.910 1.00 0.00 C ATOM 394 O ALA A 25 -0.473 12.570 -7.480 1.00 0.00 O ATOM 395 CB ALA A 25 -2.800 13.688 -9.381 1.00 0.00 C ATOM 0 H ALA A 25 -3.851 11.497 -9.677 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.123 12.475 -9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.179 14.507 -9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.104 13.890 -10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.685 13.598 -8.752 1.00 0.00 H new ATOM 401 N LEU A 26 -2.322 11.307 -7.201 1.00 0.00 N ATOM 402 CA LEU A 26 -2.049 10.936 -5.822 1.00 0.00 C ATOM 403 C LEU A 26 -0.808 10.063 -5.739 1.00 0.00 C ATOM 404 O LEU A 26 0.012 10.205 -4.832 1.00 0.00 O ATOM 405 CB LEU A 26 -3.286 10.215 -5.253 1.00 0.00 C ATOM 406 CG LEU A 26 -3.033 9.117 -4.211 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.284 8.880 -3.384 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.616 7.817 -4.879 1.00 0.00 C ATOM 0 H LEU A 26 -3.179 10.898 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.852 11.828 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.939 10.964 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.833 9.773 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.224 9.452 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.091 8.099 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.561 9.801 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.099 8.570 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.443 7.056 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.406 7.484 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.699 7.977 -5.447 1.00 0.00 H new ATOM 420 N VAL A 27 -0.685 9.159 -6.697 1.00 0.00 N ATOM 421 CA VAL A 27 0.447 8.248 -6.752 1.00 0.00 C ATOM 422 C VAL A 27 1.636 8.883 -7.466 1.00 0.00 C ATOM 423 O VAL A 27 2.787 8.645 -7.107 1.00 0.00 O ATOM 424 CB VAL A 27 0.060 6.928 -7.455 1.00 0.00 C ATOM 425 CG1 VAL A 27 -1.001 7.179 -8.510 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.277 6.252 -8.073 1.00 0.00 C ATOM 0 H VAL A 27 -1.360 9.036 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 27 0.737 8.029 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.349 6.255 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.262 6.238 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.888 7.603 -8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.616 7.876 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.971 5.326 -8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.728 6.917 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.004 6.028 -7.293 1.00 0.00 H new ATOM 436 N HIS A 28 1.347 9.692 -8.479 1.00 0.00 N ATOM 437 CA HIS A 28 2.391 10.355 -9.255 1.00 0.00 C ATOM 438 C HIS A 28 3.351 11.122 -8.354 1.00 0.00 C ATOM 439 O HIS A 28 4.556 10.859 -8.342 1.00 0.00 O ATOM 440 CB HIS A 28 1.762 11.317 -10.264 1.00 0.00 C ATOM 441 CG HIS A 28 2.718 11.795 -11.311 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.279 13.056 -11.301 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.213 11.176 -12.410 1.00 0.00 C ATOM 444 CE1 HIS A 28 4.077 13.189 -12.344 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.055 12.064 -13.033 1.00 0.00 N ATOM 0 H HIS A 28 0.397 9.905 -8.783 1.00 0.00 H new ATOM 0 HA HIS A 28 2.955 9.585 -9.781 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.921 10.822 -10.750 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.360 12.178 -9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.987 10.171 -12.735 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.651 14.070 -12.592 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.579 11.883 -13.890 1.00 0.00 H new ATOM 454 N ARG A 29 2.807 12.067 -7.596 1.00 0.00 N ATOM 455 CA ARG A 29 3.615 12.884 -6.694 1.00 0.00 C ATOM 456 C ARG A 29 4.272 12.037 -5.609 1.00 0.00 C ATOM 457 O ARG A 29 5.275 12.439 -5.020 1.00 0.00 O ATOM 458 CB ARG A 29 2.765 13.988 -6.060 1.00 0.00 C ATOM 459 CG ARG A 29 2.533 15.185 -6.973 1.00 0.00 C ATOM 460 CD ARG A 29 1.728 14.808 -8.205 1.00 0.00 C ATOM 461 NE ARG A 29 1.387 15.975 -9.014 1.00 0.00 N ATOM 462 CZ ARG A 29 0.836 15.898 -10.222 1.00 0.00 C ATOM 463 NH1 ARG A 29 0.577 14.715 -10.760 1.00 0.00 N ATOM 464 NH2 ARG A 29 0.547 17.005 -10.891 1.00 0.00 N ATOM 0 H ARG A 29 1.811 12.287 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 29 4.406 13.343 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.800 13.571 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.251 14.329 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.009 15.966 -6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.493 15.600 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.299 14.102 -8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.814 14.299 -7.899 1.00 0.00 H new ATOM 0 HE ARG A 29 1.582 16.900 -8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.800 13.862 -10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.154 14.658 -11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.747 17.917 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.124 16.945 -11.817 1.00 0.00 H new ATOM 478 N ALA A 30 3.703 10.868 -5.346 1.00 0.00 N ATOM 479 CA ALA A 30 4.238 9.970 -4.331 1.00 0.00 C ATOM 480 C ALA A 30 5.485 9.249 -4.826 1.00 0.00 C ATOM 481 O ALA A 30 6.558 9.373 -4.240 1.00 0.00 O ATOM 482 CB ALA A 30 3.187 8.960 -3.922 1.00 0.00 C ATOM 0 H ALA A 30 2.871 10.519 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 30 4.517 10.573 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.598 8.294 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.320 9.481 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.885 8.376 -4.792 1.00 0.00 H new ATOM 488 N SER A 31 5.324 8.480 -5.900 1.00 0.00 N ATOM 489 CA SER A 31 6.431 7.732 -6.487 1.00 0.00 C ATOM 490 C SER A 31 7.620 8.646 -6.747 1.00 0.00 C ATOM 491 O SER A 31 8.769 8.215 -6.684 1.00 0.00 O ATOM 492 CB SER A 31 5.986 7.069 -7.793 1.00 0.00 C ATOM 493 OG SER A 31 7.057 6.367 -8.400 1.00 0.00 O ATOM 0 H SER A 31 4.434 8.359 -6.383 1.00 0.00 H new ATOM 0 HA SER A 31 6.736 6.960 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.163 6.382 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.609 7.827 -8.479 1.00 0.00 H new ATOM 0 HG SER A 31 6.746 5.951 -9.231 1.00 0.00 H new ATOM 499 N SER A 32 7.333 9.909 -7.038 1.00 0.00 N ATOM 500 CA SER A 32 8.376 10.890 -7.307 1.00 0.00 C ATOM 501 C SER A 32 9.218 11.156 -6.063 1.00 0.00 C ATOM 502 O SER A 32 10.401 11.476 -6.162 1.00 0.00 O ATOM 503 CB SER A 32 7.756 12.192 -7.804 1.00 0.00 C ATOM 504 OG SER A 32 8.754 13.151 -8.109 1.00 0.00 O ATOM 0 H SER A 32 6.384 10.278 -7.094 1.00 0.00 H new ATOM 0 HA SER A 32 9.029 10.484 -8.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.153 11.996 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.084 12.591 -7.044 1.00 0.00 H new ATOM 0 HG SER A 32 8.329 13.975 -8.427 1.00 0.00 H new ATOM 510 N LYS A 33 8.591 11.052 -4.895 1.00 0.00 N ATOM 511 CA LYS A 33 9.279 11.279 -3.627 1.00 0.00 C ATOM 512 C LYS A 33 9.970 10.013 -3.120 1.00 0.00 C ATOM 513 O LYS A 33 11.099 10.063 -2.635 1.00 0.00 O ATOM 514 CB LYS A 33 8.293 11.792 -2.576 1.00 0.00 C ATOM 515 CG LYS A 33 8.950 12.179 -1.262 1.00 0.00 C ATOM 516 CD LYS A 33 7.939 12.734 -0.271 1.00 0.00 C ATOM 517 CE LYS A 33 7.894 11.905 1.002 1.00 0.00 C ATOM 518 NZ LYS A 33 7.350 12.680 2.151 1.00 0.00 N ATOM 0 H LYS A 33 7.604 10.811 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 33 10.049 12.031 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.765 12.657 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.545 11.022 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.442 11.307 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.724 12.923 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.196 13.765 -0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.950 12.752 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.279 11.020 0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.898 11.555 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.399 12.102 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.911 13.546 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.360 12.934 1.960 1.00 0.00 H new ATOM 532 N ASN A 34 9.284 8.882 -3.241 1.00 0.00 N ATOM 533 CA ASN A 34 9.817 7.600 -2.775 1.00 0.00 C ATOM 534 C ASN A 34 10.960 7.114 -3.661 1.00 0.00 C ATOM 535 O ASN A 34 11.848 6.400 -3.201 1.00 0.00 O ATOM 536 CB ASN A 34 8.705 6.541 -2.728 1.00 0.00 C ATOM 537 CG ASN A 34 7.646 6.855 -1.691 1.00 0.00 C ATOM 538 OD1 ASN A 34 7.530 7.991 -1.232 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.859 5.849 -1.322 1.00 0.00 N ATOM 0 H ASN A 34 8.355 8.823 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 34 10.209 7.753 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.237 6.467 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.144 5.567 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.124 6.003 -0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.991 4.923 -1.729 1.00 0.00 H new ATOM 546 N LEU A 35 10.941 7.508 -4.927 1.00 0.00 N ATOM 547 CA LEU A 35 11.981 7.099 -5.866 1.00 0.00 C ATOM 548 C LEU A 35 13.370 7.514 -5.374 1.00 0.00 C ATOM 549 O LEU A 35 14.228 6.664 -5.143 1.00 0.00 O ATOM 550 CB LEU A 35 11.725 7.700 -7.244 1.00 0.00 C ATOM 551 CG LEU A 35 11.691 6.700 -8.396 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.291 6.126 -8.558 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.164 7.361 -9.681 1.00 0.00 C ATOM 0 H LEU A 35 10.220 8.108 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 35 11.950 6.012 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.774 8.233 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.499 8.439 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 35 12.368 5.877 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.283 5.414 -9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.997 5.619 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.589 6.933 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.135 6.637 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.512 8.201 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.185 7.720 -9.551 1.00 0.00 H new ATOM 565 N PRO A 36 13.610 8.831 -5.205 1.00 0.00 N ATOM 566 CA PRO A 36 14.901 9.342 -4.746 1.00 0.00 C ATOM 567 C PRO A 36 15.184 8.947 -3.305 1.00 0.00 C ATOM 568 O PRO A 36 16.337 8.856 -2.879 1.00 0.00 O ATOM 569 CB PRO A 36 14.749 10.855 -4.858 1.00 0.00 C ATOM 570 CG PRO A 36 13.286 11.086 -4.737 1.00 0.00 C ATOM 571 CD PRO A 36 12.649 9.922 -5.429 1.00 0.00 C ATOM 0 HA PRO A 36 15.731 8.943 -5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.300 11.370 -4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.133 11.224 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.980 11.139 -3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.996 12.028 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.671 9.690 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.501 10.117 -6.491 1.00 0.00 H new ATOM 579 N LEU A 37 14.110 8.715 -2.564 1.00 0.00 N ATOM 580 CA LEU A 37 14.197 8.330 -1.164 1.00 0.00 C ATOM 581 C LEU A 37 14.716 6.906 -1.016 1.00 0.00 C ATOM 582 O LEU A 37 15.240 6.529 0.033 1.00 0.00 O ATOM 583 CB LEU A 37 12.818 8.464 -0.521 1.00 0.00 C ATOM 584 CG LEU A 37 12.618 9.724 0.314 1.00 0.00 C ATOM 585 CD1 LEU A 37 12.971 10.967 -0.495 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.186 9.801 0.815 1.00 0.00 C ATOM 0 H LEU A 37 13.156 8.788 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 37 14.902 8.991 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.063 8.443 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.643 7.594 0.112 1.00 0.00 H new ATOM 0 HG LEU A 37 13.285 9.678 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.821 11.855 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.014 10.913 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.330 11.022 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.057 10.705 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.504 9.825 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.968 8.928 1.430 1.00 0.00 H new ATOM 598 N GLY A 38 14.567 6.125 -2.075 1.00 0.00 N ATOM 599 CA GLY A 38 15.021 4.746 -2.054 1.00 0.00 C ATOM 600 C GLY A 38 13.898 3.802 -1.692 1.00 0.00 C ATOM 601 O GLY A 38 14.102 2.598 -1.534 1.00 0.00 O ATOM 0 H GLY A 38 14.139 6.421 -2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.423 4.479 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.834 4.640 -1.336 1.00 0.00 H new ATOM 605 N ILE A 39 12.706 4.367 -1.562 1.00 0.00 N ATOM 606 CA ILE A 39 11.520 3.606 -1.212 1.00 0.00 C ATOM 607 C ILE A 39 10.804 3.098 -2.457 1.00 0.00 C ATOM 608 O ILE A 39 10.874 3.709 -3.524 1.00 0.00 O ATOM 609 CB ILE A 39 10.540 4.469 -0.397 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.255 5.115 0.787 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.359 3.632 0.077 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.515 6.307 1.349 1.00 0.00 C ATOM 0 H ILE A 39 12.536 5.364 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 39 11.848 2.756 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 39 10.159 5.262 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.386 4.372 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.252 5.428 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.676 4.258 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.835 3.221 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.719 2.817 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.075 6.721 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.407 7.067 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.528 5.995 1.691 1.00 0.00 H new ATOM 624 N THR A 40 10.120 1.973 -2.307 1.00 0.00 N ATOM 625 CA THR A 40 9.369 1.374 -3.397 1.00 0.00 C ATOM 626 C THR A 40 8.095 0.749 -2.851 1.00 0.00 C ATOM 627 O THR A 40 8.054 0.352 -1.688 1.00 0.00 O ATOM 628 CB THR A 40 10.195 0.301 -4.131 1.00 0.00 C ATOM 629 OG1 THR A 40 11.460 0.129 -3.483 1.00 0.00 O ATOM 630 CG2 THR A 40 10.411 0.690 -5.585 1.00 0.00 C ATOM 0 H THR A 40 10.071 1.453 -1.431 1.00 0.00 H new ATOM 0 HA THR A 40 9.126 2.160 -4.112 1.00 0.00 H new ATOM 0 HB THR A 40 9.643 -0.638 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.150 0.619 -3.977 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.997 -0.082 -6.085 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.446 0.792 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.945 1.639 -5.632 1.00 0.00 H new ATOM 638 N GLY A 41 7.054 0.663 -3.671 1.00 0.00 N ATOM 639 CA GLY A 41 5.820 0.088 -3.184 1.00 0.00 C ATOM 640 C GLY A 41 4.659 0.182 -4.147 1.00 0.00 C ATOM 641 O GLY A 41 4.831 0.387 -5.349 1.00 0.00 O ATOM 0 H GLY A 41 7.042 0.974 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.993 -0.961 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.545 0.585 -2.254 1.00 0.00 H new ATOM 645 N ILE A 42 3.471 0.026 -3.581 1.00 0.00 N ATOM 646 CA ILE A 42 2.225 0.075 -4.324 1.00 0.00 C ATOM 647 C ILE A 42 1.095 0.522 -3.404 1.00 0.00 C ATOM 648 O ILE A 42 1.037 0.123 -2.243 1.00 0.00 O ATOM 649 CB ILE A 42 1.876 -1.297 -4.927 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.430 -1.328 -5.420 1.00 0.00 C ATOM 651 CG2 ILE A 42 2.084 -2.366 -3.883 1.00 0.00 C ATOM 652 CD1 ILE A 42 0.229 -2.175 -6.654 1.00 0.00 C ATOM 0 H ILE A 42 3.346 -0.140 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 42 2.349 0.787 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 42 2.528 -1.480 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.209 -1.706 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.106 -0.309 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.838 -3.340 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.125 -2.363 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.439 -2.169 -3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.821 -2.150 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.841 -1.784 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.522 -3.203 -6.441 1.00 0.00 H new ATOM 664 N LEU A 43 0.199 1.335 -3.927 1.00 0.00 N ATOM 665 CA LEU A 43 -0.925 1.837 -3.147 1.00 0.00 C ATOM 666 C LEU A 43 -2.224 1.164 -3.584 1.00 0.00 C ATOM 667 O LEU A 43 -2.275 0.523 -4.633 1.00 0.00 O ATOM 668 CB LEU A 43 -1.045 3.351 -3.298 1.00 0.00 C ATOM 669 CG LEU A 43 -0.892 4.148 -2.007 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.183 5.611 -2.259 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.798 3.603 -0.916 1.00 0.00 C ATOM 0 H LEU A 43 0.224 1.666 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.745 1.601 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.290 3.690 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.017 3.580 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 43 0.138 4.049 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.070 6.170 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.485 5.998 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.203 5.721 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.668 4.191 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.837 3.664 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.541 2.563 -0.715 1.00 0.00 H new ATOM 683 N LEU A 44 -3.268 1.308 -2.774 1.00 0.00 N ATOM 684 CA LEU A 44 -4.559 0.701 -3.075 1.00 0.00 C ATOM 685 C LEU A 44 -5.725 1.589 -2.659 1.00 0.00 C ATOM 686 O LEU A 44 -5.611 2.394 -1.739 1.00 0.00 O ATOM 687 CB LEU A 44 -4.676 -0.654 -2.377 1.00 0.00 C ATOM 688 CG LEU A 44 -4.128 -1.829 -3.176 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.657 -2.054 -2.871 1.00 0.00 C ATOM 690 CD2 LEU A 44 -4.925 -3.085 -2.891 1.00 0.00 C ATOM 0 H LEU A 44 -3.245 1.840 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.609 0.571 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.150 -0.603 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.726 -0.843 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.223 -1.590 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.290 -2.898 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.091 -1.160 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.534 -2.266 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.518 -3.913 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.864 -3.321 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.967 -2.925 -3.168 1.00 0.00 H new ATOM 702 N PHE A 45 -6.844 1.431 -3.358 1.00 0.00 N ATOM 703 CA PHE A 45 -8.061 2.182 -3.065 1.00 0.00 C ATOM 704 C PHE A 45 -9.277 1.340 -3.433 1.00 0.00 C ATOM 705 O PHE A 45 -9.336 0.784 -4.525 1.00 0.00 O ATOM 706 CB PHE A 45 -8.083 3.506 -3.831 1.00 0.00 C ATOM 707 CG PHE A 45 -9.197 4.426 -3.413 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.263 4.909 -2.115 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.175 4.807 -4.316 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.283 5.757 -1.726 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.198 5.656 -3.933 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.251 6.130 -2.637 1.00 0.00 C ATOM 0 H PHE A 45 -6.934 0.782 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.085 2.410 -1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.130 4.015 -3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.176 3.298 -4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.508 4.619 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.139 4.437 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.323 6.127 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.954 5.948 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.049 6.792 -2.336 1.00 0.00 H new ATOM 722 N ASN A 46 -10.253 1.262 -2.537 1.00 0.00 N ATOM 723 CA ASN A 46 -11.441 0.459 -2.790 1.00 0.00 C ATOM 724 C ASN A 46 -12.688 1.327 -2.746 1.00 0.00 C ATOM 725 O ASN A 46 -13.810 0.827 -2.829 1.00 0.00 O ATOM 726 CB ASN A 46 -11.540 -0.676 -1.767 1.00 0.00 C ATOM 727 CG ASN A 46 -12.091 -0.213 -0.430 1.00 0.00 C ATOM 728 OD1 ASN A 46 -13.297 -0.267 -0.189 1.00 0.00 O ATOM 729 ND2 ASN A 46 -11.203 0.247 0.445 1.00 0.00 N ATOM 0 H ASN A 46 -10.246 1.741 -1.636 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.362 0.023 -3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.179 -1.464 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.552 -1.112 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.511 0.574 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.213 0.273 0.201 1.00 0.00 H new ATOM 736 N GLY A 47 -12.480 2.631 -2.615 1.00 0.00 N ATOM 737 CA GLY A 47 -13.593 3.552 -2.568 1.00 0.00 C ATOM 738 C GLY A 47 -13.827 4.120 -1.188 1.00 0.00 C ATOM 739 O GLY A 47 -14.727 4.937 -0.992 1.00 0.00 O ATOM 0 H GLY A 47 -11.560 3.065 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.412 4.369 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.496 3.041 -2.903 1.00 0.00 H new ATOM 743 N LEU A 48 -13.020 3.690 -0.229 1.00 0.00 N ATOM 744 CA LEU A 48 -13.154 4.166 1.139 1.00 0.00 C ATOM 745 C LEU A 48 -11.820 4.115 1.872 1.00 0.00 C ATOM 746 O LEU A 48 -11.502 5.011 2.648 1.00 0.00 O ATOM 747 CB LEU A 48 -14.192 3.321 1.886 1.00 0.00 C ATOM 748 CG LEU A 48 -14.785 3.946 3.159 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.763 3.958 4.289 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.294 5.356 2.886 1.00 0.00 C ATOM 0 H LEU A 48 -12.269 3.015 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.485 5.204 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.010 3.098 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.732 2.370 2.153 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.629 3.331 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.208 4.405 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.455 2.936 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.893 4.541 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.709 5.777 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.470 5.980 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.068 5.321 2.120 1.00 0.00 H new ATOM 762 N GLN A 49 -11.039 3.074 1.613 1.00 0.00 N ATOM 763 CA GLN A 49 -9.755 2.908 2.290 1.00 0.00 C ATOM 764 C GLN A 49 -8.560 2.966 1.338 1.00 0.00 C ATOM 765 O GLN A 49 -8.707 2.864 0.121 1.00 0.00 O ATOM 766 CB GLN A 49 -9.740 1.570 3.029 1.00 0.00 C ATOM 767 CG GLN A 49 -10.721 1.496 4.186 1.00 0.00 C ATOM 768 CD GLN A 49 -10.967 0.075 4.658 1.00 0.00 C ATOM 769 OE1 GLN A 49 -12.055 -0.253 5.130 1.00 0.00 O ATOM 770 NE2 GLN A 49 -9.953 -0.774 4.538 1.00 0.00 N ATOM 0 H GLN A 49 -11.267 2.337 0.946 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.654 3.742 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.967 0.773 2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.734 1.385 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.341 2.089 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.668 1.942 3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.068 -0.459 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.059 -1.741 4.843 1.00 0.00 H new ATOM 779 N PHE A 50 -7.369 3.124 1.927 1.00 0.00 N ATOM 780 CA PHE A 50 -6.116 3.171 1.172 1.00 0.00 C ATOM 781 C PHE A 50 -5.102 2.199 1.765 1.00 0.00 C ATOM 782 O PHE A 50 -4.652 2.380 2.897 1.00 0.00 O ATOM 783 CB PHE A 50 -5.495 4.572 1.191 1.00 0.00 C ATOM 784 CG PHE A 50 -5.982 5.500 0.114 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.597 5.324 -1.210 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.812 6.559 0.427 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.038 6.185 -2.188 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.255 7.421 -0.548 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.865 7.231 -1.858 1.00 0.00 C ATOM 0 H PHE A 50 -7.249 3.222 2.935 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.356 2.897 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.696 5.028 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.413 4.474 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.946 4.504 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.117 6.712 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.734 6.039 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.906 8.243 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.211 7.907 -2.626 1.00 0.00 H new ATOM 799 N PHE A 51 -4.745 1.174 1.007 1.00 0.00 N ATOM 800 CA PHE A 51 -3.765 0.197 1.466 1.00 0.00 C ATOM 801 C PHE A 51 -2.434 0.480 0.795 1.00 0.00 C ATOM 802 O PHE A 51 -2.352 0.523 -0.426 1.00 0.00 O ATOM 803 CB PHE A 51 -4.234 -1.214 1.145 1.00 0.00 C ATOM 804 CG PHE A 51 -3.232 -2.280 1.464 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.171 -2.844 2.724 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.355 -2.721 0.497 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.250 -3.827 3.011 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.434 -3.704 0.776 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.378 -4.258 2.034 1.00 0.00 C ATOM 0 H PHE A 51 -5.117 0.996 0.074 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.650 0.276 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.151 -1.415 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.483 -1.270 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.853 -2.510 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.391 -2.289 -0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.211 -4.260 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.755 -4.041 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.654 -5.028 2.255 1.00 0.00 H new ATOM 819 N GLN A 52 -1.385 0.644 1.579 1.00 0.00 N ATOM 820 CA GLN A 52 -0.093 0.980 1.010 1.00 0.00 C ATOM 821 C GLN A 52 1.018 0.019 1.405 1.00 0.00 C ATOM 822 O GLN A 52 1.312 -0.161 2.586 1.00 0.00 O ATOM 823 CB GLN A 52 0.299 2.389 1.438 1.00 0.00 C ATOM 824 CG GLN A 52 1.667 2.804 0.940 1.00 0.00 C ATOM 825 CD GLN A 52 1.655 3.314 -0.471 1.00 0.00 C ATOM 826 OE1 GLN A 52 1.623 2.529 -1.413 1.00 0.00 O ATOM 827 NE2 GLN A 52 1.693 4.634 -0.632 1.00 0.00 N ATOM 0 H GLN A 52 -1.400 0.552 2.595 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.206 0.909 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.445 3.094 1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.282 2.449 2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.065 3.578 1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.344 1.952 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.719 5.247 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.696 5.033 -1.571 1.00 0.00 H new ATOM 836 N VAL A 53 1.639 -0.584 0.398 1.00 0.00 N ATOM 837 CA VAL A 53 2.767 -1.472 0.621 1.00 0.00 C ATOM 838 C VAL A 53 4.041 -0.672 0.469 1.00 0.00 C ATOM 839 O VAL A 53 4.490 -0.409 -0.644 1.00 0.00 O ATOM 840 CB VAL A 53 2.811 -2.656 -0.362 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.187 -3.316 -0.351 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.739 -3.665 -0.022 1.00 0.00 C ATOM 0 H VAL A 53 1.378 -0.472 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 53 2.661 -1.889 1.623 1.00 0.00 H new ATOM 0 HB VAL A 53 2.623 -2.274 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.196 -4.150 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.943 -2.587 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.407 -3.683 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.784 -4.495 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.898 -4.038 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.760 -3.190 -0.083 1.00 0.00 H new ATOM 852 N LEU A 54 4.612 -0.270 1.582 1.00 0.00 N ATOM 853 CA LEU A 54 5.824 0.519 1.550 1.00 0.00 C ATOM 854 C LEU A 54 7.025 -0.327 1.939 1.00 0.00 C ATOM 855 O LEU A 54 7.001 -1.029 2.947 1.00 0.00 O ATOM 856 CB LEU A 54 5.687 1.708 2.492 1.00 0.00 C ATOM 857 CG LEU A 54 6.457 2.957 2.086 1.00 0.00 C ATOM 858 CD1 LEU A 54 5.799 3.624 0.885 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.541 3.912 3.263 1.00 0.00 C ATOM 0 H LEU A 54 4.259 -0.475 2.517 1.00 0.00 H new ATOM 0 HA LEU A 54 5.980 0.883 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.631 1.964 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.020 1.404 3.484 1.00 0.00 H new ATOM 0 HG LEU A 54 7.469 2.674 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.363 4.515 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.785 2.929 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.777 3.906 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.093 4.805 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.535 4.194 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.055 3.424 4.091 1.00 0.00 H new ATOM 871 N GLU A 55 8.073 -0.263 1.132 1.00 0.00 N ATOM 872 CA GLU A 55 9.277 -1.030 1.412 1.00 0.00 C ATOM 873 C GLU A 55 10.531 -0.244 1.064 1.00 0.00 C ATOM 874 O GLU A 55 10.797 0.073 -0.095 1.00 0.00 O ATOM 875 CB GLU A 55 9.260 -2.368 0.674 1.00 0.00 C ATOM 876 CG GLU A 55 8.348 -2.378 -0.532 1.00 0.00 C ATOM 877 CD GLU A 55 8.091 -3.777 -1.058 1.00 0.00 C ATOM 878 OE1 GLU A 55 8.899 -4.259 -1.879 1.00 0.00 O ATOM 879 OE2 GLU A 55 7.084 -4.390 -0.646 1.00 0.00 O ATOM 0 H GLU A 55 8.115 0.306 0.286 1.00 0.00 H new ATOM 0 HA GLU A 55 9.294 -1.230 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.274 -2.612 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.946 -3.151 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.398 -1.913 -0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.791 -1.772 -1.323 1.00 0.00 H new ATOM 886 N GLY A 56 11.285 0.055 2.104 1.00 0.00 N ATOM 887 CA GLY A 56 12.524 0.788 1.980 1.00 0.00 C ATOM 888 C GLY A 56 13.193 0.931 3.328 1.00 0.00 C ATOM 889 O GLY A 56 12.800 0.261 4.284 1.00 0.00 O ATOM 0 H GLY A 56 11.052 -0.206 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.191 0.272 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.329 1.774 1.558 1.00 0.00 H new ATOM 893 N THR A 57 14.202 1.787 3.420 1.00 0.00 N ATOM 894 CA THR A 57 14.888 1.993 4.687 1.00 0.00 C ATOM 895 C THR A 57 13.891 2.328 5.787 1.00 0.00 C ATOM 896 O THR A 57 13.049 3.210 5.629 1.00 0.00 O ATOM 897 CB THR A 57 15.942 3.106 4.592 1.00 0.00 C ATOM 898 OG1 THR A 57 15.503 4.133 3.696 1.00 0.00 O ATOM 899 CG2 THR A 57 17.263 2.530 4.118 1.00 0.00 C ATOM 0 H THR A 57 14.560 2.343 2.643 1.00 0.00 H new ATOM 0 HA THR A 57 15.399 1.061 4.930 1.00 0.00 H new ATOM 0 HB THR A 57 16.080 3.543 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.183 4.837 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.005 3.326 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.604 1.773 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.131 2.077 3.136 1.00 0.00 H new ATOM 907 N GLU A 58 13.995 1.603 6.897 1.00 0.00 N ATOM 908 CA GLU A 58 13.100 1.793 8.035 1.00 0.00 C ATOM 909 C GLU A 58 12.991 3.263 8.420 1.00 0.00 C ATOM 910 O GLU A 58 11.912 3.744 8.766 1.00 0.00 O ATOM 911 CB GLU A 58 13.586 0.980 9.234 1.00 0.00 C ATOM 912 CG GLU A 58 12.605 0.973 10.393 1.00 0.00 C ATOM 913 CD GLU A 58 13.159 0.285 11.624 1.00 0.00 C ATOM 914 OE1 GLU A 58 13.912 0.934 12.380 1.00 0.00 O ATOM 915 OE2 GLU A 58 12.842 -0.906 11.832 1.00 0.00 O ATOM 0 H GLU A 58 14.695 0.874 7.033 1.00 0.00 H new ATOM 0 HA GLU A 58 12.111 1.445 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.771 -0.046 8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.539 1.384 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.339 2.000 10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.687 0.472 10.084 1.00 0.00 H new ATOM 922 N GLU A 59 14.113 3.969 8.369 1.00 0.00 N ATOM 923 CA GLU A 59 14.135 5.386 8.709 1.00 0.00 C ATOM 924 C GLU A 59 13.228 6.179 7.785 1.00 0.00 C ATOM 925 O GLU A 59 12.605 7.162 8.190 1.00 0.00 O ATOM 926 CB GLU A 59 15.549 5.932 8.642 1.00 0.00 C ATOM 927 CG GLU A 59 16.222 5.742 7.292 1.00 0.00 C ATOM 928 CD GLU A 59 17.611 6.348 7.243 1.00 0.00 C ATOM 929 OE1 GLU A 59 17.717 7.571 7.013 1.00 0.00 O ATOM 930 OE2 GLU A 59 18.593 5.600 7.433 1.00 0.00 O ATOM 0 H GLU A 59 15.018 3.585 8.096 1.00 0.00 H new ATOM 0 HA GLU A 59 13.767 5.490 9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.528 6.996 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.152 5.446 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.286 4.677 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.605 6.194 6.516 1.00 0.00 H new ATOM 937 N ALA A 60 13.166 5.737 6.544 1.00 0.00 N ATOM 938 CA ALA A 60 12.339 6.380 5.534 1.00 0.00 C ATOM 939 C ALA A 60 10.875 5.981 5.688 1.00 0.00 C ATOM 940 O ALA A 60 9.982 6.805 5.514 1.00 0.00 O ATOM 941 CB ALA A 60 12.841 6.031 4.141 1.00 0.00 C ATOM 0 H ALA A 60 13.684 4.926 6.206 1.00 0.00 H new ATOM 0 HA ALA A 60 12.410 7.459 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.213 6.519 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.870 6.373 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.800 4.951 3.999 1.00 0.00 H new ATOM 947 N LEU A 61 10.638 4.711 6.012 1.00 0.00 N ATOM 948 CA LEU A 61 9.278 4.210 6.190 1.00 0.00 C ATOM 949 C LEU A 61 8.573 4.944 7.320 1.00 0.00 C ATOM 950 O LEU A 61 7.402 5.290 7.206 1.00 0.00 O ATOM 951 CB LEU A 61 9.294 2.711 6.476 1.00 0.00 C ATOM 952 CG LEU A 61 10.109 1.868 5.493 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.860 0.389 5.731 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.775 2.236 4.054 1.00 0.00 C ATOM 0 H LEU A 61 11.368 4.013 6.156 1.00 0.00 H new ATOM 0 HA LEU A 61 8.731 4.389 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.689 2.553 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.267 2.347 6.477 1.00 0.00 H new ATOM 0 HG LEU A 61 11.165 2.077 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.447 -0.197 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.153 0.130 6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.801 0.171 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.367 1.623 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.715 2.061 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.003 3.288 3.885 1.00 0.00 H new ATOM 966 N GLU A 62 9.295 5.182 8.408 1.00 0.00 N ATOM 967 CA GLU A 62 8.737 5.876 9.559 1.00 0.00 C ATOM 968 C GLU A 62 8.293 7.283 9.176 1.00 0.00 C ATOM 969 O GLU A 62 7.127 7.642 9.330 1.00 0.00 O ATOM 970 CB GLU A 62 9.783 5.946 10.669 1.00 0.00 C ATOM 971 CG GLU A 62 9.206 6.230 12.047 1.00 0.00 C ATOM 972 CD GLU A 62 8.550 7.595 12.146 1.00 0.00 C ATOM 973 OE1 GLU A 62 9.279 8.594 12.321 1.00 0.00 O ATOM 974 OE2 GLU A 62 7.307 7.664 12.052 1.00 0.00 O ATOM 0 H GLU A 62 10.270 4.903 8.516 1.00 0.00 H new ATOM 0 HA GLU A 62 7.866 5.324 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.327 5.002 10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.507 6.722 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.473 5.462 12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.001 6.161 12.789 1.00 0.00 H new ATOM 981 N SER A 63 9.239 8.071 8.679 1.00 0.00 N ATOM 982 CA SER A 63 8.968 9.444 8.267 1.00 0.00 C ATOM 983 C SER A 63 7.859 9.506 7.224 1.00 0.00 C ATOM 984 O SER A 63 6.935 10.310 7.334 1.00 0.00 O ATOM 985 CB SER A 63 10.232 10.080 7.695 1.00 0.00 C ATOM 986 OG SER A 63 11.160 10.390 8.721 1.00 0.00 O ATOM 0 H SER A 63 10.208 7.780 8.551 1.00 0.00 H new ATOM 0 HA SER A 63 8.643 9.994 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.692 9.400 6.978 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.971 10.988 7.151 1.00 0.00 H new ATOM 0 HG SER A 63 11.961 10.794 8.327 1.00 0.00 H new ATOM 992 N LEU A 64 7.959 8.643 6.221 1.00 0.00 N ATOM 993 CA LEU A 64 6.981 8.592 5.143 1.00 0.00 C ATOM 994 C LEU A 64 5.612 8.310 5.725 1.00 0.00 C ATOM 995 O LEU A 64 4.704 9.130 5.652 1.00 0.00 O ATOM 996 CB LEU A 64 7.380 7.486 4.164 1.00 0.00 C ATOM 997 CG LEU A 64 6.748 7.537 2.773 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.266 7.281 2.860 1.00 0.00 C ATOM 999 CD2 LEU A 64 6.999 8.872 2.102 1.00 0.00 C ATOM 0 H LEU A 64 8.715 7.964 6.132 1.00 0.00 H new ATOM 0 HA LEU A 64 6.950 9.545 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.463 7.511 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.130 6.526 4.616 1.00 0.00 H new ATOM 0 HG LEU A 64 7.213 6.758 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.831 7.321 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.092 6.296 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.802 8.041 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.537 8.876 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.569 9.670 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.072 9.032 2.001 1.00 0.00 H new ATOM 1011 N PHE A 65 5.490 7.129 6.287 1.00 0.00 N ATOM 1012 CA PHE A 65 4.266 6.684 6.923 1.00 0.00 C ATOM 1013 C PHE A 65 3.744 7.739 7.897 1.00 0.00 C ATOM 1014 O PHE A 65 2.536 7.859 8.116 1.00 0.00 O ATOM 1015 CB PHE A 65 4.571 5.362 7.621 1.00 0.00 C ATOM 1016 CG PHE A 65 3.521 4.852 8.554 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.212 4.764 8.146 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.857 4.433 9.830 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.240 4.272 8.993 1.00 0.00 C ATOM 1020 CE2 PHE A 65 2.893 3.942 10.686 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.580 3.861 10.267 1.00 0.00 C ATOM 0 H PHE A 65 6.243 6.442 6.317 1.00 0.00 H new ATOM 0 HA PHE A 65 3.477 6.537 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.749 4.604 6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.500 5.476 8.180 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.941 5.084 7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.884 4.491 10.159 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.215 4.208 8.660 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.165 3.622 11.681 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.821 3.478 10.933 1.00 0.00 H new ATOM 1031 N SER A 66 4.661 8.513 8.468 1.00 0.00 N ATOM 1032 CA SER A 66 4.286 9.573 9.396 1.00 0.00 C ATOM 1033 C SER A 66 3.734 10.763 8.625 1.00 0.00 C ATOM 1034 O SER A 66 2.878 11.495 9.123 1.00 0.00 O ATOM 1035 CB SER A 66 5.480 10.001 10.248 1.00 0.00 C ATOM 1036 OG SER A 66 5.106 10.991 11.189 1.00 0.00 O ATOM 0 H SER A 66 5.664 8.427 8.305 1.00 0.00 H new ATOM 0 HA SER A 66 3.515 9.191 10.064 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.888 9.135 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.270 10.387 9.604 1.00 0.00 H new ATOM 0 HG SER A 66 5.887 11.247 11.723 1.00 0.00 H new ATOM 1042 N GLU A 67 4.231 10.954 7.406 1.00 0.00 N ATOM 1043 CA GLU A 67 3.765 12.031 6.557 1.00 0.00 C ATOM 1044 C GLU A 67 2.353 11.715 6.115 1.00 0.00 C ATOM 1045 O GLU A 67 1.529 12.600 5.879 1.00 0.00 O ATOM 1046 CB GLU A 67 4.668 12.155 5.336 1.00 0.00 C ATOM 1047 CG GLU A 67 6.085 12.587 5.662 1.00 0.00 C ATOM 1048 CD GLU A 67 6.333 14.052 5.358 1.00 0.00 C ATOM 1049 OE1 GLU A 67 6.101 14.891 6.252 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.761 14.358 4.226 1.00 0.00 O ATOM 0 H GLU A 67 4.958 10.372 6.989 1.00 0.00 H new ATOM 0 HA GLU A 67 3.785 12.973 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.701 11.195 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.230 12.873 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.284 12.400 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.787 11.978 5.092 1.00 0.00 H new ATOM 1057 N ILE A 68 2.099 10.420 6.012 1.00 0.00 N ATOM 1058 CA ILE A 68 0.814 9.900 5.609 1.00 0.00 C ATOM 1059 C ILE A 68 -0.265 10.265 6.615 1.00 0.00 C ATOM 1060 O ILE A 68 -1.237 10.918 6.266 1.00 0.00 O ATOM 1061 CB ILE A 68 0.922 8.375 5.433 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.436 8.061 4.032 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.402 7.658 5.684 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.517 8.993 3.552 1.00 0.00 C ATOM 0 H ILE A 68 2.791 9.697 6.209 1.00 0.00 H new ATOM 0 HA ILE A 68 0.526 10.349 4.658 1.00 0.00 H new ATOM 0 HB ILE A 68 1.624 8.006 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.818 7.040 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.601 8.099 3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.267 6.585 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.734 7.853 6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.152 8.023 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.828 8.703 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.135 10.014 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.371 8.938 4.227 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.082 9.876 7.871 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.083 10.167 8.888 1.00 0.00 C ATOM 1078 C GLN A 69 -1.311 11.671 9.039 1.00 0.00 C ATOM 1079 O GLN A 69 -2.250 12.101 9.709 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.688 9.548 10.224 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.260 8.096 10.114 1.00 0.00 C ATOM 1082 CD GLN A 69 -0.058 7.439 11.464 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.696 7.807 12.451 1.00 0.00 O ATOM 1084 NE2 GLN A 69 0.835 6.461 11.512 1.00 0.00 N ATOM 0 H GLN A 69 0.736 9.367 8.205 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.023 9.721 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.127 10.127 10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.530 9.619 10.912 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.013 7.541 9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.667 8.038 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.340 6.190 10.668 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.017 5.979 12.393 1.00 0.00 H new ATOM 1093 N SER A 70 -0.448 12.467 8.412 1.00 0.00 N ATOM 1094 CA SER A 70 -0.566 13.921 8.470 1.00 0.00 C ATOM 1095 C SER A 70 -1.302 14.455 7.242 1.00 0.00 C ATOM 1096 O SER A 70 -1.288 15.656 6.969 1.00 0.00 O ATOM 1097 CB SER A 70 0.820 14.560 8.564 1.00 0.00 C ATOM 1098 OG SER A 70 0.727 15.968 8.690 1.00 0.00 O ATOM 0 H SER A 70 0.340 12.130 7.859 1.00 0.00 H new ATOM 0 HA SER A 70 -1.141 14.181 9.359 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.355 14.150 9.421 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.400 14.309 7.676 1.00 0.00 H new ATOM 0 HG SER A 70 -0.004 16.299 8.128 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.943 13.552 6.504 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.683 13.921 5.301 1.00 0.00 C ATOM 1106 C ASP A 71 -4.179 14.058 5.598 1.00 0.00 C ATOM 1107 O ASP A 71 -4.709 13.369 6.471 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.451 12.875 4.210 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.720 13.443 3.009 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -2.388 14.005 2.116 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -0.477 13.326 2.962 1.00 0.00 O ATOM 0 H ASP A 71 -1.964 12.555 6.720 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.320 14.888 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.877 12.045 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.411 12.470 3.889 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.882 14.951 4.868 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.313 15.193 5.069 1.00 0.00 C ATOM 1118 C PRO A 72 -7.219 14.224 4.309 1.00 0.00 C ATOM 1119 O PRO A 72 -8.296 13.876 4.793 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.482 16.608 4.527 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.491 16.701 3.417 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.334 15.808 3.797 1.00 0.00 C ATOM 0 HA PRO A 72 -6.601 15.057 6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.497 16.777 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.287 17.354 5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.934 16.381 2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.158 17.730 3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.991 15.216 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.480 16.388 4.147 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.792 13.802 3.118 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.588 12.879 2.305 1.00 0.00 C ATOM 1132 C ARG A 73 -8.061 11.688 3.135 1.00 0.00 C ATOM 1133 O ARG A 73 -9.203 11.662 3.589 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.788 12.407 1.096 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.543 11.436 0.208 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.890 11.324 -1.155 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.806 12.618 -1.825 1.00 0.00 N ATOM 1138 CZ ARG A 73 -5.906 12.915 -2.756 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -5.003 12.018 -3.119 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -5.908 14.113 -3.324 1.00 0.00 N ATOM 0 H ARG A 73 -5.906 14.082 2.696 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.469 13.413 1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.495 13.274 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.870 11.931 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.575 10.455 0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.575 11.769 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.889 10.906 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.459 10.630 -1.774 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.479 13.338 -1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.997 11.096 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.313 12.249 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.601 14.808 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.216 14.340 -4.039 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.194 10.696 3.323 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.551 9.538 4.133 1.00 0.00 C ATOM 1156 C HIS A 74 -7.755 9.991 5.578 1.00 0.00 C ATOM 1157 O HIS A 74 -7.984 11.175 5.824 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.469 8.464 4.048 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.095 8.975 4.313 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -3.973 8.473 3.694 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.664 9.953 5.138 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -2.911 9.120 4.130 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.307 10.023 5.005 1.00 0.00 N ATOM 0 H HIS A 74 -6.253 10.671 2.931 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.476 9.101 3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.697 7.674 4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.494 8.013 3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.278 10.565 5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.891 8.941 3.823 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.697 10.671 5.503 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.671 9.079 6.542 1.00 0.00 N ATOM 1173 CA ARG A 75 -7.863 9.485 7.931 1.00 0.00 C ATOM 1174 C ARG A 75 -7.389 8.447 8.946 1.00 0.00 C ATOM 1175 O ARG A 75 -6.486 8.712 9.739 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.343 9.793 8.167 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.275 8.743 7.594 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.637 9.322 7.262 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.721 8.522 7.825 1.00 0.00 N ATOM 1180 CZ ARG A 75 -13.946 8.988 8.049 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.246 10.247 7.757 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -14.873 8.193 8.568 1.00 0.00 N ATOM 0 H ARG A 75 -7.478 8.088 6.397 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.248 10.371 8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.522 9.881 9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.581 10.760 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.832 8.316 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.390 7.929 8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.701 10.341 7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.753 9.380 6.180 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.527 7.549 8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.536 10.861 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.187 10.600 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.646 7.225 8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.813 8.550 8.740 1.00 0.00 H new ATOM 1196 N ASP A 76 -7.999 7.272 8.916 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.680 6.219 9.874 1.00 0.00 C ATOM 1198 C ASP A 76 -6.499 5.359 9.453 1.00 0.00 C ATOM 1199 O ASP A 76 -6.578 4.129 9.483 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.903 5.344 10.085 1.00 0.00 C ATOM 1201 CG ASP A 76 -8.814 4.510 11.348 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -8.934 5.086 12.449 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -8.627 3.281 11.235 1.00 0.00 O ATOM 0 H ASP A 76 -8.719 7.021 8.238 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.391 6.710 10.803 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.792 5.974 10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.025 4.684 9.226 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.408 5.994 9.063 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.214 5.246 8.687 1.00 0.00 C ATOM 1210 C VAL A 77 -3.693 4.486 9.893 1.00 0.00 C ATOM 1211 O VAL A 77 -3.688 5.000 11.012 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.096 6.138 8.098 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.302 7.584 8.470 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.726 5.689 8.566 1.00 0.00 C ATOM 0 H VAL A 77 -5.320 7.008 8.998 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.505 4.553 7.897 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.147 6.038 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.501 8.187 8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.261 7.926 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.293 7.685 9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.963 6.337 8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.676 5.746 9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.552 4.661 8.248 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.256 3.263 9.659 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.758 2.422 10.731 1.00 0.00 C ATOM 1226 C VAL A 78 -1.643 1.503 10.241 1.00 0.00 C ATOM 1227 O VAL A 78 -1.751 0.887 9.181 1.00 0.00 O ATOM 1228 CB VAL A 78 -3.911 1.595 11.339 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.244 0.387 10.477 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -3.579 1.173 12.761 1.00 0.00 C ATOM 0 H VAL A 78 -3.236 2.830 8.736 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.342 3.069 11.503 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.796 2.231 11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.060 -0.173 10.935 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.545 0.721 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.366 -0.254 10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.405 0.591 13.170 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.674 0.566 12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.420 2.059 13.376 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.564 1.426 11.013 1.00 0.00 N ATOM 1241 CA GLU A 79 0.572 0.591 10.648 1.00 0.00 C ATOM 1242 C GLU A 79 0.182 -0.880 10.622 1.00 0.00 C ATOM 1243 O GLU A 79 -0.062 -1.498 11.659 1.00 0.00 O ATOM 1244 CB GLU A 79 1.721 0.805 11.628 1.00 0.00 C ATOM 1245 CG GLU A 79 3.071 0.384 11.078 1.00 0.00 C ATOM 1246 CD GLU A 79 4.200 0.617 12.064 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.632 1.779 12.210 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.652 -0.365 12.691 1.00 0.00 O ATOM 0 H GLU A 79 -0.453 1.931 11.893 1.00 0.00 H new ATOM 0 HA GLU A 79 0.895 0.880 9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.762 1.859 11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.519 0.245 12.541 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.038 -0.673 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.274 0.937 10.161 1.00 0.00 H new ATOM 1255 N LEU A 80 0.133 -1.424 9.419 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.209 -2.820 9.200 1.00 0.00 C ATOM 1257 C LEU A 80 1.022 -3.698 9.299 1.00 0.00 C ATOM 1258 O LEU A 80 0.978 -4.802 9.845 1.00 0.00 O ATOM 1259 CB LEU A 80 -0.814 -2.985 7.807 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.329 -3.116 7.755 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -2.984 -1.903 8.392 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -2.778 -3.270 6.314 1.00 0.00 C ATOM 0 H LEU A 80 0.330 -0.908 8.562 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.925 -3.120 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.521 -2.128 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.376 -3.869 7.343 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.632 -4.001 8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.068 -2.010 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.669 -1.824 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.686 -1.004 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.863 -3.364 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.471 -2.395 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.323 -4.162 5.884 1.00 0.00 H new ATOM 1274 N MET A 81 2.121 -3.192 8.763 1.00 0.00 N ATOM 1275 CA MET A 81 3.364 -3.930 8.742 1.00 0.00 C ATOM 1276 C MET A 81 4.574 -3.039 8.859 1.00 0.00 C ATOM 1277 O MET A 81 4.494 -1.813 8.784 1.00 0.00 O ATOM 1278 CB MET A 81 3.462 -4.700 7.438 1.00 0.00 C ATOM 1279 CG MET A 81 3.942 -6.115 7.607 1.00 0.00 C ATOM 1280 SD MET A 81 4.157 -6.957 6.032 1.00 0.00 S ATOM 1281 CE MET A 81 5.372 -5.906 5.239 1.00 0.00 C ATOM 0 H MET A 81 2.173 -2.267 8.335 1.00 0.00 H new ATOM 0 HA MET A 81 3.355 -4.597 9.604 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.483 -4.712 6.959 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.139 -4.174 6.765 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.889 -6.113 8.147 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.228 -6.668 8.217 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.527 -6.239 4.213 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.015 -4.876 5.236 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.314 -5.962 5.785 1.00 0.00 H new ATOM 1291 N ARG A 82 5.695 -3.712 9.032 1.00 0.00 N ATOM 1292 CA ARG A 82 6.996 -3.096 9.142 1.00 0.00 C ATOM 1293 C ARG A 82 7.995 -4.148 9.563 1.00 0.00 C ATOM 1294 O ARG A 82 8.312 -4.311 10.743 1.00 0.00 O ATOM 1295 CB ARG A 82 7.008 -1.941 10.118 1.00 0.00 C ATOM 1296 CG ARG A 82 8.316 -1.180 10.109 1.00 0.00 C ATOM 1297 CD ARG A 82 8.300 -0.047 11.121 1.00 0.00 C ATOM 1298 NE ARG A 82 7.711 1.175 10.591 1.00 0.00 N ATOM 1299 CZ ARG A 82 7.510 2.267 11.325 1.00 0.00 C ATOM 1300 NH1 ARG A 82 7.829 2.269 12.613 1.00 0.00 N ATOM 1301 NH2 ARG A 82 6.993 3.359 10.778 1.00 0.00 N ATOM 0 H ARG A 82 5.723 -4.729 9.101 1.00 0.00 H new ATOM 0 HA ARG A 82 7.262 -2.684 8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.194 -1.258 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.819 -2.318 11.123 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.137 -1.861 10.334 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.499 -0.778 9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.741 -0.361 12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.320 0.158 11.446 1.00 0.00 H new ATOM 0 HE ARG A 82 7.439 1.195 9.608 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.228 1.434 13.041 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.675 3.106 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.746 3.366 9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.842 4.192 11.347 1.00 0.00 H new ATOM 1315 N ASP A 83 8.476 -4.851 8.570 1.00 0.00 N ATOM 1316 CA ASP A 83 9.417 -5.945 8.770 1.00 0.00 C ATOM 1317 C ASP A 83 10.744 -5.668 8.088 1.00 0.00 C ATOM 1318 O ASP A 83 10.796 -5.034 7.039 1.00 0.00 O ATOM 1319 CB ASP A 83 8.825 -7.245 8.226 1.00 0.00 C ATOM 1320 CG ASP A 83 9.672 -8.455 8.566 1.00 0.00 C ATOM 1321 OD1 ASP A 83 9.508 -9.002 9.677 1.00 0.00 O ATOM 1322 OD2 ASP A 83 10.501 -8.856 7.722 1.00 0.00 O ATOM 0 H ASP A 83 8.231 -4.688 7.593 1.00 0.00 H new ATOM 0 HA ASP A 83 9.597 -6.039 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.823 -7.382 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.723 -7.169 7.143 1.00 0.00 H new ATOM 1327 N TYR A 84 11.814 -6.163 8.685 1.00 0.00 N ATOM 1328 CA TYR A 84 13.145 -5.964 8.142 1.00 0.00 C ATOM 1329 C TYR A 84 13.311 -6.667 6.800 1.00 0.00 C ATOM 1330 O TYR A 84 12.680 -7.689 6.535 1.00 0.00 O ATOM 1331 CB TYR A 84 14.184 -6.464 9.135 1.00 0.00 C ATOM 1332 CG TYR A 84 14.325 -5.544 10.315 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.615 -4.206 10.122 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.151 -6.003 11.610 1.00 0.00 C ATOM 1335 CE1 TYR A 84 14.733 -3.344 11.183 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.269 -5.145 12.688 1.00 0.00 C ATOM 1337 CZ TYR A 84 14.561 -3.815 12.468 1.00 0.00 C ATOM 1338 OH TYR A 84 14.677 -2.955 13.536 1.00 0.00 O ATOM 0 H TYR A 84 11.786 -6.707 9.548 1.00 0.00 H new ATOM 0 HA TYR A 84 13.289 -4.897 7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.904 -7.459 9.482 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.147 -6.561 8.634 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.751 -3.833 9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 84 13.920 -7.044 11.780 1.00 0.00 H new ATOM 0 HE1 TYR A 84 14.959 -2.302 11.013 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.134 -5.513 13.694 1.00 0.00 H new ATOM 0 HH TYR A 84 14.172 -2.135 13.352 1.00 0.00 H new ATOM 1348 N SER A 85 14.173 -6.107 5.960 1.00 0.00 N ATOM 1349 CA SER A 85 14.439 -6.658 4.638 1.00 0.00 C ATOM 1350 C SER A 85 15.853 -6.330 4.198 1.00 0.00 C ATOM 1351 O SER A 85 16.593 -5.648 4.906 1.00 0.00 O ATOM 1352 CB SER A 85 13.435 -6.115 3.618 1.00 0.00 C ATOM 1353 OG SER A 85 12.147 -6.669 3.823 1.00 0.00 O ATOM 0 H SER A 85 14.704 -5.263 6.175 1.00 0.00 H new ATOM 0 HA SER A 85 14.332 -7.741 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.384 -5.029 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.777 -6.346 2.609 1.00 0.00 H new ATOM 0 HG SER A 85 12.148 -7.204 4.644 1.00 0.00 H new ATOM 1359 N ALA A 86 16.224 -6.827 3.029 1.00 0.00 N ATOM 1360 CA ALA A 86 17.555 -6.595 2.493 1.00 0.00 C ATOM 1361 C ALA A 86 17.522 -6.297 1.000 1.00 0.00 C ATOM 1362 O ALA A 86 18.568 -6.161 0.365 1.00 0.00 O ATOM 1363 CB ALA A 86 18.416 -7.811 2.759 1.00 0.00 C ATOM 0 H ALA A 86 15.621 -7.394 2.433 1.00 0.00 H new ATOM 0 HA ALA A 86 17.975 -5.720 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.416 -7.643 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.479 -7.984 3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.974 -8.683 2.276 1.00 0.00 H new ATOM 1369 N TYR A 87 16.322 -6.196 0.442 1.00 0.00 N ATOM 1370 CA TYR A 87 16.171 -5.933 -0.982 1.00 0.00 C ATOM 1371 C TYR A 87 14.758 -5.471 -1.322 1.00 0.00 C ATOM 1372 O TYR A 87 13.781 -5.933 -0.732 1.00 0.00 O ATOM 1373 CB TYR A 87 16.508 -7.196 -1.779 1.00 0.00 C ATOM 1374 CG TYR A 87 15.820 -8.444 -1.263 1.00 0.00 C ATOM 1375 CD1 TYR A 87 16.273 -9.085 -0.115 1.00 0.00 C ATOM 1376 CD2 TYR A 87 14.723 -8.983 -1.924 1.00 0.00 C ATOM 1377 CE1 TYR A 87 15.653 -10.225 0.358 1.00 0.00 C ATOM 1378 CE2 TYR A 87 14.097 -10.123 -1.455 1.00 0.00 C ATOM 1379 CZ TYR A 87 14.566 -10.739 -0.315 1.00 0.00 C ATOM 1380 OH TYR A 87 13.947 -11.875 0.154 1.00 0.00 O ATOM 0 H TYR A 87 15.444 -6.292 0.952 1.00 0.00 H new ATOM 0 HA TYR A 87 16.859 -5.131 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.229 -7.042 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 87 17.587 -7.351 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.124 -8.685 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.353 -8.504 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 87 16.018 -10.711 1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.245 -10.529 -1.980 1.00 0.00 H new ATOM 0 HH TYR A 87 13.197 -12.105 -0.434 1.00 0.00 H new ATOM 1390 N ARG A 88 14.662 -4.552 -2.280 1.00 0.00 N ATOM 1391 CA ARG A 88 13.372 -4.034 -2.721 1.00 0.00 C ATOM 1392 C ARG A 88 12.801 -4.920 -3.821 1.00 0.00 C ATOM 1393 O ARG A 88 13.541 -5.418 -4.671 1.00 0.00 O ATOM 1394 CB ARG A 88 13.511 -2.600 -3.213 1.00 0.00 C ATOM 1395 CG ARG A 88 14.529 -2.472 -4.310 1.00 0.00 C ATOM 1396 CD ARG A 88 14.726 -1.026 -4.738 1.00 0.00 C ATOM 1397 NE ARG A 88 15.310 -0.216 -3.672 1.00 0.00 N ATOM 1398 CZ ARG A 88 15.835 0.991 -3.860 1.00 0.00 C ATOM 1399 NH1 ARG A 88 15.842 1.536 -5.070 1.00 0.00 N ATOM 1400 NH2 ARG A 88 16.354 1.656 -2.837 1.00 0.00 N ATOM 0 H ARG A 88 15.464 -4.151 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 88 12.686 -4.040 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.545 -2.246 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.795 -1.958 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.480 -2.883 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.213 -3.065 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.372 -0.992 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.767 -0.601 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 88 15.315 -0.599 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.444 1.029 -5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.246 2.462 -5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.351 1.242 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.757 2.582 -2.982 1.00 0.00 H new ATOM 1414 N ARG A 89 11.487 -5.117 -3.807 1.00 0.00 N ATOM 1415 CA ARG A 89 10.843 -5.969 -4.800 1.00 0.00 C ATOM 1416 C ARG A 89 10.170 -5.161 -5.907 1.00 0.00 C ATOM 1417 O ARG A 89 10.271 -5.519 -7.078 1.00 0.00 O ATOM 1418 CB ARG A 89 9.833 -6.902 -4.126 1.00 0.00 C ATOM 1419 CG ARG A 89 10.452 -7.809 -3.069 1.00 0.00 C ATOM 1420 CD ARG A 89 11.699 -8.510 -3.591 1.00 0.00 C ATOM 1421 NE ARG A 89 11.476 -9.126 -4.895 1.00 0.00 N ATOM 1422 CZ ARG A 89 12.416 -9.771 -5.579 1.00 0.00 C ATOM 1423 NH1 ARG A 89 13.638 -9.893 -5.078 1.00 0.00 N ATOM 1424 NH2 ARG A 89 12.135 -10.295 -6.763 1.00 0.00 N ATOM 0 H ARG A 89 10.852 -4.702 -3.125 1.00 0.00 H new ATOM 0 HA ARG A 89 11.624 -6.567 -5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 89 9.049 -6.302 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.356 -7.519 -4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.707 -7.220 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.721 -8.553 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.515 -7.791 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.011 -9.273 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 89 10.545 -9.058 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.858 -9.492 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.358 -10.388 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.196 -10.204 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.858 -10.789 -7.286 1.00 0.00 H new ATOM 1438 N PHE A 90 9.495 -4.072 -5.547 1.00 0.00 N ATOM 1439 CA PHE A 90 8.820 -3.244 -6.546 1.00 0.00 C ATOM 1440 C PHE A 90 9.811 -2.325 -7.256 1.00 0.00 C ATOM 1441 O PHE A 90 9.463 -1.213 -7.654 1.00 0.00 O ATOM 1442 CB PHE A 90 7.706 -2.410 -5.906 1.00 0.00 C ATOM 1443 CG PHE A 90 6.563 -3.229 -5.372 1.00 0.00 C ATOM 1444 CD1 PHE A 90 5.494 -3.569 -6.188 1.00 0.00 C ATOM 1445 CD2 PHE A 90 6.560 -3.661 -4.057 1.00 0.00 C ATOM 1446 CE1 PHE A 90 4.444 -4.324 -5.700 1.00 0.00 C ATOM 1447 CE2 PHE A 90 5.512 -4.416 -3.562 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.454 -4.748 -4.386 1.00 0.00 C ATOM 0 H PHE A 90 9.401 -3.745 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 90 8.377 -3.915 -7.281 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.129 -1.820 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.322 -1.706 -6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.482 -3.240 -7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.386 -3.406 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.617 -4.582 -6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.521 -4.745 -2.533 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.635 -5.339 -4.003 1.00 0.00 H new ATOM 1458 N HIS A 91 11.047 -2.800 -7.415 1.00 0.00 N ATOM 1459 CA HIS A 91 12.092 -2.027 -8.081 1.00 0.00 C ATOM 1460 C HIS A 91 11.599 -1.490 -9.422 1.00 0.00 C ATOM 1461 O HIS A 91 11.081 -2.241 -10.249 1.00 0.00 O ATOM 1462 CB HIS A 91 13.338 -2.892 -8.286 1.00 0.00 C ATOM 1463 CG HIS A 91 14.461 -2.179 -8.972 1.00 0.00 C ATOM 1464 ND1 HIS A 91 14.542 -2.045 -10.343 1.00 0.00 N ATOM 1465 CD2 HIS A 91 15.557 -1.561 -8.471 1.00 0.00 C ATOM 1466 CE1 HIS A 91 15.637 -1.375 -10.654 1.00 0.00 C ATOM 1467 NE2 HIS A 91 16.270 -1.070 -9.536 1.00 0.00 N ATOM 0 H HIS A 91 11.348 -3.719 -7.090 1.00 0.00 H new ATOM 0 HA HIS A 91 12.348 -1.179 -7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.685 -3.249 -7.316 1.00 0.00 H new ATOM 0 HB3 HIS A 91 13.067 -3.771 -8.871 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.821 -1.471 -7.428 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.960 -1.120 -11.653 1.00 0.00 H new ATOM 0 HE2 HIS A 91 17.147 -0.553 -9.474 1.00 0.00 H new ATOM 1476 N GLY A 92 11.768 -0.188 -9.628 1.00 0.00 N ATOM 1477 CA GLY A 92 11.327 0.433 -10.863 1.00 0.00 C ATOM 1478 C GLY A 92 9.991 1.132 -10.704 1.00 0.00 C ATOM 1479 O GLY A 92 9.545 1.850 -11.599 1.00 0.00 O ATOM 0 H GLY A 92 12.203 0.449 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.075 1.153 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.248 -0.325 -11.642 1.00 0.00 H new ATOM 1483 N THR A 93 9.356 0.918 -9.556 1.00 0.00 N ATOM 1484 CA THR A 93 8.063 1.529 -9.266 1.00 0.00 C ATOM 1485 C THR A 93 8.023 2.046 -7.831 1.00 0.00 C ATOM 1486 O THR A 93 7.544 1.360 -6.926 1.00 0.00 O ATOM 1487 CB THR A 93 6.909 0.529 -9.474 1.00 0.00 C ATOM 1488 OG1 THR A 93 7.123 -0.223 -10.674 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.574 1.255 -9.562 1.00 0.00 C ATOM 0 H THR A 93 9.717 0.324 -8.809 1.00 0.00 H new ATOM 0 HA THR A 93 7.936 2.361 -9.959 1.00 0.00 H new ATOM 0 HB THR A 93 6.885 -0.146 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.386 -0.857 -10.798 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.774 0.529 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.398 1.807 -8.639 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.592 1.950 -10.402 1.00 0.00 H new ATOM 1497 N GLY A 94 8.535 3.259 -7.631 1.00 0.00 N ATOM 1498 CA GLY A 94 8.559 3.856 -6.306 1.00 0.00 C ATOM 1499 C GLY A 94 7.214 3.789 -5.604 1.00 0.00 C ATOM 1500 O GLY A 94 7.148 3.552 -4.398 1.00 0.00 O ATOM 0 H GLY A 94 8.935 3.841 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.307 3.348 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.869 4.898 -6.388 1.00 0.00 H new ATOM 1504 N MET A 95 6.144 3.997 -6.364 1.00 0.00 N ATOM 1505 CA MET A 95 4.792 3.963 -5.816 1.00 0.00 C ATOM 1506 C MET A 95 3.762 3.868 -6.941 1.00 0.00 C ATOM 1507 O MET A 95 3.889 4.547 -7.960 1.00 0.00 O ATOM 1508 CB MET A 95 4.545 5.209 -4.959 1.00 0.00 C ATOM 1509 CG MET A 95 3.211 5.206 -4.230 1.00 0.00 C ATOM 1510 SD MET A 95 2.644 3.553 -3.777 1.00 0.00 S ATOM 1511 CE MET A 95 4.041 2.904 -2.852 1.00 0.00 C ATOM 0 H MET A 95 6.187 4.192 -7.364 1.00 0.00 H new ATOM 0 HA MET A 95 4.688 3.080 -5.186 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.347 5.298 -4.226 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.597 6.092 -5.597 1.00 0.00 H new ATOM 0 HG2 MET A 95 3.297 5.812 -3.328 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.459 5.679 -4.862 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.755 1.970 -2.369 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.874 2.721 -3.531 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.343 3.627 -2.094 1.00 0.00 H new ATOM 1521 N ARG A 96 2.743 3.026 -6.757 1.00 0.00 N ATOM 1522 CA ARG A 96 1.718 2.847 -7.780 1.00 0.00 C ATOM 1523 C ARG A 96 0.388 2.415 -7.170 1.00 0.00 C ATOM 1524 O ARG A 96 0.225 1.265 -6.781 1.00 0.00 O ATOM 1525 CB ARG A 96 2.184 1.803 -8.788 1.00 0.00 C ATOM 1526 CG ARG A 96 1.793 2.116 -10.219 1.00 0.00 C ATOM 1527 CD ARG A 96 0.324 1.820 -10.474 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.132 2.367 -11.747 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.307 2.077 -12.296 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -2.140 1.242 -11.688 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -1.652 2.621 -13.456 1.00 0.00 N ATOM 0 H ARG A 96 2.608 2.464 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 96 1.564 3.804 -8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.269 1.713 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.769 0.834 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.996 3.166 -10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.407 1.529 -10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.165 0.742 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.275 2.237 -9.665 1.00 0.00 H new ATOM 0 HE ARG A 96 0.486 3.008 -12.244 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.879 0.821 -10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.041 1.022 -12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.015 3.263 -13.928 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.554 2.397 -13.876 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.569 3.337 -7.110 1.00 0.00 N ATOM 1546 CA ILE A 97 -1.882 3.050 -6.556 1.00 0.00 C ATOM 1547 C ILE A 97 -2.604 1.969 -7.355 1.00 0.00 C ATOM 1548 O ILE A 97 -2.268 1.701 -8.509 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.742 4.330 -6.522 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.827 4.235 -5.442 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.348 4.606 -7.888 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.173 3.740 -5.929 1.00 0.00 C ATOM 0 H ILE A 97 -0.455 4.295 -7.442 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.735 2.683 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.094 5.168 -6.266 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.476 3.570 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.959 5.220 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.951 5.513 -7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.551 4.737 -8.620 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.978 3.767 -8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.873 3.707 -5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.554 4.416 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.063 2.740 -6.349 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.596 1.358 -6.725 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.391 0.326 -7.355 1.00 0.00 C ATOM 1566 C LEU A 98 -5.875 0.610 -7.184 1.00 0.00 C ATOM 1567 O LEU A 98 -6.496 0.147 -6.228 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.075 -1.058 -6.784 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.455 -2.196 -7.722 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.618 -2.100 -8.979 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.298 -3.557 -7.060 1.00 0.00 C ATOM 0 H LEU A 98 -3.869 1.566 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.138 0.331 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.009 -1.118 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.603 -1.183 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.510 -2.098 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.884 -2.912 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.804 -1.144 -9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.562 -2.175 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.580 -4.339 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.260 -3.697 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.942 -3.611 -6.182 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.430 1.387 -8.105 1.00 0.00 N ATOM 1584 CA ASP A 99 -7.839 1.718 -8.078 1.00 0.00 C ATOM 1585 C ASP A 99 -8.676 0.447 -8.152 1.00 0.00 C ATOM 1586 O ASP A 99 -9.109 0.039 -9.229 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.166 2.636 -9.253 1.00 0.00 C ATOM 1588 CG ASP A 99 -6.939 3.017 -10.061 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -6.450 2.167 -10.835 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -6.468 4.164 -9.920 1.00 0.00 O ATOM 0 H ASP A 99 -5.917 1.800 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.073 2.232 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.886 2.141 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.644 3.541 -8.879 1.00 0.00 H new ATOM 1595 N LEU A 100 -8.891 -0.177 -6.998 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.654 -1.416 -6.928 1.00 0.00 C ATOM 1597 C LEU A 100 -11.060 -1.239 -7.484 1.00 0.00 C ATOM 1598 O LEU A 100 -11.692 -2.207 -7.906 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.718 -1.929 -5.487 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.364 -2.050 -4.793 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.535 -2.554 -3.369 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.450 -2.965 -5.591 1.00 0.00 C ATOM 0 H LEU A 100 -8.546 0.157 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.139 -2.153 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.351 -1.259 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.201 -2.906 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.904 -1.063 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.558 -2.633 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.157 -1.857 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.012 -3.534 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.486 -3.045 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.902 -3.954 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.305 -2.553 -6.590 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.551 -0.003 -7.474 1.00 0.00 N ATOM 1615 CA ARG A 101 -12.876 0.289 -8.003 1.00 0.00 C ATOM 1616 C ARG A 101 -12.977 -0.208 -9.439 1.00 0.00 C ATOM 1617 O ARG A 101 -14.066 -0.328 -10.001 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.143 1.792 -7.944 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.129 2.350 -6.532 1.00 0.00 C ATOM 1620 CD ARG A 101 -14.434 2.066 -5.807 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.573 2.699 -6.466 1.00 0.00 N ATOM 1622 CZ ARG A 101 -16.786 2.776 -5.928 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -17.017 2.257 -4.729 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -17.768 3.371 -6.590 1.00 0.00 N ATOM 0 H ARG A 101 -11.053 0.808 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.624 -0.222 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.392 2.311 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.111 2.000 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.300 1.913 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.958 3.426 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.595 0.989 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.364 2.424 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.430 3.105 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.263 1.798 -4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.949 2.317 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.593 3.770 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -18.699 3.430 -6.177 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.816 -0.495 -10.021 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.733 -0.988 -11.383 1.00 0.00 C ATOM 1640 C LEU A 102 -11.627 -2.511 -11.409 1.00 0.00 C ATOM 1641 O LEU A 102 -12.296 -3.170 -12.205 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.521 -0.374 -12.074 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.432 1.150 -11.985 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.066 1.628 -12.440 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.529 1.805 -12.810 1.00 0.00 C ATOM 0 H LEU A 102 -10.912 -0.391 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.643 -0.701 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.618 -0.802 -11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.536 -0.662 -13.125 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.572 1.440 -10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.019 2.715 -12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.297 1.190 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.899 1.323 -13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.445 2.889 -12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.426 1.508 -13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.503 1.488 -12.437 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.786 -3.068 -10.535 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.602 -4.516 -10.482 1.00 0.00 C ATOM 1659 C PHE A 103 -11.418 -5.139 -9.355 1.00 0.00 C ATOM 1660 O PHE A 103 -12.458 -4.613 -8.958 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.120 -4.859 -10.300 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.196 -3.735 -10.652 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.820 -3.507 -11.965 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.706 -2.904 -9.664 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -6.966 -2.468 -12.283 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -6.857 -1.867 -9.972 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.482 -1.647 -11.283 1.00 0.00 C ATOM 0 H PHE A 103 -10.228 -2.543 -9.862 1.00 0.00 H new ATOM 0 HA PHE A 103 -10.954 -4.929 -11.427 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.948 -5.149 -9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.878 -5.724 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.198 -4.147 -12.748 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.993 -3.071 -8.636 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.678 -2.298 -13.310 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.483 -1.224 -9.189 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.812 -0.835 -11.526 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.931 -6.264 -8.847 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.590 -6.986 -7.771 1.00 0.00 C ATOM 1679 C GLU A 104 -10.552 -7.727 -6.947 1.00 0.00 C ATOM 1680 O GLU A 104 -9.384 -7.356 -6.936 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.622 -7.963 -8.340 1.00 0.00 C ATOM 1682 CG GLU A 104 -12.060 -8.893 -9.403 1.00 0.00 C ATOM 1683 CD GLU A 104 -13.082 -9.899 -9.896 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -13.935 -9.519 -10.725 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -13.029 -11.066 -9.454 1.00 0.00 O ATOM 0 H GLU A 104 -10.068 -6.700 -9.171 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.112 -6.276 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.031 -8.561 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.450 -7.396 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.702 -8.302 -10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.199 -9.424 -8.998 1.00 0.00 H new ATOM 1692 N THR A 105 -10.978 -8.761 -6.246 1.00 0.00 N ATOM 1693 CA THR A 105 -10.053 -9.540 -5.437 1.00 0.00 C ATOM 1694 C THR A 105 -8.990 -10.202 -6.309 1.00 0.00 C ATOM 1695 O THR A 105 -7.795 -9.961 -6.139 1.00 0.00 O ATOM 1696 CB THR A 105 -10.785 -10.626 -4.627 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.604 -10.024 -3.618 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.788 -11.575 -3.984 1.00 0.00 C ATOM 0 H THR A 105 -11.946 -9.080 -6.218 1.00 0.00 H new ATOM 0 HA THR A 105 -9.576 -8.846 -4.745 1.00 0.00 H new ATOM 0 HB THR A 105 -11.419 -11.193 -5.308 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.167 -9.213 -3.283 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.324 -12.335 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.191 -12.055 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.133 -11.016 -3.315 1.00 0.00 H new ATOM 1706 N ASP A 106 -9.429 -11.030 -7.248 1.00 0.00 N ATOM 1707 CA ASP A 106 -8.510 -11.726 -8.141 1.00 0.00 C ATOM 1708 C ASP A 106 -8.020 -10.795 -9.239 1.00 0.00 C ATOM 1709 O ASP A 106 -6.963 -11.012 -9.827 1.00 0.00 O ATOM 1710 CB ASP A 106 -9.193 -12.947 -8.758 1.00 0.00 C ATOM 1711 CG ASP A 106 -8.254 -13.757 -9.631 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -7.505 -14.592 -9.082 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -8.269 -13.558 -10.864 1.00 0.00 O ATOM 0 H ASP A 106 -10.414 -11.236 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.651 -12.057 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.583 -13.582 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.046 -12.621 -9.353 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.797 -9.755 -9.502 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.432 -8.794 -10.530 1.00 0.00 C ATOM 1720 C GLY A 107 -7.307 -7.884 -10.085 1.00 0.00 C ATOM 1721 O GLY A 107 -6.295 -7.749 -10.774 1.00 0.00 O ATOM 0 H GLY A 107 -9.675 -9.556 -9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.132 -9.326 -11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.303 -8.193 -10.789 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.488 -7.258 -8.928 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.488 -6.360 -8.370 1.00 0.00 C ATOM 1727 C ALA A 108 -5.195 -7.107 -8.090 1.00 0.00 C ATOM 1728 O ALA A 108 -4.118 -6.654 -8.458 1.00 0.00 O ATOM 1729 CB ALA A 108 -7.014 -5.723 -7.098 1.00 0.00 C ATOM 0 H ALA A 108 -8.326 -7.358 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.280 -5.576 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.259 -5.053 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.918 -5.157 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.243 -6.501 -6.369 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.301 -8.248 -7.423 1.00 0.00 N ATOM 1736 CA LEU A 109 -4.129 -9.049 -7.125 1.00 0.00 C ATOM 1737 C LEU A 109 -3.384 -9.344 -8.419 1.00 0.00 C ATOM 1738 O LEU A 109 -2.153 -9.268 -8.485 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.559 -10.340 -6.441 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.643 -10.839 -5.315 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.279 -9.708 -4.361 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.316 -11.967 -4.552 1.00 0.00 C ATOM 0 H LEU A 109 -6.181 -8.635 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.463 -8.507 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.559 -10.196 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.632 -11.122 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.724 -11.212 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.630 -10.091 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.760 -8.922 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.187 -9.301 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.656 -12.312 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.249 -11.607 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.526 -12.792 -5.233 1.00 0.00 H new ATOM 1754 N GLU A 110 -4.155 -9.671 -9.449 1.00 0.00 N ATOM 1755 CA GLU A 110 -3.598 -9.948 -10.766 1.00 0.00 C ATOM 1756 C GLU A 110 -2.815 -8.743 -11.271 1.00 0.00 C ATOM 1757 O GLU A 110 -1.840 -8.892 -12.000 1.00 0.00 O ATOM 1758 CB GLU A 110 -4.704 -10.299 -11.759 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.956 -11.791 -11.892 1.00 0.00 C ATOM 1760 CD GLU A 110 -6.003 -12.110 -12.942 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -7.201 -11.879 -12.675 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -5.624 -12.590 -14.032 1.00 0.00 O ATOM 0 H GLU A 110 -5.171 -9.751 -9.397 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.925 -10.801 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.627 -9.810 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.443 -9.895 -12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.023 -12.293 -12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.277 -12.189 -10.930 1.00 0.00 H new ATOM 1769 N GLU A 111 -3.260 -7.547 -10.882 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.591 -6.310 -11.279 1.00 0.00 C ATOM 1771 C GLU A 111 -1.162 -6.296 -10.760 1.00 0.00 C ATOM 1772 O GLU A 111 -0.202 -6.171 -11.528 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.339 -5.098 -10.732 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.673 -4.843 -11.404 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.546 -4.636 -12.901 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -4.149 -3.526 -13.316 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.847 -5.582 -13.658 1.00 0.00 O ATOM 0 H GLU A 111 -4.081 -7.410 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.582 -6.262 -12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.503 -5.237 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.711 -4.214 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.338 -5.685 -11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.137 -3.963 -10.958 1.00 0.00 H new ATOM 1784 N ILE A 112 -1.033 -6.405 -9.442 1.00 0.00 N ATOM 1785 CA ILE A 112 0.276 -6.434 -8.804 1.00 0.00 C ATOM 1786 C ILE A 112 1.197 -7.405 -9.530 1.00 0.00 C ATOM 1787 O ILE A 112 2.401 -7.179 -9.622 1.00 0.00 O ATOM 1788 CB ILE A 112 0.186 -6.832 -7.317 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.667 -5.825 -6.553 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.574 -6.933 -6.699 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -2.087 -6.286 -6.345 1.00 0.00 C ATOM 0 H ILE A 112 -1.819 -6.475 -8.796 1.00 0.00 H new ATOM 0 HA ILE A 112 0.682 -5.424 -8.861 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.286 -7.812 -7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.209 -5.632 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.675 -4.880 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.485 -7.215 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.155 -7.688 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.077 -5.969 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.640 -5.524 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.561 -6.452 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.088 -7.216 -5.777 1.00 0.00 H new ATOM 1803 N LEU A 113 0.618 -8.485 -10.048 1.00 0.00 N ATOM 1804 CA LEU A 113 1.378 -9.481 -10.783 1.00 0.00 C ATOM 1805 C LEU A 113 1.643 -9.025 -12.209 1.00 0.00 C ATOM 1806 O LEU A 113 2.660 -9.381 -12.802 1.00 0.00 O ATOM 1807 CB LEU A 113 0.625 -10.794 -10.792 1.00 0.00 C ATOM 1808 CG LEU A 113 0.612 -11.579 -9.477 1.00 0.00 C ATOM 1809 CD1 LEU A 113 1.055 -10.726 -8.291 1.00 0.00 C ATOM 1810 CD2 LEU A 113 -0.776 -12.119 -9.259 1.00 0.00 C ATOM 0 H LEU A 113 -0.378 -8.689 -9.970 1.00 0.00 H new ATOM 0 HA LEU A 113 2.339 -9.615 -10.286 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.407 -10.594 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.056 -11.430 -11.566 1.00 0.00 H new ATOM 0 HG LEU A 113 1.328 -12.398 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.029 -11.326 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.070 -10.367 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.382 -9.875 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.805 -12.682 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.484 -11.292 -9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.045 -12.775 -10.087 1.00 0.00 H new ATOM 2019 N ARG A 127 4.832 -11.616 4.308 1.00 0.00 N ATOM 2020 CA ARG A 127 4.141 -10.737 5.249 1.00 0.00 C ATOM 2021 C ARG A 127 3.379 -9.622 4.538 1.00 0.00 C ATOM 2022 O ARG A 127 2.277 -9.259 4.947 1.00 0.00 O ATOM 2023 CB ARG A 127 5.143 -10.125 6.230 1.00 0.00 C ATOM 2024 CG ARG A 127 5.624 -11.087 7.302 1.00 0.00 C ATOM 2025 CD ARG A 127 4.500 -11.462 8.257 1.00 0.00 C ATOM 2026 NE ARG A 127 4.988 -12.243 9.390 1.00 0.00 N ATOM 2027 CZ ARG A 127 4.207 -12.692 10.369 1.00 0.00 C ATOM 2028 NH1 ARG A 127 2.903 -12.447 10.346 1.00 0.00 N ATOM 2029 NH2 ARG A 127 4.729 -13.389 11.369 1.00 0.00 N ATOM 0 HA ARG A 127 3.417 -11.347 5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.005 -9.759 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.684 -9.261 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.021 -11.988 6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.442 -10.632 7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.016 -10.556 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.743 -12.034 7.720 1.00 0.00 H new ATOM 0 HE ARG A 127 5.984 -12.457 9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.498 -11.914 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.306 -12.792 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.730 -13.581 11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.129 -13.733 12.119 1.00 0.00 H new ATOM 2043 N MET A 128 3.970 -9.074 3.480 1.00 0.00 N ATOM 2044 CA MET A 128 3.336 -7.999 2.732 1.00 0.00 C ATOM 2045 C MET A 128 2.108 -8.508 1.994 1.00 0.00 C ATOM 2046 O MET A 128 1.071 -7.851 1.977 1.00 0.00 O ATOM 2047 CB MET A 128 4.330 -7.368 1.747 1.00 0.00 C ATOM 2048 CG MET A 128 3.695 -6.880 0.453 1.00 0.00 C ATOM 2049 SD MET A 128 4.272 -7.783 -0.994 1.00 0.00 S ATOM 2050 CE MET A 128 2.717 -8.398 -1.631 1.00 0.00 C ATOM 0 H MET A 128 4.883 -9.357 3.124 1.00 0.00 H new ATOM 0 HA MET A 128 3.018 -7.234 3.440 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.826 -6.529 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.102 -8.099 1.507 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.612 -6.976 0.527 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.913 -5.820 0.324 1.00 0.00 H new ATOM 0 HE1 MET A 128 2.697 -9.485 -1.554 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.895 -7.978 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 128 2.611 -8.107 -2.676 1.00 0.00 H new ATOM 2060 N PHE A 129 2.235 -9.675 1.382 1.00 0.00 N ATOM 2061 CA PHE A 129 1.134 -10.264 0.631 1.00 0.00 C ATOM 2062 C PHE A 129 -0.022 -10.618 1.554 1.00 0.00 C ATOM 2063 O PHE A 129 -1.181 -10.597 1.143 1.00 0.00 O ATOM 2064 CB PHE A 129 1.605 -11.502 -0.129 1.00 0.00 C ATOM 2065 CG PHE A 129 0.556 -12.078 -1.037 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.175 -11.406 -2.187 1.00 0.00 C ATOM 2067 CD2 PHE A 129 -0.051 -13.287 -0.740 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.790 -11.929 -3.025 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -1.018 -13.817 -1.573 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.388 -13.137 -2.718 1.00 0.00 C ATOM 0 H PHE A 129 3.088 -10.234 1.390 1.00 0.00 H new ATOM 0 HA PHE A 129 0.783 -9.526 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.484 -11.244 -0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.913 -12.264 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.638 -10.461 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.235 -13.822 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.077 -11.395 -3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.484 -14.761 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.143 -13.549 -3.372 1.00 0.00 H new ATOM 2080 N ARG A 130 0.298 -10.957 2.797 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.726 -11.290 3.774 1.00 0.00 C ATOM 2082 C ARG A 130 -1.723 -10.145 3.875 1.00 0.00 C ATOM 2083 O ARG A 130 -2.931 -10.357 3.971 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.085 -11.551 5.137 1.00 0.00 C ATOM 2085 CG ARG A 130 0.881 -12.723 5.137 1.00 0.00 C ATOM 2086 CD ARG A 130 0.148 -14.043 5.321 1.00 0.00 C ATOM 2087 NE ARG A 130 1.060 -15.139 5.637 1.00 0.00 N ATOM 2088 CZ ARG A 130 0.680 -16.409 5.742 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -0.588 -16.745 5.542 1.00 0.00 N ATOM 2090 NH2 ARG A 130 1.569 -17.346 6.048 1.00 0.00 N ATOM 0 H ARG A 130 1.254 -11.008 3.149 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.247 -12.193 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.444 -10.654 5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.870 -11.738 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.435 -12.740 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.611 -12.595 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.586 -13.941 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.403 -14.281 4.411 1.00 0.00 H new ATOM 0 HE ARG A 130 2.045 -14.918 5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -1.275 -16.028 5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.876 -17.720 5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 130 2.545 -17.092 6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.276 -18.320 6.128 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.191 -8.929 3.849 1.00 0.00 N ATOM 2105 CA LEU A 131 -1.991 -7.725 3.917 1.00 0.00 C ATOM 2106 C LEU A 131 -2.536 -7.364 2.540 1.00 0.00 C ATOM 2107 O LEU A 131 -3.727 -7.100 2.379 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.128 -6.588 4.445 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.258 -6.945 5.640 1.00 0.00 C ATOM 2110 CD1 LEU A 131 0.924 -6.004 5.721 1.00 0.00 C ATOM 2111 CD2 LEU A 131 -1.068 -6.897 6.922 1.00 0.00 C ATOM 0 H LEU A 131 -0.188 -8.756 3.780 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.835 -7.893 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.485 -6.235 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.777 -5.757 4.722 1.00 0.00 H new ATOM 0 HG LEU A 131 0.114 -7.962 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.541 -6.268 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.517 -6.085 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.567 -4.980 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.429 -7.155 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.467 -5.892 7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.891 -7.609 6.859 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.639 -7.344 1.558 1.00 0.00 N ATOM 2124 CA LEU A 132 -1.992 -7.023 0.180 1.00 0.00 C ATOM 2125 C LEU A 132 -3.244 -7.767 -0.256 1.00 0.00 C ATOM 2126 O LEU A 132 -4.246 -7.163 -0.639 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.842 -7.416 -0.745 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.861 -6.747 -2.112 1.00 0.00 C ATOM 2129 CD1 LEU A 132 0.013 -5.505 -2.101 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.399 -7.728 -3.175 1.00 0.00 C ATOM 0 H LEU A 132 -0.649 -7.549 1.695 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.182 -5.951 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.100 -7.175 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.861 -8.497 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.881 -6.441 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.009 -5.036 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.361 -4.803 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.038 -5.783 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.415 -7.242 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.616 -8.057 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -1.065 -8.591 -3.188 1.00 0.00 H new ATOM 2142 N SER A 133 -3.168 -9.086 -0.191 1.00 0.00 N ATOM 2143 CA SER A 133 -4.270 -9.946 -0.578 1.00 0.00 C ATOM 2144 C SER A 133 -5.442 -9.803 0.383 1.00 0.00 C ATOM 2145 O SER A 133 -6.567 -10.150 0.045 1.00 0.00 O ATOM 2146 CB SER A 133 -3.787 -11.392 -0.645 1.00 0.00 C ATOM 2147 OG SER A 133 -3.658 -11.953 0.650 1.00 0.00 O ATOM 0 H SER A 133 -2.341 -9.589 0.131 1.00 0.00 H new ATOM 0 HA SER A 133 -4.624 -9.645 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.488 -11.985 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 133 -2.827 -11.433 -1.159 1.00 0.00 H new ATOM 0 HG SER A 133 -2.841 -11.616 1.073 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.174 -9.299 1.583 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.225 -9.099 2.576 1.00 0.00 C ATOM 2155 C ALA A 134 -7.064 -7.869 2.241 1.00 0.00 C ATOM 2156 O ALA A 134 -8.249 -7.806 2.561 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.627 -8.978 3.962 1.00 0.00 C ATOM 0 H ALA A 134 -4.242 -9.022 1.891 1.00 0.00 H new ATOM 0 HA ALA A 134 -6.882 -9.969 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.424 -8.829 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.080 -9.890 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -4.945 -8.128 3.991 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.440 -6.881 1.618 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.154 -5.676 1.220 1.00 0.00 C ATOM 2165 C PHE A 135 -7.823 -5.931 -0.117 1.00 0.00 C ATOM 2166 O PHE A 135 -8.869 -5.370 -0.433 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.197 -4.488 1.117 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.880 -3.162 0.951 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.367 -2.470 2.050 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -6.994 -2.588 -0.301 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -7.963 -1.230 1.895 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.577 -1.351 -0.461 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.064 -0.669 0.636 1.00 0.00 C ATOM 0 H PHE A 135 -5.449 -6.888 1.378 1.00 0.00 H new ATOM 0 HA PHE A 135 -7.905 -5.433 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.578 -4.456 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.527 -4.647 0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.280 -2.902 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.621 -3.117 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.348 -0.703 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.653 -0.914 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.523 0.301 0.511 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.197 -6.799 -0.893 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.704 -7.185 -2.189 1.00 0.00 C ATOM 2185 C ILE A 136 -8.919 -8.088 -2.001 1.00 0.00 C ATOM 2186 O ILE A 136 -9.889 -8.033 -2.755 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.596 -7.941 -2.967 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.130 -7.142 -4.180 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -7.046 -9.333 -3.372 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.788 -6.482 -3.967 1.00 0.00 C ATOM 0 H ILE A 136 -6.321 -7.254 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 136 -7.997 -6.300 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.747 -8.054 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.071 -7.804 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.872 -6.378 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.243 -9.831 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.293 -9.909 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.925 -9.259 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.509 -5.928 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.850 -5.797 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -4.036 -7.244 -3.762 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.835 -8.910 -0.962 1.00 0.00 N ATOM 2203 CA ALA A 137 -9.873 -9.872 -0.622 1.00 0.00 C ATOM 2204 C ALA A 137 -10.954 -9.285 0.281 1.00 0.00 C ATOM 2205 O ALA A 137 -12.137 -9.285 -0.061 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.227 -11.062 0.069 1.00 0.00 C ATOM 0 H ALA A 137 -8.037 -8.927 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.363 -10.172 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -9.994 -11.792 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.501 -11.522 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.722 -10.727 0.975 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.532 -8.784 1.436 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.449 -8.244 2.432 1.00 0.00 C ATOM 2214 C ASP A 138 -11.636 -6.735 2.312 1.00 0.00 C ATOM 2215 O ASP A 138 -12.641 -6.197 2.781 1.00 0.00 O ATOM 2216 CB ASP A 138 -10.942 -8.600 3.829 1.00 0.00 C ATOM 2217 CG ASP A 138 -11.605 -7.785 4.923 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -12.729 -8.143 5.332 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -10.999 -6.789 5.371 1.00 0.00 O ATOM 0 H ASP A 138 -9.550 -8.741 1.707 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.426 -8.694 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -11.118 -9.660 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -9.864 -8.444 3.869 1.00 0.00 H new