USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 915 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 25 HIS : no HD1:sc= -8.44! C(o=-7.8!,f=-12!) USER MOD Set 1.2: A 114 SER OG : rot 39:sc= 0.637 USER MOD Set 2.1: A 60 HIS : no HE2:sc= -0.3 K(o=0.49,f=-3.2!) USER MOD Set 2.2: A 71 CYS SG : rot 14:sc= 0.0905 USER MOD Set 2.3: A 73 THR OG1 : rot -136:sc= 0.7 USER MOD Set 3.1: A 69 TYR OH : rot -157:sc= 0.0786 USER MOD Set 3.2: A 94 GLN :FLIP amide:sc= -1.35 F(o=-2.4!,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0171 (180deg=-0.208) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot 81:sc= 1.09 USER MOD Single : A 38 GLN : amide:sc= -0.157 K(o=-0.16,f=-3.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.18! C(o=-1.2!,f=-2!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 52:sc= 0.364 USER MOD Single : A 54 HIS : no HD1:sc= -0.0871 X(o=-0.087,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.32) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 63 CYS SG : rot -123:sc= 0.188 USER MOD Single : A 64 GLN : amide:sc= -0.444 K(o=-0.44,f=-2.5) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 87 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.5) USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= -1.14 (180deg=-1.24) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 91:sc= 1.1 USER MOD Single : A 96 THR OG1 : rot 84:sc=0.000496 USER MOD Single : A 97 TYR OH : rot 165:sc= -0.393 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -1.07 F(o=-3!,f=-1.1) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -179:sc= -0.248 (180deg=-0.266) USER MOD Single : A 110 ASN : amide:sc= 0.438 K(o=0.44,f=-4.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -48:sc= 0.822 USER MOD Single : A 120 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.3) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.00092) USER MOD Single : A 124 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.308 7.618 6.737 1.00 0.00 N ATOM 94 CA ILE A 10 -2.232 6.917 5.461 1.00 0.00 C ATOM 95 C ILE A 10 -3.427 7.255 4.576 1.00 0.00 C ATOM 96 O ILE A 10 -4.566 7.301 5.043 1.00 0.00 O ATOM 97 CB ILE A 10 -2.171 5.391 5.661 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.986 5.019 6.555 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.069 4.685 4.317 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.213 3.763 7.367 1.00 0.00 C ATOM 0 HA ILE A 10 -1.316 7.249 4.972 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.088 5.066 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.100 4.885 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.778 5.847 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.027 3.607 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.941 4.929 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.166 5.012 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.333 3.560 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.079 3.900 8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.391 2.923 6.696 1.00 0.00 H new ATOM 112 N LEU A 11 -3.160 7.489 3.296 1.00 0.00 N ATOM 113 CA LEU A 11 -4.214 7.821 2.343 1.00 0.00 C ATOM 114 C LEU A 11 -4.229 6.832 1.181 1.00 0.00 C ATOM 115 O LEU A 11 -5.283 6.323 0.800 1.00 0.00 O ATOM 116 CB LEU A 11 -4.021 9.243 1.814 1.00 0.00 C ATOM 117 CG LEU A 11 -3.997 10.353 2.867 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.497 11.654 2.259 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.380 10.542 3.473 1.00 0.00 C ATOM 0 H LEU A 11 -2.223 7.455 2.894 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.171 7.759 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.085 9.278 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.822 9.458 1.106 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.311 10.060 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.487 12.432 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.488 11.511 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.158 11.953 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.345 11.335 4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.087 10.813 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.700 9.613 3.945 1.00 0.00 H new ATOM 131 N PHE A 12 -3.052 6.564 0.625 1.00 0.00 N ATOM 132 CA PHE A 12 -2.930 5.635 -0.493 1.00 0.00 C ATOM 133 C PHE A 12 -2.291 4.324 -0.043 1.00 0.00 C ATOM 134 O PHE A 12 -1.289 4.323 0.672 1.00 0.00 O ATOM 135 CB PHE A 12 -2.100 6.261 -1.615 1.00 0.00 C ATOM 136 CG PHE A 12 -2.246 5.556 -2.934 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.252 5.914 -3.818 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.378 4.536 -3.289 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.389 5.267 -5.031 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.511 3.886 -4.502 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.517 4.252 -5.374 1.00 0.00 C ATOM 0 H PHE A 12 -2.170 6.976 0.930 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.931 5.421 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.394 7.304 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.049 6.257 -1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.936 6.707 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.589 4.246 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.177 5.555 -5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.828 3.092 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.622 3.746 -6.322 1.00 0.00 H new ATOM 151 N ALA A 13 -2.878 3.210 -0.467 1.00 0.00 N ATOM 152 CA ALA A 13 -2.366 1.893 -0.110 1.00 0.00 C ATOM 153 C ALA A 13 -2.890 0.824 -1.063 1.00 0.00 C ATOM 154 O ALA A 13 -4.085 0.528 -1.085 1.00 0.00 O ATOM 155 CB ALA A 13 -2.741 1.553 1.325 1.00 0.00 C ATOM 0 H ALA A 13 -3.709 3.193 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.280 1.917 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.352 0.567 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.313 2.296 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.826 1.553 1.427 1.00 0.00 H new ATOM 161 N VAL A 14 -1.988 0.247 -1.851 1.00 0.00 N ATOM 162 CA VAL A 14 -2.359 -0.790 -2.806 1.00 0.00 C ATOM 163 C VAL A 14 -1.352 -1.935 -2.793 1.00 0.00 C ATOM 164 O VAL A 14 -0.235 -1.789 -2.296 1.00 0.00 O ATOM 165 CB VAL A 14 -2.459 -0.226 -4.236 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.314 1.031 -4.255 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.073 0.053 -4.797 1.00 0.00 C ATOM 0 H VAL A 14 -0.995 0.480 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.336 -1.165 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.938 -0.972 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.373 1.415 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.316 0.795 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.866 1.785 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.163 0.451 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.564 0.781 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.497 -0.872 -4.821 1.00 0.00 H new ATOM 177 N VAL A 15 -1.755 -3.077 -3.342 1.00 0.00 N ATOM 178 CA VAL A 15 -0.888 -4.248 -3.395 1.00 0.00 C ATOM 179 C VAL A 15 -0.651 -4.692 -4.835 1.00 0.00 C ATOM 180 O VAL A 15 -1.597 -4.964 -5.574 1.00 0.00 O ATOM 181 CB VAL A 15 -1.483 -5.423 -2.598 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.652 -6.681 -2.801 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.578 -5.071 -1.121 1.00 0.00 C ATOM 0 H VAL A 15 -2.677 -3.216 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 15 0.062 -3.959 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.490 -5.617 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.088 -7.501 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.640 -6.942 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.368 -6.503 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.001 -5.913 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.583 -4.849 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.218 -4.198 -0.995 1.00 0.00 H new ATOM 193 N ALA A 16 0.617 -4.763 -5.226 1.00 0.00 N ATOM 194 CA ALA A 16 0.978 -5.176 -6.576 1.00 0.00 C ATOM 195 C ALA A 16 2.247 -6.021 -6.570 1.00 0.00 C ATOM 196 O ALA A 16 3.203 -5.717 -5.856 1.00 0.00 O ATOM 197 CB ALA A 16 1.155 -3.959 -7.471 1.00 0.00 C ATOM 0 H ALA A 16 1.412 -4.540 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 16 0.167 -5.788 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.425 -4.283 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.222 -3.396 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.945 -3.324 -7.070 1.00 0.00 H new ATOM 203 N ARG A 17 2.250 -7.082 -7.370 1.00 0.00 N ATOM 204 CA ARG A 17 3.402 -7.972 -7.455 1.00 0.00 C ATOM 205 C ARG A 17 4.350 -7.528 -8.565 1.00 0.00 C ATOM 206 O ARG A 17 4.167 -7.880 -9.730 1.00 0.00 O ATOM 207 CB ARG A 17 2.945 -9.410 -7.704 1.00 0.00 C ATOM 208 CG ARG A 17 2.162 -9.586 -8.995 1.00 0.00 C ATOM 209 CD ARG A 17 1.279 -10.823 -8.947 1.00 0.00 C ATOM 210 NE ARG A 17 0.842 -11.235 -10.278 1.00 0.00 N ATOM 211 CZ ARG A 17 1.669 -11.681 -11.217 1.00 0.00 C ATOM 212 NH1 ARG A 17 2.969 -11.771 -10.973 1.00 0.00 N ATOM 213 NH2 ARG A 17 1.195 -12.037 -12.405 1.00 0.00 N ATOM 0 H ARG A 17 1.468 -7.346 -7.969 1.00 0.00 H new ATOM 0 HA ARG A 17 3.935 -7.928 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.819 -10.061 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.327 -9.736 -6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.546 -8.704 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.854 -9.664 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.825 -11.640 -8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.407 -10.622 -8.325 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.152 -11.177 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.337 -11.497 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.601 -12.114 -11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.196 -11.968 -12.597 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.830 -12.379 -13.126 1.00 0.00 H new ATOM 227 N GLY A 18 5.365 -6.752 -8.196 1.00 0.00 N ATOM 228 CA GLY A 18 6.326 -6.273 -9.172 1.00 0.00 C ATOM 229 C GLY A 18 5.824 -5.062 -9.933 1.00 0.00 C ATOM 230 O GLY A 18 6.091 -3.923 -9.549 1.00 0.00 O ATOM 0 H GLY A 18 5.539 -6.447 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.258 -6.020 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.553 -7.073 -9.877 1.00 0.00 H new ATOM 234 N THR A 19 5.096 -5.307 -11.018 1.00 0.00 N ATOM 235 CA THR A 19 4.559 -4.229 -11.838 1.00 0.00 C ATOM 236 C THR A 19 3.079 -4.448 -12.133 1.00 0.00 C ATOM 237 O THR A 19 2.429 -3.610 -12.759 1.00 0.00 O ATOM 238 CB THR A 19 5.323 -4.100 -13.169 1.00 0.00 C ATOM 239 OG1 THR A 19 5.730 -5.394 -13.627 1.00 0.00 O ATOM 240 CG2 THR A 19 6.543 -3.206 -13.008 1.00 0.00 C ATOM 0 H THR A 19 4.865 -6.244 -11.349 1.00 0.00 H new ATOM 0 HA THR A 19 4.681 -3.308 -11.268 1.00 0.00 H new ATOM 0 HB THR A 19 4.656 -3.648 -13.903 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.214 -5.304 -14.475 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.067 -3.130 -13.961 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.227 -2.213 -12.687 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.211 -3.633 -12.260 1.00 0.00 H new ATOM 248 N THR A 20 2.551 -5.579 -11.678 1.00 0.00 N ATOM 249 CA THR A 20 1.148 -5.909 -11.894 1.00 0.00 C ATOM 250 C THR A 20 0.311 -5.588 -10.661 1.00 0.00 C ATOM 251 O THR A 20 0.537 -6.142 -9.585 1.00 0.00 O ATOM 252 CB THR A 20 0.968 -7.397 -12.249 1.00 0.00 C ATOM 253 OG1 THR A 20 1.685 -7.704 -13.450 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.504 -7.737 -12.430 1.00 0.00 C ATOM 0 H THR A 20 3.074 -6.283 -11.157 1.00 0.00 H new ATOM 0 HA THR A 20 0.806 -5.300 -12.731 1.00 0.00 H new ATOM 0 HB THR A 20 1.363 -7.994 -11.427 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.567 -8.652 -13.668 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.605 -8.793 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.042 -7.530 -11.505 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.921 -7.132 -13.235 1.00 0.00 H new ATOM 262 N ILE A 21 -0.655 -4.690 -10.824 1.00 0.00 N ATOM 263 CA ILE A 21 -1.526 -4.298 -9.723 1.00 0.00 C ATOM 264 C ILE A 21 -2.718 -5.241 -9.602 1.00 0.00 C ATOM 265 O ILE A 21 -3.501 -5.394 -10.541 1.00 0.00 O ATOM 266 CB ILE A 21 -2.041 -2.857 -9.900 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.871 -1.896 -10.114 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.865 -2.437 -8.691 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.296 -0.515 -10.562 1.00 0.00 C ATOM 0 H ILE A 21 -0.854 -4.221 -11.707 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.929 -4.353 -8.813 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.681 -2.821 -10.782 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.308 -1.810 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.196 -2.319 -10.858 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.222 -1.417 -8.831 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.717 -3.108 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.247 -2.486 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.414 0.112 -10.694 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.834 -0.589 -11.507 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.947 -0.072 -9.808 1.00 0.00 H new ATOM 281 N LEU A 22 -2.851 -5.871 -8.440 1.00 0.00 N ATOM 282 CA LEU A 22 -3.950 -6.798 -8.194 1.00 0.00 C ATOM 283 C LEU A 22 -5.152 -6.073 -7.598 1.00 0.00 C ATOM 284 O LEU A 22 -6.188 -5.931 -8.248 1.00 0.00 O ATOM 285 CB LEU A 22 -3.498 -7.917 -7.254 1.00 0.00 C ATOM 286 CG LEU A 22 -2.389 -8.830 -7.781 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.622 -9.458 -6.628 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.970 -9.906 -8.687 1.00 0.00 C ATOM 0 H LEU A 22 -2.212 -5.757 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.248 -7.231 -9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.157 -7.466 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.364 -8.533 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.695 -8.227 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.837 -10.104 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.174 -8.673 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.304 -10.048 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.167 -10.546 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.686 -10.507 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.474 -9.437 -9.532 1.00 0.00 H new ATOM 300 N ALA A 23 -5.006 -5.615 -6.360 1.00 0.00 N ATOM 301 CA ALA A 23 -6.078 -4.900 -5.678 1.00 0.00 C ATOM 302 C ALA A 23 -5.621 -3.513 -5.239 1.00 0.00 C ATOM 303 O ALA A 23 -4.708 -3.378 -4.425 1.00 0.00 O ATOM 304 CB ALA A 23 -6.567 -5.701 -4.480 1.00 0.00 C ATOM 0 H ALA A 23 -4.155 -5.726 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.903 -4.776 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.367 -5.156 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.942 -6.667 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.742 -5.854 -3.784 1.00 0.00 H new ATOM 310 N LYS A 24 -6.261 -2.484 -5.784 1.00 0.00 N ATOM 311 CA LYS A 24 -5.922 -1.107 -5.449 1.00 0.00 C ATOM 312 C LYS A 24 -7.102 -0.401 -4.788 1.00 0.00 C ATOM 313 O LYS A 24 -8.242 -0.524 -5.236 1.00 0.00 O ATOM 314 CB LYS A 24 -5.496 -0.344 -6.705 1.00 0.00 C ATOM 315 CG LYS A 24 -6.604 -0.200 -7.734 1.00 0.00 C ATOM 316 CD LYS A 24 -6.257 0.841 -8.785 1.00 0.00 C ATOM 317 CE LYS A 24 -7.359 0.972 -9.825 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.648 1.405 -9.217 1.00 0.00 N ATOM 0 H LYS A 24 -7.018 -2.579 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.091 -1.126 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.148 0.648 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.651 -0.858 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.780 -1.161 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.531 0.081 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.093 1.805 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.323 0.567 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.057 1.692 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.498 0.015 -10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.306 1.694 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.061 0.616 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.478 2.208 -8.578 1.00 0.00 H new ATOM 332 N HIS A 25 -6.820 0.341 -3.722 1.00 0.00 N ATOM 333 CA HIS A 25 -7.859 1.069 -3.001 1.00 0.00 C ATOM 334 C HIS A 25 -7.268 2.263 -2.257 1.00 0.00 C ATOM 335 O HIS A 25 -6.573 2.099 -1.254 1.00 0.00 O ATOM 336 CB HIS A 25 -8.572 0.141 -2.017 1.00 0.00 C ATOM 337 CG HIS A 25 -9.501 0.857 -1.085 1.00 0.00 C ATOM 338 ND1 HIS A 25 -10.872 0.841 -1.231 1.00 0.00 N ATOM 339 CD2 HIS A 25 -9.249 1.611 0.010 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.424 1.556 -0.267 1.00 0.00 C ATOM 341 NE2 HIS A 25 -10.460 2.033 0.501 1.00 0.00 N ATOM 0 H HIS A 25 -5.882 0.454 -3.338 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.582 1.438 -3.728 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.136 -0.605 -2.577 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.826 -0.397 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.277 1.839 0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.482 1.722 -0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.594 2.619 1.325 1.00 0.00 H new ATOM 350 N ALA A 26 -7.550 3.462 -2.754 1.00 0.00 N ATOM 351 CA ALA A 26 -7.048 4.683 -2.135 1.00 0.00 C ATOM 352 C ALA A 26 -8.177 5.679 -1.891 1.00 0.00 C ATOM 353 O ALA A 26 -9.272 5.536 -2.435 1.00 0.00 O ATOM 354 CB ALA A 26 -5.968 5.310 -3.005 1.00 0.00 C ATOM 0 H ALA A 26 -8.123 3.615 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.615 4.420 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.602 6.221 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.144 4.607 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.384 5.552 -3.983 1.00 0.00 H new ATOM 360 N TRP A 27 -7.903 6.686 -1.070 1.00 0.00 N ATOM 361 CA TRP A 27 -8.897 7.705 -0.753 1.00 0.00 C ATOM 362 C TRP A 27 -9.124 8.633 -1.941 1.00 0.00 C ATOM 363 O TRP A 27 -8.237 8.814 -2.777 1.00 0.00 O ATOM 364 CB TRP A 27 -8.455 8.517 0.466 1.00 0.00 C ATOM 365 CG TRP A 27 -8.729 7.829 1.769 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.090 6.728 2.265 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.715 8.194 2.740 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.619 6.388 3.486 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.617 7.272 3.801 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.669 9.212 2.819 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.439 7.338 4.923 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.484 9.276 3.933 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.364 8.345 4.973 1.00 0.00 C ATOM 0 H TRP A 27 -7.001 6.819 -0.612 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.836 7.201 -0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.387 8.722 0.389 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.966 9.480 0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.287 6.202 1.770 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.318 5.604 4.065 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.768 9.936 2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.350 6.620 5.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.226 10.057 4.003 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.015 8.424 5.831 1.00 0.00 H new ATOM 384 N CYS A 28 -10.314 9.217 -2.012 1.00 0.00 N ATOM 385 CA CYS A 28 -10.657 10.127 -3.100 1.00 0.00 C ATOM 386 C CYS A 28 -9.995 11.486 -2.901 1.00 0.00 C ATOM 387 O CYS A 28 -10.410 12.271 -2.049 1.00 0.00 O ATOM 388 CB CYS A 28 -12.174 10.293 -3.194 1.00 0.00 C ATOM 389 SG CYS A 28 -12.735 11.093 -4.716 1.00 0.00 S ATOM 0 H CYS A 28 -11.059 9.077 -1.329 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.288 9.697 -4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.642 9.311 -3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.519 10.877 -2.341 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.032 11.187 -4.705 1.00 0.00 H new ATOM 395 N GLY A 29 -8.961 11.757 -3.692 1.00 0.00 N ATOM 396 CA GLY A 29 -8.258 13.022 -3.585 1.00 0.00 C ATOM 397 C GLY A 29 -7.624 13.445 -4.896 1.00 0.00 C ATOM 398 O GLY A 29 -8.082 14.387 -5.540 1.00 0.00 O ATOM 0 H GLY A 29 -8.598 11.124 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.953 13.794 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.485 12.941 -2.820 1.00 0.00 H new ATOM 402 N GLY A 30 -6.564 12.746 -5.291 1.00 0.00 N ATOM 403 CA GLY A 30 -5.882 13.070 -6.531 1.00 0.00 C ATOM 404 C GLY A 30 -5.471 11.835 -7.307 1.00 0.00 C ATOM 405 O GLY A 30 -6.138 10.803 -7.244 1.00 0.00 O ATOM 0 H GLY A 30 -6.166 11.962 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.535 13.684 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.997 13.667 -6.310 1.00 0.00 H new ATOM 409 N ASN A 31 -4.369 11.939 -8.043 1.00 0.00 N ATOM 410 CA ASN A 31 -3.871 10.822 -8.837 1.00 0.00 C ATOM 411 C ASN A 31 -2.541 10.315 -8.288 1.00 0.00 C ATOM 412 O ASN A 31 -1.489 10.907 -8.535 1.00 0.00 O ATOM 413 CB ASN A 31 -3.706 11.242 -10.299 1.00 0.00 C ATOM 414 CG ASN A 31 -3.554 10.053 -11.228 1.00 0.00 C ATOM 415 OD1 ASN A 31 -2.833 9.102 -10.924 1.00 0.00 O ATOM 416 ND2 ASN A 31 -4.234 10.101 -12.367 1.00 0.00 N ATOM 0 H ASN A 31 -3.804 12.786 -8.106 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.600 10.013 -8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.571 11.831 -10.605 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.832 11.887 -10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.171 9.330 -13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.819 10.909 -12.578 1.00 0.00 H new ATOM 423 N PHE A 32 -2.594 9.216 -7.543 1.00 0.00 N ATOM 424 CA PHE A 32 -1.394 8.629 -6.959 1.00 0.00 C ATOM 425 C PHE A 32 -0.950 7.401 -7.748 1.00 0.00 C ATOM 426 O PHE A 32 0.211 6.995 -7.686 1.00 0.00 O ATOM 427 CB PHE A 32 -1.645 8.248 -5.499 1.00 0.00 C ATOM 428 CG PHE A 32 -1.385 9.369 -4.534 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.234 10.134 -4.634 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.291 9.658 -3.526 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.009 11.165 -3.747 1.00 0.00 C ATOM 432 CE2 PHE A 32 -2.054 10.689 -2.636 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.903 11.444 -2.747 1.00 0.00 C ATOM 0 H PHE A 32 -3.456 8.714 -7.329 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.599 9.373 -7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.678 7.918 -5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.011 7.401 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.482 9.922 -5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.193 9.071 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.911 11.752 -3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.768 10.904 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.716 12.251 -2.054 1.00 0.00 H new ATOM 443 N LEU A 33 -1.883 6.812 -8.489 1.00 0.00 N ATOM 444 CA LEU A 33 -1.589 5.629 -9.290 1.00 0.00 C ATOM 445 C LEU A 33 -0.470 5.910 -10.287 1.00 0.00 C ATOM 446 O LEU A 33 0.176 4.989 -10.785 1.00 0.00 O ATOM 447 CB LEU A 33 -2.845 5.168 -10.033 1.00 0.00 C ATOM 448 CG LEU A 33 -2.777 3.778 -10.667 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.633 2.708 -9.596 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.011 3.520 -11.519 1.00 0.00 C ATOM 0 H LEU A 33 -2.849 7.134 -8.551 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.260 4.837 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.683 5.187 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.066 5.893 -10.817 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.899 3.737 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.586 1.726 -10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.719 2.882 -9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.490 2.748 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.946 2.526 -11.962 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.903 3.581 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.070 4.267 -12.310 1.00 0.00 H new ATOM 462 N GLU A 34 -0.244 7.189 -10.571 1.00 0.00 N ATOM 463 CA GLU A 34 0.799 7.591 -11.507 1.00 0.00 C ATOM 464 C GLU A 34 2.182 7.429 -10.883 1.00 0.00 C ATOM 465 O GLU A 34 2.993 6.625 -11.342 1.00 0.00 O ATOM 466 CB GLU A 34 0.591 9.042 -11.945 1.00 0.00 C ATOM 467 CG GLU A 34 1.744 9.603 -12.760 1.00 0.00 C ATOM 468 CD GLU A 34 1.506 11.035 -13.198 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.761 11.239 -14.179 1.00 0.00 O ATOM 470 OE2 GLU A 34 2.065 11.952 -12.560 1.00 0.00 O ATOM 0 H GLU A 34 -0.769 7.964 -10.166 1.00 0.00 H new ATOM 0 HA GLU A 34 0.736 6.943 -12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.324 9.107 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.447 9.662 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.659 9.555 -12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.900 8.979 -13.640 1.00 0.00 H new ATOM 477 N VAL A 35 2.444 8.201 -9.833 1.00 0.00 N ATOM 478 CA VAL A 35 3.728 8.144 -9.144 1.00 0.00 C ATOM 479 C VAL A 35 3.985 6.754 -8.575 1.00 0.00 C ATOM 480 O VAL A 35 5.129 6.303 -8.498 1.00 0.00 O ATOM 481 CB VAL A 35 3.799 9.176 -8.003 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.992 8.702 -6.804 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.245 9.439 -7.612 1.00 0.00 C ATOM 0 H VAL A 35 1.784 8.873 -9.441 1.00 0.00 H new ATOM 0 HA VAL A 35 4.494 8.378 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 35 3.366 10.112 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.054 9.444 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.950 8.569 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.393 7.753 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.276 10.171 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.706 8.510 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.790 9.826 -8.473 1.00 0.00 H new ATOM 493 N THR A 36 2.913 6.076 -8.176 1.00 0.00 N ATOM 494 CA THR A 36 3.022 4.736 -7.612 1.00 0.00 C ATOM 495 C THR A 36 3.503 3.737 -8.658 1.00 0.00 C ATOM 496 O THR A 36 4.472 3.012 -8.436 1.00 0.00 O ATOM 497 CB THR A 36 1.674 4.256 -7.042 1.00 0.00 C ATOM 498 OG1 THR A 36 1.254 5.122 -5.982 1.00 0.00 O ATOM 499 CG2 THR A 36 1.783 2.829 -6.525 1.00 0.00 C ATOM 0 H THR A 36 1.959 6.433 -8.233 1.00 0.00 H new ATOM 0 HA THR A 36 3.751 4.791 -6.804 1.00 0.00 H new ATOM 0 HB THR A 36 0.936 4.280 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.839 5.925 -6.361 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.819 2.511 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.075 2.168 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.534 2.784 -5.736 1.00 0.00 H new ATOM 507 N GLU A 37 2.821 3.706 -9.798 1.00 0.00 N ATOM 508 CA GLU A 37 3.181 2.794 -10.878 1.00 0.00 C ATOM 509 C GLU A 37 4.641 2.978 -11.281 1.00 0.00 C ATOM 510 O GLU A 37 5.372 2.005 -11.463 1.00 0.00 O ATOM 511 CB GLU A 37 2.273 3.020 -12.090 1.00 0.00 C ATOM 512 CG GLU A 37 0.979 2.226 -12.037 1.00 0.00 C ATOM 513 CD GLU A 37 0.453 1.876 -13.415 1.00 0.00 C ATOM 514 OE1 GLU A 37 1.272 1.531 -14.292 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.777 1.949 -13.617 1.00 0.00 O ATOM 0 H GLU A 37 2.017 4.301 -9.998 1.00 0.00 H new ATOM 0 HA GLU A 37 3.047 1.774 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.036 4.081 -12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.817 2.752 -12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.143 1.309 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.225 2.802 -11.500 1.00 0.00 H new ATOM 522 N GLN A 38 5.057 4.233 -11.419 1.00 0.00 N ATOM 523 CA GLN A 38 6.430 4.544 -11.802 1.00 0.00 C ATOM 524 C GLN A 38 7.419 3.969 -10.794 1.00 0.00 C ATOM 525 O GLN A 38 8.429 3.373 -11.171 1.00 0.00 O ATOM 526 CB GLN A 38 6.619 6.057 -11.914 1.00 0.00 C ATOM 527 CG GLN A 38 5.727 6.706 -12.960 1.00 0.00 C ATOM 528 CD GLN A 38 6.280 6.568 -14.365 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.858 5.540 -14.719 1.00 0.00 O ATOM 530 NE2 GLN A 38 6.104 7.606 -15.175 1.00 0.00 N ATOM 0 H GLN A 38 4.464 5.050 -11.272 1.00 0.00 H new ATOM 0 HA GLN A 38 6.623 4.088 -12.773 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.418 6.513 -10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.661 6.268 -12.156 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.736 6.254 -12.918 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.606 7.763 -12.723 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.619 8.438 -14.839 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.454 7.571 -16.132 1.00 0.00 H new ATOM 539 N ILE A 39 7.124 4.152 -9.511 1.00 0.00 N ATOM 540 CA ILE A 39 7.988 3.651 -8.450 1.00 0.00 C ATOM 541 C ILE A 39 8.055 2.128 -8.469 1.00 0.00 C ATOM 542 O ILE A 39 9.128 1.541 -8.321 1.00 0.00 O ATOM 543 CB ILE A 39 7.504 4.115 -7.063 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.638 5.634 -6.934 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.290 3.414 -5.966 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.036 6.089 -6.578 1.00 0.00 C ATOM 0 H ILE A 39 6.293 4.644 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 39 8.982 4.059 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 39 6.452 3.851 -6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.342 6.098 -7.875 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.944 5.988 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.936 3.752 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.149 2.336 -6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.349 3.650 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.057 7.176 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.328 5.654 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.732 5.765 -7.352 1.00 0.00 H new ATOM 558 N LEU A 40 6.903 1.493 -8.654 1.00 0.00 N ATOM 559 CA LEU A 40 6.830 0.036 -8.694 1.00 0.00 C ATOM 560 C LEU A 40 7.772 -0.527 -9.754 1.00 0.00 C ATOM 561 O LEU A 40 8.525 -1.464 -9.495 1.00 0.00 O ATOM 562 CB LEU A 40 5.396 -0.414 -8.978 1.00 0.00 C ATOM 563 CG LEU A 40 4.391 -0.209 -7.844 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.975 -0.471 -8.332 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.726 -1.111 -6.665 1.00 0.00 C ATOM 0 H LEU A 40 6.007 1.964 -8.779 1.00 0.00 H new ATOM 0 HA LEU A 40 7.138 -0.346 -7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.036 0.121 -9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.413 -1.473 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 40 4.453 0.827 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.274 -0.320 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.737 0.216 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.898 -1.497 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.000 -0.952 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.693 -2.153 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.725 -0.875 -6.299 1.00 0.00 H new ATOM 577 N ALA A 41 7.724 0.054 -10.949 1.00 0.00 N ATOM 578 CA ALA A 41 8.576 -0.387 -12.047 1.00 0.00 C ATOM 579 C ALA A 41 10.051 -0.254 -11.685 1.00 0.00 C ATOM 580 O ALA A 41 10.924 -0.742 -12.403 1.00 0.00 O ATOM 581 CB ALA A 41 8.266 0.408 -13.307 1.00 0.00 C ATOM 0 H ALA A 41 7.105 0.830 -11.181 1.00 0.00 H new ATOM 0 HA ALA A 41 8.369 -1.441 -12.235 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.909 0.069 -14.119 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.222 0.258 -13.584 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.444 1.467 -13.122 1.00 0.00 H new ATOM 587 N LYS A 42 10.324 0.409 -10.566 1.00 0.00 N ATOM 588 CA LYS A 42 11.694 0.606 -10.108 1.00 0.00 C ATOM 589 C LYS A 42 12.022 -0.337 -8.955 1.00 0.00 C ATOM 590 O LYS A 42 13.164 -0.772 -8.802 1.00 0.00 O ATOM 591 CB LYS A 42 11.903 2.057 -9.669 1.00 0.00 C ATOM 592 CG LYS A 42 11.887 3.049 -10.819 1.00 0.00 C ATOM 593 CD LYS A 42 11.655 4.468 -10.329 1.00 0.00 C ATOM 594 CE LYS A 42 10.936 5.308 -11.373 1.00 0.00 C ATOM 595 NZ LYS A 42 11.119 6.767 -11.133 1.00 0.00 N ATOM 0 H LYS A 42 9.614 0.819 -9.959 1.00 0.00 H new ATOM 0 HA LYS A 42 12.364 0.384 -10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.124 2.328 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.856 2.136 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.834 2.999 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.104 2.775 -11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.068 4.446 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.611 4.930 -10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.310 5.053 -12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.873 5.069 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.614 7.305 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.739 7.015 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.132 7.000 -11.168 1.00 0.00 H new ATOM 609 N ILE A 43 11.014 -0.651 -8.147 1.00 0.00 N ATOM 610 CA ILE A 43 11.197 -1.544 -7.010 1.00 0.00 C ATOM 611 C ILE A 43 11.350 -2.991 -7.467 1.00 0.00 C ATOM 612 O ILE A 43 10.532 -3.520 -8.222 1.00 0.00 O ATOM 613 CB ILE A 43 10.016 -1.451 -6.026 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.873 -0.021 -5.501 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.208 -2.426 -4.874 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.562 0.234 -4.791 1.00 0.00 C ATOM 0 H ILE A 43 10.063 -0.300 -8.259 1.00 0.00 H new ATOM 0 HA ILE A 43 12.108 -1.227 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 43 9.101 -1.718 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.695 0.190 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.966 0.675 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.365 -2.348 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.266 -3.442 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.130 -2.187 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.530 1.267 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.735 0.055 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.475 -0.437 -3.936 1.00 0.00 H new ATOM 628 N PRO A 44 12.420 -3.649 -6.999 1.00 0.00 N ATOM 629 CA PRO A 44 12.705 -5.045 -7.345 1.00 0.00 C ATOM 630 C PRO A 44 11.711 -6.013 -6.712 1.00 0.00 C ATOM 631 O PRO A 44 10.805 -5.602 -5.987 1.00 0.00 O ATOM 632 CB PRO A 44 14.108 -5.272 -6.777 1.00 0.00 C ATOM 633 CG PRO A 44 14.234 -4.283 -5.671 1.00 0.00 C ATOM 634 CD PRO A 44 13.436 -3.082 -6.097 1.00 0.00 C ATOM 0 HA PRO A 44 12.631 -5.222 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.227 -6.292 -6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.873 -5.115 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.853 -4.693 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.278 -4.018 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.980 -2.579 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.059 -2.346 -6.605 1.00 0.00 H new ATOM 642 N SER A 45 11.887 -7.301 -6.990 1.00 0.00 N ATOM 643 CA SER A 45 11.003 -8.327 -6.450 1.00 0.00 C ATOM 644 C SER A 45 11.682 -9.086 -5.314 1.00 0.00 C ATOM 645 O SER A 45 11.067 -9.931 -4.664 1.00 0.00 O ATOM 646 CB SER A 45 10.587 -9.303 -7.553 1.00 0.00 C ATOM 647 OG SER A 45 11.700 -10.040 -8.029 1.00 0.00 O ATOM 0 H SER A 45 12.634 -7.659 -7.586 1.00 0.00 H new ATOM 0 HA SER A 45 10.114 -7.835 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.830 -9.988 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.132 -8.753 -8.377 1.00 0.00 H new ATOM 0 HG SER A 45 11.407 -10.657 -8.732 1.00 0.00 H new ATOM 653 N GLU A 46 12.953 -8.776 -5.080 1.00 0.00 N ATOM 654 CA GLU A 46 13.716 -9.428 -4.023 1.00 0.00 C ATOM 655 C GLU A 46 13.259 -8.950 -2.648 1.00 0.00 C ATOM 656 O GLU A 46 12.996 -7.765 -2.447 1.00 0.00 O ATOM 657 CB GLU A 46 15.211 -9.155 -4.199 1.00 0.00 C ATOM 658 CG GLU A 46 15.864 -10.011 -5.271 1.00 0.00 C ATOM 659 CD GLU A 46 15.472 -9.588 -6.674 1.00 0.00 C ATOM 660 OE1 GLU A 46 15.586 -8.383 -6.983 1.00 0.00 O ATOM 661 OE2 GLU A 46 15.052 -10.461 -7.462 1.00 0.00 O ATOM 0 H GLU A 46 13.476 -8.077 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 46 13.540 -10.501 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.353 -8.104 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.718 -9.328 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.947 -9.953 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.585 -11.054 -5.118 1.00 0.00 H new ATOM 668 N ASN A 47 13.168 -9.881 -1.704 1.00 0.00 N ATOM 669 CA ASN A 47 12.742 -9.555 -0.347 1.00 0.00 C ATOM 670 C ASN A 47 13.621 -8.462 0.251 1.00 0.00 C ATOM 671 O ASN A 47 14.704 -8.735 0.766 1.00 0.00 O ATOM 672 CB ASN A 47 12.787 -10.803 0.537 1.00 0.00 C ATOM 673 CG ASN A 47 14.204 -11.278 0.795 1.00 0.00 C ATOM 674 OD1 ASN A 47 14.897 -11.726 -0.119 1.00 0.00 O ATOM 675 ND2 ASN A 47 14.642 -11.181 2.045 1.00 0.00 N ATOM 0 H ASN A 47 13.383 -10.867 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 47 11.717 -9.187 -0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.300 -10.589 1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.220 -11.603 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.587 -11.484 2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.033 -10.803 2.771 1.00 0.00 H new ATOM 682 N ASN A 48 13.146 -7.223 0.179 1.00 0.00 N ATOM 683 CA ASN A 48 13.888 -6.087 0.714 1.00 0.00 C ATOM 684 C ASN A 48 12.998 -4.852 0.812 1.00 0.00 C ATOM 685 O ASN A 48 12.174 -4.596 -0.067 1.00 0.00 O ATOM 686 CB ASN A 48 15.103 -5.786 -0.165 1.00 0.00 C ATOM 687 CG ASN A 48 16.049 -4.790 0.477 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.911 -5.160 1.274 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.892 -3.517 0.132 1.00 0.00 N ATOM 0 H ASN A 48 12.251 -6.980 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 48 14.228 -6.347 1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.639 -6.713 -0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.766 -5.396 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.499 -2.802 0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.164 -3.255 -0.533 1.00 0.00 H new ATOM 696 N LYS A 49 13.169 -4.089 1.886 1.00 0.00 N ATOM 697 CA LYS A 49 12.384 -2.879 2.099 1.00 0.00 C ATOM 698 C LYS A 49 13.278 -1.643 2.101 1.00 0.00 C ATOM 699 O LYS A 49 14.489 -1.741 2.302 1.00 0.00 O ATOM 700 CB LYS A 49 11.617 -2.970 3.420 1.00 0.00 C ATOM 701 CG LYS A 49 12.517 -3.024 4.643 1.00 0.00 C ATOM 702 CD LYS A 49 11.724 -3.311 5.906 1.00 0.00 C ATOM 703 CE LYS A 49 12.564 -4.052 6.935 1.00 0.00 C ATOM 704 NZ LYS A 49 13.374 -3.118 7.766 1.00 0.00 N ATOM 0 H LYS A 49 13.845 -4.288 2.623 1.00 0.00 H new ATOM 0 HA LYS A 49 11.672 -2.789 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.953 -2.110 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.986 -3.859 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.274 -3.795 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.044 -2.076 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.366 -2.374 6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.844 -3.904 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.912 -4.640 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.226 -4.753 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.932 -3.661 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.015 -2.574 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.741 -2.465 8.271 1.00 0.00 H new ATOM 718 N LEU A 50 12.674 -0.481 1.879 1.00 0.00 N ATOM 719 CA LEU A 50 13.415 0.775 1.858 1.00 0.00 C ATOM 720 C LEU A 50 12.465 1.968 1.849 1.00 0.00 C ATOM 721 O LEU A 50 11.404 1.926 1.227 1.00 0.00 O ATOM 722 CB LEU A 50 14.331 0.828 0.633 1.00 0.00 C ATOM 723 CG LEU A 50 14.871 2.209 0.259 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.157 2.080 -0.542 1.00 0.00 C ATOM 725 CD2 LEU A 50 13.829 2.995 -0.524 1.00 0.00 C ATOM 0 H LEU A 50 11.673 -0.382 1.711 1.00 0.00 H new ATOM 0 HA LEU A 50 14.023 0.826 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.177 0.164 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.785 0.430 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 50 15.092 2.753 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.527 3.073 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.906 1.557 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.962 1.518 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.230 3.975 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.576 2.455 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.933 3.118 0.085 1.00 0.00 H new ATOM 737 N THR A 51 12.855 3.033 2.543 1.00 0.00 N ATOM 738 CA THR A 51 12.039 4.239 2.614 1.00 0.00 C ATOM 739 C THR A 51 12.363 5.191 1.469 1.00 0.00 C ATOM 740 O THR A 51 13.492 5.668 1.346 1.00 0.00 O ATOM 741 CB THR A 51 12.242 4.976 3.952 1.00 0.00 C ATOM 742 OG1 THR A 51 12.115 4.056 5.042 1.00 0.00 O ATOM 743 CG2 THR A 51 11.228 6.099 4.110 1.00 0.00 C ATOM 0 H THR A 51 13.731 3.085 3.064 1.00 0.00 H new ATOM 0 HA THR A 51 10.999 3.922 2.536 1.00 0.00 H new ATOM 0 HB THR A 51 13.243 5.408 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.247 4.532 5.889 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.391 6.605 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.346 6.813 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.220 5.685 4.087 1.00 0.00 H new ATOM 751 N TYR A 52 11.368 5.464 0.633 1.00 0.00 N ATOM 752 CA TYR A 52 11.548 6.359 -0.504 1.00 0.00 C ATOM 753 C TYR A 52 10.826 7.683 -0.275 1.00 0.00 C ATOM 754 O TYR A 52 9.598 7.730 -0.204 1.00 0.00 O ATOM 755 CB TYR A 52 11.033 5.699 -1.785 1.00 0.00 C ATOM 756 CG TYR A 52 11.763 6.146 -3.031 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.976 7.494 -3.290 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.239 5.219 -3.951 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.642 7.907 -4.428 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.907 5.622 -5.091 1.00 0.00 C ATOM 761 CZ TYR A 52 13.106 6.967 -5.325 1.00 0.00 C ATOM 762 OH TYR A 52 13.770 7.373 -6.460 1.00 0.00 O ATOM 0 H TYR A 52 10.428 5.078 0.721 1.00 0.00 H new ATOM 0 HA TYR A 52 12.614 6.561 -0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.125 4.617 -1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.972 5.920 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.615 8.232 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.084 4.165 -3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.798 8.959 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.271 4.888 -5.795 1.00 0.00 H new ATOM 0 HH TYR A 52 14.031 6.588 -6.985 1.00 0.00 H new ATOM 772 N SER A 53 11.599 8.758 -0.161 1.00 0.00 N ATOM 773 CA SER A 53 11.036 10.085 0.064 1.00 0.00 C ATOM 774 C SER A 53 10.789 10.801 -1.261 1.00 0.00 C ATOM 775 O SER A 53 11.674 11.475 -1.790 1.00 0.00 O ATOM 776 CB SER A 53 11.972 10.918 0.940 1.00 0.00 C ATOM 777 OG SER A 53 13.293 10.910 0.428 1.00 0.00 O ATOM 0 H SER A 53 12.617 8.737 -0.221 1.00 0.00 H new ATOM 0 HA SER A 53 10.082 9.966 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.606 11.943 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.970 10.524 1.956 1.00 0.00 H new ATOM 0 HG SER A 53 13.278 11.160 -0.519 1.00 0.00 H new ATOM 783 N HIS A 54 9.580 10.650 -1.791 1.00 0.00 N ATOM 784 CA HIS A 54 9.215 11.283 -3.054 1.00 0.00 C ATOM 785 C HIS A 54 8.024 12.219 -2.868 1.00 0.00 C ATOM 786 O HIS A 54 7.138 11.959 -2.056 1.00 0.00 O ATOM 787 CB HIS A 54 8.884 10.221 -4.104 1.00 0.00 C ATOM 788 CG HIS A 54 9.046 10.702 -5.513 1.00 0.00 C ATOM 789 ND1 HIS A 54 10.273 10.840 -6.125 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.125 11.077 -6.431 1.00 0.00 C ATOM 791 CE1 HIS A 54 10.101 11.280 -7.359 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.806 11.431 -7.570 1.00 0.00 N ATOM 0 H HIS A 54 8.837 10.095 -1.366 1.00 0.00 H new ATOM 0 HA HIS A 54 10.067 11.870 -3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.527 9.355 -3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.857 9.886 -3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.054 11.095 -6.294 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.886 11.482 -8.073 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.381 11.757 -8.438 1.00 0.00 H new ATOM 801 N GLY A 55 8.013 13.311 -3.626 1.00 0.00 N ATOM 802 CA GLY A 55 6.928 14.270 -3.529 1.00 0.00 C ATOM 803 C GLY A 55 6.692 14.737 -2.107 1.00 0.00 C ATOM 804 O GLY A 55 5.551 14.826 -1.657 1.00 0.00 O ATOM 0 H GLY A 55 8.736 13.549 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.151 15.131 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.014 13.820 -3.917 1.00 0.00 H new ATOM 808 N ASN A 56 7.775 15.034 -1.396 1.00 0.00 N ATOM 809 CA ASN A 56 7.681 15.492 -0.014 1.00 0.00 C ATOM 810 C ASN A 56 6.871 14.513 0.829 1.00 0.00 C ATOM 811 O ASN A 56 6.264 14.894 1.830 1.00 0.00 O ATOM 812 CB ASN A 56 7.042 16.881 0.042 1.00 0.00 C ATOM 813 CG ASN A 56 8.039 17.989 -0.236 1.00 0.00 C ATOM 814 OD1 ASN A 56 9.127 18.018 0.339 1.00 0.00 O ATOM 815 ND2 ASN A 56 7.672 18.907 -1.123 1.00 0.00 N ATOM 0 H ASN A 56 8.728 14.966 -1.754 1.00 0.00 H new ATOM 0 HA ASN A 56 8.690 15.547 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.232 16.934 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.598 17.034 1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.302 19.676 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.760 18.843 -1.575 1.00 0.00 H new ATOM 822 N TYR A 57 6.867 13.250 0.418 1.00 0.00 N ATOM 823 CA TYR A 57 6.130 12.215 1.135 1.00 0.00 C ATOM 824 C TYR A 57 7.012 10.997 1.391 1.00 0.00 C ATOM 825 O TYR A 57 8.170 10.954 0.973 1.00 0.00 O ATOM 826 CB TYR A 57 4.888 11.802 0.343 1.00 0.00 C ATOM 827 CG TYR A 57 3.658 12.614 0.679 1.00 0.00 C ATOM 828 CD1 TYR A 57 3.674 14.002 0.599 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.480 11.995 1.077 1.00 0.00 C ATOM 830 CE1 TYR A 57 2.553 14.748 0.905 1.00 0.00 C ATOM 831 CE2 TYR A 57 1.353 12.733 1.384 1.00 0.00 C ATOM 832 CZ TYR A 57 1.395 14.109 1.297 1.00 0.00 C ATOM 833 OH TYR A 57 0.275 14.848 1.604 1.00 0.00 O ATOM 0 H TYR A 57 7.365 12.918 -0.408 1.00 0.00 H new ATOM 0 HA TYR A 57 5.820 12.625 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.098 11.900 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.681 10.749 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.579 14.505 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.444 10.918 1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.583 15.825 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.445 12.236 1.690 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.454 14.246 1.860 1.00 0.00 H new ATOM 843 N LEU A 58 6.456 10.007 2.081 1.00 0.00 N ATOM 844 CA LEU A 58 7.190 8.786 2.394 1.00 0.00 C ATOM 845 C LEU A 58 6.497 7.566 1.795 1.00 0.00 C ATOM 846 O LEU A 58 5.362 7.247 2.148 1.00 0.00 O ATOM 847 CB LEU A 58 7.320 8.620 3.909 1.00 0.00 C ATOM 848 CG LEU A 58 7.921 9.805 4.665 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.929 9.535 6.162 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.329 10.098 4.166 1.00 0.00 C ATOM 0 H LEU A 58 5.499 10.026 2.434 1.00 0.00 H new ATOM 0 HA LEU A 58 8.185 8.867 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.330 8.418 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.932 7.740 4.107 1.00 0.00 H new ATOM 0 HG LEU A 58 7.301 10.682 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.360 10.389 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.908 9.376 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.525 8.646 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.741 10.944 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.960 9.223 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.296 10.337 3.103 1.00 0.00 H new ATOM 862 N PHE A 59 7.190 6.885 0.887 1.00 0.00 N ATOM 863 CA PHE A 59 6.642 5.699 0.240 1.00 0.00 C ATOM 864 C PHE A 59 7.211 4.428 0.863 1.00 0.00 C ATOM 865 O PHE A 59 8.285 3.961 0.480 1.00 0.00 O ATOM 866 CB PHE A 59 6.945 5.725 -1.260 1.00 0.00 C ATOM 867 CG PHE A 59 6.098 6.701 -2.026 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.064 8.039 -1.668 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.336 6.280 -3.104 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.285 8.938 -2.371 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.555 7.175 -3.810 1.00 0.00 C ATOM 872 CZ PHE A 59 4.530 8.506 -3.444 1.00 0.00 C ATOM 0 H PHE A 59 8.131 7.134 0.583 1.00 0.00 H new ATOM 0 HA PHE A 59 5.562 5.702 0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 59 7.996 5.975 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.795 4.726 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.653 8.383 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.353 5.240 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.266 9.978 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.965 6.834 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.922 9.208 -3.995 1.00 0.00 H new ATOM 882 N HIS A 60 6.484 3.872 1.827 1.00 0.00 N ATOM 883 CA HIS A 60 6.915 2.654 2.504 1.00 0.00 C ATOM 884 C HIS A 60 6.466 1.416 1.734 1.00 0.00 C ATOM 885 O HIS A 60 5.272 1.137 1.629 1.00 0.00 O ATOM 886 CB HIS A 60 6.359 2.613 3.928 1.00 0.00 C ATOM 887 CG HIS A 60 6.331 3.951 4.599 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.411 4.475 5.278 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.347 4.876 4.692 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.091 5.662 5.761 1.00 0.00 C ATOM 891 NE2 HIS A 60 5.844 5.929 5.419 1.00 0.00 N ATOM 0 H HIS A 60 5.594 4.245 2.157 1.00 0.00 H new ATOM 0 HA HIS A 60 8.004 2.658 2.547 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.348 2.207 3.903 1.00 0.00 H new ATOM 0 HB3 HIS A 60 6.962 1.929 4.525 1.00 0.00 H new ATOM 0 HD1 HIS A 60 8.316 4.017 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.355 4.800 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.739 6.305 6.338 1.00 0.00 H new ATOM 900 N TYR A 61 7.431 0.678 1.197 1.00 0.00 N ATOM 901 CA TYR A 61 7.135 -0.529 0.433 1.00 0.00 C ATOM 902 C TYR A 61 7.788 -1.751 1.071 1.00 0.00 C ATOM 903 O TYR A 61 8.978 -1.739 1.386 1.00 0.00 O ATOM 904 CB TYR A 61 7.616 -0.375 -1.011 1.00 0.00 C ATOM 905 CG TYR A 61 9.080 -0.706 -1.199 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.502 -2.021 -1.347 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.040 0.298 -1.231 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.838 -2.328 -1.519 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.378 0.001 -1.404 1.00 0.00 C ATOM 910 CZ TYR A 61 11.772 -1.313 -1.547 1.00 0.00 C ATOM 911 OH TYR A 61 13.104 -1.615 -1.719 1.00 0.00 O ATOM 0 H TYR A 61 8.425 0.894 1.276 1.00 0.00 H new ATOM 0 HA TYR A 61 6.055 -0.674 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.020 -1.022 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.439 0.650 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.773 -2.818 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.735 1.328 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.149 -3.356 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.111 0.793 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 61 13.550 -0.874 -2.180 1.00 0.00 H new ATOM 921 N ILE A 62 6.999 -2.804 1.258 1.00 0.00 N ATOM 922 CA ILE A 62 7.500 -4.036 1.857 1.00 0.00 C ATOM 923 C ILE A 62 7.329 -5.217 0.908 1.00 0.00 C ATOM 924 O ILE A 62 6.210 -5.660 0.647 1.00 0.00 O ATOM 925 CB ILE A 62 6.782 -4.349 3.183 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.907 -3.167 4.147 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.354 -5.612 3.809 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.990 -3.266 5.346 1.00 0.00 C ATOM 0 H ILE A 62 6.011 -2.829 1.004 1.00 0.00 H new ATOM 0 HA ILE A 62 8.561 -3.883 2.055 1.00 0.00 H new ATOM 0 HB ILE A 62 5.725 -4.515 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.938 -3.098 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.689 -2.245 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.837 -5.820 4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.219 -6.450 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.417 -5.472 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.132 -2.395 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.954 -3.304 5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.222 -4.171 5.908 1.00 0.00 H new ATOM 940 N CYS A 63 8.446 -5.724 0.397 1.00 0.00 N ATOM 941 CA CYS A 63 8.420 -6.856 -0.523 1.00 0.00 C ATOM 942 C CYS A 63 8.287 -8.171 0.237 1.00 0.00 C ATOM 943 O CYS A 63 9.023 -8.425 1.190 1.00 0.00 O ATOM 944 CB CYS A 63 9.688 -6.873 -1.378 1.00 0.00 C ATOM 945 SG CYS A 63 9.492 -7.703 -2.972 1.00 0.00 S ATOM 0 H CYS A 63 9.380 -5.370 0.604 1.00 0.00 H new ATOM 0 HA CYS A 63 7.553 -6.744 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.010 -5.846 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.484 -7.366 -0.819 1.00 0.00 H new ATOM 0 HG CYS A 63 10.366 -8.660 -3.073 1.00 0.00 H new ATOM 951 N GLN A 64 7.343 -9.003 -0.191 1.00 0.00 N ATOM 952 CA GLN A 64 7.112 -10.291 0.452 1.00 0.00 C ATOM 953 C GLN A 64 6.315 -11.219 -0.459 1.00 0.00 C ATOM 954 O GLN A 64 5.253 -10.849 -0.962 1.00 0.00 O ATOM 955 CB GLN A 64 6.372 -10.098 1.777 1.00 0.00 C ATOM 956 CG GLN A 64 6.381 -11.333 2.664 1.00 0.00 C ATOM 957 CD GLN A 64 7.756 -11.639 3.224 1.00 0.00 C ATOM 958 OE1 GLN A 64 8.737 -10.973 2.891 1.00 0.00 O ATOM 959 NE2 GLN A 64 7.835 -12.650 4.081 1.00 0.00 N ATOM 0 H GLN A 64 6.726 -8.808 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 64 8.081 -10.750 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.825 -9.268 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.339 -9.817 1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.681 -11.189 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.027 -12.190 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.996 -13.175 4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.734 -12.902 4.491 1.00 0.00 H new ATOM 968 N ASP A 65 6.833 -12.424 -0.668 1.00 0.00 N ATOM 969 CA ASP A 65 6.170 -13.405 -1.518 1.00 0.00 C ATOM 970 C ASP A 65 5.925 -12.838 -2.913 1.00 0.00 C ATOM 971 O ASP A 65 4.891 -13.100 -3.528 1.00 0.00 O ATOM 972 CB ASP A 65 4.844 -13.841 -0.892 1.00 0.00 C ATOM 973 CG ASP A 65 4.454 -15.252 -1.287 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.692 -15.629 -2.453 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.911 -15.979 -0.429 1.00 0.00 O ATOM 0 H ASP A 65 7.711 -12.745 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 65 6.824 -14.273 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.920 -13.779 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.057 -13.151 -1.197 1.00 0.00 H new ATOM 980 N ARG A 66 6.882 -12.059 -3.407 1.00 0.00 N ATOM 981 CA ARG A 66 6.769 -11.453 -4.728 1.00 0.00 C ATOM 982 C ARG A 66 5.645 -10.421 -4.758 1.00 0.00 C ATOM 983 O ARG A 66 5.041 -10.179 -5.803 1.00 0.00 O ATOM 984 CB ARG A 66 6.517 -12.529 -5.786 1.00 0.00 C ATOM 985 CG ARG A 66 7.532 -13.660 -5.758 1.00 0.00 C ATOM 986 CD ARG A 66 8.777 -13.311 -6.558 1.00 0.00 C ATOM 987 NE ARG A 66 9.475 -14.503 -7.033 1.00 0.00 N ATOM 988 CZ ARG A 66 10.281 -15.234 -6.271 1.00 0.00 C ATOM 989 NH1 ARG A 66 10.489 -14.898 -5.006 1.00 0.00 N ATOM 990 NH2 ARG A 66 10.881 -16.306 -6.775 1.00 0.00 N ATOM 0 H ARG A 66 7.745 -11.833 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 66 7.709 -10.948 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.520 -12.944 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.529 -12.066 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.810 -13.876 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.080 -14.566 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.498 -12.691 -7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.451 -12.719 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 66 9.336 -14.790 -8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.030 -14.076 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.109 -15.462 -4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.723 -16.569 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.500 -16.867 -6.189 1.00 0.00 H new ATOM 1004 N ILE A 67 5.372 -9.818 -3.607 1.00 0.00 N ATOM 1005 CA ILE A 67 4.322 -8.812 -3.502 1.00 0.00 C ATOM 1006 C ILE A 67 4.845 -7.536 -2.852 1.00 0.00 C ATOM 1007 O ILE A 67 5.484 -7.579 -1.801 1.00 0.00 O ATOM 1008 CB ILE A 67 3.122 -9.334 -2.690 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.722 -10.731 -3.170 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.948 -8.373 -2.803 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.211 -10.758 -4.593 1.00 0.00 C ATOM 0 H ILE A 67 5.863 -10.008 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 67 3.995 -8.591 -4.518 1.00 0.00 H new ATOM 0 HB ILE A 67 3.413 -9.400 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.583 -11.394 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.952 -11.127 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.108 -8.756 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.239 -7.396 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.655 -8.278 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.947 -11.780 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.330 -10.121 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.987 -10.393 -5.265 1.00 0.00 H new ATOM 1023 N VAL A 68 4.568 -6.400 -3.484 1.00 0.00 N ATOM 1024 CA VAL A 68 5.009 -5.110 -2.966 1.00 0.00 C ATOM 1025 C VAL A 68 3.831 -4.299 -2.439 1.00 0.00 C ATOM 1026 O VAL A 68 2.867 -4.043 -3.162 1.00 0.00 O ATOM 1027 CB VAL A 68 5.740 -4.292 -4.046 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.186 -2.949 -3.488 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.926 -5.071 -4.593 1.00 0.00 C ATOM 0 H VAL A 68 4.040 -6.347 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 68 5.700 -5.316 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 68 5.047 -4.106 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.701 -2.385 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.315 -2.388 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.862 -3.110 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.431 -4.477 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.622 -5.290 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.576 -6.005 -5.033 1.00 0.00 H new ATOM 1039 N TYR A 69 3.914 -3.896 -1.176 1.00 0.00 N ATOM 1040 CA TYR A 69 2.854 -3.114 -0.551 1.00 0.00 C ATOM 1041 C TYR A 69 3.288 -1.664 -0.358 1.00 0.00 C ATOM 1042 O TYR A 69 3.962 -1.330 0.617 1.00 0.00 O ATOM 1043 CB TYR A 69 2.466 -3.726 0.796 1.00 0.00 C ATOM 1044 CG TYR A 69 2.022 -5.168 0.700 1.00 0.00 C ATOM 1045 CD1 TYR A 69 2.936 -6.182 0.439 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.688 -5.518 0.870 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.535 -7.501 0.350 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.278 -6.834 0.784 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.205 -7.822 0.524 1.00 0.00 C ATOM 1050 OH TYR A 69 0.800 -9.134 0.436 1.00 0.00 O ATOM 0 H TYR A 69 4.705 -4.098 -0.565 1.00 0.00 H new ATOM 0 HA TYR A 69 1.988 -3.130 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.317 -3.661 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.662 -3.136 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.978 -5.934 0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.041 -4.747 1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.259 -8.276 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.763 -7.088 0.920 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.154 -9.168 0.215 1.00 0.00 H new ATOM 1060 N LEU A 70 2.895 -0.807 -1.293 1.00 0.00 N ATOM 1061 CA LEU A 70 3.242 0.609 -1.227 1.00 0.00 C ATOM 1062 C LEU A 70 2.114 1.417 -0.594 1.00 0.00 C ATOM 1063 O LEU A 70 0.937 1.100 -0.768 1.00 0.00 O ATOM 1064 CB LEU A 70 3.545 1.146 -2.627 1.00 0.00 C ATOM 1065 CG LEU A 70 4.232 2.510 -2.689 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.105 2.613 -3.930 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.200 3.628 -2.666 1.00 0.00 C ATOM 0 H LEU A 70 2.336 -1.067 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 70 4.131 0.711 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.174 0.421 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.608 1.208 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 70 4.871 2.614 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.586 3.591 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.867 1.834 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.488 2.487 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.707 4.592 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.535 3.527 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.618 3.567 -1.747 1.00 0.00 H new ATOM 1079 N CYS A 71 2.481 2.461 0.140 1.00 0.00 N ATOM 1080 CA CYS A 71 1.500 3.316 0.799 1.00 0.00 C ATOM 1081 C CYS A 71 2.033 4.737 0.951 1.00 0.00 C ATOM 1082 O CYS A 71 3.130 4.947 1.469 1.00 0.00 O ATOM 1083 CB CYS A 71 1.134 2.745 2.169 1.00 0.00 C ATOM 1084 SG CYS A 71 2.282 3.202 3.489 1.00 0.00 S ATOM 0 H CYS A 71 3.451 2.736 0.294 1.00 0.00 H new ATOM 0 HA CYS A 71 0.605 3.348 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.134 3.086 2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.092 1.658 2.098 1.00 0.00 H new ATOM 0 HG CYS A 71 3.048 4.171 3.082 1.00 0.00 H new ATOM 1090 N ILE A 72 1.249 5.709 0.496 1.00 0.00 N ATOM 1091 CA ILE A 72 1.642 7.110 0.582 1.00 0.00 C ATOM 1092 C ILE A 72 1.230 7.716 1.920 1.00 0.00 C ATOM 1093 O ILE A 72 0.062 7.662 2.305 1.00 0.00 O ATOM 1094 CB ILE A 72 1.021 7.940 -0.557 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.582 7.491 -1.908 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.282 9.422 -0.335 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.669 7.800 -3.074 1.00 0.00 C ATOM 0 H ILE A 72 0.338 5.552 0.064 1.00 0.00 H new ATOM 0 HA ILE A 72 2.728 7.139 0.492 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.057 7.777 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.544 7.976 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.767 6.417 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.837 9.996 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.840 9.732 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.357 9.602 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.130 7.454 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.286 7.293 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.503 8.876 -3.131 1.00 0.00 H new ATOM 1109 N THR A 73 2.198 8.294 2.625 1.00 0.00 N ATOM 1110 CA THR A 73 1.937 8.911 3.919 1.00 0.00 C ATOM 1111 C THR A 73 2.688 10.230 4.061 1.00 0.00 C ATOM 1112 O THR A 73 3.660 10.482 3.348 1.00 0.00 O ATOM 1113 CB THR A 73 2.337 7.978 5.077 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.763 7.932 5.199 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.797 6.573 4.852 1.00 0.00 C ATOM 0 H THR A 73 3.170 8.347 2.321 1.00 0.00 H new ATOM 0 HA THR A 73 0.865 9.100 3.968 1.00 0.00 H new ATOM 0 HB THR A 73 1.906 8.373 5.997 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.051 7.004 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.092 5.932 5.683 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.709 6.607 4.789 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.202 6.172 3.923 1.00 0.00 H new ATOM 1123 N ASP A 74 2.233 11.068 4.986 1.00 0.00 N ATOM 1124 CA ASP A 74 2.864 12.361 5.223 1.00 0.00 C ATOM 1125 C ASP A 74 4.239 12.186 5.861 1.00 0.00 C ATOM 1126 O ASP A 74 4.491 11.202 6.557 1.00 0.00 O ATOM 1127 CB ASP A 74 1.979 13.227 6.120 1.00 0.00 C ATOM 1128 CG ASP A 74 2.420 14.677 6.142 1.00 0.00 C ATOM 1129 OD1 ASP A 74 2.829 15.190 5.079 1.00 0.00 O ATOM 1130 OD2 ASP A 74 2.357 15.300 7.223 1.00 0.00 O ATOM 0 H ASP A 74 1.429 10.875 5.584 1.00 0.00 H new ATOM 0 HA ASP A 74 2.990 12.858 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.948 13.169 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.996 12.830 7.135 1.00 0.00 H new ATOM 1135 N ASP A 75 5.124 13.146 5.617 1.00 0.00 N ATOM 1136 CA ASP A 75 6.474 13.098 6.167 1.00 0.00 C ATOM 1137 C ASP A 75 6.437 12.989 7.688 1.00 0.00 C ATOM 1138 O ASP A 75 7.106 12.138 8.276 1.00 0.00 O ATOM 1139 CB ASP A 75 7.261 14.342 5.751 1.00 0.00 C ATOM 1140 CG ASP A 75 6.892 15.562 6.571 1.00 0.00 C ATOM 1141 OD1 ASP A 75 5.758 16.061 6.413 1.00 0.00 O ATOM 1142 OD2 ASP A 75 7.736 16.019 7.370 1.00 0.00 O ATOM 0 H ASP A 75 4.931 13.966 5.042 1.00 0.00 H new ATOM 0 HA ASP A 75 6.971 12.213 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.328 14.146 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.078 14.548 4.696 1.00 0.00 H new ATOM 1147 N ASP A 76 5.654 13.856 8.320 1.00 0.00 N ATOM 1148 CA ASP A 76 5.529 13.858 9.773 1.00 0.00 C ATOM 1149 C ASP A 76 5.136 12.476 10.286 1.00 0.00 C ATOM 1150 O ASP A 76 5.686 11.990 11.274 1.00 0.00 O ATOM 1151 CB ASP A 76 4.496 14.894 10.216 1.00 0.00 C ATOM 1152 CG ASP A 76 4.444 15.051 11.723 1.00 0.00 C ATOM 1153 OD1 ASP A 76 5.197 15.891 12.259 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.649 14.335 12.367 1.00 0.00 O ATOM 0 H ASP A 76 5.096 14.567 7.848 1.00 0.00 H new ATOM 0 HA ASP A 76 6.498 14.120 10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.732 15.856 9.761 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.512 14.601 9.850 1.00 0.00 H new ATOM 1159 N PHE A 77 4.181 11.849 9.608 1.00 0.00 N ATOM 1160 CA PHE A 77 3.712 10.524 9.997 1.00 0.00 C ATOM 1161 C PHE A 77 4.882 9.625 10.386 1.00 0.00 C ATOM 1162 O PHE A 77 5.874 9.534 9.663 1.00 0.00 O ATOM 1163 CB PHE A 77 2.921 9.884 8.854 1.00 0.00 C ATOM 1164 CG PHE A 77 1.959 8.825 9.311 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.798 9.168 9.985 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.216 7.485 9.067 1.00 0.00 C ATOM 1167 CE1 PHE A 77 -0.090 8.196 10.406 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.332 6.508 9.485 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.178 6.864 10.156 1.00 0.00 C ATOM 0 H PHE A 77 3.717 12.237 8.787 1.00 0.00 H new ATOM 0 HA PHE A 77 3.060 10.637 10.863 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.369 10.661 8.325 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.619 9.446 8.140 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.584 10.208 10.184 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.117 7.201 8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.992 8.477 10.929 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.543 5.467 9.287 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.513 6.102 10.485 1.00 0.00 H new ATOM 1179 N GLU A 78 4.758 8.964 11.532 1.00 0.00 N ATOM 1180 CA GLU A 78 5.806 8.074 12.018 1.00 0.00 C ATOM 1181 C GLU A 78 5.945 6.853 11.113 1.00 0.00 C ATOM 1182 O GLU A 78 5.003 6.471 10.419 1.00 0.00 O ATOM 1183 CB GLU A 78 5.505 7.629 13.450 1.00 0.00 C ATOM 1184 CG GLU A 78 6.744 7.255 14.245 1.00 0.00 C ATOM 1185 CD GLU A 78 7.853 8.281 14.114 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.859 9.250 14.902 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.713 8.116 13.224 1.00 0.00 O ATOM 0 H GLU A 78 3.943 9.028 12.141 1.00 0.00 H new ATOM 0 HA GLU A 78 6.748 8.623 12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.980 8.432 13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.830 6.773 13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.477 7.146 15.296 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.109 6.285 13.907 1.00 0.00 H new ATOM 1194 N ARG A 79 7.128 6.247 11.126 1.00 0.00 N ATOM 1195 CA ARG A 79 7.392 5.071 10.305 1.00 0.00 C ATOM 1196 C ARG A 79 6.709 3.837 10.888 1.00 0.00 C ATOM 1197 O ARG A 79 5.979 3.132 10.192 1.00 0.00 O ATOM 1198 CB ARG A 79 8.898 4.828 10.194 1.00 0.00 C ATOM 1199 CG ARG A 79 9.575 5.679 9.131 1.00 0.00 C ATOM 1200 CD ARG A 79 11.090 5.592 9.229 1.00 0.00 C ATOM 1201 NE ARG A 79 11.745 6.759 8.644 1.00 0.00 N ATOM 1202 CZ ARG A 79 13.063 6.900 8.568 1.00 0.00 C ATOM 1203 NH1 ARG A 79 13.863 5.953 9.037 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.584 7.991 8.020 1.00 0.00 N ATOM 0 H ARG A 79 7.918 6.551 11.695 1.00 0.00 H new ATOM 0 HA ARG A 79 6.986 5.255 9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.362 5.030 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.072 3.776 9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.254 5.351 8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.261 6.717 9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.381 5.500 10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.435 4.691 8.722 1.00 0.00 H new ATOM 0 HE ARG A 79 11.158 7.506 8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.467 5.113 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.875 6.065 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.972 8.722 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.597 8.099 7.962 1.00 0.00 H new ATOM 1218 N SER A 80 6.953 3.581 12.170 1.00 0.00 N ATOM 1219 CA SER A 80 6.366 2.430 12.845 1.00 0.00 C ATOM 1220 C SER A 80 4.905 2.252 12.444 1.00 0.00 C ATOM 1221 O SER A 80 4.479 1.157 12.079 1.00 0.00 O ATOM 1222 CB SER A 80 6.474 2.593 14.362 1.00 0.00 C ATOM 1223 OG SER A 80 7.827 2.710 14.768 1.00 0.00 O ATOM 0 H SER A 80 7.553 4.156 12.761 1.00 0.00 H new ATOM 0 HA SER A 80 6.919 1.541 12.542 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.919 3.477 14.676 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.016 1.737 14.856 1.00 0.00 H new ATOM 0 HG SER A 80 7.869 2.815 15.741 1.00 0.00 H new ATOM 1229 N ARG A 81 4.142 3.338 12.515 1.00 0.00 N ATOM 1230 CA ARG A 81 2.728 3.303 12.161 1.00 0.00 C ATOM 1231 C ARG A 81 2.536 2.774 10.743 1.00 0.00 C ATOM 1232 O ARG A 81 1.835 1.786 10.529 1.00 0.00 O ATOM 1233 CB ARG A 81 2.115 4.700 12.284 1.00 0.00 C ATOM 1234 CG ARG A 81 1.894 5.143 13.721 1.00 0.00 C ATOM 1235 CD ARG A 81 1.721 6.651 13.818 1.00 0.00 C ATOM 1236 NE ARG A 81 0.347 7.063 13.542 1.00 0.00 N ATOM 1237 CZ ARG A 81 -0.656 6.894 14.396 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.440 6.324 15.574 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -1.879 7.295 14.073 1.00 0.00 N ATOM 0 H ARG A 81 4.479 4.253 12.814 1.00 0.00 H new ATOM 0 HA ARG A 81 2.222 2.630 12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.767 5.419 11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.161 4.717 11.757 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.011 4.648 14.124 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.741 4.833 14.333 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.006 6.985 14.816 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.394 7.139 13.114 1.00 0.00 H new ATOM 0 HE ARG A 81 0.147 7.505 12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.498 6.014 15.826 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.212 6.196 16.228 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.050 7.734 13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.649 7.165 14.730 1.00 0.00 H new ATOM 1253 N ALA A 82 3.162 3.441 9.779 1.00 0.00 N ATOM 1254 CA ALA A 82 3.061 3.037 8.382 1.00 0.00 C ATOM 1255 C ALA A 82 3.406 1.562 8.210 1.00 0.00 C ATOM 1256 O ALA A 82 2.592 0.776 7.723 1.00 0.00 O ATOM 1257 CB ALA A 82 3.970 3.897 7.517 1.00 0.00 C ATOM 0 H ALA A 82 3.744 4.263 9.940 1.00 0.00 H new ATOM 0 HA ALA A 82 2.029 3.181 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.884 3.584 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.675 4.943 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.002 3.781 7.847 1.00 0.00 H new ATOM 1263 N PHE A 83 4.617 1.191 8.613 1.00 0.00 N ATOM 1264 CA PHE A 83 5.069 -0.191 8.502 1.00 0.00 C ATOM 1265 C PHE A 83 4.090 -1.141 9.186 1.00 0.00 C ATOM 1266 O PHE A 83 3.819 -2.233 8.689 1.00 0.00 O ATOM 1267 CB PHE A 83 6.461 -0.345 9.119 1.00 0.00 C ATOM 1268 CG PHE A 83 7.563 0.201 8.256 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.787 -0.311 6.989 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.374 1.228 8.712 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.801 0.189 6.194 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.388 1.733 7.921 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.601 1.213 6.660 1.00 0.00 C ATOM 0 H PHE A 83 5.303 1.828 9.019 1.00 0.00 H new ATOM 0 HA PHE A 83 5.117 -0.447 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.480 0.162 10.083 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.650 -1.401 9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.162 -1.110 6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.211 1.639 9.698 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.967 -0.221 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.013 2.533 8.289 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.392 1.607 6.039 1.00 0.00 H new ATOM 1283 N ASN A 84 3.563 -0.715 10.329 1.00 0.00 N ATOM 1284 CA ASN A 84 2.614 -1.528 11.082 1.00 0.00 C ATOM 1285 C ASN A 84 1.405 -1.888 10.225 1.00 0.00 C ATOM 1286 O ASN A 84 1.204 -3.050 9.873 1.00 0.00 O ATOM 1287 CB ASN A 84 2.159 -0.783 12.339 1.00 0.00 C ATOM 1288 CG ASN A 84 1.490 -1.701 13.344 1.00 0.00 C ATOM 1289 OD1 ASN A 84 2.014 -2.765 13.675 1.00 0.00 O ATOM 1290 ND2 ASN A 84 0.326 -1.293 13.835 1.00 0.00 N ATOM 0 H ASN A 84 3.776 0.187 10.754 1.00 0.00 H new ATOM 0 HA ASN A 84 3.116 -2.450 11.375 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.020 -0.303 12.805 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.466 0.010 12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.171 -1.869 14.515 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.072 -0.404 13.532 1.00 0.00 H new ATOM 1297 N PHE A 85 0.603 -0.882 9.890 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.587 -1.092 9.074 1.00 0.00 C ATOM 1299 C PHE A 85 -0.277 -1.995 7.883 1.00 0.00 C ATOM 1300 O PHE A 85 -0.960 -2.993 7.652 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.137 0.248 8.583 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.959 0.136 7.331 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.310 -0.166 7.398 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.382 0.334 6.087 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.068 -0.271 6.247 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.135 0.231 4.933 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.480 -0.071 5.013 1.00 0.00 C ATOM 0 H PHE A 85 0.756 0.086 10.171 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.340 -1.581 9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.747 0.692 9.370 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.305 0.929 8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.776 -0.321 8.360 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.331 0.572 6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.119 -0.509 6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.672 0.387 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.071 -0.151 4.113 1.00 0.00 H new ATOM 1317 N LEU A 86 0.756 -1.635 7.130 1.00 0.00 N ATOM 1318 CA LEU A 86 1.158 -2.411 5.961 1.00 0.00 C ATOM 1319 C LEU A 86 1.307 -3.888 6.313 1.00 0.00 C ATOM 1320 O LEU A 86 0.787 -4.758 5.616 1.00 0.00 O ATOM 1321 CB LEU A 86 2.474 -1.875 5.396 1.00 0.00 C ATOM 1322 CG LEU A 86 2.405 -0.505 4.721 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.802 0.000 4.394 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.553 -0.572 3.462 1.00 0.00 C ATOM 0 H LEU A 86 1.331 -0.811 7.307 1.00 0.00 H new ATOM 0 HA LEU A 86 0.379 -2.313 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.200 -1.822 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.856 -2.595 4.673 1.00 0.00 H new ATOM 0 HG LEU A 86 1.940 0.196 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.733 0.976 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.382 0.088 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.294 -0.701 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.515 0.412 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.989 -1.288 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.543 -0.889 3.723 1.00 0.00 H new ATOM 1336 N ASN A 87 2.019 -4.163 7.401 1.00 0.00 N ATOM 1337 CA ASN A 87 2.235 -5.534 7.847 1.00 0.00 C ATOM 1338 C ASN A 87 0.907 -6.234 8.117 1.00 0.00 C ATOM 1339 O ASN A 87 0.714 -7.388 7.736 1.00 0.00 O ATOM 1340 CB ASN A 87 3.099 -5.552 9.110 1.00 0.00 C ATOM 1341 CG ASN A 87 3.890 -6.839 9.251 1.00 0.00 C ATOM 1342 OD1 ASN A 87 3.503 -7.879 8.720 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.004 -6.772 9.971 1.00 0.00 N ATOM 0 H ASN A 87 2.456 -3.454 7.990 1.00 0.00 H new ATOM 0 HA ASN A 87 2.753 -6.070 7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.787 -4.707 9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.462 -5.423 9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.578 -7.605 10.102 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.286 -5.887 10.393 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.006 -5.527 8.776 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.316 -6.081 9.096 1.00 0.00 C ATOM 1352 C GLU A 88 -2.009 -6.600 7.840 1.00 0.00 C ATOM 1353 O GLU A 88 -2.205 -7.805 7.679 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.190 -5.024 9.775 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.788 -4.731 11.210 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.500 -5.623 12.209 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.110 -6.803 12.334 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -3.448 -5.142 12.864 1.00 0.00 O ATOM 0 H GLU A 88 0.138 -4.570 9.098 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.171 -6.916 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.143 -4.101 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.228 -5.358 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.711 -4.861 11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.007 -3.688 11.439 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.379 -5.682 6.953 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.049 -6.046 5.712 1.00 0.00 C ATOM 1367 C ILE A 89 -2.185 -6.982 4.874 1.00 0.00 C ATOM 1368 O ILE A 89 -2.683 -7.935 4.274 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.398 -4.801 4.874 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.167 -3.908 4.711 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.538 -4.029 5.523 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.403 -2.712 3.815 1.00 0.00 C ATOM 0 H ILE A 89 -2.226 -4.681 7.072 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.971 -6.557 5.990 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.721 -5.125 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.849 -3.559 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.349 -4.502 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.773 -3.152 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.418 -4.669 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.240 -3.712 6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.488 -2.124 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.692 -3.053 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.199 -2.096 4.233 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.886 -6.707 4.839 1.00 0.00 N ATOM 1385 CA LYS A 90 0.051 -7.525 4.078 1.00 0.00 C ATOM 1386 C LYS A 90 -0.120 -9.003 4.416 1.00 0.00 C ATOM 1387 O LYS A 90 -0.250 -9.843 3.525 1.00 0.00 O ATOM 1388 CB LYS A 90 1.490 -7.089 4.363 1.00 0.00 C ATOM 1389 CG LYS A 90 2.535 -7.993 3.734 1.00 0.00 C ATOM 1390 CD LYS A 90 3.944 -7.550 4.091 1.00 0.00 C ATOM 1391 CE LYS A 90 4.412 -8.177 5.395 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.711 -7.608 5.850 1.00 0.00 N ATOM 0 H LYS A 90 -0.457 -5.922 5.330 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.161 -7.385 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.632 -6.073 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.646 -7.063 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.379 -9.018 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.415 -7.990 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.628 -7.825 3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.974 -6.464 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.657 -8.019 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.514 -9.254 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.020 -8.097 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.426 -7.735 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.595 -6.594 6.049 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.120 -9.314 5.707 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.278 -10.690 6.163 1.00 0.00 C ATOM 1408 C LYS A 91 -1.686 -11.200 5.876 1.00 0.00 C ATOM 1409 O LYS A 91 -1.884 -12.386 5.608 1.00 0.00 O ATOM 1410 CB LYS A 91 0.016 -10.789 7.662 1.00 0.00 C ATOM 1411 CG LYS A 91 1.487 -10.621 8.006 1.00 0.00 C ATOM 1412 CD LYS A 91 1.820 -11.246 9.350 1.00 0.00 C ATOM 1413 CE LYS A 91 2.228 -12.704 9.201 1.00 0.00 C ATOM 1414 NZ LYS A 91 2.372 -13.377 10.521 1.00 0.00 N ATOM 0 H LYS A 91 -0.012 -8.631 6.457 1.00 0.00 H new ATOM 0 HA LYS A 91 0.433 -11.311 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.561 -10.028 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.326 -11.757 8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.098 -11.080 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.739 -9.561 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.628 -10.687 9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.955 -11.175 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.483 -13.230 8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.171 -12.764 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.651 -14.368 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.101 -12.890 11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.465 -13.343 11.029 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.661 -10.298 5.933 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.050 -10.658 5.679 1.00 0.00 C ATOM 1430 C ARG A 92 -4.258 -11.020 4.211 1.00 0.00 C ATOM 1431 O ARG A 92 -5.075 -11.881 3.883 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.977 -9.504 6.067 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.330 -9.478 7.545 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.700 -8.860 7.779 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.173 -9.080 9.143 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.456 -9.072 9.486 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -9.390 -8.858 8.569 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.808 -9.280 10.749 1.00 0.00 N ATOM 0 H ARG A 92 -2.514 -9.313 6.153 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.291 -11.529 6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.501 -8.561 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.895 -9.575 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.315 -10.493 7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.576 -8.911 8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.654 -7.789 7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.415 -9.285 7.074 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.480 -9.249 9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.124 -8.699 7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.375 -8.852 8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.093 -9.446 11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.794 -9.274 11.011 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.515 -10.357 3.332 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.618 -10.608 1.899 1.00 0.00 C ATOM 1454 C PHE A 93 -2.949 -11.928 1.528 1.00 0.00 C ATOM 1455 O PHE A 93 -3.547 -12.773 0.864 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.982 -9.461 1.112 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.103 -9.616 -0.377 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.257 -9.222 -1.036 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.064 -10.156 -1.118 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.371 -9.363 -2.406 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.173 -10.299 -2.488 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.329 -9.903 -3.133 1.00 0.00 C ATOM 0 H PHE A 93 -2.834 -9.641 3.587 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.675 -10.673 1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.450 -8.523 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.927 -9.390 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.076 -8.800 -0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.159 -10.469 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.275 -9.051 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.355 -10.720 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.417 -10.016 -4.203 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.703 -12.095 1.962 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.952 -13.311 1.674 1.00 0.00 C ATOM 1474 C GLN A 94 -1.549 -14.507 2.409 1.00 0.00 C ATOM 1475 O GLN A 94 -1.351 -15.655 2.012 1.00 0.00 O ATOM 1476 CB GLN A 94 0.515 -13.134 2.071 1.00 0.00 C ATOM 1477 CG GLN A 94 0.711 -12.781 3.536 1.00 0.00 C ATOM 1478 CD GLN A 94 2.103 -12.257 3.829 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.439 -11.110 3.251 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 2.870 -12.877 4.567 1.00 0.00 N flip ATOM 0 H GLN A 94 -1.194 -11.404 2.513 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.012 -13.500 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.055 -14.055 1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.957 -12.351 1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.024 -12.030 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.523 -13.664 4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.571 -13.755 4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.804 -12.512 4.754 1.00 0.00 H new ATOM 1489 N THR A 95 -2.281 -14.230 3.483 1.00 0.00 N ATOM 1490 CA THR A 95 -2.906 -15.282 4.274 1.00 0.00 C ATOM 1491 C THR A 95 -4.219 -15.735 3.647 1.00 0.00 C ATOM 1492 O THR A 95 -4.533 -16.926 3.628 1.00 0.00 O ATOM 1493 CB THR A 95 -3.174 -14.816 5.718 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.941 -14.731 6.442 1.00 0.00 O ATOM 1495 CG2 THR A 95 -4.120 -15.772 6.428 1.00 0.00 C ATOM 0 H THR A 95 -2.456 -13.285 3.825 1.00 0.00 H new ATOM 0 HA THR A 95 -2.208 -16.119 4.294 1.00 0.00 H new ATOM 0 HB THR A 95 -3.640 -13.831 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.570 -13.828 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.294 -15.423 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.068 -15.812 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.677 -16.767 6.457 1.00 0.00 H new ATOM 1503 N THR A 96 -4.986 -14.778 3.132 1.00 0.00 N ATOM 1504 CA THR A 96 -6.266 -15.079 2.504 1.00 0.00 C ATOM 1505 C THR A 96 -6.139 -15.113 0.986 1.00 0.00 C ATOM 1506 O THR A 96 -6.314 -16.159 0.361 1.00 0.00 O ATOM 1507 CB THR A 96 -7.340 -14.046 2.895 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.451 -13.970 4.321 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.688 -14.414 2.295 1.00 0.00 C ATOM 0 H THR A 96 -4.742 -13.788 3.138 1.00 0.00 H new ATOM 0 HA THR A 96 -6.570 -16.062 2.862 1.00 0.00 H new ATOM 0 HB THR A 96 -7.039 -13.075 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.770 -13.358 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.430 -13.670 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.607 -14.442 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.994 -15.394 2.661 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.832 -13.962 0.397 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.683 -13.860 -1.050 1.00 0.00 C ATOM 1519 C TYR A 97 -4.223 -14.025 -1.460 1.00 0.00 C ATOM 1520 O TYR A 97 -3.765 -13.415 -2.426 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.215 -12.514 -1.545 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.582 -12.166 -1.001 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.616 -13.095 -1.019 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.840 -10.909 -0.468 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.867 -12.781 -0.524 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.088 -10.587 0.031 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.098 -11.526 0.000 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.342 -11.210 0.496 1.00 0.00 O ATOM 0 H TYR A 97 -5.682 -13.087 0.899 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.263 -14.662 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.512 -11.730 -1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.260 -12.529 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.438 -14.079 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.052 -10.171 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.660 -13.514 -0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.271 -9.606 0.443 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.281 -10.395 1.037 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.496 -14.854 -0.718 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.095 -15.085 -1.019 1.00 0.00 C ATOM 1540 C GLY A 98 -1.902 -15.953 -2.246 1.00 0.00 C ATOM 1541 O GLY A 98 -1.350 -15.504 -3.251 1.00 0.00 O ATOM 0 H GLY A 98 -3.852 -15.370 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.597 -14.128 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.616 -15.560 -0.163 1.00 0.00 H new ATOM 1545 N SER A 99 -2.355 -17.200 -2.165 1.00 0.00 N ATOM 1546 CA SER A 99 -2.224 -18.135 -3.276 1.00 0.00 C ATOM 1547 C SER A 99 -2.672 -17.490 -4.585 1.00 0.00 C ATOM 1548 O SER A 99 -1.936 -17.488 -5.572 1.00 0.00 O ATOM 1549 CB SER A 99 -3.046 -19.397 -3.009 1.00 0.00 C ATOM 1550 OG SER A 99 -2.497 -20.146 -1.938 1.00 0.00 O ATOM 0 H SER A 99 -2.816 -17.586 -1.341 1.00 0.00 H new ATOM 0 HA SER A 99 -1.173 -18.408 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.075 -19.122 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.077 -20.012 -3.909 1.00 0.00 H new ATOM 0 HG SER A 99 -3.041 -20.947 -1.786 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.883 -16.944 -4.583 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.431 -16.297 -5.769 1.00 0.00 C ATOM 1558 C ARG A 100 -3.503 -15.190 -6.262 1.00 0.00 C ATOM 1559 O ARG A 100 -3.349 -14.986 -7.466 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.816 -15.720 -5.468 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.948 -16.709 -5.688 1.00 0.00 C ATOM 1562 CD ARG A 100 -8.292 -16.005 -5.786 1.00 0.00 C ATOM 1563 NE ARG A 100 -9.399 -16.950 -5.908 1.00 0.00 N ATOM 1564 CZ ARG A 100 -9.981 -17.539 -4.869 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -9.564 -17.280 -3.637 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -10.982 -18.388 -5.061 1.00 0.00 N ATOM 0 H ARG A 100 -4.504 -16.937 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.521 -17.049 -6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.840 -15.377 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.981 -14.846 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.765 -17.275 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.971 -17.426 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.441 -15.385 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.289 -15.337 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.744 -17.170 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.795 -16.627 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.012 -17.733 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.306 -18.589 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.428 -18.840 -4.263 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.890 -14.477 -5.323 1.00 0.00 N ATOM 1581 CA ALA A 101 -1.977 -13.393 -5.661 1.00 0.00 C ATOM 1582 C ALA A 101 -0.843 -13.887 -6.553 1.00 0.00 C ATOM 1583 O ALA A 101 -0.128 -13.092 -7.161 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.418 -12.759 -4.396 1.00 0.00 C ATOM 0 H ALA A 101 -3.009 -14.631 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.537 -12.640 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.738 -11.951 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.236 -12.360 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.879 -13.511 -3.820 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.685 -15.205 -6.625 1.00 0.00 N ATOM 1591 CA GLN A 102 0.364 -15.805 -7.441 1.00 0.00 C ATOM 1592 C GLN A 102 -0.215 -16.396 -8.722 1.00 0.00 C ATOM 1593 O GLN A 102 0.474 -16.503 -9.737 1.00 0.00 O ATOM 1594 CB GLN A 102 1.098 -16.889 -6.651 1.00 0.00 C ATOM 1595 CG GLN A 102 1.652 -16.403 -5.322 1.00 0.00 C ATOM 1596 CD GLN A 102 2.568 -15.205 -5.474 1.00 0.00 C ATOM 1597 OE1 GLN A 102 2.056 -14.023 -5.150 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 3.723 -15.339 -5.880 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.270 -15.877 -6.128 1.00 0.00 H new ATOM 0 HA GLN A 102 1.072 -15.022 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.416 -17.719 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.917 -17.277 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.825 -16.142 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.199 -17.215 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.076 -16.266 -6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.327 -14.523 -5.979 1.00 0.00 H new ATOM 1607 N THR A 103 -1.487 -16.781 -8.669 1.00 0.00 N ATOM 1608 CA THR A 103 -2.158 -17.364 -9.823 1.00 0.00 C ATOM 1609 C THR A 103 -3.236 -16.430 -10.362 1.00 0.00 C ATOM 1610 O THR A 103 -3.132 -15.927 -11.480 1.00 0.00 O ATOM 1611 CB THR A 103 -2.798 -18.721 -9.476 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.721 -18.564 -8.391 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.734 -19.741 -9.099 1.00 0.00 C ATOM 0 H THR A 103 -2.073 -16.699 -7.838 1.00 0.00 H new ATOM 0 HA THR A 103 -1.396 -17.515 -10.587 1.00 0.00 H new ATOM 0 HB THR A 103 -3.330 -19.083 -10.356 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.125 -19.431 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.210 -20.691 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.050 -19.880 -9.936 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.178 -19.384 -8.232 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.270 -16.201 -9.559 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.365 -15.325 -9.954 1.00 0.00 C ATOM 1623 C ALA A 104 -4.859 -14.161 -10.799 1.00 0.00 C ATOM 1624 O ALA A 104 -3.788 -13.605 -10.556 1.00 0.00 O ATOM 1625 CB ALA A 104 -6.097 -14.808 -8.725 1.00 0.00 C ATOM 0 H ALA A 104 -4.372 -16.611 -8.630 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.061 -15.905 -10.560 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.913 -14.155 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.500 -15.649 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.403 -14.249 -8.097 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.646 -13.782 -11.818 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.298 -12.681 -12.720 1.00 0.00 C ATOM 1633 C PRO A 105 -5.369 -11.322 -12.031 1.00 0.00 C ATOM 1634 O PRO A 105 -5.871 -11.191 -10.914 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.355 -12.777 -13.822 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.517 -13.448 -13.175 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.936 -14.400 -12.166 1.00 0.00 C ATOM 0 HA PRO A 105 -4.274 -12.762 -13.085 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.626 -11.790 -14.197 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -5.989 -13.352 -14.673 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.170 -12.720 -12.694 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.120 -13.980 -13.911 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.581 -14.503 -11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.804 -15.398 -12.584 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.856 -10.286 -12.710 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.851 -8.918 -12.182 1.00 0.00 C ATOM 1647 C PRO A 106 -6.250 -8.314 -12.124 1.00 0.00 C ATOM 1648 O PRO A 106 -7.108 -8.631 -12.948 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.980 -8.155 -13.183 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.093 -8.928 -14.451 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.242 -10.369 -14.045 1.00 0.00 C ATOM 0 HA PRO A 106 -4.482 -8.878 -11.157 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.330 -7.131 -13.312 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.945 -8.099 -12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.951 -8.596 -15.035 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.210 -8.787 -15.074 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.872 -10.920 -14.743 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.279 -10.879 -14.013 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.473 -7.442 -11.147 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.769 -6.795 -10.980 1.00 0.00 C ATOM 1661 C TYR A 107 -8.876 -7.830 -10.804 1.00 0.00 C ATOM 1662 O TYR A 107 -10.009 -7.622 -11.236 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.075 -5.904 -12.185 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.022 -4.850 -12.443 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -6.836 -3.795 -11.559 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -6.212 -4.911 -13.570 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -5.876 -2.829 -11.790 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -5.248 -3.951 -13.809 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.084 -2.912 -12.917 1.00 0.00 C ATOM 1670 OH TYR A 107 -4.125 -1.953 -13.150 1.00 0.00 O ATOM 0 H TYR A 107 -5.773 -7.167 -10.458 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.727 -6.179 -10.082 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.176 -6.529 -13.072 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.036 -5.414 -12.029 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.453 -3.729 -10.675 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -6.338 -5.723 -14.271 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.746 -2.014 -11.093 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.626 -4.014 -14.690 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.654 -2.158 -13.984 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.538 -8.945 -10.166 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.502 -10.012 -9.929 1.00 0.00 C ATOM 1682 C ALA A 108 -10.128 -9.889 -8.544 1.00 0.00 C ATOM 1683 O ALA A 108 -11.350 -9.903 -8.401 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.837 -11.371 -10.091 1.00 0.00 C ATOM 0 H ALA A 108 -7.603 -9.133 -9.804 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.298 -9.919 -10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.569 -12.158 -9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.444 -11.465 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.021 -11.464 -9.375 1.00 0.00 H new ATOM 1690 N MET A 109 -9.282 -9.770 -7.526 1.00 0.00 N ATOM 1691 CA MET A 109 -9.753 -9.644 -6.152 1.00 0.00 C ATOM 1692 C MET A 109 -9.599 -8.211 -5.653 1.00 0.00 C ATOM 1693 O MET A 109 -9.179 -7.979 -4.521 1.00 0.00 O ATOM 1694 CB MET A 109 -8.984 -10.600 -5.237 1.00 0.00 C ATOM 1695 CG MET A 109 -7.516 -10.238 -5.077 1.00 0.00 C ATOM 1696 SD MET A 109 -6.472 -11.003 -6.332 1.00 0.00 S ATOM 1697 CE MET A 109 -5.600 -12.222 -5.351 1.00 0.00 C ATOM 0 H MET A 109 -8.267 -9.758 -7.627 1.00 0.00 H new ATOM 0 HA MET A 109 -10.811 -9.905 -6.132 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.457 -10.609 -4.255 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.059 -11.611 -5.636 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.405 -9.155 -5.128 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.175 -10.547 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.901 -12.767 -5.985 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.052 -11.722 -4.552 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.316 -12.920 -4.918 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.943 -7.252 -6.507 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.843 -5.841 -6.153 1.00 0.00 C ATOM 1709 C ASN A 110 -11.059 -5.394 -5.348 1.00 0.00 C ATOM 1710 O ASN A 110 -10.958 -4.521 -4.485 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.710 -4.985 -7.415 1.00 0.00 C ATOM 1712 CG ASN A 110 -10.885 -5.159 -8.357 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.267 -6.281 -8.691 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -11.465 -4.046 -8.792 1.00 0.00 N ATOM 0 H ASN A 110 -10.293 -7.427 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.953 -5.709 -5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.627 -3.936 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.789 -5.249 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.260 -4.100 -9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.115 -3.137 -8.489 1.00 0.00 H new ATOM 1721 N SER A 111 -12.207 -5.999 -5.635 1.00 0.00 N ATOM 1722 CA SER A 111 -13.444 -5.662 -4.940 1.00 0.00 C ATOM 1723 C SER A 111 -13.365 -6.057 -3.468 1.00 0.00 C ATOM 1724 O SER A 111 -13.388 -5.202 -2.584 1.00 0.00 O ATOM 1725 CB SER A 111 -14.633 -6.358 -5.604 1.00 0.00 C ATOM 1726 OG SER A 111 -14.829 -5.885 -6.925 1.00 0.00 O ATOM 0 H SER A 111 -12.306 -6.725 -6.344 1.00 0.00 H new ATOM 0 HA SER A 111 -13.584 -4.583 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.465 -7.435 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.534 -6.186 -5.015 1.00 0.00 H new ATOM 0 HG SER A 111 -15.594 -6.347 -7.328 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.272 -7.359 -3.216 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.191 -7.868 -1.852 1.00 0.00 C ATOM 1734 C GLU A 112 -12.156 -7.091 -1.042 1.00 0.00 C ATOM 1735 O GLU A 112 -12.461 -6.555 0.024 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.836 -9.356 -1.859 1.00 0.00 C ATOM 1737 CG GLU A 112 -14.027 -10.264 -2.116 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.506 -10.207 -3.553 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.164 -9.212 -3.921 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -14.221 -11.158 -4.311 1.00 0.00 O ATOM 0 H GLU A 112 -13.251 -8.080 -3.938 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.167 -7.737 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.080 -9.537 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.389 -9.619 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.757 -11.290 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.845 -9.981 -1.453 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.932 -7.036 -1.555 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.851 -6.327 -0.880 1.00 0.00 C ATOM 1749 C PHE A 113 -10.184 -4.846 -0.728 1.00 0.00 C ATOM 1750 O PHE A 113 -10.067 -4.280 0.359 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.542 -6.490 -1.656 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.320 -6.454 -0.785 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.177 -7.344 0.268 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.314 -5.530 -1.017 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.053 -7.314 1.072 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.188 -5.496 -0.217 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.058 -6.388 0.830 1.00 0.00 C ATOM 0 H PHE A 113 -10.663 -7.474 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.732 -6.759 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.565 -7.436 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.470 -5.698 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.953 -8.070 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.411 -4.828 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.953 -8.014 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.410 -4.772 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.180 -6.361 1.458 1.00 0.00 H new ATOM 1767 N SER A 114 -10.599 -4.223 -1.827 1.00 0.00 N ATOM 1768 CA SER A 114 -10.944 -2.806 -1.818 1.00 0.00 C ATOM 1769 C SER A 114 -11.717 -2.444 -0.554 1.00 0.00 C ATOM 1770 O SER A 114 -11.414 -1.452 0.110 1.00 0.00 O ATOM 1771 CB SER A 114 -11.773 -2.454 -3.055 1.00 0.00 C ATOM 1772 OG SER A 114 -12.471 -1.235 -2.871 1.00 0.00 O ATOM 0 H SER A 114 -10.704 -4.677 -2.734 1.00 0.00 H new ATOM 0 HA SER A 114 -10.018 -2.231 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.120 -2.375 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.482 -3.255 -3.261 1.00 0.00 H new ATOM 0 HG SER A 114 -11.901 -0.602 -2.387 1.00 0.00 H new ATOM 1778 N SER A 115 -12.718 -3.255 -0.227 1.00 0.00 N ATOM 1779 CA SER A 115 -13.539 -3.018 0.955 1.00 0.00 C ATOM 1780 C SER A 115 -12.733 -3.249 2.230 1.00 0.00 C ATOM 1781 O SER A 115 -12.746 -2.424 3.144 1.00 0.00 O ATOM 1782 CB SER A 115 -14.766 -3.932 0.942 1.00 0.00 C ATOM 1783 OG SER A 115 -14.385 -5.297 0.939 1.00 0.00 O ATOM 0 H SER A 115 -12.980 -4.082 -0.764 1.00 0.00 H new ATOM 0 HA SER A 115 -13.869 -1.979 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.386 -3.726 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.373 -3.719 0.062 1.00 0.00 H new ATOM 0 HG SER A 115 -13.692 -5.442 0.262 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.032 -4.377 2.284 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.219 -4.717 3.446 1.00 0.00 C ATOM 1791 C VAL A 116 -10.263 -3.584 3.798 1.00 0.00 C ATOM 1792 O VAL A 116 -10.227 -3.118 4.938 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.407 -6.004 3.205 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.481 -6.279 4.380 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.337 -7.183 2.962 1.00 0.00 C ATOM 0 H VAL A 116 -12.011 -5.071 1.537 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.906 -4.880 4.277 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.794 -5.864 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.916 -7.192 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.791 -5.444 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.071 -6.399 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.746 -8.084 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.978 -7.327 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.954 -6.985 2.086 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.488 -3.143 2.813 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.530 -2.062 3.018 1.00 0.00 C ATOM 1807 C LEU A 117 -9.225 -0.811 3.545 1.00 0.00 C ATOM 1808 O LEU A 117 -8.824 -0.250 4.564 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.804 -1.744 1.710 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.708 -2.726 1.294 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.309 -2.497 -0.156 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.499 -2.595 2.209 1.00 0.00 C ATOM 0 H LEU A 117 -9.504 -3.517 1.864 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.802 -2.390 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.543 -1.695 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.361 -0.752 1.796 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.100 -3.739 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.528 -3.205 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.177 -2.642 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.936 -1.480 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.729 -3.301 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.106 -1.580 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.795 -2.810 3.236 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.269 -0.381 2.845 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.023 0.801 3.245 1.00 0.00 C ATOM 1826 C ALA A 118 -11.295 0.796 4.745 1.00 0.00 C ATOM 1827 O ALA A 118 -11.124 1.811 5.419 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.329 0.881 2.469 1.00 0.00 C ATOM 0 H ALA A 118 -10.612 -0.833 1.998 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.422 1.681 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.882 1.768 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.115 0.940 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.927 -0.008 2.671 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.722 -0.352 5.261 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.017 -0.488 6.682 1.00 0.00 C ATOM 1836 C ALA A 119 -10.758 -0.306 7.524 1.00 0.00 C ATOM 1837 O ALA A 119 -10.771 0.403 8.529 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.651 -1.842 6.962 1.00 0.00 C ATOM 0 H ALA A 119 -11.871 -1.201 4.716 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.723 0.295 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.866 -1.930 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.578 -1.934 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.964 -2.634 6.664 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.674 -0.952 7.106 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.408 -0.862 7.824 1.00 0.00 C ATOM 1846 C GLN A 120 -7.907 0.578 7.865 1.00 0.00 C ATOM 1847 O GLN A 120 -7.415 1.045 8.893 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.360 -1.761 7.165 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.655 -3.245 7.308 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.743 -3.686 8.756 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.758 -4.138 9.340 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.927 -3.557 9.343 1.00 0.00 N ATOM 0 H GLN A 120 -9.647 -1.543 6.275 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.574 -1.199 8.847 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.295 -1.512 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.385 -1.549 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.594 -3.475 6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.875 -3.817 6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.717 -3.177 8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -9.047 -3.838 10.316 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.035 1.276 6.742 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.595 2.664 6.650 1.00 0.00 C ATOM 1863 C LEU A 121 -8.424 3.560 7.565 1.00 0.00 C ATOM 1864 O LEU A 121 -7.887 4.234 8.444 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.696 3.156 5.205 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.456 2.948 4.336 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.850 2.763 2.879 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.496 4.119 4.486 1.00 0.00 C ATOM 0 H LEU A 121 -8.440 0.904 5.883 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.555 2.712 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.537 2.652 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.930 4.221 5.220 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.949 2.043 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.954 2.616 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.498 1.891 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.381 3.649 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.619 3.953 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.993 5.039 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.187 4.205 5.528 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.735 3.561 7.353 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.640 4.371 8.159 1.00 0.00 C ATOM 1882 C LYS A 122 -10.427 4.107 9.647 1.00 0.00 C ATOM 1883 O LYS A 122 -10.454 5.030 10.461 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.094 4.079 7.781 1.00 0.00 C ATOM 1885 CG LYS A 122 -13.023 5.265 7.973 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.466 4.897 7.672 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.271 6.112 7.236 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.509 5.723 6.505 1.00 0.00 N ATOM 0 H LYS A 122 -10.195 3.009 6.629 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.424 5.420 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.133 3.763 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.456 3.244 8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.945 5.627 8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.711 6.082 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.494 4.140 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.922 4.455 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.537 6.705 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.656 6.745 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -17.030 6.578 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.254 5.179 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.108 5.140 7.123 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.215 2.842 9.994 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.995 2.457 11.383 1.00 0.00 C ATOM 1904 C HIS A 123 -8.633 2.940 11.872 1.00 0.00 C ATOM 1905 O HIS A 123 -8.543 3.725 12.817 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.096 0.939 11.536 1.00 0.00 C ATOM 1907 CG HIS A 123 -10.411 0.497 12.932 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -11.292 -0.525 13.217 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -9.956 0.944 14.126 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -11.367 -0.686 14.526 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -10.565 0.192 15.101 1.00 0.00 N ATOM 0 H HIS A 123 -10.191 2.066 9.332 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.767 2.928 11.991 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.867 0.565 10.863 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.154 0.487 11.225 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -9.246 1.743 14.283 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -11.980 -1.412 15.039 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -10.421 0.295 16.106 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.574 2.465 11.223 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.216 2.849 11.592 1.00 0.00 C ATOM 1922 C HIS A 124 -6.168 4.304 12.049 1.00 0.00 C ATOM 1923 O HIS A 124 -5.756 4.599 13.171 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.267 2.641 10.412 1.00 0.00 C ATOM 1925 CG HIS A 124 -3.822 2.599 10.806 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -2.971 3.675 10.663 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -3.079 1.603 11.343 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -1.767 3.341 11.093 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -1.806 2.089 11.511 1.00 0.00 N ATOM 0 H HIS A 124 -7.630 1.814 10.440 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.898 2.216 12.420 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.525 1.709 9.909 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.415 3.445 9.691 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.424 0.610 11.593 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -0.899 3.983 11.101 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -1.018 1.568 11.896 1.00 0.00 H new