USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 481 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 Single : A 5 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.61) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.08! K(o=-2.1!,f=-2.6) USER MOD Single : A 29 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-8.2!) USER MOD Single : A 32 SER OG : rot -120:sc= 0.669 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.28! K(o=-4.3!,f=-0.052) USER MOD Single : A 38 GLN : amide:sc= -6.13! K(o=-6.1!,f=-2) USER MOD Single : A 50 GLN : amide:sc= -2.2 K(o=-2.2,f=-0.46) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 3 10.665 5.557 -3.330 1.00 0.00 N ATOM 30 CA ALA A 3 10.643 4.140 -3.038 1.00 0.00 C ATOM 31 C ALA A 3 11.068 3.903 -1.608 1.00 0.00 C ATOM 32 O ALA A 3 12.186 3.475 -1.329 1.00 0.00 O ATOM 33 CB ALA A 3 11.536 3.389 -3.994 1.00 0.00 C ATOM 0 HA ALA A 3 9.626 3.769 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.507 2.325 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.188 3.545 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.559 3.754 -3.899 1.00 0.00 H new ATOM 39 N VAL A 4 10.166 4.209 -0.709 1.00 0.00 N ATOM 40 CA VAL A 4 10.429 4.084 0.710 1.00 0.00 C ATOM 41 C VAL A 4 9.680 2.900 1.272 1.00 0.00 C ATOM 42 O VAL A 4 8.474 2.763 1.058 1.00 0.00 O ATOM 43 CB VAL A 4 10.013 5.348 1.489 1.00 0.00 C ATOM 44 CG1 VAL A 4 10.419 5.243 2.952 1.00 0.00 C ATOM 45 CG2 VAL A 4 10.604 6.590 0.852 1.00 0.00 C ATOM 0 H VAL A 4 9.232 4.551 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 4 11.504 3.946 0.826 1.00 0.00 H new ATOM 0 HB VAL A 4 8.927 5.429 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.115 6.147 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.933 4.378 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.501 5.129 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.298 7.470 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.692 6.518 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.248 6.677 -0.175 1.00 0.00 H new ATOM 55 N GLN A 5 10.395 2.036 1.964 1.00 0.00 N ATOM 56 CA GLN A 5 9.779 0.921 2.634 1.00 0.00 C ATOM 57 C GLN A 5 8.843 1.465 3.699 1.00 0.00 C ATOM 58 O GLN A 5 9.277 2.000 4.718 1.00 0.00 O ATOM 59 CB GLN A 5 10.874 0.030 3.244 1.00 0.00 C ATOM 60 CG GLN A 5 10.430 -1.385 3.567 1.00 0.00 C ATOM 61 CD GLN A 5 9.522 -1.465 4.772 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.978 -1.596 5.907 1.00 0.00 O ATOM 63 NE2 GLN A 5 8.225 -1.405 4.527 1.00 0.00 N ATOM 0 H GLN A 5 11.408 2.090 2.074 1.00 0.00 H new ATOM 0 HA GLN A 5 9.203 0.312 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.714 -0.016 2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.239 0.500 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.913 -1.803 2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.310 -2.004 3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.891 -1.296 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.557 -1.468 5.296 1.00 0.00 H new ATOM 72 N VAL A 6 7.558 1.336 3.438 1.00 0.00 N ATOM 73 CA VAL A 6 6.551 1.825 4.352 1.00 0.00 C ATOM 74 C VAL A 6 5.330 0.941 4.300 1.00 0.00 C ATOM 75 O VAL A 6 4.598 0.801 5.275 1.00 0.00 O ATOM 76 CB VAL A 6 6.150 3.288 4.029 1.00 0.00 C ATOM 77 CG1 VAL A 6 5.171 3.354 2.872 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.569 3.949 5.266 1.00 0.00 C ATOM 0 H VAL A 6 7.187 0.895 2.596 1.00 0.00 H new ATOM 0 HA VAL A 6 6.977 1.803 5.355 1.00 0.00 H new ATOM 0 HB VAL A 6 7.046 3.829 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.912 4.394 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.628 2.918 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.269 2.798 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.289 4.976 5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.687 3.398 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.313 3.948 6.063 1.00 0.00 H new ATOM 88 N LEU A 7 5.144 0.310 3.169 1.00 0.00 N ATOM 89 CA LEU A 7 3.978 -0.477 2.934 1.00 0.00 C ATOM 90 C LEU A 7 4.418 -1.914 2.751 1.00 0.00 C ATOM 91 O LEU A 7 5.550 -2.155 2.365 1.00 0.00 O ATOM 92 CB LEU A 7 3.271 0.074 1.690 1.00 0.00 C ATOM 93 CG LEU A 7 1.740 -0.079 1.682 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.124 0.543 0.453 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.296 -1.523 1.783 1.00 0.00 C ATOM 0 H LEU A 7 5.802 0.332 2.390 1.00 0.00 H new ATOM 0 HA LEU A 7 3.276 -0.436 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.514 1.132 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.674 -0.428 0.811 1.00 0.00 H new ATOM 0 HG LEU A 7 1.389 0.449 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.042 0.415 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.363 1.606 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.522 0.058 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.207 -1.570 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.692 -2.085 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.669 -1.954 2.712 1.00 0.00 H new ATOM 107 N LYS A 8 3.572 -2.859 3.103 1.00 0.00 N ATOM 108 CA LYS A 8 3.872 -4.245 2.889 1.00 0.00 C ATOM 109 C LYS A 8 2.588 -5.043 2.748 1.00 0.00 C ATOM 110 O LYS A 8 1.546 -4.673 3.299 1.00 0.00 O ATOM 111 CB LYS A 8 4.720 -4.780 4.041 1.00 0.00 C ATOM 112 CG LYS A 8 4.024 -4.759 5.385 1.00 0.00 C ATOM 113 CD LYS A 8 4.843 -4.021 6.432 1.00 0.00 C ATOM 114 CE LYS A 8 4.549 -2.516 6.435 1.00 0.00 C ATOM 115 NZ LYS A 8 5.095 -1.849 7.645 1.00 0.00 N ATOM 0 H LYS A 8 2.668 -2.683 3.541 1.00 0.00 H new ATOM 0 HA LYS A 8 4.441 -4.348 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.017 -5.804 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.634 -4.191 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.050 -4.282 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.845 -5.781 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.629 -4.434 7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.904 -4.183 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.979 -2.060 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.472 -2.356 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.876 -0.833 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.666 -2.267 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.126 -1.980 7.678 1.00 0.00 H new ATOM 129 N PHE A 9 2.670 -6.121 1.999 1.00 0.00 N ATOM 130 CA PHE A 9 1.555 -7.031 1.816 1.00 0.00 C ATOM 131 C PHE A 9 1.961 -8.400 2.340 1.00 0.00 C ATOM 132 O PHE A 9 2.539 -9.209 1.619 1.00 0.00 O ATOM 133 CB PHE A 9 1.112 -7.115 0.341 1.00 0.00 C ATOM 134 CG PHE A 9 2.016 -6.401 -0.605 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.322 -6.780 -0.700 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.555 -5.373 -1.405 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.183 -6.152 -1.558 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.409 -4.731 -2.276 1.00 0.00 C ATOM 139 CZ PHE A 9 3.728 -5.126 -2.357 1.00 0.00 C ATOM 0 H PHE A 9 3.515 -6.394 1.497 1.00 0.00 H new ATOM 0 HA PHE A 9 0.697 -6.656 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.053 -8.164 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.108 -6.701 0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.684 -7.592 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.520 -5.071 -1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.217 -6.460 -1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.047 -3.922 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.401 -4.633 -3.043 1.00 0.00 H new ATOM 149 N PRO A 10 1.726 -8.601 3.641 1.00 0.00 N ATOM 150 CA PRO A 10 1.966 -9.835 4.387 1.00 0.00 C ATOM 151 C PRO A 10 1.944 -11.115 3.562 1.00 0.00 C ATOM 152 O PRO A 10 0.882 -11.699 3.364 1.00 0.00 O ATOM 153 CB PRO A 10 0.767 -9.835 5.309 1.00 0.00 C ATOM 154 CG PRO A 10 0.464 -8.391 5.575 1.00 0.00 C ATOM 155 CD PRO A 10 1.191 -7.582 4.541 1.00 0.00 C ATOM 0 HA PRO A 10 2.958 -9.839 4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.084 -10.335 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.984 -10.367 6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.609 -8.208 5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.785 -8.110 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.522 -6.896 4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.984 -6.979 4.984 1.00 0.00 H new ATOM 163 N LEU A 11 3.125 -11.604 3.186 1.00 0.00 N ATOM 164 CA LEU A 11 3.242 -12.772 2.298 1.00 0.00 C ATOM 165 C LEU A 11 2.757 -14.037 3.000 1.00 0.00 C ATOM 166 O LEU A 11 2.582 -15.089 2.389 1.00 0.00 O ATOM 167 CB LEU A 11 4.702 -12.955 1.853 1.00 0.00 C ATOM 168 CG LEU A 11 5.595 -13.814 2.764 1.00 0.00 C ATOM 169 CD1 LEU A 11 7.010 -13.868 2.216 1.00 0.00 C ATOM 170 CD2 LEU A 11 5.607 -13.286 4.192 1.00 0.00 C ATOM 0 H LEU A 11 4.019 -11.212 3.481 1.00 0.00 H new ATOM 0 HA LEU A 11 2.617 -12.597 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.702 -13.400 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.157 -11.969 1.761 1.00 0.00 H new ATOM 0 HG LEU A 11 5.179 -14.821 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.631 -14.479 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.997 -14.304 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.420 -12.859 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.248 -13.917 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.988 -12.265 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.593 -13.298 4.593 1.00 0.00 H new ATOM 182 N SER A 12 2.535 -13.899 4.291 1.00 0.00 N ATOM 183 CA SER A 12 2.215 -15.013 5.149 1.00 0.00 C ATOM 184 C SER A 12 0.716 -15.096 5.388 1.00 0.00 C ATOM 185 O SER A 12 0.203 -16.113 5.857 1.00 0.00 O ATOM 186 CB SER A 12 2.953 -14.825 6.475 1.00 0.00 C ATOM 187 OG SER A 12 2.617 -15.832 7.412 1.00 0.00 O ATOM 0 H SER A 12 2.573 -13.002 4.775 1.00 0.00 H new ATOM 0 HA SER A 12 2.526 -15.943 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.028 -14.838 6.297 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.711 -13.847 6.890 1.00 0.00 H new ATOM 0 HG SER A 12 3.109 -15.680 8.246 1.00 0.00 H new ATOM 193 N VAL A 13 0.001 -14.042 5.030 1.00 0.00 N ATOM 194 CA VAL A 13 -1.397 -13.950 5.386 1.00 0.00 C ATOM 195 C VAL A 13 -2.234 -13.837 4.135 1.00 0.00 C ATOM 196 O VAL A 13 -1.729 -13.958 3.016 1.00 0.00 O ATOM 197 CB VAL A 13 -1.677 -12.746 6.333 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.541 -12.555 7.319 1.00 0.00 C ATOM 199 CG2 VAL A 13 -1.944 -11.458 5.562 1.00 0.00 C ATOM 0 H VAL A 13 0.364 -13.250 4.500 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.666 -14.858 5.926 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.583 -12.983 6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.762 -11.708 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.428 -13.455 7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.384 -12.364 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.134 -10.646 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.075 -11.213 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.814 -11.592 4.919 1.00 0.00 H new ATOM 209 N ASP A 14 -3.502 -13.597 4.336 1.00 0.00 N ATOM 210 CA ASP A 14 -4.437 -13.435 3.244 1.00 0.00 C ATOM 211 C ASP A 14 -4.357 -12.003 2.728 1.00 0.00 C ATOM 212 O ASP A 14 -5.323 -11.234 2.782 1.00 0.00 O ATOM 213 CB ASP A 14 -5.841 -13.786 3.721 1.00 0.00 C ATOM 214 CG ASP A 14 -6.826 -13.951 2.584 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.491 -14.641 1.597 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.950 -13.417 2.681 1.00 0.00 O ATOM 0 H ASP A 14 -3.921 -13.507 5.262 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.186 -14.107 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.803 -14.710 4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.197 -13.005 4.393 1.00 0.00 H new ATOM 221 N LEU A 15 -3.168 -11.659 2.237 1.00 0.00 N ATOM 222 CA LEU A 15 -2.854 -10.326 1.761 1.00 0.00 C ATOM 223 C LEU A 15 -3.685 -9.912 0.570 1.00 0.00 C ATOM 224 O LEU A 15 -3.610 -8.778 0.157 1.00 0.00 O ATOM 225 CB LEU A 15 -1.382 -10.260 1.391 1.00 0.00 C ATOM 226 CG LEU A 15 -0.825 -11.528 0.746 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.478 -11.823 -0.593 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.653 -11.404 0.555 1.00 0.00 C ATOM 0 H LEU A 15 -2.389 -12.313 2.160 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.086 -9.634 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.231 -9.425 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.805 -10.043 2.290 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.048 -12.354 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.050 -12.733 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.551 -11.957 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.302 -10.991 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.038 -12.314 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.866 -10.552 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.134 -11.255 1.522 1.00 0.00 H new ATOM 240 N ALA A 16 -4.469 -10.816 0.008 1.00 0.00 N ATOM 241 CA ALA A 16 -5.320 -10.472 -1.125 1.00 0.00 C ATOM 242 C ALA A 16 -6.219 -9.294 -0.776 1.00 0.00 C ATOM 243 O ALA A 16 -6.711 -8.590 -1.657 1.00 0.00 O ATOM 244 CB ALA A 16 -6.141 -11.676 -1.540 1.00 0.00 C ATOM 0 H ALA A 16 -4.536 -11.787 0.312 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.691 -10.178 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.774 -11.410 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.475 -12.490 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.766 -11.995 -0.706 1.00 0.00 H new ATOM 250 N GLY A 17 -6.404 -9.066 0.517 1.00 0.00 N ATOM 251 CA GLY A 17 -7.122 -7.899 0.957 1.00 0.00 C ATOM 252 C GLY A 17 -6.319 -6.626 0.757 1.00 0.00 C ATOM 253 O GLY A 17 -6.834 -5.645 0.230 1.00 0.00 O ATOM 0 H GLY A 17 -6.067 -9.672 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.062 -7.824 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.375 -8.006 2.012 1.00 0.00 H new ATOM 257 N PHE A 18 -5.052 -6.636 1.159 1.00 0.00 N ATOM 258 CA PHE A 18 -4.234 -5.432 1.075 1.00 0.00 C ATOM 259 C PHE A 18 -3.468 -5.359 -0.235 1.00 0.00 C ATOM 260 O PHE A 18 -3.476 -4.328 -0.903 1.00 0.00 O ATOM 261 CB PHE A 18 -3.245 -5.331 2.228 1.00 0.00 C ATOM 262 CG PHE A 18 -2.898 -3.901 2.544 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.206 -2.888 1.643 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.300 -3.561 3.745 1.00 0.00 C ATOM 265 CE1 PHE A 18 -2.916 -1.575 1.930 1.00 0.00 C ATOM 266 CE2 PHE A 18 -2.003 -2.241 4.036 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.316 -1.248 3.125 1.00 0.00 C ATOM 0 H PHE A 18 -4.575 -7.453 1.541 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.931 -4.596 1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.669 -5.806 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.337 -5.878 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.680 -3.136 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.063 -4.333 4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.159 -0.800 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.528 -1.987 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.090 -0.217 3.351 1.00 0.00 H new ATOM 277 N VAL A 19 -2.800 -6.438 -0.606 1.00 0.00 N ATOM 278 CA VAL A 19 -2.058 -6.465 -1.850 1.00 0.00 C ATOM 279 C VAL A 19 -3.036 -6.208 -2.975 1.00 0.00 C ATOM 280 O VAL A 19 -2.711 -5.583 -3.973 1.00 0.00 O ATOM 281 CB VAL A 19 -1.343 -7.824 -2.095 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.282 -8.886 -2.658 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.147 -7.651 -3.021 1.00 0.00 C ATOM 0 H VAL A 19 -2.757 -7.302 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.281 -5.703 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.998 -8.170 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.732 -9.815 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.098 -9.059 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.688 -8.545 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.336 -8.616 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.483 -7.255 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.564 -6.958 -2.571 1.00 0.00 H new ATOM 293 N GLY A 20 -4.256 -6.690 -2.754 1.00 0.00 N ATOM 294 CA GLY A 20 -5.349 -6.459 -3.668 1.00 0.00 C ATOM 295 C GLY A 20 -5.806 -5.036 -3.591 1.00 0.00 C ATOM 296 O GLY A 20 -6.038 -4.419 -4.608 1.00 0.00 O ATOM 0 H GLY A 20 -4.505 -7.248 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.035 -6.692 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.177 -7.126 -3.430 1.00 0.00 H new ATOM 300 N LEU A 21 -5.829 -4.498 -2.382 1.00 0.00 N ATOM 301 CA LEU A 21 -6.311 -3.142 -2.136 1.00 0.00 C ATOM 302 C LEU A 21 -5.582 -2.138 -3.018 1.00 0.00 C ATOM 303 O LEU A 21 -6.182 -1.261 -3.630 1.00 0.00 O ATOM 304 CB LEU A 21 -6.107 -2.789 -0.661 1.00 0.00 C ATOM 305 CG LEU A 21 -6.608 -1.409 -0.229 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.002 -1.431 1.237 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.538 -0.348 -0.455 1.00 0.00 C ATOM 0 H LEU A 21 -5.515 -4.985 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.373 -3.099 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.609 -3.543 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.043 -2.855 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.480 -1.160 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.357 -0.444 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.795 -2.163 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.137 -1.702 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.917 0.624 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.650 -0.597 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.280 -0.312 -1.513 1.00 0.00 H new ATOM 319 N LEU A 22 -4.281 -2.291 -3.088 1.00 0.00 N ATOM 320 CA LEU A 22 -3.437 -1.348 -3.798 1.00 0.00 C ATOM 321 C LEU A 22 -3.209 -1.798 -5.225 1.00 0.00 C ATOM 322 O LEU A 22 -2.901 -0.999 -6.119 1.00 0.00 O ATOM 323 CB LEU A 22 -2.130 -1.192 -3.064 1.00 0.00 C ATOM 324 CG LEU A 22 -1.654 -2.438 -2.322 1.00 0.00 C ATOM 325 CD1 LEU A 22 -0.731 -3.257 -3.197 1.00 0.00 C ATOM 326 CD2 LEU A 22 -0.985 -2.066 -1.016 1.00 0.00 C ATOM 0 H LEU A 22 -3.776 -3.066 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.937 -0.380 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.362 -0.898 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.228 -0.376 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.524 -3.050 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.402 -4.141 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.261 -3.564 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.136 -2.657 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.655 -2.971 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.124 -1.428 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.694 -1.531 -0.384 1.00 0.00 H new ATOM 338 N ARG A 23 -3.326 -3.094 -5.412 1.00 0.00 N ATOM 339 CA ARG A 23 -3.390 -3.684 -6.737 1.00 0.00 C ATOM 340 C ARG A 23 -4.553 -3.064 -7.492 1.00 0.00 C ATOM 341 O ARG A 23 -4.499 -2.827 -8.696 1.00 0.00 O ATOM 342 CB ARG A 23 -3.649 -5.166 -6.586 1.00 0.00 C ATOM 343 CG ARG A 23 -3.327 -5.989 -7.814 1.00 0.00 C ATOM 344 CD ARG A 23 -4.252 -7.181 -7.898 1.00 0.00 C ATOM 345 NE ARG A 23 -3.829 -8.274 -7.015 1.00 0.00 N ATOM 346 CZ ARG A 23 -4.432 -9.464 -6.951 1.00 0.00 C ATOM 347 NH1 ARG A 23 -5.535 -9.703 -7.653 1.00 0.00 N ATOM 348 NH2 ARG A 23 -3.929 -10.423 -6.177 1.00 0.00 N ATOM 0 H ARG A 23 -3.380 -3.772 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.458 -3.511 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.061 -5.541 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.698 -5.314 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.429 -5.376 -8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.291 -6.325 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.264 -6.873 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.287 -7.540 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.022 -8.115 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.929 -8.974 -8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.988 -10.615 -7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.084 -10.249 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.389 -11.332 -6.127 1.00 0.00 H new ATOM 362 N ARG A 24 -5.588 -2.793 -6.722 1.00 0.00 N ATOM 363 CA ARG A 24 -6.828 -2.211 -7.202 1.00 0.00 C ATOM 364 C ARG A 24 -6.624 -0.751 -7.535 1.00 0.00 C ATOM 365 O ARG A 24 -7.279 -0.182 -8.412 1.00 0.00 O ATOM 366 CB ARG A 24 -7.844 -2.303 -6.088 1.00 0.00 C ATOM 367 CG ARG A 24 -8.391 -3.695 -5.831 1.00 0.00 C ATOM 368 CD ARG A 24 -9.191 -3.679 -4.552 1.00 0.00 C ATOM 369 NE ARG A 24 -10.005 -4.876 -4.366 1.00 0.00 N ATOM 370 CZ ARG A 24 -11.320 -4.848 -4.162 1.00 0.00 C ATOM 371 NH1 ARG A 24 -11.978 -3.694 -4.207 1.00 0.00 N ATOM 372 NH2 ARG A 24 -11.979 -5.976 -3.926 1.00 0.00 N ATOM 0 H ARG A 24 -5.591 -2.976 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.161 -2.741 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.388 -1.933 -5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.677 -1.639 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.018 -4.013 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.574 -4.413 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.510 -3.576 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.839 -2.803 -4.548 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.541 -5.784 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.475 -2.827 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.986 -3.675 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.478 -6.864 -3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.987 -5.955 -3.770 1.00 0.00 H new ATOM 386 N LEU A 25 -5.671 -0.177 -6.829 1.00 0.00 N ATOM 387 CA LEU A 25 -5.443 1.252 -6.832 1.00 0.00 C ATOM 388 C LEU A 25 -4.844 1.674 -8.175 1.00 0.00 C ATOM 389 O LEU A 25 -5.304 2.647 -8.774 1.00 0.00 O ATOM 390 CB LEU A 25 -4.562 1.593 -5.609 1.00 0.00 C ATOM 391 CG LEU A 25 -4.101 3.039 -5.433 1.00 0.00 C ATOM 392 CD1 LEU A 25 -2.799 3.256 -6.174 1.00 0.00 C ATOM 393 CD2 LEU A 25 -5.171 4.026 -5.885 1.00 0.00 C ATOM 0 H LEU A 25 -5.027 -0.695 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.370 1.818 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.112 1.307 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.674 0.963 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.932 3.222 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.475 4.289 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.038 2.584 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.945 3.051 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.809 5.045 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.395 3.862 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.075 3.878 -5.294 1.00 0.00 H new ATOM 405 N ASN A 26 -3.846 0.900 -8.632 1.00 0.00 N ATOM 406 CA ASN A 26 -3.236 1.012 -9.975 1.00 0.00 C ATOM 407 C ASN A 26 -1.787 0.537 -9.959 1.00 0.00 C ATOM 408 O ASN A 26 -1.045 0.781 -10.909 1.00 0.00 O ATOM 409 CB ASN A 26 -3.285 2.427 -10.585 1.00 0.00 C ATOM 410 CG ASN A 26 -2.433 3.466 -9.867 1.00 0.00 C ATOM 411 OD1 ASN A 26 -1.227 3.557 -10.077 1.00 0.00 O ATOM 412 ND2 ASN A 26 -3.070 4.294 -9.059 1.00 0.00 N ATOM 0 H ASN A 26 -3.428 0.160 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.849 0.370 -10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.962 2.370 -11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.320 2.769 -10.591 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.559 5.039 -8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.073 4.188 -8.908 1.00 0.00 H new ATOM 419 N VAL A 27 -1.421 -0.183 -8.891 1.00 0.00 N ATOM 420 CA VAL A 27 -0.080 -0.773 -8.713 1.00 0.00 C ATOM 421 C VAL A 27 1.051 0.046 -9.371 1.00 0.00 C ATOM 422 O VAL A 27 1.672 -0.363 -10.352 1.00 0.00 O ATOM 423 CB VAL A 27 -0.050 -2.265 -9.172 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.501 -2.427 -10.617 1.00 0.00 C ATOM 425 CG2 VAL A 27 1.326 -2.885 -8.971 1.00 0.00 C ATOM 0 H VAL A 27 -2.053 -0.377 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 27 0.120 -0.741 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.760 -2.799 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.464 -3.481 -10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.522 -2.059 -10.723 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.160 -1.857 -11.270 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.309 -3.924 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.063 -2.331 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.593 -2.845 -7.915 1.00 0.00 H new ATOM 435 N PRO A 28 1.314 1.231 -8.807 1.00 0.00 N ATOM 436 CA PRO A 28 2.400 2.120 -9.239 1.00 0.00 C ATOM 437 C PRO A 28 3.660 1.955 -8.396 1.00 0.00 C ATOM 438 O PRO A 28 4.522 2.830 -8.371 1.00 0.00 O ATOM 439 CB PRO A 28 1.782 3.479 -8.953 1.00 0.00 C ATOM 440 CG PRO A 28 1.059 3.256 -7.664 1.00 0.00 C ATOM 441 CD PRO A 28 0.522 1.851 -7.726 1.00 0.00 C ATOM 0 HA PRO A 28 2.717 1.941 -10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.541 4.256 -8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.104 3.789 -9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.730 3.380 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.251 3.977 -7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.655 1.328 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.545 1.838 -7.951 1.00 0.00 H new ATOM 449 N HIS A 29 3.773 0.823 -7.725 1.00 0.00 N ATOM 450 CA HIS A 29 4.704 0.701 -6.609 1.00 0.00 C ATOM 451 C HIS A 29 5.748 -0.385 -6.813 1.00 0.00 C ATOM 452 O HIS A 29 5.684 -1.168 -7.759 1.00 0.00 O ATOM 453 CB HIS A 29 3.928 0.396 -5.334 1.00 0.00 C ATOM 454 CG HIS A 29 3.006 -0.775 -5.468 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.634 -0.655 -5.475 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.268 -2.095 -5.609 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.096 -1.851 -5.614 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.066 -2.738 -5.697 1.00 0.00 N ATOM 0 H HIS A 29 3.238 -0.021 -7.928 1.00 0.00 H new ATOM 0 HA HIS A 29 5.232 1.652 -6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.633 0.204 -4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.349 1.275 -5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.245 -2.554 -5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.038 -2.067 -5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.940 -3.744 -5.809 1.00 0.00 H new ATOM 467 N ARG A 30 6.685 -0.421 -5.879 1.00 0.00 N ATOM 468 CA ARG A 30 7.715 -1.450 -5.822 1.00 0.00 C ATOM 469 C ARG A 30 7.317 -2.566 -4.856 1.00 0.00 C ATOM 470 O ARG A 30 6.784 -2.298 -3.783 1.00 0.00 O ATOM 471 CB ARG A 30 9.029 -0.809 -5.375 1.00 0.00 C ATOM 472 CG ARG A 30 10.079 -1.801 -4.896 1.00 0.00 C ATOM 473 CD ARG A 30 11.276 -1.087 -4.295 1.00 0.00 C ATOM 474 NE ARG A 30 12.261 -2.014 -3.737 1.00 0.00 N ATOM 475 CZ ARG A 30 13.577 -1.789 -3.749 1.00 0.00 C ATOM 476 NH1 ARG A 30 14.068 -0.754 -4.420 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.402 -2.618 -3.119 1.00 0.00 N ATOM 0 H ARG A 30 6.754 0.269 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 30 7.835 -1.892 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.440 -0.235 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.820 -0.103 -4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.641 -2.469 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.404 -2.422 -5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.752 -0.475 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.935 -0.410 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 30 11.924 -2.880 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.440 -0.130 -4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.073 -0.583 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.031 -3.429 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.407 -2.444 -3.130 1.00 0.00 H new ATOM 491 N VAL A 31 7.554 -3.805 -5.265 1.00 0.00 N ATOM 492 CA VAL A 31 7.326 -4.974 -4.427 1.00 0.00 C ATOM 493 C VAL A 31 8.640 -5.702 -4.134 1.00 0.00 C ATOM 494 O VAL A 31 9.383 -6.067 -5.047 1.00 0.00 O ATOM 495 CB VAL A 31 6.350 -5.966 -5.094 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.174 -7.217 -4.236 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.011 -5.297 -5.361 1.00 0.00 C ATOM 0 H VAL A 31 7.912 -4.028 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 31 6.889 -4.614 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 31 6.774 -6.274 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.482 -7.901 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.138 -7.708 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.776 -6.936 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.335 -6.011 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.581 -4.956 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.156 -4.444 -6.024 1.00 0.00 H new ATOM 507 N SER A 32 8.908 -5.894 -2.859 1.00 0.00 N ATOM 508 CA SER A 32 10.080 -6.623 -2.394 1.00 0.00 C ATOM 509 C SER A 32 9.660 -7.587 -1.284 1.00 0.00 C ATOM 510 O SER A 32 8.474 -7.849 -1.119 1.00 0.00 O ATOM 511 CB SER A 32 11.127 -5.632 -1.875 1.00 0.00 C ATOM 512 OG SER A 32 11.504 -4.704 -2.884 1.00 0.00 O ATOM 0 H SER A 32 8.315 -5.547 -2.105 1.00 0.00 H new ATOM 0 HA SER A 32 10.516 -7.192 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.728 -5.095 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.007 -6.176 -1.531 1.00 0.00 H new ATOM 0 HG SER A 32 12.466 -4.780 -3.055 1.00 0.00 H new ATOM 518 N GLU A 33 10.623 -8.137 -0.552 1.00 0.00 N ATOM 519 CA GLU A 33 10.330 -8.952 0.628 1.00 0.00 C ATOM 520 C GLU A 33 11.232 -8.500 1.762 1.00 0.00 C ATOM 521 O GLU A 33 12.390 -8.913 1.856 1.00 0.00 O ATOM 522 CB GLU A 33 10.546 -10.452 0.370 1.00 0.00 C ATOM 523 CG GLU A 33 9.832 -11.005 -0.857 1.00 0.00 C ATOM 524 CD GLU A 33 10.646 -10.850 -2.126 1.00 0.00 C ATOM 525 OE1 GLU A 33 11.627 -11.603 -2.301 1.00 0.00 O ATOM 526 OE2 GLU A 33 10.313 -9.981 -2.956 1.00 0.00 O ATOM 0 H GLU A 33 11.618 -8.034 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 33 9.279 -8.816 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.615 -10.636 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.213 -11.008 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.611 -12.060 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.877 -10.494 -0.978 1.00 0.00 H new ATOM 533 N GLU A 34 10.693 -7.655 2.623 1.00 0.00 N ATOM 534 CA GLU A 34 11.479 -7.049 3.685 1.00 0.00 C ATOM 535 C GLU A 34 10.936 -7.464 5.041 1.00 0.00 C ATOM 536 O GLU A 34 9.726 -7.414 5.273 1.00 0.00 O ATOM 537 CB GLU A 34 11.452 -5.527 3.563 1.00 0.00 C ATOM 538 CG GLU A 34 11.865 -5.015 2.194 1.00 0.00 C ATOM 539 CD GLU A 34 13.298 -5.355 1.836 1.00 0.00 C ATOM 540 OE1 GLU A 34 14.222 -4.818 2.482 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.508 -6.156 0.900 1.00 0.00 O ATOM 0 H GLU A 34 9.713 -7.372 2.608 1.00 0.00 H new ATOM 0 HA GLU A 34 12.509 -7.394 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.446 -5.172 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.114 -5.100 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.200 -5.436 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.737 -3.933 2.164 1.00 0.00 H new ATOM 548 N SER A 35 11.840 -7.915 5.910 1.00 0.00 N ATOM 549 CA SER A 35 11.495 -8.348 7.265 1.00 0.00 C ATOM 550 C SER A 35 10.654 -9.625 7.237 1.00 0.00 C ATOM 551 O SER A 35 10.277 -10.157 8.279 1.00 0.00 O ATOM 552 CB SER A 35 10.762 -7.233 8.019 1.00 0.00 C ATOM 553 OG SER A 35 11.546 -6.048 8.054 1.00 0.00 O ATOM 0 H SER A 35 12.834 -7.991 5.695 1.00 0.00 H new ATOM 0 HA SER A 35 12.422 -8.568 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.807 -7.028 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.542 -7.559 9.036 1.00 0.00 H new ATOM 0 HG SER A 35 11.060 -5.348 8.538 1.00 0.00 H new ATOM 559 N GLY A 36 10.365 -10.105 6.036 1.00 0.00 N ATOM 560 CA GLY A 36 9.627 -11.330 5.875 1.00 0.00 C ATOM 561 C GLY A 36 8.502 -11.160 4.920 1.00 0.00 C ATOM 562 O GLY A 36 8.246 -12.033 4.108 1.00 0.00 O ATOM 0 H GLY A 36 10.636 -9.656 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.294 -12.115 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.241 -11.654 6.841 1.00 0.00 H new ATOM 566 N GLN A 37 7.874 -10.001 4.960 1.00 0.00 N ATOM 567 CA GLN A 37 6.658 -9.811 4.237 1.00 0.00 C ATOM 568 C GLN A 37 7.011 -9.138 2.963 1.00 0.00 C ATOM 569 O GLN A 37 8.049 -8.490 2.856 1.00 0.00 O ATOM 570 CB GLN A 37 5.620 -8.967 5.011 1.00 0.00 C ATOM 571 CG GLN A 37 5.907 -8.777 6.495 1.00 0.00 C ATOM 572 CD GLN A 37 4.792 -8.041 7.209 1.00 0.00 C ATOM 573 OE1 GLN A 37 5.025 -7.319 8.178 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.574 -8.228 6.737 1.00 0.00 N ATOM 0 H GLN A 37 8.194 -9.188 5.486 1.00 0.00 H new ATOM 0 HA GLN A 37 6.190 -10.781 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.554 -7.985 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.643 -9.438 4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.053 -9.751 6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.839 -8.224 6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.427 -8.836 5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.779 -7.765 7.178 1.00 0.00 H new ATOM 583 N GLN A 38 6.184 -9.327 1.987 1.00 0.00 N ATOM 584 CA GLN A 38 6.352 -8.631 0.757 1.00 0.00 C ATOM 585 C GLN A 38 6.100 -7.186 1.032 1.00 0.00 C ATOM 586 O GLN A 38 5.211 -6.851 1.799 1.00 0.00 O ATOM 587 CB GLN A 38 5.372 -9.143 -0.274 1.00 0.00 C ATOM 588 CG GLN A 38 5.461 -10.631 -0.542 1.00 0.00 C ATOM 589 CD GLN A 38 4.173 -11.149 -1.137 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.171 -12.037 -1.987 1.00 0.00 O ATOM 591 NE2 GLN A 38 3.059 -10.631 -0.631 1.00 0.00 N ATOM 0 H GLN A 38 5.384 -9.959 2.019 1.00 0.00 H new ATOM 0 HA GLN A 38 7.357 -8.782 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.360 -8.906 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.536 -8.608 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.288 -10.833 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.676 -11.160 0.387 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.113 -9.895 0.073 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.150 -10.969 -0.947 1.00 0.00 H new ATOM 600 N VAL A 39 6.895 -6.339 0.449 1.00 0.00 N ATOM 601 CA VAL A 39 6.917 -4.971 0.851 1.00 0.00 C ATOM 602 C VAL A 39 6.849 -4.033 -0.315 1.00 0.00 C ATOM 603 O VAL A 39 7.499 -4.208 -1.332 1.00 0.00 O ATOM 604 CB VAL A 39 8.140 -4.716 1.726 1.00 0.00 C ATOM 605 CG1 VAL A 39 8.287 -3.266 2.068 1.00 0.00 C ATOM 606 CG2 VAL A 39 7.953 -5.529 2.959 1.00 0.00 C ATOM 0 H VAL A 39 7.537 -6.575 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 39 6.021 -4.770 1.439 1.00 0.00 H new ATOM 0 HB VAL A 39 9.050 -4.996 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.170 -3.127 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.395 -2.685 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.403 -2.928 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.804 -5.383 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.040 -5.217 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.878 -6.583 2.692 1.00 0.00 H new ATOM 616 N LEU A 40 6.040 -3.041 -0.128 1.00 0.00 N ATOM 617 CA LEU A 40 5.702 -2.103 -1.142 1.00 0.00 C ATOM 618 C LEU A 40 6.305 -0.762 -0.796 1.00 0.00 C ATOM 619 O LEU A 40 6.158 -0.257 0.319 1.00 0.00 O ATOM 620 CB LEU A 40 4.191 -2.069 -1.205 1.00 0.00 C ATOM 621 CG LEU A 40 3.537 -1.103 -2.207 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.045 -1.339 -2.249 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.811 0.353 -1.871 1.00 0.00 C ATOM 0 H LEU A 40 5.583 -2.858 0.765 1.00 0.00 H new ATOM 0 HA LEU A 40 6.096 -2.376 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.843 -3.076 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.820 -1.822 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 40 3.978 -1.304 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.588 -0.652 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.848 -2.365 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.622 -1.170 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.328 0.994 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.416 0.578 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.886 0.533 -1.883 1.00 0.00 H new ATOM 635 N TRP A 41 6.993 -0.195 -1.755 1.00 0.00 N ATOM 636 CA TRP A 41 7.679 1.052 -1.538 1.00 0.00 C ATOM 637 C TRP A 41 7.245 2.024 -2.610 1.00 0.00 C ATOM 638 O TRP A 41 7.675 1.888 -3.756 1.00 0.00 O ATOM 639 CB TRP A 41 9.213 0.892 -1.672 1.00 0.00 C ATOM 640 CG TRP A 41 9.798 -0.339 -1.045 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.215 -1.559 -0.965 1.00 0.00 C ATOM 642 CD2 TRP A 41 11.099 -0.487 -0.472 1.00 0.00 C ATOM 643 NE1 TRP A 41 10.023 -2.440 -0.327 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.195 -1.815 -0.017 1.00 0.00 C ATOM 645 CE3 TRP A 41 12.181 0.371 -0.273 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.323 -2.304 0.609 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.312 -0.121 0.350 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.372 -1.448 0.791 1.00 0.00 C ATOM 0 H TRP A 41 7.092 -0.579 -2.695 1.00 0.00 H new ATOM 0 HA TRP A 41 7.438 1.398 -0.533 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.468 0.894 -2.732 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.691 1.765 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.237 -1.798 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.793 -3.411 -0.114 1.00 0.00 H new ATOM 0 HE3 TRP A 41 12.135 1.399 -0.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.375 -3.329 0.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 14.162 0.528 0.499 1.00 0.00 H new ATOM 0 HH2 TRP A 41 14.265 -1.802 1.285 1.00 0.00 H new ATOM 659 N VAL A 42 6.361 2.955 -2.304 1.00 0.00 N ATOM 660 CA VAL A 42 6.131 4.014 -3.273 1.00 0.00 C ATOM 661 C VAL A 42 5.819 5.423 -2.690 1.00 0.00 C ATOM 662 O VAL A 42 5.143 6.216 -3.349 1.00 0.00 O ATOM 663 CB VAL A 42 5.050 3.566 -4.290 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.648 3.654 -3.717 1.00 0.00 C ATOM 665 CG2 VAL A 42 5.166 4.342 -5.588 1.00 0.00 C ATOM 0 H VAL A 42 5.817 3.005 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 42 7.089 4.159 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 42 5.234 2.514 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.927 3.330 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.572 3.011 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.436 4.684 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.396 4.007 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.037 5.406 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.149 4.172 -6.027 1.00 0.00 H new ATOM 675 N PRO A 43 6.283 5.808 -1.469 1.00 0.00 N ATOM 676 CA PRO A 43 6.126 7.159 -0.993 1.00 0.00 C ATOM 677 C PRO A 43 7.462 7.868 -0.765 1.00 0.00 C ATOM 678 O PRO A 43 8.381 7.778 -1.576 1.00 0.00 O ATOM 679 CB PRO A 43 5.466 6.853 0.332 1.00 0.00 C ATOM 680 CG PRO A 43 6.262 5.696 0.850 1.00 0.00 C ATOM 681 CD PRO A 43 6.844 5.008 -0.367 1.00 0.00 C ATOM 0 HA PRO A 43 5.592 7.821 -1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.508 7.706 1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.414 6.595 0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.051 6.035 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.632 5.013 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.934 5.026 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.543 3.962 -0.428 1.00 0.00 H new ATOM 689 N ASP A 44 7.553 8.523 0.388 1.00 0.00 N ATOM 690 CA ASP A 44 8.729 9.295 0.790 1.00 0.00 C ATOM 691 C ASP A 44 8.807 9.373 2.313 1.00 0.00 C ATOM 692 O ASP A 44 9.484 8.575 2.957 1.00 0.00 O ATOM 693 CB ASP A 44 8.696 10.717 0.215 1.00 0.00 C ATOM 694 CG ASP A 44 9.111 10.786 -1.239 1.00 0.00 C ATOM 695 OD1 ASP A 44 10.331 10.788 -1.518 1.00 0.00 O ATOM 696 OD2 ASP A 44 8.223 10.865 -2.111 1.00 0.00 O ATOM 0 H ASP A 44 6.804 8.534 1.080 1.00 0.00 H new ATOM 0 HA ASP A 44 9.607 8.784 0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.688 11.119 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.355 11.355 0.804 1.00 0.00 H new ATOM 701 N GLU A 45 8.090 10.332 2.879 1.00 0.00 N ATOM 702 CA GLU A 45 8.036 10.511 4.324 1.00 0.00 C ATOM 703 C GLU A 45 6.606 10.829 4.758 1.00 0.00 C ATOM 704 O GLU A 45 5.929 9.987 5.344 1.00 0.00 O ATOM 705 CB GLU A 45 8.986 11.627 4.759 1.00 0.00 C ATOM 706 CG GLU A 45 8.951 11.912 6.248 1.00 0.00 C ATOM 707 CD GLU A 45 9.809 13.096 6.625 1.00 0.00 C ATOM 708 OE1 GLU A 45 9.564 14.202 6.099 1.00 0.00 O ATOM 709 OE2 GLU A 45 10.742 12.925 7.437 1.00 0.00 O ATOM 0 H GLU A 45 7.532 11.005 2.354 1.00 0.00 H new ATOM 0 HA GLU A 45 8.351 9.585 4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.003 11.358 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.733 12.539 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.922 12.099 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.292 11.031 6.792 1.00 0.00 H new ATOM 716 N ARG A 46 6.134 12.036 4.447 1.00 0.00 N ATOM 717 CA ARG A 46 4.743 12.390 4.706 1.00 0.00 C ATOM 718 C ARG A 46 3.865 11.580 3.773 1.00 0.00 C ATOM 719 O ARG A 46 2.738 11.205 4.102 1.00 0.00 O ATOM 720 CB ARG A 46 4.503 13.899 4.505 1.00 0.00 C ATOM 721 CG ARG A 46 4.500 14.367 3.052 1.00 0.00 C ATOM 722 CD ARG A 46 3.100 14.342 2.449 1.00 0.00 C ATOM 723 NE ARG A 46 2.170 15.225 3.157 1.00 0.00 N ATOM 724 CZ ARG A 46 0.909 15.439 2.779 1.00 0.00 C ATOM 725 NH1 ARG A 46 0.440 14.881 1.669 1.00 0.00 N ATOM 726 NH2 ARG A 46 0.120 16.216 3.510 1.00 0.00 N ATOM 0 H ARG A 46 6.690 12.777 4.020 1.00 0.00 H new ATOM 0 HA ARG A 46 4.497 12.163 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.547 14.162 4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.273 14.449 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.901 15.379 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.160 13.729 2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.153 14.640 1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.716 13.322 2.471 1.00 0.00 H new ATOM 0 HE ARG A 46 2.508 15.706 3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.045 14.286 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.525 15.047 1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.478 16.650 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.844 16.380 3.221 1.00 0.00 H new ATOM 740 N LEU A 47 4.420 11.304 2.602 1.00 0.00 N ATOM 741 CA LEU A 47 3.738 10.530 1.593 1.00 0.00 C ATOM 742 C LEU A 47 3.542 9.098 2.081 1.00 0.00 C ATOM 743 O LEU A 47 2.514 8.494 1.838 1.00 0.00 O ATOM 744 CB LEU A 47 4.545 10.551 0.291 1.00 0.00 C ATOM 745 CG LEU A 47 3.718 10.439 -0.989 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.603 10.602 -2.216 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.997 9.105 -1.031 1.00 0.00 C ATOM 0 H LEU A 47 5.354 11.613 2.332 1.00 0.00 H new ATOM 0 HA LEU A 47 2.758 10.967 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.120 11.476 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.263 9.731 0.314 1.00 0.00 H new ATOM 0 HG LEU A 47 2.977 11.239 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.995 10.519 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.083 11.580 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.366 9.824 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.411 9.037 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.727 8.296 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.334 9.022 -0.170 1.00 0.00 H new ATOM 759 N ALA A 48 4.541 8.578 2.782 1.00 0.00 N ATOM 760 CA ALA A 48 4.519 7.209 3.312 1.00 0.00 C ATOM 761 C ALA A 48 3.209 6.903 4.023 1.00 0.00 C ATOM 762 O ALA A 48 2.566 5.862 3.797 1.00 0.00 O ATOM 763 CB ALA A 48 5.681 7.043 4.268 1.00 0.00 C ATOM 0 H ALA A 48 5.395 9.090 3.003 1.00 0.00 H new ATOM 0 HA ALA A 48 4.607 6.509 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.679 6.030 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.617 7.221 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.585 7.759 5.085 1.00 0.00 H new ATOM 769 N GLU A 49 2.798 7.856 4.828 1.00 0.00 N ATOM 770 CA GLU A 49 1.637 7.708 5.672 1.00 0.00 C ATOM 771 C GLU A 49 0.392 7.761 4.819 1.00 0.00 C ATOM 772 O GLU A 49 -0.539 6.996 5.010 1.00 0.00 O ATOM 773 CB GLU A 49 1.602 8.818 6.721 1.00 0.00 C ATOM 774 CG GLU A 49 2.909 8.983 7.484 1.00 0.00 C ATOM 775 CD GLU A 49 3.306 7.743 8.257 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.881 7.612 9.425 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.048 6.902 7.708 1.00 0.00 O ATOM 0 H GLU A 49 3.263 8.760 4.915 1.00 0.00 H new ATOM 0 HA GLU A 49 1.684 6.748 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.356 9.760 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.801 8.609 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.703 9.236 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.816 9.821 8.175 1.00 0.00 H new ATOM 784 N GLN A 50 0.407 8.633 3.830 1.00 0.00 N ATOM 785 CA GLN A 50 -0.747 8.796 2.990 1.00 0.00 C ATOM 786 C GLN A 50 -0.814 7.654 1.985 1.00 0.00 C ATOM 787 O GLN A 50 -1.860 7.376 1.414 1.00 0.00 O ATOM 788 CB GLN A 50 -0.734 10.165 2.289 1.00 0.00 C ATOM 789 CG GLN A 50 0.011 10.199 0.966 1.00 0.00 C ATOM 790 CD GLN A 50 -0.921 10.174 -0.237 1.00 0.00 C ATOM 791 OE1 GLN A 50 -0.608 10.725 -1.290 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.069 9.526 -0.091 1.00 0.00 N ATOM 0 H GLN A 50 1.200 9.230 3.596 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.643 8.765 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.764 10.479 2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.285 10.897 2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.627 11.097 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.688 9.346 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.294 9.081 0.799 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.727 9.473 -0.869 1.00 0.00 H new ATOM 801 N VAL A 51 0.286 6.945 1.822 1.00 0.00 N ATOM 802 CA VAL A 51 0.378 5.984 0.754 1.00 0.00 C ATOM 803 C VAL A 51 -0.353 4.725 1.164 1.00 0.00 C ATOM 804 O VAL A 51 -1.258 4.286 0.475 1.00 0.00 O ATOM 805 CB VAL A 51 1.849 5.706 0.314 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.446 4.459 0.942 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.933 5.629 -1.200 1.00 0.00 C ATOM 0 H VAL A 51 1.116 7.018 2.410 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.101 6.400 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 51 2.445 6.543 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.470 4.329 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.445 4.562 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.852 3.590 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.963 5.435 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.293 4.823 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.603 6.574 -1.631 1.00 0.00 H new ATOM 817 N ARG A 52 -0.036 4.183 2.328 1.00 0.00 N ATOM 818 CA ARG A 52 -0.729 2.981 2.752 1.00 0.00 C ATOM 819 C ARG A 52 -2.068 3.344 3.368 1.00 0.00 C ATOM 820 O ARG A 52 -3.106 2.747 3.058 1.00 0.00 O ATOM 821 CB ARG A 52 0.086 2.173 3.756 1.00 0.00 C ATOM 822 CG ARG A 52 1.486 2.702 4.041 1.00 0.00 C ATOM 823 CD ARG A 52 1.947 2.236 5.409 1.00 0.00 C ATOM 824 NE ARG A 52 2.474 3.336 6.217 1.00 0.00 N ATOM 825 CZ ARG A 52 2.022 3.634 7.438 1.00 0.00 C ATOM 826 NH1 ARG A 52 1.070 2.895 7.995 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.514 4.671 8.102 1.00 0.00 N ATOM 0 H ARG A 52 0.669 4.539 2.974 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.878 2.364 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.466 2.131 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.171 1.150 3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.179 2.352 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.488 3.791 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.113 1.770 5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.716 1.473 5.291 1.00 0.00 H new ATOM 0 HE ARG A 52 3.226 3.905 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.682 2.098 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.726 3.124 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.243 5.247 7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.164 4.892 9.034 1.00 0.00 H new ATOM 841 N GLU A 53 -2.049 4.368 4.204 1.00 0.00 N ATOM 842 CA GLU A 53 -3.193 4.681 5.028 1.00 0.00 C ATOM 843 C GLU A 53 -4.285 5.367 4.245 1.00 0.00 C ATOM 844 O GLU A 53 -5.428 5.326 4.650 1.00 0.00 O ATOM 845 CB GLU A 53 -2.786 5.548 6.202 1.00 0.00 C ATOM 846 CG GLU A 53 -1.586 5.003 6.953 1.00 0.00 C ATOM 847 CD GLU A 53 -1.441 5.592 8.339 1.00 0.00 C ATOM 848 OE1 GLU A 53 -0.908 6.712 8.471 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.859 4.929 9.308 1.00 0.00 O ATOM 0 H GLU A 53 -1.253 4.993 4.327 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.587 3.734 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.558 6.552 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.627 5.638 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.675 3.919 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.682 5.208 6.380 1.00 0.00 H new ATOM 856 N LEU A 54 -3.956 6.006 3.137 1.00 0.00 N ATOM 857 CA LEU A 54 -4.995 6.612 2.325 1.00 0.00 C ATOM 858 C LEU A 54 -5.399 5.685 1.209 1.00 0.00 C ATOM 859 O LEU A 54 -6.544 5.680 0.820 1.00 0.00 O ATOM 860 CB LEU A 54 -4.614 7.990 1.777 1.00 0.00 C ATOM 861 CG LEU A 54 -4.753 9.140 2.776 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.835 8.917 3.957 1.00 0.00 C ATOM 863 CD2 LEU A 54 -4.466 10.476 2.106 1.00 0.00 C ATOM 0 H LEU A 54 -3.005 6.118 2.786 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.847 6.775 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.582 7.954 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.237 8.205 0.909 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.781 9.165 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.942 9.742 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.098 7.981 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.803 8.867 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.571 11.279 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.450 10.474 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.171 10.633 1.290 1.00 0.00 H new ATOM 875 N TYR A 55 -4.493 4.858 0.714 1.00 0.00 N ATOM 876 CA TYR A 55 -4.892 3.884 -0.306 1.00 0.00 C ATOM 877 C TYR A 55 -6.026 3.036 0.242 1.00 0.00 C ATOM 878 O TYR A 55 -6.934 2.643 -0.477 1.00 0.00 O ATOM 879 CB TYR A 55 -3.742 2.968 -0.730 1.00 0.00 C ATOM 880 CG TYR A 55 -2.788 3.560 -1.748 1.00 0.00 C ATOM 881 CD1 TYR A 55 -2.877 4.889 -2.143 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.780 2.778 -2.299 1.00 0.00 C ATOM 883 CE1 TYR A 55 -1.992 5.420 -3.061 1.00 0.00 C ATOM 884 CE2 TYR A 55 -0.894 3.301 -3.217 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.002 4.620 -3.596 1.00 0.00 C ATOM 886 OH TYR A 55 -0.120 5.138 -4.514 1.00 0.00 O ATOM 0 H TYR A 55 -3.510 4.834 0.984 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.205 4.442 -1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.174 2.690 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.162 2.050 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.650 5.517 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.689 1.743 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.074 6.455 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.118 2.678 -3.637 1.00 0.00 H new ATOM 0 HH TYR A 55 0.513 4.442 -4.788 1.00 0.00 H new ATOM 896 N ARG A 56 -5.986 2.822 1.547 1.00 0.00 N ATOM 897 CA ARG A 56 -6.960 1.982 2.218 1.00 0.00 C ATOM 898 C ARG A 56 -8.315 2.681 2.394 1.00 0.00 C ATOM 899 O ARG A 56 -9.265 2.066 2.879 1.00 0.00 O ATOM 900 CB ARG A 56 -6.416 1.569 3.584 1.00 0.00 C ATOM 901 CG ARG A 56 -6.683 2.605 4.652 1.00 0.00 C ATOM 902 CD ARG A 56 -5.951 2.299 5.953 1.00 0.00 C ATOM 903 NE ARG A 56 -6.177 3.344 6.950 1.00 0.00 N ATOM 904 CZ ARG A 56 -5.307 3.676 7.902 1.00 0.00 C ATOM 905 NH1 ARG A 56 -4.182 2.983 8.059 1.00 0.00 N ATOM 906 NH2 ARG A 56 -5.576 4.692 8.712 1.00 0.00 N ATOM 0 H ARG A 56 -5.282 3.223 2.166 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.126 1.106 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.868 0.622 3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.342 1.400 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.377 3.586 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.755 2.657 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.289 1.340 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.883 2.205 5.758 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.060 3.853 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.981 2.191 7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.520 3.243 8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.445 5.214 8.604 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.913 4.951 9.443 1.00 0.00 H new ATOM 920 N ARG A 57 -8.425 3.960 2.025 1.00 0.00 N ATOM 921 CA ARG A 57 -9.655 4.697 2.324 1.00 0.00 C ATOM 922 C ARG A 57 -10.000 5.804 1.329 1.00 0.00 C ATOM 923 O ARG A 57 -11.167 6.074 1.116 1.00 0.00 O ATOM 924 CB ARG A 57 -9.570 5.285 3.723 1.00 0.00 C ATOM 925 CG ARG A 57 -8.156 5.608 4.139 1.00 0.00 C ATOM 926 CD ARG A 57 -8.104 6.421 5.412 1.00 0.00 C ATOM 927 NE ARG A 57 -8.881 5.801 6.490 1.00 0.00 N ATOM 928 CZ ARG A 57 -8.684 6.033 7.784 1.00 0.00 C ATOM 929 NH1 ARG A 57 -7.684 6.809 8.182 1.00 0.00 N ATOM 930 NH2 ARG A 57 -9.485 5.477 8.684 1.00 0.00 N ATOM 0 H ARG A 57 -7.705 4.492 1.536 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.460 3.966 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.173 6.192 3.768 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.001 4.581 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.600 4.681 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.661 6.158 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.067 6.532 5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.487 7.423 5.219 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.621 5.149 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.061 7.231 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.538 6.983 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.250 4.873 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.336 5.653 9.678 1.00 0.00 H new ATOM 944 N TYR A 58 -9.018 6.463 0.744 1.00 0.00 N ATOM 945 CA TYR A 58 -9.313 7.584 -0.145 1.00 0.00 C ATOM 946 C TYR A 58 -9.023 7.270 -1.625 1.00 0.00 C ATOM 947 O TYR A 58 -9.959 7.160 -2.403 1.00 0.00 O ATOM 948 CB TYR A 58 -8.602 8.859 0.330 1.00 0.00 C ATOM 949 CG TYR A 58 -9.221 9.475 1.564 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.299 8.755 2.736 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.726 10.770 1.552 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.862 9.291 3.873 1.00 0.00 C ATOM 953 CE2 TYR A 58 -10.292 11.321 2.688 1.00 0.00 C ATOM 954 CZ TYR A 58 -10.358 10.576 3.846 1.00 0.00 C ATOM 955 OH TYR A 58 -10.928 11.117 4.978 1.00 0.00 O ATOM 0 H TYR A 58 -8.027 6.252 0.861 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.387 7.761 -0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.557 8.627 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.613 9.593 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.910 7.748 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.676 11.353 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.914 8.707 4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.680 12.329 2.668 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.226 12.031 4.789 1.00 0.00 H new ATOM 965 N PRO A 59 -7.747 7.155 -2.060 1.00 0.00 N ATOM 966 CA PRO A 59 -7.409 6.710 -3.425 1.00 0.00 C ATOM 967 C PRO A 59 -8.164 5.459 -3.897 1.00 0.00 C ATOM 968 O PRO A 59 -8.581 5.388 -5.050 1.00 0.00 O ATOM 969 CB PRO A 59 -5.913 6.422 -3.302 1.00 0.00 C ATOM 970 CG PRO A 59 -5.442 7.439 -2.338 1.00 0.00 C ATOM 971 CD PRO A 59 -6.530 7.545 -1.320 1.00 0.00 C ATOM 0 HA PRO A 59 -7.684 7.457 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.728 5.411 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.406 6.515 -4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.500 7.140 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.267 8.396 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.349 6.885 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.610 8.558 -0.924 1.00 0.00 H new