USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -133:sc= 0.917 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 24 SER OG : rot 180:sc= -0.363 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 29 THR OG1 : rot -34:sc= 0.514 USER MOD Single : A 30 GLN : amide:sc= -7.52! C(o=-7.5!,f=-11!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.883 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 117:sc= 0.0331 USER MOD Single : A 35 SER OG : rot -150:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.04 K(o=-1,f=-5.7!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.35 K(o=0.35,f=-2.3!) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.737 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 77 HIS :FLIP no HE2:sc= -3.03 F(o=-4.1,f=-3) USER MOD Single : A 81 SER OG : rot -34:sc= 0.963 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -49:sc= 1.35 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc=-0.00681 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.869 -0.146 0.491 1.00 23.12 N ATOM 2 CA PRO A 1 2.513 -0.181 -0.825 1.00 63.02 C ATOM 3 C PRO A 1 2.238 -1.482 -1.571 1.00 71.21 C ATOM 4 O PRO A 1 1.719 -2.441 -0.997 1.00 54.44 O ATOM 5 CB PRO A 1 4.003 -0.059 -0.495 1.00 30.23 C ATOM 6 CG PRO A 1 4.128 -0.587 0.893 1.00 74.33 C ATOM 7 CD PRO A 1 2.846 -0.225 1.591 1.00 51.55 C ATOM 0 H2 PRO A 1 1.211 -0.922 0.566 1.00 23.12 H new ATOM 0 H3 PRO A 1 1.328 0.714 0.580 1.00 23.12 H new ATOM 0 HA PRO A 1 2.142 0.607 -1.481 1.00 63.02 H new ATOM 0 HB2 PRO A 1 4.612 -0.633 -1.193 1.00 30.23 H new ATOM 0 HB3 PRO A 1 4.339 0.976 -0.557 1.00 30.23 H new ATOM 0 HG2 PRO A 1 4.278 -1.667 0.888 1.00 74.33 H new ATOM 0 HG3 PRO A 1 4.987 -0.148 1.402 1.00 74.33 H new ATOM 0 HD2 PRO A 1 2.563 -0.978 2.327 1.00 51.55 H new ATOM 0 HD3 PRO A 1 2.931 0.723 2.122 1.00 51.55 H new ATOM 15 N LEU A 2 2.589 -1.510 -2.852 1.00 32.10 N ATOM 16 CA LEU A 2 2.380 -2.695 -3.677 1.00 12.11 C ATOM 17 C LEU A 2 3.579 -2.944 -4.586 1.00 50.00 C ATOM 18 O LEU A 2 4.365 -2.036 -4.859 1.00 0.03 O ATOM 19 CB LEU A 2 1.112 -2.538 -4.518 1.00 13.21 C ATOM 20 CG LEU A 2 0.888 -1.161 -5.144 1.00 42.04 C ATOM 21 CD1 LEU A 2 0.717 -1.281 -6.651 1.00 35.53 C ATOM 22 CD2 LEU A 2 -0.322 -0.481 -4.521 1.00 21.24 C ATOM 0 H LEU A 2 3.020 -0.726 -3.342 1.00 32.10 H new ATOM 0 HA LEU A 2 2.265 -3.553 -3.015 1.00 12.11 H new ATOM 0 HB2 LEU A 2 1.136 -3.279 -5.317 1.00 13.21 H new ATOM 0 HB3 LEU A 2 0.252 -2.774 -3.891 1.00 13.21 H new ATOM 0 HG LEU A 2 1.766 -0.547 -4.946 1.00 42.04 H new ATOM 0 HD11 LEU A 2 0.559 -0.291 -7.079 1.00 35.53 H new ATOM 0 HD12 LEU A 2 1.613 -1.725 -7.085 1.00 35.53 H new ATOM 0 HD13 LEU A 2 -0.143 -1.913 -6.870 1.00 35.53 H new ATOM 0 HD21 LEU A 2 -0.465 0.498 -4.979 1.00 21.24 H new ATOM 0 HD22 LEU A 2 -1.209 -1.093 -4.687 1.00 21.24 H new ATOM 0 HD23 LEU A 2 -0.160 -0.360 -3.450 1.00 21.24 H new ATOM 34 N THR A 3 3.713 -4.181 -5.055 1.00 50.20 N ATOM 35 CA THR A 3 4.815 -4.549 -5.934 1.00 61.54 C ATOM 36 C THR A 3 4.309 -5.277 -7.175 1.00 1.12 C ATOM 37 O THR A 3 3.243 -5.892 -7.154 1.00 13.34 O ATOM 38 CB THR A 3 5.837 -5.445 -5.209 1.00 61.11 C ATOM 39 OG1 THR A 3 7.017 -5.588 -6.008 1.00 32.41 O ATOM 40 CG2 THR A 3 5.245 -6.816 -4.919 1.00 23.10 C ATOM 0 H THR A 3 3.072 -4.944 -4.840 1.00 50.20 H new ATOM 0 HA THR A 3 5.303 -3.622 -6.233 1.00 61.54 H new ATOM 0 HB THR A 3 6.095 -4.971 -4.262 1.00 61.11 H new ATOM 0 HG1 THR A 3 7.662 -6.158 -5.539 1.00 32.41 H new ATOM 0 HG21 THR A 3 5.985 -7.431 -4.407 1.00 23.10 H new ATOM 0 HG22 THR A 3 4.364 -6.706 -4.286 1.00 23.10 H new ATOM 0 HG23 THR A 3 4.961 -7.295 -5.856 1.00 23.10 H new ATOM 48 N ARG A 4 5.081 -5.204 -8.254 1.00 50.42 N ATOM 49 CA ARG A 4 4.710 -5.855 -9.504 1.00 71.35 C ATOM 50 C ARG A 4 5.334 -7.244 -9.600 1.00 21.44 C ATOM 51 O ARG A 4 6.300 -7.566 -8.908 1.00 24.40 O ATOM 52 CB ARG A 4 5.149 -5.004 -10.698 1.00 32.54 C ATOM 53 CG ARG A 4 4.029 -4.168 -11.294 1.00 74.34 C ATOM 54 CD ARG A 4 4.560 -3.170 -12.311 1.00 75.24 C ATOM 55 NE ARG A 4 3.801 -1.923 -12.302 1.00 15.54 N ATOM 56 CZ ARG A 4 3.943 -0.983 -11.373 1.00 70.04 C ATOM 57 NH1 ARG A 4 4.812 -1.149 -10.385 1.00 55.24 N ATOM 58 NH2 ARG A 4 3.216 0.125 -11.433 1.00 1.54 N ATOM 0 H ARG A 4 5.967 -4.700 -8.288 1.00 50.42 H new ATOM 0 HA ARG A 4 3.625 -5.960 -9.521 1.00 71.35 H new ATOM 0 HB2 ARG A 4 5.957 -4.343 -10.385 1.00 32.54 H new ATOM 0 HB3 ARG A 4 5.553 -5.658 -11.470 1.00 32.54 H new ATOM 0 HG2 ARG A 4 3.299 -4.822 -11.771 1.00 74.34 H new ATOM 0 HG3 ARG A 4 3.508 -3.636 -10.498 1.00 74.34 H new ATOM 0 HD2 ARG A 4 5.608 -2.958 -12.098 1.00 75.24 H new ATOM 0 HD3 ARG A 4 4.520 -3.611 -13.307 1.00 75.24 H new ATOM 0 HE ARG A 4 3.125 -1.764 -13.049 1.00 15.54 H new ATOM 0 HH11 ARG A 4 5.373 -1.999 -10.337 1.00 55.24 H new ATOM 0 HH12 ARG A 4 4.919 -0.426 -9.673 1.00 55.24 H new ATOM 0 HH21 ARG A 4 2.548 0.256 -12.192 1.00 1.54 H new ATOM 0 HH22 ARG A 4 3.325 0.846 -10.720 1.00 1.54 H new ATOM 72 N PRO A 5 4.770 -8.088 -10.476 1.00 74.31 N ATOM 73 CA PRO A 5 5.254 -9.456 -10.683 1.00 22.34 C ATOM 74 C PRO A 5 6.613 -9.492 -11.374 1.00 11.20 C ATOM 75 O PRO A 5 6.709 -9.814 -12.559 1.00 2.35 O ATOM 76 CB PRO A 5 4.182 -10.081 -11.578 1.00 72.15 C ATOM 77 CG PRO A 5 3.567 -8.928 -12.294 1.00 32.13 C ATOM 78 CD PRO A 5 3.615 -7.772 -11.334 1.00 0.24 C ATOM 0 HA PRO A 5 5.401 -9.983 -9.740 1.00 22.34 H new ATOM 0 HB2 PRO A 5 4.617 -10.795 -12.277 1.00 72.15 H new ATOM 0 HB3 PRO A 5 3.441 -10.622 -10.990 1.00 72.15 H new ATOM 0 HG2 PRO A 5 4.115 -8.699 -13.208 1.00 32.13 H new ATOM 0 HG3 PRO A 5 2.541 -9.152 -12.585 1.00 32.13 H new ATOM 0 HD2 PRO A 5 3.748 -6.823 -11.854 1.00 0.24 H new ATOM 0 HD3 PRO A 5 2.695 -7.692 -10.755 1.00 0.24 H new ATOM 86 N TYR A 6 7.660 -9.160 -10.627 1.00 41.24 N ATOM 87 CA TYR A 6 9.014 -9.152 -11.170 1.00 14.14 C ATOM 88 C TYR A 6 9.936 -10.046 -10.346 1.00 13.52 C ATOM 89 O TYR A 6 9.992 -9.938 -9.120 1.00 33.20 O ATOM 90 CB TYR A 6 9.564 -7.725 -11.203 1.00 31.11 C ATOM 91 CG TYR A 6 9.997 -7.275 -12.580 1.00 13.01 C ATOM 92 CD1 TYR A 6 11.329 -6.987 -12.851 1.00 52.12 C ATOM 93 CD2 TYR A 6 9.074 -7.137 -13.609 1.00 40.23 C ATOM 94 CE1 TYR A 6 11.729 -6.575 -14.108 1.00 11.35 C ATOM 95 CE2 TYR A 6 9.465 -6.727 -14.869 1.00 43.40 C ATOM 96 CZ TYR A 6 10.794 -6.447 -15.113 1.00 54.52 C ATOM 97 OH TYR A 6 11.187 -6.036 -16.366 1.00 62.33 O ATOM 0 H TYR A 6 7.598 -8.893 -9.645 1.00 41.24 H new ATOM 0 HA TYR A 6 8.973 -9.542 -12.187 1.00 14.14 H new ATOM 0 HB2 TYR A 6 8.801 -7.042 -10.830 1.00 31.11 H new ATOM 0 HB3 TYR A 6 10.414 -7.656 -10.524 1.00 31.11 H new ATOM 0 HD1 TYR A 6 12.064 -7.087 -12.066 1.00 52.12 H new ATOM 0 HD2 TYR A 6 8.033 -7.354 -13.421 1.00 40.23 H new ATOM 0 HE1 TYR A 6 12.768 -6.355 -14.302 1.00 11.35 H new ATOM 0 HE2 TYR A 6 8.735 -6.626 -15.658 1.00 43.40 H new ATOM 0 HH TYR A 6 10.407 -5.999 -16.958 1.00 62.33 H new ATOM 107 N LEU A 7 10.658 -10.927 -11.028 1.00 22.31 N ATOM 108 CA LEU A 7 11.580 -11.841 -10.361 1.00 52.41 C ATOM 109 C LEU A 7 13.022 -11.546 -10.760 1.00 63.33 C ATOM 110 O LEU A 7 13.368 -11.572 -11.941 1.00 21.24 O ATOM 111 CB LEU A 7 11.229 -13.290 -10.703 1.00 45.22 C ATOM 112 CG LEU A 7 10.864 -13.566 -12.162 1.00 44.42 C ATOM 113 CD1 LEU A 7 11.342 -14.948 -12.580 1.00 1.40 C ATOM 114 CD2 LEU A 7 9.363 -13.433 -12.370 1.00 52.25 C ATOM 0 H LEU A 7 10.624 -11.029 -12.042 1.00 22.31 H new ATOM 0 HA LEU A 7 11.484 -11.695 -9.285 1.00 52.41 H new ATOM 0 HB2 LEU A 7 12.077 -13.921 -10.436 1.00 45.22 H new ATOM 0 HB3 LEU A 7 10.393 -13.598 -10.076 1.00 45.22 H new ATOM 0 HG LEU A 7 11.364 -12.827 -12.788 1.00 44.42 H new ATOM 0 HD11 LEU A 7 11.073 -15.126 -13.621 1.00 1.40 H new ATOM 0 HD12 LEU A 7 12.425 -15.007 -12.469 1.00 1.40 H new ATOM 0 HD13 LEU A 7 10.871 -15.702 -11.949 1.00 1.40 H new ATOM 0 HD21 LEU A 7 9.121 -13.633 -13.414 1.00 52.25 H new ATOM 0 HD22 LEU A 7 8.843 -14.149 -11.734 1.00 52.25 H new ATOM 0 HD23 LEU A 7 9.048 -12.422 -12.112 1.00 52.25 H new ATOM 126 N GLY A 8 13.861 -11.268 -9.767 1.00 21.33 N ATOM 127 CA GLY A 8 15.257 -10.975 -10.034 1.00 60.44 C ATOM 128 C GLY A 8 16.197 -11.817 -9.195 1.00 64.53 C ATOM 129 O GLY A 8 17.309 -11.392 -8.880 1.00 61.41 O ATOM 0 H GLY A 8 13.599 -11.240 -8.782 1.00 21.33 H new ATOM 0 HA2 GLY A 8 15.465 -11.146 -11.090 1.00 60.44 H new ATOM 0 HA3 GLY A 8 15.447 -9.920 -9.839 1.00 60.44 H new ATOM 133 N PHE A 9 15.751 -13.015 -8.831 1.00 1.13 N ATOM 134 CA PHE A 9 16.560 -13.918 -8.020 1.00 72.13 C ATOM 135 C PHE A 9 16.296 -15.372 -8.400 1.00 23.45 C ATOM 136 O PHE A 9 15.465 -15.660 -9.261 1.00 44.53 O ATOM 137 CB PHE A 9 16.266 -13.705 -6.534 1.00 35.41 C ATOM 138 CG PHE A 9 14.804 -13.779 -6.196 1.00 11.02 C ATOM 139 CD1 PHE A 9 14.258 -14.939 -5.671 1.00 62.42 C ATOM 140 CD2 PHE A 9 13.976 -12.688 -6.403 1.00 13.40 C ATOM 141 CE1 PHE A 9 12.914 -15.010 -5.359 1.00 34.35 C ATOM 142 CE2 PHE A 9 12.631 -12.753 -6.092 1.00 13.52 C ATOM 143 CZ PHE A 9 12.099 -13.916 -5.570 1.00 53.42 C ATOM 0 H PHE A 9 14.834 -13.383 -9.085 1.00 1.13 H new ATOM 0 HA PHE A 9 17.610 -13.696 -8.210 1.00 72.13 H new ATOM 0 HB2 PHE A 9 16.803 -14.455 -5.954 1.00 35.41 H new ATOM 0 HB3 PHE A 9 16.652 -12.732 -6.231 1.00 35.41 H new ATOM 0 HD1 PHE A 9 14.891 -15.798 -5.504 1.00 62.42 H new ATOM 0 HD2 PHE A 9 14.386 -11.776 -6.812 1.00 13.40 H new ATOM 0 HE1 PHE A 9 12.501 -15.921 -4.950 1.00 34.35 H new ATOM 0 HE2 PHE A 9 11.996 -11.895 -6.257 1.00 13.52 H new ATOM 0 HZ PHE A 9 11.048 -13.969 -5.328 1.00 53.42 H new ATOM 153 N ARG A 10 17.011 -16.286 -7.750 1.00 15.31 N ATOM 154 CA ARG A 10 16.856 -17.710 -8.020 1.00 30.15 C ATOM 155 C ARG A 10 16.282 -18.434 -6.805 1.00 71.12 C ATOM 156 O ARG A 10 16.628 -18.126 -5.665 1.00 23.44 O ATOM 157 CB ARG A 10 18.202 -18.327 -8.405 1.00 53.12 C ATOM 158 CG ARG A 10 18.655 -17.969 -9.811 1.00 4.40 C ATOM 159 CD ARG A 10 18.194 -19.003 -10.826 1.00 23.13 C ATOM 160 NE ARG A 10 19.260 -19.372 -11.754 1.00 31.44 N ATOM 161 CZ ARG A 10 19.191 -20.415 -12.574 1.00 42.54 C ATOM 162 NH1 ARG A 10 18.113 -21.186 -12.583 1.00 21.35 N ATOM 163 NH2 ARG A 10 20.202 -20.686 -13.390 1.00 22.22 N ATOM 0 H ARG A 10 17.702 -16.065 -7.033 1.00 15.31 H new ATOM 0 HA ARG A 10 16.161 -17.823 -8.852 1.00 30.15 H new ATOM 0 HB2 ARG A 10 18.960 -17.999 -7.693 1.00 53.12 H new ATOM 0 HB3 ARG A 10 18.133 -19.411 -8.319 1.00 53.12 H new ATOM 0 HG2 ARG A 10 18.261 -16.990 -10.083 1.00 4.40 H new ATOM 0 HG3 ARG A 10 19.742 -17.893 -9.836 1.00 4.40 H new ATOM 0 HD2 ARG A 10 17.844 -19.893 -10.303 1.00 23.13 H new ATOM 0 HD3 ARG A 10 17.346 -18.608 -11.386 1.00 23.13 H new ATOM 0 HE ARG A 10 20.103 -18.798 -11.773 1.00 31.44 H new ATOM 0 HH11 ARG A 10 17.333 -20.979 -11.959 1.00 21.35 H new ATOM 0 HH12 ARG A 10 18.063 -21.986 -13.214 1.00 21.35 H new ATOM 0 HH21 ARG A 10 21.032 -20.093 -13.388 1.00 22.22 H new ATOM 0 HH22 ARG A 10 20.149 -21.487 -14.019 1.00 22.22 H new ATOM 177 N VAL A 11 15.402 -19.398 -7.058 1.00 53.45 N ATOM 178 CA VAL A 11 14.780 -20.166 -5.987 1.00 12.12 C ATOM 179 C VAL A 11 14.778 -21.656 -6.309 1.00 30.14 C ATOM 180 O VAL A 11 14.289 -22.074 -7.358 1.00 25.32 O ATOM 181 CB VAL A 11 13.332 -19.705 -5.733 1.00 22.02 C ATOM 182 CG1 VAL A 11 13.317 -18.381 -4.984 1.00 32.20 C ATOM 183 CG2 VAL A 11 12.571 -19.594 -7.045 1.00 41.52 C ATOM 0 H VAL A 11 15.104 -19.665 -7.996 1.00 53.45 H new ATOM 0 HA VAL A 11 15.372 -19.992 -5.088 1.00 12.12 H new ATOM 0 HB VAL A 11 12.835 -20.451 -5.113 1.00 22.02 H new ATOM 0 HG11 VAL A 11 12.286 -18.071 -4.814 1.00 32.20 H new ATOM 0 HG12 VAL A 11 13.824 -18.499 -4.026 1.00 32.20 H new ATOM 0 HG13 VAL A 11 13.831 -17.623 -5.575 1.00 32.20 H new ATOM 0 HG21 VAL A 11 11.550 -19.267 -6.847 1.00 41.52 H new ATOM 0 HG22 VAL A 11 13.065 -18.869 -7.692 1.00 41.52 H new ATOM 0 HG23 VAL A 11 12.552 -20.566 -7.538 1.00 41.52 H new ATOM 193 N ALA A 12 15.327 -22.453 -5.398 1.00 65.11 N ATOM 194 CA ALA A 12 15.387 -23.898 -5.584 1.00 1.35 C ATOM 195 C ALA A 12 14.738 -24.629 -4.413 1.00 55.44 C ATOM 196 O ALA A 12 15.147 -24.468 -3.264 1.00 14.45 O ATOM 197 CB ALA A 12 16.830 -24.349 -5.755 1.00 1.34 C ATOM 0 H ALA A 12 15.736 -22.123 -4.524 1.00 65.11 H new ATOM 0 HA ALA A 12 14.831 -24.147 -6.488 1.00 1.35 H new ATOM 0 HB1 ALA A 12 16.859 -25.430 -5.893 1.00 1.34 H new ATOM 0 HB2 ALA A 12 17.263 -23.860 -6.628 1.00 1.34 H new ATOM 0 HB3 ALA A 12 17.403 -24.081 -4.867 1.00 1.34 H new ATOM 203 N VAL A 13 13.722 -25.432 -4.714 1.00 23.42 N ATOM 204 CA VAL A 13 13.016 -26.189 -3.687 1.00 1.34 C ATOM 205 C VAL A 13 13.788 -27.445 -3.301 1.00 62.41 C ATOM 206 O VAL A 13 14.286 -28.170 -4.162 1.00 55.21 O ATOM 207 CB VAL A 13 11.605 -26.590 -4.156 1.00 11.04 C ATOM 208 CG1 VAL A 13 11.686 -27.605 -5.286 1.00 21.04 C ATOM 209 CG2 VAL A 13 10.793 -27.139 -2.992 1.00 63.00 C ATOM 0 H VAL A 13 13.370 -25.575 -5.660 1.00 23.42 H new ATOM 0 HA VAL A 13 12.930 -25.538 -2.817 1.00 1.34 H new ATOM 0 HB VAL A 13 11.100 -25.701 -4.534 1.00 11.04 H new ATOM 0 HG11 VAL A 13 10.679 -27.876 -5.604 1.00 21.04 H new ATOM 0 HG12 VAL A 13 12.228 -27.171 -6.127 1.00 21.04 H new ATOM 0 HG13 VAL A 13 12.209 -28.496 -4.938 1.00 21.04 H new ATOM 0 HG21 VAL A 13 9.799 -27.417 -3.341 1.00 63.00 H new ATOM 0 HG22 VAL A 13 11.292 -28.017 -2.582 1.00 63.00 H new ATOM 0 HG23 VAL A 13 10.705 -26.377 -2.218 1.00 63.00 H new ATOM 219 N GLY A 14 13.884 -27.699 -1.999 1.00 40.32 N ATOM 220 CA GLY A 14 14.597 -28.869 -1.522 1.00 32.13 C ATOM 221 C GLY A 14 14.364 -29.128 -0.046 1.00 45.53 C ATOM 222 O GLY A 14 13.302 -28.807 0.487 1.00 70.50 O ATOM 0 H GLY A 14 13.481 -27.115 -1.267 1.00 40.32 H new ATOM 0 HA2 GLY A 14 14.282 -29.741 -2.095 1.00 32.13 H new ATOM 0 HA3 GLY A 14 15.664 -28.738 -1.701 1.00 32.13 H new ATOM 226 N ARG A 15 15.360 -29.710 0.615 1.00 54.42 N ATOM 227 CA ARG A 15 15.257 -30.014 2.037 1.00 43.40 C ATOM 228 C ARG A 15 16.509 -29.559 2.782 1.00 41.34 C ATOM 229 O ARG A 15 17.627 -29.717 2.291 1.00 22.44 O ATOM 230 CB ARG A 15 15.044 -31.514 2.245 1.00 20.05 C ATOM 231 CG ARG A 15 14.000 -32.115 1.319 1.00 34.22 C ATOM 232 CD ARG A 15 12.609 -31.580 1.625 1.00 24.34 C ATOM 233 NE ARG A 15 11.712 -31.701 0.479 1.00 0.45 N ATOM 234 CZ ARG A 15 10.387 -31.687 0.579 1.00 64.42 C ATOM 235 NH1 ARG A 15 9.810 -31.559 1.765 1.00 35.42 N ATOM 236 NH2 ARG A 15 9.638 -31.802 -0.510 1.00 41.23 N ATOM 0 H ARG A 15 16.246 -29.980 0.189 1.00 54.42 H new ATOM 0 HA ARG A 15 14.400 -29.473 2.438 1.00 43.40 H new ATOM 0 HB2 ARG A 15 15.992 -32.031 2.095 1.00 20.05 H new ATOM 0 HB3 ARG A 15 14.745 -31.690 3.278 1.00 20.05 H new ATOM 0 HG2 ARG A 15 14.258 -31.890 0.284 1.00 34.22 H new ATOM 0 HG3 ARG A 15 14.004 -33.200 1.420 1.00 34.22 H new ATOM 0 HD2 ARG A 15 12.190 -32.123 2.472 1.00 24.34 H new ATOM 0 HD3 ARG A 15 12.680 -30.533 1.921 1.00 24.34 H new ATOM 0 HE ARG A 15 12.125 -31.802 -0.448 1.00 0.45 H new ATOM 0 HH11 ARG A 15 10.383 -31.471 2.604 1.00 35.42 H new ATOM 0 HH12 ARG A 15 8.793 -31.549 1.839 1.00 35.42 H new ATOM 0 HH21 ARG A 15 10.079 -31.901 -1.424 1.00 41.23 H new ATOM 0 HH22 ARG A 15 8.621 -31.791 -0.433 1.00 41.23 H new ATOM 250 N ASP A 16 16.313 -28.992 3.967 1.00 33.41 N ATOM 251 CA ASP A 16 17.425 -28.515 4.780 1.00 43.30 C ATOM 252 C ASP A 16 17.787 -29.532 5.858 1.00 14.31 C ATOM 253 O ASP A 16 17.212 -30.619 5.918 1.00 52.52 O ATOM 254 CB ASP A 16 17.075 -27.173 5.424 1.00 13.43 C ATOM 255 CG ASP A 16 15.666 -27.150 5.985 1.00 42.23 C ATOM 256 OD1 ASP A 16 14.712 -27.026 5.188 1.00 2.40 O ATOM 257 OD2 ASP A 16 15.518 -27.257 7.220 1.00 73.22 O ATOM 0 H ASP A 16 15.394 -28.851 4.386 1.00 33.41 H new ATOM 0 HA ASP A 16 18.288 -28.382 4.128 1.00 43.30 H new ATOM 0 HB2 ASP A 16 17.785 -26.961 6.224 1.00 13.43 H new ATOM 0 HB3 ASP A 16 17.181 -26.380 4.684 1.00 13.43 H new ATOM 262 N SER A 17 18.743 -29.171 6.708 1.00 63.44 N ATOM 263 CA SER A 17 19.185 -30.054 7.781 1.00 71.32 C ATOM 264 C SER A 17 18.026 -30.401 8.711 1.00 42.22 C ATOM 265 O SER A 17 18.023 -31.452 9.351 1.00 13.02 O ATOM 266 CB SER A 17 20.314 -29.398 8.577 1.00 25.33 C ATOM 267 OG SER A 17 20.645 -30.167 9.721 1.00 64.23 O ATOM 0 H SER A 17 19.226 -28.273 6.674 1.00 63.44 H new ATOM 0 HA SER A 17 19.555 -30.975 7.331 1.00 71.32 H new ATOM 0 HB2 SER A 17 21.193 -29.287 7.943 1.00 25.33 H new ATOM 0 HB3 SER A 17 20.013 -28.396 8.883 1.00 25.33 H new ATOM 0 HG SER A 17 21.370 -29.727 10.212 1.00 64.23 H new ATOM 273 N SER A 18 17.044 -29.508 8.779 1.00 35.34 N ATOM 274 CA SER A 18 15.880 -29.716 9.634 1.00 61.45 C ATOM 275 C SER A 18 14.800 -30.503 8.898 1.00 73.13 C ATOM 276 O SER A 18 14.240 -31.460 9.432 1.00 42.24 O ATOM 277 CB SER A 18 15.319 -28.373 10.103 1.00 55.24 C ATOM 278 OG SER A 18 14.450 -28.542 11.210 1.00 40.45 O ATOM 0 H SER A 18 17.031 -28.634 8.253 1.00 35.34 H new ATOM 0 HA SER A 18 16.196 -30.292 10.503 1.00 61.45 H new ATOM 0 HB2 SER A 18 16.139 -27.709 10.378 1.00 55.24 H new ATOM 0 HB3 SER A 18 14.782 -27.894 9.285 1.00 55.24 H new ATOM 0 HG SER A 18 14.106 -27.669 11.492 1.00 40.45 H new ATOM 284 N GLY A 19 14.511 -30.091 7.667 1.00 64.54 N ATOM 285 CA GLY A 19 13.499 -30.768 6.876 1.00 2.53 C ATOM 286 C GLY A 19 12.114 -30.190 7.091 1.00 4.31 C ATOM 287 O GLY A 19 11.200 -30.895 7.519 1.00 53.13 O ATOM 0 H GLY A 19 14.959 -29.301 7.203 1.00 64.54 H new ATOM 0 HA2 GLY A 19 13.759 -30.697 5.820 1.00 2.53 H new ATOM 0 HA3 GLY A 19 13.491 -31.828 7.131 1.00 2.53 H new ATOM 291 N CYS A 20 11.959 -28.904 6.796 1.00 45.02 N ATOM 292 CA CYS A 20 10.676 -28.231 6.961 1.00 2.34 C ATOM 293 C CYS A 20 10.100 -27.819 5.611 1.00 52.03 C ATOM 294 O CYS A 20 9.130 -27.064 5.541 1.00 55.31 O ATOM 295 CB CYS A 20 10.833 -27.002 7.858 1.00 4.04 C ATOM 296 SG CYS A 20 10.054 -27.168 9.482 1.00 63.35 S ATOM 0 H CYS A 20 12.706 -28.307 6.441 1.00 45.02 H new ATOM 0 HA CYS A 20 9.985 -28.930 7.432 1.00 2.34 H new ATOM 0 HB2 CYS A 20 11.895 -26.799 7.996 1.00 4.04 H new ATOM 0 HB3 CYS A 20 10.407 -26.137 7.349 1.00 4.04 H new ATOM 0 HG CYS A 20 9.363 -26.098 9.743 1.00 63.35 H new ATOM 302 N THR A 21 10.705 -28.319 4.538 1.00 73.24 N ATOM 303 CA THR A 21 10.254 -28.002 3.189 1.00 50.44 C ATOM 304 C THR A 21 10.281 -26.498 2.939 1.00 5.14 C ATOM 305 O THR A 21 9.263 -25.818 3.066 1.00 55.14 O ATOM 306 CB THR A 21 8.828 -28.527 2.934 1.00 4.43 C ATOM 307 OG1 THR A 21 8.630 -29.763 3.629 1.00 4.11 O ATOM 308 CG2 THR A 21 8.584 -28.730 1.447 1.00 70.23 C ATOM 0 H THR A 21 11.509 -28.945 4.577 1.00 73.24 H new ATOM 0 HA THR A 21 10.943 -28.495 2.503 1.00 50.44 H new ATOM 0 HB THR A 21 8.120 -27.786 3.304 1.00 4.43 H new ATOM 0 HG1 THR A 21 7.721 -30.089 3.463 1.00 4.11 H new ATOM 0 HG21 THR A 21 7.571 -29.101 1.292 1.00 70.23 H new ATOM 0 HG22 THR A 21 8.707 -27.781 0.925 1.00 70.23 H new ATOM 0 HG23 THR A 21 9.299 -29.454 1.056 1.00 70.23 H new ATOM 316 N THR A 22 11.454 -25.983 2.584 1.00 45.11 N ATOM 317 CA THR A 22 11.615 -24.559 2.317 1.00 33.13 C ATOM 318 C THR A 22 12.567 -24.322 1.150 1.00 14.14 C ATOM 319 O THR A 22 13.395 -25.175 0.828 1.00 75.01 O ATOM 320 CB THR A 22 12.143 -23.812 3.556 1.00 2.51 C ATOM 321 OG1 THR A 22 12.594 -22.504 3.184 1.00 23.41 O ATOM 322 CG2 THR A 22 13.283 -24.581 4.207 1.00 52.30 C ATOM 0 H THR A 22 12.307 -26.531 2.475 1.00 45.11 H new ATOM 0 HA THR A 22 10.629 -24.172 2.061 1.00 33.13 H new ATOM 0 HB THR A 22 11.328 -23.724 4.275 1.00 2.51 H new ATOM 0 HG1 THR A 22 12.927 -22.035 3.977 1.00 23.41 H new ATOM 0 HG21 THR A 22 13.639 -24.034 5.080 1.00 52.30 H new ATOM 0 HG22 THR A 22 12.929 -25.565 4.515 1.00 52.30 H new ATOM 0 HG23 THR A 22 14.099 -24.696 3.493 1.00 52.30 H new ATOM 330 N LEU A 23 12.445 -23.159 0.521 1.00 54.43 N ATOM 331 CA LEU A 23 13.296 -22.809 -0.611 1.00 54.53 C ATOM 332 C LEU A 23 14.475 -21.952 -0.162 1.00 14.44 C ATOM 333 O LEU A 23 14.438 -21.338 0.905 1.00 71.11 O ATOM 334 CB LEU A 23 12.485 -22.064 -1.673 1.00 54.41 C ATOM 335 CG LEU A 23 11.457 -22.897 -2.440 1.00 43.11 C ATOM 336 CD1 LEU A 23 10.236 -23.167 -1.575 1.00 21.20 C ATOM 337 CD2 LEU A 23 11.055 -22.194 -3.729 1.00 25.24 C ATOM 0 H LEU A 23 11.765 -22.442 0.775 1.00 54.43 H new ATOM 0 HA LEU A 23 13.685 -23.732 -1.040 1.00 54.53 H new ATOM 0 HB2 LEU A 23 11.965 -21.237 -1.190 1.00 54.41 H new ATOM 0 HB3 LEU A 23 13.179 -21.628 -2.392 1.00 54.41 H new ATOM 0 HG LEU A 23 11.913 -23.853 -2.698 1.00 43.11 H new ATOM 0 HD11 LEU A 23 9.516 -23.761 -2.138 1.00 21.20 H new ATOM 0 HD12 LEU A 23 10.537 -23.713 -0.681 1.00 21.20 H new ATOM 0 HD13 LEU A 23 9.779 -22.221 -1.285 1.00 21.20 H new ATOM 0 HD21 LEU A 23 10.323 -22.801 -4.262 1.00 25.24 H new ATOM 0 HD22 LEU A 23 10.619 -21.223 -3.493 1.00 25.24 H new ATOM 0 HD23 LEU A 23 11.935 -22.053 -4.356 1.00 25.24 H new ATOM 349 N SER A 24 15.519 -21.913 -0.983 1.00 53.23 N ATOM 350 CA SER A 24 16.710 -21.132 -0.670 1.00 33.14 C ATOM 351 C SER A 24 17.031 -20.155 -1.796 1.00 62.04 C ATOM 352 O SER A 24 16.844 -20.465 -2.973 1.00 52.23 O ATOM 353 CB SER A 24 17.903 -22.058 -0.426 1.00 71.23 C ATOM 354 OG SER A 24 19.078 -21.315 -0.152 1.00 13.13 O ATOM 0 H SER A 24 15.564 -22.413 -1.871 1.00 53.23 H new ATOM 0 HA SER A 24 16.512 -20.560 0.237 1.00 33.14 H new ATOM 0 HB2 SER A 24 17.686 -22.723 0.410 1.00 71.23 H new ATOM 0 HB3 SER A 24 18.063 -22.688 -1.301 1.00 71.23 H new ATOM 0 HG SER A 24 19.825 -21.930 0.002 1.00 13.13 H new ATOM 360 N ILE A 25 17.516 -18.974 -1.427 1.00 20.42 N ATOM 361 CA ILE A 25 17.865 -17.952 -2.405 1.00 72.14 C ATOM 362 C ILE A 25 19.354 -17.989 -2.733 1.00 33.44 C ATOM 363 O ILE A 25 20.194 -18.049 -1.836 1.00 3.22 O ATOM 364 CB ILE A 25 17.496 -16.543 -1.904 1.00 30.42 C ATOM 365 CG1 ILE A 25 16.009 -16.478 -1.548 1.00 63.00 C ATOM 366 CG2 ILE A 25 17.841 -15.500 -2.955 1.00 50.54 C ATOM 367 CD1 ILE A 25 15.096 -16.850 -2.695 1.00 65.53 C ATOM 0 H ILE A 25 17.676 -18.702 -0.457 1.00 20.42 H new ATOM 0 HA ILE A 25 17.292 -18.170 -3.306 1.00 72.14 H new ATOM 0 HB ILE A 25 18.075 -16.330 -1.005 1.00 30.42 H new ATOM 0 HG12 ILE A 25 15.815 -17.146 -0.709 1.00 63.00 H new ATOM 0 HG13 ILE A 25 15.767 -15.469 -1.215 1.00 63.00 H new ATOM 0 HG21 ILE A 25 17.574 -14.510 -2.586 1.00 50.54 H new ATOM 0 HG22 ILE A 25 18.910 -15.534 -3.164 1.00 50.54 H new ATOM 0 HG23 ILE A 25 17.286 -15.708 -3.870 1.00 50.54 H new ATOM 0 HD11 ILE A 25 14.058 -16.782 -2.370 1.00 65.53 H new ATOM 0 HD12 ILE A 25 15.261 -16.167 -3.528 1.00 65.53 H new ATOM 0 HD13 ILE A 25 15.310 -17.870 -3.014 1.00 65.53 H new ATOM 379 N GLN A 26 19.672 -17.952 -4.023 1.00 34.24 N ATOM 380 CA GLN A 26 21.060 -17.981 -4.468 1.00 12.42 C ATOM 381 C GLN A 26 21.490 -16.616 -4.997 1.00 73.41 C ATOM 382 O GLN A 26 22.676 -16.371 -5.214 1.00 53.32 O ATOM 383 CB GLN A 26 21.248 -19.044 -5.551 1.00 43.23 C ATOM 384 CG GLN A 26 21.262 -20.465 -5.013 1.00 23.32 C ATOM 385 CD GLN A 26 20.018 -21.245 -5.390 1.00 40.44 C ATOM 386 OE1 GLN A 26 19.099 -21.397 -4.585 1.00 53.14 O ATOM 387 NE2 GLN A 26 19.982 -21.743 -6.621 1.00 20.34 N ATOM 0 H GLN A 26 18.988 -17.902 -4.778 1.00 34.24 H new ATOM 0 HA GLN A 26 21.685 -18.232 -3.611 1.00 12.42 H new ATOM 0 HB2 GLN A 26 20.447 -18.950 -6.284 1.00 43.23 H new ATOM 0 HB3 GLN A 26 22.184 -18.854 -6.076 1.00 43.23 H new ATOM 0 HG2 GLN A 26 22.141 -20.985 -5.394 1.00 23.32 H new ATOM 0 HG3 GLN A 26 21.353 -20.437 -3.927 1.00 23.32 H new ATOM 0 HE21 GLN A 26 20.767 -21.593 -7.255 1.00 20.34 H new ATOM 0 HE22 GLN A 26 19.170 -22.276 -6.932 1.00 20.34 H new ATOM 396 N GLU A 27 20.517 -15.734 -5.203 1.00 3.52 N ATOM 397 CA GLU A 27 20.797 -14.394 -5.708 1.00 74.50 C ATOM 398 C GLU A 27 20.393 -13.333 -4.689 1.00 32.14 C ATOM 399 O GLU A 27 20.075 -13.647 -3.541 1.00 62.14 O ATOM 400 CB GLU A 27 20.057 -14.158 -7.027 1.00 20.44 C ATOM 401 CG GLU A 27 20.295 -15.245 -8.061 1.00 64.33 C ATOM 402 CD GLU A 27 21.018 -14.731 -9.291 1.00 61.43 C ATOM 403 OE1 GLU A 27 22.220 -14.410 -9.181 1.00 60.25 O ATOM 404 OE2 GLU A 27 20.382 -14.650 -10.363 1.00 24.11 O ATOM 0 H GLU A 27 19.530 -15.922 -5.029 1.00 3.52 H new ATOM 0 HA GLU A 27 21.870 -14.316 -5.882 1.00 74.50 H new ATOM 0 HB2 GLU A 27 18.988 -14.087 -6.826 1.00 20.44 H new ATOM 0 HB3 GLU A 27 20.368 -13.199 -7.442 1.00 20.44 H new ATOM 0 HG2 GLU A 27 20.878 -16.048 -7.611 1.00 64.33 H new ATOM 0 HG3 GLU A 27 19.338 -15.674 -8.359 1.00 64.33 H new ATOM 411 N VAL A 28 20.408 -12.074 -5.116 1.00 22.51 N ATOM 412 CA VAL A 28 20.044 -10.966 -4.242 1.00 15.12 C ATOM 413 C VAL A 28 18.788 -10.261 -4.743 1.00 44.43 C ATOM 414 O VAL A 28 18.727 -9.819 -5.891 1.00 71.13 O ATOM 415 CB VAL A 28 21.186 -9.939 -4.131 1.00 24.32 C ATOM 416 CG1 VAL A 28 20.909 -8.951 -3.008 1.00 64.02 C ATOM 417 CG2 VAL A 28 22.517 -10.645 -3.915 1.00 13.10 C ATOM 0 H VAL A 28 20.669 -11.796 -6.062 1.00 22.51 H new ATOM 0 HA VAL A 28 19.851 -11.391 -3.257 1.00 15.12 H new ATOM 0 HB VAL A 28 21.243 -9.382 -5.066 1.00 24.32 H new ATOM 0 HG11 VAL A 28 21.727 -8.233 -2.945 1.00 64.02 H new ATOM 0 HG12 VAL A 28 19.977 -8.423 -3.210 1.00 64.02 H new ATOM 0 HG13 VAL A 28 20.824 -9.488 -2.063 1.00 64.02 H new ATOM 0 HG21 VAL A 28 23.313 -9.905 -3.839 1.00 13.10 H new ATOM 0 HG22 VAL A 28 22.474 -11.228 -2.995 1.00 13.10 H new ATOM 0 HG23 VAL A 28 22.718 -11.308 -4.756 1.00 13.10 H new ATOM 427 N THR A 29 17.787 -10.157 -3.875 1.00 3.03 N ATOM 428 CA THR A 29 16.532 -9.506 -4.229 1.00 5.22 C ATOM 429 C THR A 29 16.247 -8.325 -3.308 1.00 32.00 C ATOM 430 O THR A 29 15.335 -7.538 -3.559 1.00 51.31 O ATOM 431 CB THR A 29 15.350 -10.491 -4.163 1.00 62.04 C ATOM 432 OG1 THR A 29 14.132 -9.818 -4.500 1.00 42.25 O ATOM 433 CG2 THR A 29 15.231 -11.101 -2.775 1.00 73.41 C ATOM 0 H THR A 29 17.821 -10.516 -2.921 1.00 3.03 H new ATOM 0 HA THR A 29 16.639 -9.148 -5.253 1.00 5.22 H new ATOM 0 HB THR A 29 15.532 -11.292 -4.880 1.00 62.04 H new ATOM 0 HG1 THR A 29 14.173 -8.891 -4.186 1.00 42.25 H new ATOM 0 HG21 THR A 29 14.389 -11.793 -2.753 1.00 73.41 H new ATOM 0 HG22 THR A 29 16.149 -11.638 -2.533 1.00 73.41 H new ATOM 0 HG23 THR A 29 15.070 -10.310 -2.043 1.00 73.41 H new ATOM 441 N GLN A 30 17.032 -8.208 -2.242 1.00 62.12 N ATOM 442 CA GLN A 30 16.862 -7.122 -1.284 1.00 63.11 C ATOM 443 C GLN A 30 17.567 -5.858 -1.764 1.00 4.32 C ATOM 444 O GLN A 30 17.564 -4.834 -1.079 1.00 42.13 O ATOM 445 CB GLN A 30 17.404 -7.533 0.086 1.00 35.42 C ATOM 446 CG GLN A 30 16.451 -8.416 0.877 1.00 60.04 C ATOM 447 CD GLN A 30 17.074 -9.741 1.270 1.00 10.24 C ATOM 448 OE1 GLN A 30 16.989 -10.161 2.425 1.00 73.44 O ATOM 449 NE2 GLN A 30 17.705 -10.407 0.311 1.00 44.12 N ATOM 0 H GLN A 30 17.792 -8.852 -2.020 1.00 62.12 H new ATOM 0 HA GLN A 30 15.796 -6.911 -1.197 1.00 63.11 H new ATOM 0 HB2 GLN A 30 18.348 -8.061 -0.049 1.00 35.42 H new ATOM 0 HB3 GLN A 30 17.621 -6.636 0.666 1.00 35.42 H new ATOM 0 HG2 GLN A 30 16.133 -7.887 1.776 1.00 60.04 H new ATOM 0 HG3 GLN A 30 15.556 -8.602 0.283 1.00 60.04 H new ATOM 0 HE21 GLN A 30 17.751 -10.022 -0.632 1.00 44.12 H new ATOM 0 HE22 GLN A 30 18.144 -11.304 0.517 1.00 44.12 H new ATOM 458 N THR A 31 18.173 -5.935 -2.945 1.00 75.21 N ATOM 459 CA THR A 31 18.883 -4.798 -3.516 1.00 22.11 C ATOM 460 C THR A 31 18.164 -4.263 -4.749 1.00 63.21 C ATOM 461 O THR A 31 18.746 -3.531 -5.550 1.00 63.53 O ATOM 462 CB THR A 31 20.327 -5.173 -3.900 1.00 1.05 C ATOM 463 OG1 THR A 31 20.361 -6.497 -4.445 1.00 1.33 O ATOM 464 CG2 THR A 31 21.246 -5.093 -2.690 1.00 64.41 C ATOM 0 H THR A 31 18.186 -6.774 -3.525 1.00 75.21 H new ATOM 0 HA THR A 31 18.908 -4.024 -2.749 1.00 22.11 H new ATOM 0 HB THR A 31 20.677 -4.463 -4.650 1.00 1.05 H new ATOM 0 HG1 THR A 31 21.282 -6.727 -4.688 1.00 1.33 H new ATOM 0 HG21 THR A 31 22.260 -5.362 -2.985 1.00 64.41 H new ATOM 0 HG22 THR A 31 21.240 -4.077 -2.295 1.00 64.41 H new ATOM 0 HG23 THR A 31 20.897 -5.783 -1.922 1.00 64.41 H new ATOM 472 N TYR A 32 16.897 -4.632 -4.896 1.00 33.15 N ATOM 473 CA TYR A 32 16.099 -4.190 -6.033 1.00 74.30 C ATOM 474 C TYR A 32 14.861 -3.430 -5.567 1.00 75.15 C ATOM 475 O TYR A 32 14.293 -3.727 -4.515 1.00 42.14 O ATOM 476 CB TYR A 32 15.683 -5.389 -6.888 1.00 4.03 C ATOM 477 CG TYR A 32 16.595 -5.635 -8.069 1.00 34.00 C ATOM 478 CD1 TYR A 32 16.399 -4.969 -9.273 1.00 32.02 C ATOM 479 CD2 TYR A 32 17.650 -6.534 -7.982 1.00 4.20 C ATOM 480 CE1 TYR A 32 17.228 -5.191 -10.355 1.00 62.00 C ATOM 481 CE2 TYR A 32 18.486 -6.761 -9.058 1.00 53.05 C ATOM 482 CZ TYR A 32 18.270 -6.087 -10.243 1.00 25.52 C ATOM 483 OH TYR A 32 19.099 -6.312 -11.318 1.00 25.11 O ATOM 0 H TYR A 32 16.400 -5.236 -4.242 1.00 33.15 H new ATOM 0 HA TYR A 32 16.711 -3.518 -6.634 1.00 74.30 H new ATOM 0 HB2 TYR A 32 15.663 -6.281 -6.263 1.00 4.03 H new ATOM 0 HB3 TYR A 32 14.667 -5.231 -7.250 1.00 4.03 H new ATOM 0 HD1 TYR A 32 15.584 -4.266 -9.364 1.00 32.02 H new ATOM 0 HD2 TYR A 32 17.820 -7.065 -7.057 1.00 4.20 H new ATOM 0 HE1 TYR A 32 17.061 -4.666 -11.284 1.00 62.00 H new ATOM 0 HE2 TYR A 32 19.304 -7.462 -8.973 1.00 53.05 H new ATOM 0 HH TYR A 32 19.782 -6.970 -11.072 1.00 25.11 H new ATOM 493 N THR A 33 14.445 -2.447 -6.360 1.00 2.42 N ATOM 494 CA THR A 33 13.275 -1.642 -6.031 1.00 22.43 C ATOM 495 C THR A 33 12.676 -1.007 -7.280 1.00 11.42 C ATOM 496 O THR A 33 13.344 -0.879 -8.305 1.00 3.53 O ATOM 497 CB THR A 33 13.622 -0.533 -5.020 1.00 23.11 C ATOM 498 OG1 THR A 33 14.500 -1.046 -4.012 1.00 20.24 O ATOM 499 CG2 THR A 33 12.363 0.020 -4.370 1.00 20.23 C ATOM 0 H THR A 33 14.901 -2.189 -7.235 1.00 2.42 H new ATOM 0 HA THR A 33 12.544 -2.315 -5.583 1.00 22.43 H new ATOM 0 HB THR A 33 14.119 0.275 -5.557 1.00 23.11 H new ATOM 0 HG1 THR A 33 15.356 -0.571 -4.051 1.00 20.24 H new ATOM 0 HG21 THR A 33 12.633 0.802 -3.660 1.00 20.23 H new ATOM 0 HG22 THR A 33 11.710 0.437 -5.137 1.00 20.23 H new ATOM 0 HG23 THR A 33 11.842 -0.781 -3.846 1.00 20.23 H new ATOM 507 N GLY A 34 11.411 -0.609 -7.187 1.00 54.41 N ATOM 508 CA GLY A 34 10.743 0.010 -8.317 1.00 72.03 C ATOM 509 C GLY A 34 9.311 0.397 -8.004 1.00 70.42 C ATOM 510 O GLY A 34 8.780 1.350 -8.573 1.00 53.11 O ATOM 0 H GLY A 34 10.837 -0.704 -6.349 1.00 54.41 H new ATOM 0 HA2 GLY A 34 11.298 0.898 -8.621 1.00 72.03 H new ATOM 0 HA3 GLY A 34 10.754 -0.678 -9.163 1.00 72.03 H new ATOM 514 N SER A 35 8.684 -0.346 -7.098 1.00 33.32 N ATOM 515 CA SER A 35 7.302 -0.079 -6.714 1.00 25.51 C ATOM 516 C SER A 35 7.238 0.582 -5.341 1.00 4.23 C ATOM 517 O SER A 35 7.820 0.090 -4.375 1.00 34.42 O ATOM 518 CB SER A 35 6.493 -1.378 -6.705 1.00 44.13 C ATOM 519 OG SER A 35 6.770 -2.159 -7.855 1.00 54.53 O ATOM 0 H SER A 35 9.110 -1.137 -6.616 1.00 33.32 H new ATOM 0 HA SER A 35 6.872 0.604 -7.447 1.00 25.51 H new ATOM 0 HB2 SER A 35 6.728 -1.950 -5.808 1.00 44.13 H new ATOM 0 HB3 SER A 35 5.428 -1.147 -6.666 1.00 44.13 H new ATOM 0 HG SER A 35 5.978 -2.687 -8.090 1.00 54.53 H new ATOM 525 N ASN A 36 6.527 1.702 -5.263 1.00 41.21 N ATOM 526 CA ASN A 36 6.387 2.433 -4.009 1.00 14.11 C ATOM 527 C ASN A 36 7.749 2.863 -3.474 1.00 43.23 C ATOM 528 O ASN A 36 7.956 2.942 -2.264 1.00 45.02 O ATOM 529 CB ASN A 36 5.668 1.570 -2.970 1.00 13.44 C ATOM 530 CG ASN A 36 4.160 1.619 -3.121 1.00 74.25 C ATOM 531 OD1 ASN A 36 3.579 0.864 -3.902 1.00 13.05 O ATOM 532 ND2 ASN A 36 3.518 2.510 -2.374 1.00 62.24 N ATOM 0 H ASN A 36 6.039 2.123 -6.053 1.00 41.21 H new ATOM 0 HA ASN A 36 5.794 3.327 -4.203 1.00 14.11 H new ATOM 0 HB2 ASN A 36 6.006 0.538 -3.062 1.00 13.44 H new ATOM 0 HB3 ASN A 36 5.941 1.907 -1.970 1.00 13.44 H new ATOM 0 HD21 ASN A 36 2.503 2.589 -2.434 1.00 62.24 H new ATOM 0 HD22 ASN A 36 4.040 3.115 -1.740 1.00 62.24 H new ATOM 539 N GLY A 37 8.676 3.141 -4.386 1.00 41.14 N ATOM 540 CA GLY A 37 10.007 3.560 -3.988 1.00 10.32 C ATOM 541 C GLY A 37 10.846 4.022 -5.163 1.00 13.31 C ATOM 542 O GLY A 37 11.163 5.205 -5.281 1.00 72.04 O ATOM 0 H GLY A 37 8.529 3.083 -5.394 1.00 41.14 H new ATOM 0 HA2 GLY A 37 9.928 4.369 -3.262 1.00 10.32 H new ATOM 0 HA3 GLY A 37 10.511 2.732 -3.489 1.00 10.32 H new ATOM 546 N GLY A 38 11.208 3.085 -6.034 1.00 53.54 N ATOM 547 CA GLY A 38 12.013 3.422 -7.194 1.00 1.33 C ATOM 548 C GLY A 38 13.461 3.691 -6.835 1.00 42.22 C ATOM 549 O GLY A 38 13.878 4.844 -6.731 1.00 51.41 O ATOM 0 H GLY A 38 10.958 2.099 -5.957 1.00 53.54 H new ATOM 0 HA2 GLY A 38 11.966 2.606 -7.915 1.00 1.33 H new ATOM 0 HA3 GLY A 38 11.593 4.302 -7.681 1.00 1.33 H new ATOM 553 N ALA A 39 14.230 2.624 -6.644 1.00 51.13 N ATOM 554 CA ALA A 39 15.640 2.751 -6.296 1.00 35.54 C ATOM 555 C ALA A 39 16.287 1.381 -6.120 1.00 74.10 C ATOM 556 O ALA A 39 16.411 0.882 -5.002 1.00 24.43 O ATOM 557 CB ALA A 39 15.798 3.577 -5.028 1.00 54.53 C ATOM 0 H ALA A 39 13.900 1.662 -6.724 1.00 51.13 H new ATOM 0 HA ALA A 39 16.147 3.261 -7.115 1.00 35.54 H new ATOM 0 HB1 ALA A 39 16.856 3.664 -4.780 1.00 54.53 H new ATOM 0 HB2 ALA A 39 15.380 4.571 -5.187 1.00 54.53 H new ATOM 0 HB3 ALA A 39 15.272 3.089 -4.208 1.00 54.53 H new ATOM 563 N ASP A 40 16.696 0.778 -7.231 1.00 52.40 N ATOM 564 CA ASP A 40 17.331 -0.534 -7.200 1.00 34.14 C ATOM 565 C ASP A 40 18.840 -0.404 -7.020 1.00 51.54 C ATOM 566 O ASP A 40 19.543 0.073 -7.912 1.00 51.54 O ATOM 567 CB ASP A 40 17.022 -1.304 -8.484 1.00 71.44 C ATOM 568 CG ASP A 40 17.551 -0.604 -9.721 1.00 33.24 C ATOM 569 OD1 ASP A 40 16.873 0.322 -10.214 1.00 60.32 O ATOM 570 OD2 ASP A 40 18.643 -0.981 -10.194 1.00 72.41 O ATOM 0 H ASP A 40 16.599 1.177 -8.165 1.00 52.40 H new ATOM 0 HA ASP A 40 16.929 -1.085 -6.350 1.00 34.14 H new ATOM 0 HB2 ASP A 40 17.458 -2.301 -8.420 1.00 71.44 H new ATOM 0 HB3 ASP A 40 15.944 -1.433 -8.576 1.00 71.44 H new ATOM 575 N LEU A 41 19.332 -0.829 -5.862 1.00 51.01 N ATOM 576 CA LEU A 41 20.758 -0.759 -5.565 1.00 4.12 C ATOM 577 C LEU A 41 21.083 -1.506 -4.275 1.00 62.44 C ATOM 578 O LEU A 41 20.263 -2.269 -3.765 1.00 11.51 O ATOM 579 CB LEU A 41 21.204 0.700 -5.448 1.00 61.32 C ATOM 580 CG LEU A 41 22.559 1.039 -6.070 1.00 40.32 C ATOM 581 CD1 LEU A 41 22.373 1.823 -7.360 1.00 71.23 C ATOM 582 CD2 LEU A 41 23.416 1.823 -5.087 1.00 12.22 C ATOM 0 H LEU A 41 18.764 -1.226 -5.113 1.00 51.01 H new ATOM 0 HA LEU A 41 21.298 -1.233 -6.384 1.00 4.12 H new ATOM 0 HB2 LEU A 41 20.445 1.329 -5.913 1.00 61.32 H new ATOM 0 HB3 LEU A 41 21.235 0.966 -4.391 1.00 61.32 H new ATOM 0 HG LEU A 41 23.072 0.107 -6.306 1.00 40.32 H new ATOM 0 HD11 LEU A 41 23.348 2.055 -7.788 1.00 71.23 H new ATOM 0 HD12 LEU A 41 21.798 1.227 -8.069 1.00 71.23 H new ATOM 0 HD13 LEU A 41 21.839 2.750 -7.149 1.00 71.23 H new ATOM 0 HD21 LEU A 41 24.377 2.056 -5.547 1.00 12.22 H new ATOM 0 HD22 LEU A 41 22.908 2.750 -4.820 1.00 12.22 H new ATOM 0 HD23 LEU A 41 23.578 1.226 -4.189 1.00 12.22 H new ATOM 594 N MET A 42 22.284 -1.281 -3.753 1.00 44.23 N ATOM 595 CA MET A 42 22.716 -1.931 -2.521 1.00 51.42 C ATOM 596 C MET A 42 22.876 -0.912 -1.397 1.00 30.42 C ATOM 597 O MET A 42 23.650 0.037 -1.512 1.00 11.03 O ATOM 598 CB MET A 42 24.035 -2.672 -2.745 1.00 44.14 C ATOM 599 CG MET A 42 24.103 -3.403 -4.076 1.00 70.33 C ATOM 600 SD MET A 42 25.057 -2.505 -5.315 1.00 25.34 S ATOM 601 CE MET A 42 26.675 -3.242 -5.095 1.00 3.45 C ATOM 0 H MET A 42 22.975 -0.654 -4.164 1.00 44.23 H new ATOM 0 HA MET A 42 21.950 -2.650 -2.230 1.00 51.42 H new ATOM 0 HB2 MET A 42 24.857 -1.958 -2.689 1.00 44.14 H new ATOM 0 HB3 MET A 42 24.181 -3.390 -1.938 1.00 44.14 H new ATOM 0 HG2 MET A 42 24.548 -4.386 -3.923 1.00 70.33 H new ATOM 0 HG3 MET A 42 23.092 -3.565 -4.449 1.00 70.33 H new ATOM 0 HE1 MET A 42 27.379 -2.789 -5.793 1.00 3.45 H new ATOM 0 HE2 MET A 42 27.017 -3.072 -4.074 1.00 3.45 H new ATOM 0 HE3 MET A 42 26.615 -4.314 -5.284 1.00 3.45 H new ATOM 611 N GLY A 43 22.138 -1.117 -0.310 1.00 3.35 N ATOM 612 CA GLY A 43 22.213 -0.208 0.819 1.00 2.23 C ATOM 613 C GLY A 43 21.587 -0.787 2.073 1.00 65.14 C ATOM 614 O GLY A 43 22.273 -1.109 3.043 1.00 4.31 O ATOM 0 H GLY A 43 21.490 -1.896 -0.191 1.00 3.35 H new ATOM 0 HA2 GLY A 43 23.257 0.035 1.017 1.00 2.23 H new ATOM 0 HA3 GLY A 43 21.711 0.725 0.564 1.00 2.23 H new ATOM 618 N PRO A 44 20.253 -0.926 2.063 1.00 44.13 N ATOM 619 CA PRO A 44 19.506 -1.470 3.200 1.00 13.43 C ATOM 620 C PRO A 44 19.757 -2.960 3.400 1.00 24.23 C ATOM 621 O PRO A 44 19.828 -3.441 4.531 1.00 64.01 O ATOM 622 CB PRO A 44 18.045 -1.221 2.816 1.00 10.12 C ATOM 623 CG PRO A 44 18.049 -1.164 1.328 1.00 42.44 C ATOM 624 CD PRO A 44 19.372 -0.563 0.940 1.00 22.20 C ATOM 0 HA PRO A 44 19.800 -1.004 4.141 1.00 13.43 H new ATOM 0 HB2 PRO A 44 17.398 -2.020 3.180 1.00 10.12 H new ATOM 0 HB3 PRO A 44 17.675 -0.290 3.247 1.00 10.12 H new ATOM 0 HG2 PRO A 44 17.932 -2.159 0.899 1.00 42.44 H new ATOM 0 HG3 PRO A 44 17.222 -0.558 0.958 1.00 42.44 H new ATOM 0 HD2 PRO A 44 19.736 -0.968 -0.004 1.00 22.20 H new ATOM 0 HD3 PRO A 44 19.302 0.518 0.817 1.00 22.20 H new ATOM 632 N ALA A 45 19.892 -3.686 2.295 1.00 20.44 N ATOM 633 CA ALA A 45 20.138 -5.122 2.350 1.00 5.01 C ATOM 634 C ALA A 45 21.509 -5.421 2.949 1.00 74.31 C ATOM 635 O ALA A 45 21.641 -6.278 3.823 1.00 64.53 O ATOM 636 CB ALA A 45 20.023 -5.731 0.960 1.00 3.54 C ATOM 0 H ALA A 45 19.835 -3.303 1.351 1.00 20.44 H new ATOM 0 HA ALA A 45 19.383 -5.571 2.995 1.00 5.01 H new ATOM 0 HB1 ALA A 45 20.209 -6.804 1.016 1.00 3.54 H new ATOM 0 HB2 ALA A 45 19.021 -5.557 0.568 1.00 3.54 H new ATOM 0 HB3 ALA A 45 20.757 -5.270 0.299 1.00 3.54 H new ATOM 642 N PHE A 46 22.525 -4.710 2.473 1.00 24.30 N ATOM 643 CA PHE A 46 23.886 -4.901 2.961 1.00 63.44 C ATOM 644 C PHE A 46 24.006 -4.476 4.421 1.00 53.40 C ATOM 645 O PHE A 46 24.881 -4.946 5.146 1.00 24.32 O ATOM 646 CB PHE A 46 24.874 -4.107 2.104 1.00 50.24 C ATOM 647 CG PHE A 46 26.313 -4.381 2.437 1.00 74.43 C ATOM 648 CD1 PHE A 46 27.192 -3.339 2.681 1.00 61.03 C ATOM 649 CD2 PHE A 46 26.785 -5.682 2.505 1.00 25.02 C ATOM 650 CE1 PHE A 46 28.517 -3.588 2.988 1.00 74.21 C ATOM 651 CE2 PHE A 46 28.109 -5.937 2.812 1.00 34.33 C ATOM 652 CZ PHE A 46 28.975 -4.889 3.053 1.00 65.23 C ATOM 0 H PHE A 46 22.432 -3.996 1.750 1.00 24.30 H new ATOM 0 HA PHE A 46 24.125 -5.962 2.890 1.00 63.44 H new ATOM 0 HB2 PHE A 46 24.702 -4.342 1.054 1.00 50.24 H new ATOM 0 HB3 PHE A 46 24.677 -3.042 2.229 1.00 50.24 H new ATOM 0 HD1 PHE A 46 26.838 -2.320 2.631 1.00 61.03 H new ATOM 0 HD2 PHE A 46 26.112 -6.505 2.316 1.00 25.02 H new ATOM 0 HE1 PHE A 46 29.192 -2.767 3.177 1.00 74.21 H new ATOM 0 HE2 PHE A 46 28.465 -6.955 2.863 1.00 34.33 H new ATOM 0 HZ PHE A 46 30.009 -5.087 3.292 1.00 65.23 H new ATOM 662 N ALA A 47 23.119 -3.581 4.845 1.00 72.13 N ATOM 663 CA ALA A 47 23.123 -3.092 6.218 1.00 70.41 C ATOM 664 C ALA A 47 22.705 -4.189 7.192 1.00 13.50 C ATOM 665 O ALA A 47 23.187 -4.244 8.323 1.00 64.54 O ATOM 666 CB ALA A 47 22.205 -1.886 6.352 1.00 61.33 C ATOM 0 H ALA A 47 22.388 -3.180 4.257 1.00 72.13 H new ATOM 0 HA ALA A 47 24.140 -2.789 6.467 1.00 70.41 H new ATOM 0 HB1 ALA A 47 22.218 -1.532 7.383 1.00 61.33 H new ATOM 0 HB2 ALA A 47 22.550 -1.091 5.691 1.00 61.33 H new ATOM 0 HB3 ALA A 47 21.189 -2.170 6.079 1.00 61.33 H new ATOM 672 N ALA A 48 21.804 -5.058 6.746 1.00 12.21 N ATOM 673 CA ALA A 48 21.322 -6.153 7.578 1.00 33.13 C ATOM 674 C ALA A 48 22.157 -7.411 7.367 1.00 33.54 C ATOM 675 O ALA A 48 22.198 -8.292 8.226 1.00 51.05 O ATOM 676 CB ALA A 48 19.856 -6.434 7.283 1.00 32.44 C ATOM 0 H ALA A 48 21.393 -5.025 5.813 1.00 12.21 H new ATOM 0 HA ALA A 48 21.420 -5.854 8.622 1.00 33.13 H new ATOM 0 HB1 ALA A 48 19.509 -7.254 7.912 1.00 32.44 H new ATOM 0 HB2 ALA A 48 19.265 -5.542 7.492 1.00 32.44 H new ATOM 0 HB3 ALA A 48 19.742 -6.707 6.234 1.00 32.44 H new ATOM 682 N GLY A 49 22.821 -7.490 6.218 1.00 1.22 N ATOM 683 CA GLY A 49 23.645 -8.645 5.915 1.00 24.12 C ATOM 684 C GLY A 49 22.986 -9.584 4.924 1.00 1.14 C ATOM 685 O GLY A 49 23.404 -10.733 4.774 1.00 35.12 O ATOM 0 H GLY A 49 22.803 -6.774 5.491 1.00 1.22 H new ATOM 0 HA2 GLY A 49 24.601 -8.310 5.513 1.00 24.12 H new ATOM 0 HA3 GLY A 49 23.859 -9.186 6.836 1.00 24.12 H new ATOM 689 N LEU A 50 21.952 -9.096 4.247 1.00 25.15 N ATOM 690 CA LEU A 50 21.232 -9.900 3.266 1.00 22.44 C ATOM 691 C LEU A 50 22.072 -10.107 2.010 1.00 73.03 C ATOM 692 O LEU A 50 22.328 -9.164 1.260 1.00 33.44 O ATOM 693 CB LEU A 50 19.906 -9.230 2.903 1.00 20.10 C ATOM 694 CG LEU A 50 19.098 -8.663 4.071 1.00 24.11 C ATOM 695 CD1 LEU A 50 18.027 -7.709 3.566 1.00 4.21 C ATOM 696 CD2 LEU A 50 18.473 -9.788 4.883 1.00 60.11 C ATOM 0 H LEU A 50 21.594 -8.148 4.360 1.00 25.15 H new ATOM 0 HA LEU A 50 21.029 -10.875 3.709 1.00 22.44 H new ATOM 0 HB2 LEU A 50 20.111 -8.421 2.202 1.00 20.10 H new ATOM 0 HB3 LEU A 50 19.286 -9.957 2.378 1.00 20.10 H new ATOM 0 HG LEU A 50 19.775 -8.106 4.719 1.00 24.11 H new ATOM 0 HD11 LEU A 50 17.462 -7.316 4.411 1.00 4.21 H new ATOM 0 HD12 LEU A 50 18.497 -6.885 3.029 1.00 4.21 H new ATOM 0 HD13 LEU A 50 17.353 -8.241 2.895 1.00 4.21 H new ATOM 0 HD21 LEU A 50 17.902 -9.366 5.710 1.00 60.11 H new ATOM 0 HD22 LEU A 50 17.810 -10.372 4.245 1.00 60.11 H new ATOM 0 HD23 LEU A 50 19.259 -10.433 5.277 1.00 60.11 H new ATOM 708 N ARG A 51 22.495 -11.346 1.785 1.00 64.44 N ATOM 709 CA ARG A 51 23.305 -11.677 0.618 1.00 0.01 C ATOM 710 C ARG A 51 22.927 -13.048 0.064 1.00 13.45 C ATOM 711 O ARG A 51 22.067 -13.736 0.615 1.00 4.15 O ATOM 712 CB ARG A 51 24.791 -11.653 0.979 1.00 24.51 C ATOM 713 CG ARG A 51 25.645 -10.872 -0.006 1.00 62.11 C ATOM 714 CD ARG A 51 27.080 -11.375 -0.020 1.00 44.44 C ATOM 715 NE ARG A 51 27.971 -10.508 0.746 1.00 4.04 N ATOM 716 CZ ARG A 51 28.460 -9.362 0.284 1.00 74.40 C ATOM 717 NH1 ARG A 51 28.144 -8.948 -0.935 1.00 43.42 N ATOM 718 NH2 ARG A 51 29.265 -8.629 1.042 1.00 54.20 N ATOM 0 H ARG A 51 22.291 -12.138 2.395 1.00 64.44 H new ATOM 0 HA ARG A 51 23.112 -10.928 -0.151 1.00 0.01 H new ATOM 0 HB2 ARG A 51 24.908 -11.219 1.972 1.00 24.51 H new ATOM 0 HB3 ARG A 51 25.159 -12.677 1.034 1.00 24.51 H new ATOM 0 HG2 ARG A 51 25.219 -10.957 -1.006 1.00 62.11 H new ATOM 0 HG3 ARG A 51 25.632 -9.814 0.258 1.00 62.11 H new ATOM 0 HD2 ARG A 51 27.115 -12.384 0.391 1.00 44.44 H new ATOM 0 HD3 ARG A 51 27.432 -11.438 -1.050 1.00 44.44 H new ATOM 0 HE ARG A 51 28.233 -10.798 1.688 1.00 4.04 H new ATOM 0 HH11 ARG A 51 27.525 -9.509 -1.520 1.00 43.42 H new ATOM 0 HH12 ARG A 51 28.520 -8.068 -1.288 1.00 43.42 H new ATOM 0 HH21 ARG A 51 29.509 -8.945 1.981 1.00 54.20 H new ATOM 0 HH22 ARG A 51 29.640 -7.750 0.686 1.00 54.20 H new ATOM 732 N VAL A 52 23.574 -13.438 -1.029 1.00 51.31 N ATOM 733 CA VAL A 52 23.306 -14.726 -1.657 1.00 42.13 C ATOM 734 C VAL A 52 23.549 -15.873 -0.683 1.00 71.43 C ATOM 735 O VAL A 52 24.650 -16.035 -0.160 1.00 5.21 O ATOM 736 CB VAL A 52 24.182 -14.934 -2.907 1.00 3.11 C ATOM 737 CG1 VAL A 52 23.773 -13.973 -4.012 1.00 54.25 C ATOM 738 CG2 VAL A 52 25.654 -14.764 -2.560 1.00 33.02 C ATOM 0 H VAL A 52 24.288 -12.880 -1.498 1.00 51.31 H new ATOM 0 HA VAL A 52 22.257 -14.721 -1.954 1.00 42.13 H new ATOM 0 HB VAL A 52 24.032 -15.951 -3.269 1.00 3.11 H new ATOM 0 HG11 VAL A 52 24.403 -14.135 -4.887 1.00 54.25 H new ATOM 0 HG12 VAL A 52 22.731 -14.147 -4.278 1.00 54.25 H new ATOM 0 HG13 VAL A 52 23.892 -12.947 -3.664 1.00 54.25 H new ATOM 0 HG21 VAL A 52 26.258 -14.914 -3.455 1.00 33.02 H new ATOM 0 HG22 VAL A 52 25.823 -13.759 -2.173 1.00 33.02 H new ATOM 0 HG23 VAL A 52 25.937 -15.497 -1.804 1.00 33.02 H new ATOM 748 N GLY A 53 22.511 -16.670 -0.445 1.00 0.44 N ATOM 749 CA GLY A 53 22.632 -17.793 0.466 1.00 11.12 C ATOM 750 C GLY A 53 21.564 -17.785 1.542 1.00 50.31 C ATOM 751 O GLY A 53 21.126 -18.840 1.999 1.00 33.40 O ATOM 0 H GLY A 53 21.589 -16.558 -0.867 1.00 0.44 H new ATOM 0 HA2 GLY A 53 22.568 -18.723 -0.098 1.00 11.12 H new ATOM 0 HA3 GLY A 53 23.616 -17.772 0.935 1.00 11.12 H new ATOM 755 N ASP A 54 21.145 -16.591 1.948 1.00 23.33 N ATOM 756 CA ASP A 54 20.122 -16.450 2.978 1.00 43.21 C ATOM 757 C ASP A 54 18.747 -16.818 2.431 1.00 34.55 C ATOM 758 O ASP A 54 18.303 -16.272 1.422 1.00 1.21 O ATOM 759 CB ASP A 54 20.104 -15.018 3.516 1.00 62.04 C ATOM 760 CG ASP A 54 20.641 -14.924 4.930 1.00 33.15 C ATOM 761 OD1 ASP A 54 19.850 -14.612 5.846 1.00 60.52 O ATOM 762 OD2 ASP A 54 21.851 -15.163 5.123 1.00 61.23 O ATOM 0 H ASP A 54 21.498 -15.708 1.580 1.00 23.33 H new ATOM 0 HA ASP A 54 20.364 -17.133 3.792 1.00 43.21 H new ATOM 0 HB2 ASP A 54 20.698 -14.380 2.862 1.00 62.04 H new ATOM 0 HB3 ASP A 54 19.083 -14.637 3.492 1.00 62.04 H new ATOM 767 N GLN A 55 18.078 -17.749 3.105 1.00 60.23 N ATOM 768 CA GLN A 55 16.754 -18.192 2.685 1.00 53.32 C ATOM 769 C GLN A 55 15.668 -17.299 3.277 1.00 42.34 C ATOM 770 O GLN A 55 15.760 -16.872 4.428 1.00 21.05 O ATOM 771 CB GLN A 55 16.521 -19.644 3.105 1.00 21.01 C ATOM 772 CG GLN A 55 17.698 -20.559 2.808 1.00 72.32 C ATOM 773 CD GLN A 55 17.504 -21.957 3.361 1.00 21.40 C ATOM 774 OE1 GLN A 55 18.410 -22.527 3.971 1.00 74.35 O ATOM 775 NE2 GLN A 55 16.319 -22.518 3.151 1.00 31.33 N ATOM 0 H GLN A 55 18.431 -18.210 3.943 1.00 60.23 H new ATOM 0 HA GLN A 55 16.704 -18.123 1.598 1.00 53.32 H new ATOM 0 HB2 GLN A 55 16.308 -19.675 4.174 1.00 21.01 H new ATOM 0 HB3 GLN A 55 15.637 -20.024 2.593 1.00 21.01 H new ATOM 0 HG2 GLN A 55 17.846 -20.616 1.730 1.00 72.32 H new ATOM 0 HG3 GLN A 55 18.605 -20.127 3.232 1.00 72.32 H new ATOM 0 HE21 GLN A 55 15.597 -22.009 2.640 1.00 31.33 H new ATOM 0 HE22 GLN A 55 16.130 -23.458 3.500 1.00 31.33 H new ATOM 784 N LEU A 56 14.641 -17.019 2.482 1.00 0.01 N ATOM 785 CA LEU A 56 13.537 -16.176 2.927 1.00 11.31 C ATOM 786 C LEU A 56 12.233 -16.965 2.973 1.00 73.43 C ATOM 787 O LEU A 56 11.783 -17.500 1.959 1.00 32.43 O ATOM 788 CB LEU A 56 13.384 -14.970 1.999 1.00 40.33 C ATOM 789 CG LEU A 56 14.540 -13.969 2.002 1.00 24.21 C ATOM 790 CD1 LEU A 56 15.696 -14.486 1.159 1.00 31.03 C ATOM 791 CD2 LEU A 56 14.073 -12.612 1.495 1.00 22.53 C ATOM 0 H LEU A 56 14.550 -17.363 1.526 1.00 0.01 H new ATOM 0 HA LEU A 56 13.764 -15.826 3.934 1.00 11.31 H new ATOM 0 HB2 LEU A 56 13.249 -15.335 0.981 1.00 40.33 H new ATOM 0 HB3 LEU A 56 12.471 -14.441 2.272 1.00 40.33 H new ATOM 0 HG LEU A 56 14.889 -13.850 3.028 1.00 24.21 H new ATOM 0 HD11 LEU A 56 16.509 -13.761 1.173 1.00 31.03 H new ATOM 0 HD12 LEU A 56 16.048 -15.434 1.566 1.00 31.03 H new ATOM 0 HD13 LEU A 56 15.360 -14.635 0.133 1.00 31.03 H new ATOM 0 HD21 LEU A 56 14.909 -11.913 1.504 1.00 22.53 H new ATOM 0 HD22 LEU A 56 13.696 -12.714 0.477 1.00 22.53 H new ATOM 0 HD23 LEU A 56 13.279 -12.236 2.140 1.00 22.53 H new ATOM 803 N VAL A 57 11.628 -17.032 4.155 1.00 64.42 N ATOM 804 CA VAL A 57 10.374 -17.754 4.332 1.00 13.52 C ATOM 805 C VAL A 57 9.261 -16.816 4.787 1.00 32.33 C ATOM 806 O VAL A 57 8.130 -16.899 4.306 1.00 5.23 O ATOM 807 CB VAL A 57 10.522 -18.893 5.358 1.00 75.23 C ATOM 808 CG1 VAL A 57 11.068 -18.360 6.673 1.00 20.34 C ATOM 809 CG2 VAL A 57 9.189 -19.595 5.570 1.00 55.23 C ATOM 0 H VAL A 57 11.986 -16.595 5.004 1.00 64.42 H new ATOM 0 HA VAL A 57 10.114 -18.180 3.363 1.00 13.52 H new ATOM 0 HB VAL A 57 11.232 -19.621 4.966 1.00 75.23 H new ATOM 0 HG11 VAL A 57 11.166 -19.179 7.385 1.00 20.34 H new ATOM 0 HG12 VAL A 57 12.045 -17.907 6.504 1.00 20.34 H new ATOM 0 HG13 VAL A 57 10.385 -17.611 7.073 1.00 20.34 H new ATOM 0 HG21 VAL A 57 9.312 -20.397 6.298 1.00 55.23 H new ATOM 0 HG22 VAL A 57 8.455 -18.879 5.940 1.00 55.23 H new ATOM 0 HG23 VAL A 57 8.843 -20.013 4.624 1.00 55.23 H new ATOM 819 N ARG A 58 9.589 -15.925 5.717 1.00 55.00 N ATOM 820 CA ARG A 58 8.616 -14.972 6.238 1.00 2.30 C ATOM 821 C ARG A 58 7.348 -15.685 6.697 1.00 12.01 C ATOM 822 O ARG A 58 6.253 -15.124 6.642 1.00 21.22 O ATOM 823 CB ARG A 58 8.271 -13.929 5.173 1.00 72.41 C ATOM 824 CG ARG A 58 7.688 -12.646 5.743 1.00 63.33 C ATOM 825 CD ARG A 58 8.689 -11.929 6.635 1.00 15.34 C ATOM 826 NE ARG A 58 8.177 -11.742 7.991 1.00 64.53 N ATOM 827 CZ ARG A 58 7.203 -10.894 8.299 1.00 51.14 C ATOM 828 NH1 ARG A 58 6.637 -10.158 7.352 1.00 11.32 N ATOM 829 NH2 ARG A 58 6.792 -10.781 9.555 1.00 4.23 N ATOM 0 H ARG A 58 10.520 -15.843 6.125 1.00 55.00 H new ATOM 0 HA ARG A 58 9.061 -14.470 7.097 1.00 2.30 H new ATOM 0 HB2 ARG A 58 9.171 -13.689 4.607 1.00 72.41 H new ATOM 0 HB3 ARG A 58 7.558 -14.361 4.471 1.00 72.41 H new ATOM 0 HG2 ARG A 58 7.388 -11.987 4.928 1.00 63.33 H new ATOM 0 HG3 ARG A 58 6.789 -12.876 6.314 1.00 63.33 H new ATOM 0 HD2 ARG A 58 9.616 -12.501 6.673 1.00 15.34 H new ATOM 0 HD3 ARG A 58 8.931 -10.959 6.202 1.00 15.34 H new ATOM 0 HE ARG A 58 8.591 -12.294 8.743 1.00 64.53 H new ATOM 0 HH11 ARG A 58 6.950 -10.243 6.385 1.00 11.32 H new ATOM 0 HH12 ARG A 58 5.889 -9.507 7.591 1.00 11.32 H new ATOM 0 HH21 ARG A 58 7.224 -11.346 10.286 1.00 4.23 H new ATOM 0 HH22 ARG A 58 6.044 -10.129 9.790 1.00 4.23 H new ATOM 843 N PHE A 59 7.503 -16.925 7.149 1.00 1.14 N ATOM 844 CA PHE A 59 6.371 -17.716 7.617 1.00 55.33 C ATOM 845 C PHE A 59 6.744 -18.518 8.860 1.00 74.55 C ATOM 846 O PHE A 59 7.854 -19.039 8.965 1.00 34.20 O ATOM 847 CB PHE A 59 5.889 -18.659 6.512 1.00 44.20 C ATOM 848 CG PHE A 59 5.245 -17.949 5.356 1.00 41.50 C ATOM 849 CD1 PHE A 59 4.292 -16.967 5.573 1.00 0.42 C ATOM 850 CD2 PHE A 59 5.592 -18.263 4.052 1.00 61.30 C ATOM 851 CE1 PHE A 59 3.697 -16.311 4.512 1.00 43.23 C ATOM 852 CE2 PHE A 59 5.001 -17.611 2.987 1.00 42.34 C ATOM 853 CZ PHE A 59 4.052 -16.634 3.217 1.00 72.23 C ATOM 0 H PHE A 59 8.402 -17.404 7.201 1.00 1.14 H new ATOM 0 HA PHE A 59 5.564 -17.031 7.878 1.00 55.33 H new ATOM 0 HB2 PHE A 59 6.736 -19.239 6.145 1.00 44.20 H new ATOM 0 HB3 PHE A 59 5.177 -19.367 6.935 1.00 44.20 H new ATOM 0 HD1 PHE A 59 4.011 -16.711 6.584 1.00 0.42 H new ATOM 0 HD2 PHE A 59 6.333 -19.026 3.866 1.00 61.30 H new ATOM 0 HE1 PHE A 59 2.956 -15.547 4.695 1.00 43.23 H new ATOM 0 HE2 PHE A 59 5.281 -17.865 1.975 1.00 42.34 H new ATOM 0 HZ PHE A 59 3.588 -16.124 2.386 1.00 72.23 H new ATOM 863 N ALA A 60 5.808 -18.613 9.798 1.00 33.14 N ATOM 864 CA ALA A 60 6.037 -19.353 11.033 1.00 14.13 C ATOM 865 C ALA A 60 6.052 -20.856 10.778 1.00 73.21 C ATOM 866 O ALA A 60 5.021 -21.454 10.473 1.00 72.31 O ATOM 867 CB ALA A 60 4.974 -19.001 12.064 1.00 71.32 C ATOM 0 H ALA A 60 4.884 -18.187 9.727 1.00 33.14 H new ATOM 0 HA ALA A 60 7.014 -19.068 11.423 1.00 14.13 H new ATOM 0 HB1 ALA A 60 5.157 -19.561 12.981 1.00 71.32 H new ATOM 0 HB2 ALA A 60 5.013 -17.933 12.277 1.00 71.32 H new ATOM 0 HB3 ALA A 60 3.989 -19.257 11.673 1.00 71.32 H new ATOM 873 N GLY A 61 7.229 -21.462 10.904 1.00 52.30 N ATOM 874 CA GLY A 61 7.356 -22.890 10.682 1.00 33.33 C ATOM 875 C GLY A 61 8.465 -23.229 9.707 1.00 60.34 C ATOM 876 O GLY A 61 8.675 -24.397 9.376 1.00 51.53 O ATOM 0 H GLY A 61 8.097 -20.989 11.156 1.00 52.30 H new ATOM 0 HA2 GLY A 61 7.548 -23.387 11.633 1.00 33.33 H new ATOM 0 HA3 GLY A 61 6.412 -23.281 10.303 1.00 33.33 H new ATOM 880 N TYR A 62 9.176 -22.207 9.244 1.00 60.45 N ATOM 881 CA TYR A 62 10.267 -22.402 8.296 1.00 23.43 C ATOM 882 C TYR A 62 9.762 -23.046 7.009 1.00 65.53 C ATOM 883 O TYR A 62 10.436 -23.891 6.417 1.00 54.25 O ATOM 884 CB TYR A 62 11.362 -23.271 8.919 1.00 51.40 C ATOM 885 CG TYR A 62 11.515 -23.075 10.410 1.00 3.43 C ATOM 886 CD1 TYR A 62 11.515 -24.161 11.277 1.00 12.41 C ATOM 887 CD2 TYR A 62 11.660 -21.804 10.953 1.00 53.32 C ATOM 888 CE1 TYR A 62 11.654 -23.986 12.641 1.00 71.45 C ATOM 889 CE2 TYR A 62 11.801 -21.620 12.315 1.00 71.24 C ATOM 890 CZ TYR A 62 11.797 -22.714 13.154 1.00 22.43 C ATOM 891 OH TYR A 62 11.936 -22.536 14.512 1.00 42.33 O ATOM 0 H TYR A 62 9.017 -21.235 9.510 1.00 60.45 H new ATOM 0 HA TYR A 62 10.682 -21.424 8.052 1.00 23.43 H new ATOM 0 HB2 TYR A 62 11.140 -24.319 8.720 1.00 51.40 H new ATOM 0 HB3 TYR A 62 12.312 -23.049 8.432 1.00 51.40 H new ATOM 0 HD1 TYR A 62 11.405 -25.159 10.878 1.00 12.41 H new ATOM 0 HD2 TYR A 62 11.663 -20.945 10.299 1.00 53.32 H new ATOM 0 HE1 TYR A 62 11.651 -24.841 13.301 1.00 71.45 H new ATOM 0 HE2 TYR A 62 11.914 -20.625 12.720 1.00 71.24 H new ATOM 0 HH TYR A 62 12.377 -23.320 14.901 1.00 42.33 H new ATOM 901 N THR A 63 8.571 -22.641 6.579 1.00 23.25 N ATOM 902 CA THR A 63 7.974 -23.177 5.363 1.00 61.50 C ATOM 903 C THR A 63 7.525 -22.058 4.431 1.00 44.21 C ATOM 904 O THR A 63 6.839 -21.126 4.850 1.00 51.45 O ATOM 905 CB THR A 63 6.767 -24.080 5.680 1.00 23.55 C ATOM 906 OG1 THR A 63 6.110 -24.464 4.468 1.00 61.35 O ATOM 907 CG2 THR A 63 5.782 -23.366 6.593 1.00 51.21 C ATOM 0 H THR A 63 8.001 -21.943 7.056 1.00 23.25 H new ATOM 0 HA THR A 63 8.743 -23.771 4.869 1.00 61.50 H new ATOM 0 HB THR A 63 7.132 -24.970 6.192 1.00 23.55 H new ATOM 0 HG1 THR A 63 5.345 -25.039 4.679 1.00 61.35 H new ATOM 0 HG21 THR A 63 4.938 -24.023 6.803 1.00 51.21 H new ATOM 0 HG22 THR A 63 6.277 -23.102 7.527 1.00 51.21 H new ATOM 0 HG23 THR A 63 5.423 -22.460 6.104 1.00 51.21 H new ATOM 915 N VAL A 64 7.917 -22.156 3.164 1.00 13.23 N ATOM 916 CA VAL A 64 7.553 -21.152 2.172 1.00 52.31 C ATOM 917 C VAL A 64 7.120 -21.804 0.864 1.00 40.35 C ATOM 918 O VAL A 64 7.510 -22.932 0.560 1.00 54.22 O ATOM 919 CB VAL A 64 8.723 -20.190 1.891 1.00 30.21 C ATOM 920 CG1 VAL A 64 9.826 -20.901 1.122 1.00 72.42 C ATOM 921 CG2 VAL A 64 8.235 -18.966 1.131 1.00 64.11 C ATOM 0 H VAL A 64 8.486 -22.920 2.801 1.00 13.23 H new ATOM 0 HA VAL A 64 6.719 -20.586 2.586 1.00 52.31 H new ATOM 0 HB VAL A 64 9.134 -19.857 2.844 1.00 30.21 H new ATOM 0 HG11 VAL A 64 10.644 -20.206 0.933 1.00 72.42 H new ATOM 0 HG12 VAL A 64 10.194 -21.743 1.708 1.00 72.42 H new ATOM 0 HG13 VAL A 64 9.432 -21.265 0.173 1.00 72.42 H new ATOM 0 HG21 VAL A 64 9.074 -18.297 0.941 1.00 64.11 H new ATOM 0 HG22 VAL A 64 7.797 -19.277 0.183 1.00 64.11 H new ATOM 0 HG23 VAL A 64 7.483 -18.445 1.724 1.00 64.11 H new ATOM 931 N THR A 65 6.311 -21.086 0.090 1.00 2.00 N ATOM 932 CA THR A 65 5.824 -21.594 -1.186 1.00 63.31 C ATOM 933 C THR A 65 6.891 -21.476 -2.268 1.00 65.42 C ATOM 934 O THR A 65 7.502 -22.470 -2.660 1.00 63.04 O ATOM 935 CB THR A 65 4.560 -20.843 -1.644 1.00 72.42 C ATOM 936 OG1 THR A 65 3.512 -21.016 -0.683 1.00 43.02 O ATOM 937 CG2 THR A 65 4.095 -21.344 -3.003 1.00 65.44 C ATOM 0 H THR A 65 5.980 -20.151 0.325 1.00 2.00 H new ATOM 0 HA THR A 65 5.578 -22.645 -1.035 1.00 63.31 H new ATOM 0 HB THR A 65 4.804 -19.784 -1.729 1.00 72.42 H new ATOM 0 HG1 THR A 65 2.712 -20.534 -0.981 1.00 43.02 H new ATOM 0 HG21 THR A 65 3.201 -20.799 -3.305 1.00 65.44 H new ATOM 0 HG22 THR A 65 4.883 -21.185 -3.739 1.00 65.44 H new ATOM 0 HG23 THR A 65 3.867 -22.408 -2.940 1.00 65.44 H new ATOM 945 N GLU A 66 7.111 -20.255 -2.746 1.00 60.50 N ATOM 946 CA GLU A 66 8.106 -20.009 -3.784 1.00 34.43 C ATOM 947 C GLU A 66 8.254 -18.514 -4.052 1.00 33.53 C ATOM 948 O GLU A 66 7.729 -17.684 -3.309 1.00 55.21 O ATOM 949 CB GLU A 66 7.718 -20.734 -5.074 1.00 64.34 C ATOM 950 CG GLU A 66 6.499 -20.143 -5.762 1.00 62.31 C ATOM 951 CD GLU A 66 5.506 -21.202 -6.200 1.00 61.22 C ATOM 952 OE1 GLU A 66 4.889 -21.028 -7.272 1.00 33.31 O ATOM 953 OE2 GLU A 66 5.346 -22.204 -5.472 1.00 40.21 O ATOM 0 H GLU A 66 6.614 -19.422 -2.431 1.00 60.50 H new ATOM 0 HA GLU A 66 9.064 -20.394 -3.433 1.00 34.43 H new ATOM 0 HB2 GLU A 66 8.562 -20.708 -5.763 1.00 64.34 H new ATOM 0 HB3 GLU A 66 7.524 -21.782 -4.847 1.00 64.34 H new ATOM 0 HG2 GLU A 66 6.006 -19.446 -5.084 1.00 62.31 H new ATOM 0 HG3 GLU A 66 6.820 -19.569 -6.631 1.00 62.31 H new ATOM 960 N LEU A 67 8.973 -18.179 -5.117 1.00 73.12 N ATOM 961 CA LEU A 67 9.191 -16.784 -5.484 1.00 64.35 C ATOM 962 C LEU A 67 7.866 -16.038 -5.602 1.00 44.02 C ATOM 963 O LEU A 67 7.780 -14.853 -5.283 1.00 12.32 O ATOM 964 CB LEU A 67 9.957 -16.698 -6.806 1.00 23.42 C ATOM 965 CG LEU A 67 9.321 -17.413 -7.998 1.00 71.42 C ATOM 966 CD1 LEU A 67 8.390 -16.474 -8.749 1.00 44.14 C ATOM 967 CD2 LEU A 67 10.395 -17.959 -8.928 1.00 32.41 C ATOM 0 H LEU A 67 9.415 -18.854 -5.742 1.00 73.12 H new ATOM 0 HA LEU A 67 9.782 -16.315 -4.697 1.00 64.35 H new ATOM 0 HB2 LEU A 67 10.081 -15.646 -7.063 1.00 23.42 H new ATOM 0 HB3 LEU A 67 10.955 -17.108 -6.652 1.00 23.42 H new ATOM 0 HG LEU A 67 8.733 -18.251 -7.623 1.00 71.42 H new ATOM 0 HD11 LEU A 67 7.947 -17.000 -9.594 1.00 44.14 H new ATOM 0 HD12 LEU A 67 7.601 -16.132 -8.080 1.00 44.14 H new ATOM 0 HD13 LEU A 67 8.955 -15.615 -9.112 1.00 44.14 H new ATOM 0 HD21 LEU A 67 9.924 -18.465 -9.771 1.00 32.41 H new ATOM 0 HD22 LEU A 67 11.010 -17.138 -9.295 1.00 32.41 H new ATOM 0 HD23 LEU A 67 11.022 -18.666 -8.385 1.00 32.41 H new ATOM 979 N ALA A 68 6.836 -16.741 -6.061 1.00 11.12 N ATOM 980 CA ALA A 68 5.514 -16.146 -6.216 1.00 63.24 C ATOM 981 C ALA A 68 5.008 -15.580 -4.894 1.00 41.42 C ATOM 982 O ALA A 68 4.465 -14.477 -4.848 1.00 54.53 O ATOM 983 CB ALA A 68 4.534 -17.174 -6.762 1.00 40.02 C ATOM 0 H ALA A 68 6.891 -17.723 -6.332 1.00 11.12 H new ATOM 0 HA ALA A 68 5.594 -15.323 -6.926 1.00 63.24 H new ATOM 0 HB1 ALA A 68 3.551 -16.716 -6.873 1.00 40.02 H new ATOM 0 HB2 ALA A 68 4.881 -17.528 -7.733 1.00 40.02 H new ATOM 0 HB3 ALA A 68 4.467 -18.015 -6.072 1.00 40.02 H new ATOM 989 N ALA A 69 5.190 -16.342 -3.821 1.00 34.01 N ATOM 990 CA ALA A 69 4.752 -15.915 -2.498 1.00 4.13 C ATOM 991 C ALA A 69 5.587 -14.741 -1.996 1.00 20.51 C ATOM 992 O ALA A 69 5.082 -13.859 -1.302 1.00 33.24 O ATOM 993 CB ALA A 69 4.827 -17.076 -1.517 1.00 0.31 C ATOM 0 H ALA A 69 5.638 -17.258 -3.842 1.00 34.01 H new ATOM 0 HA ALA A 69 3.716 -15.584 -2.574 1.00 4.13 H new ATOM 0 HB1 ALA A 69 4.497 -16.743 -0.533 1.00 0.31 H new ATOM 0 HB2 ALA A 69 4.183 -17.885 -1.861 1.00 0.31 H new ATOM 0 HB3 ALA A 69 5.855 -17.433 -1.453 1.00 0.31 H new ATOM 999 N PHE A 70 6.868 -14.738 -2.351 1.00 14.40 N ATOM 1000 CA PHE A 70 7.773 -13.673 -1.935 1.00 1.10 C ATOM 1001 C PHE A 70 7.304 -12.321 -2.466 1.00 70.51 C ATOM 1002 O PHE A 70 7.560 -11.282 -1.860 1.00 51.13 O ATOM 1003 CB PHE A 70 9.193 -13.961 -2.426 1.00 22.41 C ATOM 1004 CG PHE A 70 10.223 -13.021 -1.867 1.00 61.45 C ATOM 1005 CD1 PHE A 70 10.359 -12.856 -0.499 1.00 4.13 C ATOM 1006 CD2 PHE A 70 11.054 -12.303 -2.712 1.00 4.24 C ATOM 1007 CE1 PHE A 70 11.306 -11.992 0.019 1.00 44.04 C ATOM 1008 CE2 PHE A 70 12.003 -11.438 -2.200 1.00 44.12 C ATOM 1009 CZ PHE A 70 12.129 -11.281 -0.834 1.00 33.34 C ATOM 0 H PHE A 70 7.302 -15.461 -2.925 1.00 14.40 H new ATOM 0 HA PHE A 70 7.773 -13.635 -0.846 1.00 1.10 H new ATOM 0 HB2 PHE A 70 9.461 -14.983 -2.157 1.00 22.41 H new ATOM 0 HB3 PHE A 70 9.212 -13.902 -3.514 1.00 22.41 H new ATOM 0 HD1 PHE A 70 9.718 -13.409 0.171 1.00 4.13 H new ATOM 0 HD2 PHE A 70 10.959 -12.420 -3.781 1.00 4.24 H new ATOM 0 HE1 PHE A 70 11.402 -11.873 1.088 1.00 44.04 H new ATOM 0 HE2 PHE A 70 12.646 -10.885 -2.869 1.00 44.12 H new ATOM 0 HZ PHE A 70 12.869 -10.604 -0.433 1.00 33.34 H new ATOM 1019 N ASN A 71 6.616 -12.346 -3.603 1.00 51.30 N ATOM 1020 CA ASN A 71 6.112 -11.123 -4.217 1.00 54.04 C ATOM 1021 C ASN A 71 5.052 -10.468 -3.336 1.00 62.31 C ATOM 1022 O ASN A 71 4.966 -9.242 -3.255 1.00 61.42 O ATOM 1023 CB ASN A 71 5.526 -11.425 -5.598 1.00 65.24 C ATOM 1024 CG ASN A 71 5.829 -10.333 -6.606 1.00 15.20 C ATOM 1025 OD1 ASN A 71 5.044 -9.400 -6.781 1.00 71.42 O ATOM 1026 ND2 ASN A 71 6.971 -10.444 -7.274 1.00 54.13 N ATOM 0 H ASN A 71 6.395 -13.199 -4.117 1.00 51.30 H new ATOM 0 HA ASN A 71 6.947 -10.431 -4.326 1.00 54.04 H new ATOM 0 HB2 ASN A 71 5.927 -12.372 -5.961 1.00 65.24 H new ATOM 0 HB3 ASN A 71 4.446 -11.548 -5.513 1.00 65.24 H new ATOM 0 HD21 ASN A 71 7.228 -9.739 -7.965 1.00 54.13 H new ATOM 0 HD22 ASN A 71 7.591 -11.234 -7.096 1.00 54.13 H new ATOM 1033 N THR A 72 4.247 -11.294 -2.676 1.00 34.44 N ATOM 1034 CA THR A 72 3.193 -10.797 -1.801 1.00 14.14 C ATOM 1035 C THR A 72 3.777 -10.123 -0.564 1.00 73.41 C ATOM 1036 O THR A 72 3.357 -9.031 -0.183 1.00 53.42 O ATOM 1037 CB THR A 72 2.249 -11.931 -1.356 1.00 45.13 C ATOM 1038 OG1 THR A 72 2.174 -12.933 -2.376 1.00 73.03 O ATOM 1039 CG2 THR A 72 0.857 -11.393 -1.062 1.00 42.14 C ATOM 0 H THR A 72 4.305 -12.311 -2.731 1.00 34.44 H new ATOM 0 HA THR A 72 2.625 -10.066 -2.376 1.00 14.14 H new ATOM 0 HB THR A 72 2.650 -12.371 -0.443 1.00 45.13 H new ATOM 0 HG1 THR A 72 1.574 -13.651 -2.086 1.00 73.03 H new ATOM 0 HG21 THR A 72 0.209 -12.212 -0.750 1.00 42.14 H new ATOM 0 HG22 THR A 72 0.914 -10.652 -0.265 1.00 42.14 H new ATOM 0 HG23 THR A 72 0.449 -10.929 -1.960 1.00 42.14 H new ATOM 1047 N VAL A 73 4.749 -10.782 0.059 1.00 14.24 N ATOM 1048 CA VAL A 73 5.392 -10.245 1.253 1.00 62.34 C ATOM 1049 C VAL A 73 6.249 -9.030 0.916 1.00 53.03 C ATOM 1050 O VAL A 73 6.273 -8.049 1.659 1.00 5.01 O ATOM 1051 CB VAL A 73 6.273 -11.306 1.940 1.00 13.42 C ATOM 1052 CG1 VAL A 73 5.415 -12.427 2.505 1.00 31.44 C ATOM 1053 CG2 VAL A 73 7.306 -11.852 0.967 1.00 61.13 C ATOM 0 H VAL A 73 5.108 -11.688 -0.243 1.00 14.24 H new ATOM 0 HA VAL A 73 4.596 -9.947 1.935 1.00 62.34 H new ATOM 0 HB VAL A 73 6.802 -10.834 2.768 1.00 13.42 H new ATOM 0 HG11 VAL A 73 6.054 -13.167 2.986 1.00 31.44 H new ATOM 0 HG12 VAL A 73 4.718 -12.018 3.237 1.00 31.44 H new ATOM 0 HG13 VAL A 73 4.857 -12.900 1.697 1.00 31.44 H new ATOM 0 HG21 VAL A 73 7.919 -12.600 1.469 1.00 61.13 H new ATOM 0 HG22 VAL A 73 6.799 -12.309 0.117 1.00 61.13 H new ATOM 0 HG23 VAL A 73 7.941 -11.039 0.616 1.00 61.13 H new ATOM 1063 N VAL A 74 6.951 -9.101 -0.211 1.00 34.41 N ATOM 1064 CA VAL A 74 7.808 -8.006 -0.648 1.00 70.23 C ATOM 1065 C VAL A 74 7.008 -6.721 -0.830 1.00 62.24 C ATOM 1066 O VAL A 74 7.489 -5.630 -0.524 1.00 74.42 O ATOM 1067 CB VAL A 74 8.521 -8.346 -1.970 1.00 45.44 C ATOM 1068 CG1 VAL A 74 9.053 -7.082 -2.630 1.00 75.24 C ATOM 1069 CG2 VAL A 74 9.644 -9.343 -1.729 1.00 23.13 C ATOM 0 H VAL A 74 6.943 -9.906 -0.838 1.00 34.41 H new ATOM 0 HA VAL A 74 8.555 -7.857 0.132 1.00 70.23 H new ATOM 0 HB VAL A 74 7.798 -8.804 -2.645 1.00 45.44 H new ATOM 0 HG11 VAL A 74 9.554 -7.342 -3.563 1.00 75.24 H new ATOM 0 HG12 VAL A 74 8.225 -6.405 -2.839 1.00 75.24 H new ATOM 0 HG13 VAL A 74 9.762 -6.593 -1.962 1.00 75.24 H new ATOM 0 HG21 VAL A 74 10.137 -9.572 -2.674 1.00 23.13 H new ATOM 0 HG22 VAL A 74 10.369 -8.915 -1.036 1.00 23.13 H new ATOM 0 HG23 VAL A 74 9.233 -10.258 -1.303 1.00 23.13 H new ATOM 1079 N ALA A 75 5.785 -6.858 -1.331 1.00 34.14 N ATOM 1080 CA ALA A 75 4.916 -5.708 -1.551 1.00 64.33 C ATOM 1081 C ALA A 75 4.599 -5.000 -0.239 1.00 2.04 C ATOM 1082 O ALA A 75 4.630 -3.772 -0.162 1.00 52.41 O ATOM 1083 CB ALA A 75 3.632 -6.141 -2.243 1.00 64.51 C ATOM 0 H ALA A 75 5.373 -7.754 -1.592 1.00 34.14 H new ATOM 0 HA ALA A 75 5.443 -5.004 -2.195 1.00 64.33 H new ATOM 0 HB1 ALA A 75 2.993 -5.272 -2.401 1.00 64.51 H new ATOM 0 HB2 ALA A 75 3.872 -6.594 -3.205 1.00 64.51 H new ATOM 0 HB3 ALA A 75 3.110 -6.867 -1.620 1.00 64.51 H new ATOM 1089 N ARG A 76 4.294 -5.782 0.792 1.00 62.03 N ATOM 1090 CA ARG A 76 3.969 -5.229 2.101 1.00 44.21 C ATOM 1091 C ARG A 76 5.238 -4.857 2.864 1.00 35.40 C ATOM 1092 O ARG A 76 5.197 -4.069 3.809 1.00 25.24 O ATOM 1093 CB ARG A 76 3.148 -6.232 2.913 1.00 63.32 C ATOM 1094 CG ARG A 76 1.702 -6.344 2.459 1.00 31.22 C ATOM 1095 CD ARG A 76 1.554 -7.322 1.304 1.00 45.43 C ATOM 1096 NE ARG A 76 0.157 -7.513 0.924 1.00 64.41 N ATOM 1097 CZ ARG A 76 -0.225 -7.977 -0.261 1.00 31.24 C ATOM 1098 NH1 ARG A 76 0.680 -8.295 -1.176 1.00 22.44 N ATOM 1099 NH2 ARG A 76 -1.516 -8.124 -0.532 1.00 23.13 N ATOM 0 H ARG A 76 4.265 -6.801 0.746 1.00 62.03 H new ATOM 0 HA ARG A 76 3.378 -4.325 1.950 1.00 44.21 H new ATOM 0 HB2 ARG A 76 3.618 -7.213 2.845 1.00 63.32 H new ATOM 0 HB3 ARG A 76 3.169 -5.940 3.963 1.00 63.32 H new ATOM 0 HG2 ARG A 76 1.082 -6.669 3.294 1.00 31.22 H new ATOM 0 HG3 ARG A 76 1.338 -5.363 2.155 1.00 31.22 H new ATOM 0 HD2 ARG A 76 2.117 -6.956 0.445 1.00 45.43 H new ATOM 0 HD3 ARG A 76 1.988 -8.282 1.584 1.00 45.43 H new ATOM 0 HE ARG A 76 -0.565 -7.277 1.605 1.00 64.41 H new ATOM 0 HH11 ARG A 76 1.673 -8.184 -0.971 1.00 22.44 H new ATOM 0 HH12 ARG A 76 0.383 -8.651 -2.085 1.00 22.44 H new ATOM 0 HH21 ARG A 76 -2.215 -7.881 0.170 1.00 23.13 H new ATOM 0 HH22 ARG A 76 -1.809 -8.480 -1.442 1.00 23.13 H new ATOM 1113 N HIS A 77 6.362 -5.431 2.448 1.00 41.25 N ATOM 1114 CA HIS A 77 7.642 -5.160 3.092 1.00 44.03 C ATOM 1115 C HIS A 77 8.234 -3.845 2.594 1.00 53.34 C ATOM 1116 O HIS A 77 8.576 -2.967 3.386 1.00 44.22 O ATOM 1117 CB HIS A 77 8.622 -6.305 2.829 1.00 14.42 C ATOM 1118 CG HIS A 77 9.959 -6.109 3.475 1.00 34.11 C ATOM 1119 ND1 HIS A 77 10.368 -5.222 4.412 1.00 1.35 N flip ATOM 1120 CD2 HIS A 77 11.061 -6.880 3.171 1.00 32.55 C flip ATOM 1121 CE1 HIS A 77 11.696 -5.472 4.656 1.00 1.33 C flip ATOM 1122 NE2 HIS A 77 12.090 -6.477 3.895 1.00 10.35 N flip ATOM 0 H HIS A 77 6.412 -6.086 1.668 1.00 41.25 H new ATOM 0 HA HIS A 77 7.470 -5.077 4.165 1.00 44.03 H new ATOM 0 HB2 HIS A 77 8.186 -7.236 3.191 1.00 14.42 H new ATOM 0 HB3 HIS A 77 8.760 -6.415 1.753 1.00 14.42 H new ATOM 0 HD1 HIS A 77 9.796 -4.502 4.854 1.00 1.35 H new ATOM 0 HD2 HIS A 77 11.080 -7.687 2.453 1.00 32.55 H new ATOM 0 HE1 HIS A 77 12.317 -4.934 5.357 1.00 1.33 H new ATOM 1130 N VAL A 78 8.351 -3.716 1.276 1.00 44.42 N ATOM 1131 CA VAL A 78 8.901 -2.508 0.672 1.00 11.41 C ATOM 1132 C VAL A 78 8.208 -1.260 1.209 1.00 74.51 C ATOM 1133 O VAL A 78 7.023 -1.040 0.958 1.00 53.23 O ATOM 1134 CB VAL A 78 8.767 -2.536 -0.862 1.00 53.11 C ATOM 1135 CG1 VAL A 78 9.720 -3.557 -1.463 1.00 25.21 C ATOM 1136 CG2 VAL A 78 7.331 -2.834 -1.265 1.00 55.44 C ATOM 0 H VAL A 78 8.072 -4.433 0.606 1.00 44.42 H new ATOM 0 HA VAL A 78 9.958 -2.475 0.936 1.00 11.41 H new ATOM 0 HB VAL A 78 9.034 -1.553 -1.251 1.00 53.11 H new ATOM 0 HG11 VAL A 78 9.611 -3.562 -2.548 1.00 25.21 H new ATOM 0 HG12 VAL A 78 10.745 -3.295 -1.203 1.00 25.21 H new ATOM 0 HG13 VAL A 78 9.488 -4.547 -1.070 1.00 25.21 H new ATOM 0 HG21 VAL A 78 7.254 -2.850 -2.352 1.00 55.44 H new ATOM 0 HG22 VAL A 78 7.035 -3.804 -0.866 1.00 55.44 H new ATOM 0 HG23 VAL A 78 6.673 -2.062 -0.866 1.00 55.44 H new ATOM 1146 N ARG A 79 8.954 -0.447 1.949 1.00 21.41 N ATOM 1147 CA ARG A 79 8.411 0.778 2.523 1.00 40.05 C ATOM 1148 C ARG A 79 9.506 1.825 2.704 1.00 51.33 C ATOM 1149 O ARG A 79 10.698 1.517 2.716 1.00 51.25 O ATOM 1150 CB ARG A 79 7.743 0.485 3.867 1.00 24.14 C ATOM 1151 CG ARG A 79 6.270 0.131 3.751 1.00 13.14 C ATOM 1152 CD ARG A 79 5.547 0.313 5.077 1.00 2.20 C ATOM 1153 NE ARG A 79 5.658 -0.869 5.928 1.00 52.14 N ATOM 1154 CZ ARG A 79 5.144 -0.945 7.150 1.00 20.22 C ATOM 1155 NH1 ARG A 79 4.487 0.086 7.663 1.00 44.45 N ATOM 1156 NH2 ARG A 79 5.286 -2.055 7.863 1.00 63.52 N ATOM 0 H ARG A 79 9.937 -0.615 2.165 1.00 21.41 H new ATOM 0 HA ARG A 79 7.665 1.173 1.833 1.00 40.05 H new ATOM 0 HB2 ARG A 79 8.268 -0.337 4.352 1.00 24.14 H new ATOM 0 HB3 ARG A 79 7.849 1.356 4.513 1.00 24.14 H new ATOM 0 HG2 ARG A 79 5.803 0.758 2.992 1.00 13.14 H new ATOM 0 HG3 ARG A 79 6.168 -0.902 3.419 1.00 13.14 H new ATOM 0 HD2 ARG A 79 5.960 1.176 5.600 1.00 2.20 H new ATOM 0 HD3 ARG A 79 4.495 0.527 4.890 1.00 2.20 H new ATOM 0 HE ARG A 79 6.158 -1.680 5.564 1.00 52.14 H new ATOM 0 HH11 ARG A 79 4.375 0.941 7.119 1.00 44.45 H new ATOM 0 HH12 ARG A 79 4.094 0.024 8.602 1.00 44.45 H new ATOM 0 HH21 ARG A 79 5.790 -2.851 7.473 1.00 63.52 H new ATOM 0 HH22 ARG A 79 4.891 -2.112 8.802 1.00 63.52 H new ATOM 1170 N PRO A 80 9.094 3.094 2.848 1.00 70.43 N ATOM 1171 CA PRO A 80 10.024 4.212 3.031 1.00 72.02 C ATOM 1172 C PRO A 80 10.711 4.178 4.391 1.00 23.54 C ATOM 1173 O PRO A 80 10.115 4.534 5.408 1.00 63.32 O ATOM 1174 CB PRO A 80 9.123 5.444 2.918 1.00 40.42 C ATOM 1175 CG PRO A 80 7.769 4.961 3.309 1.00 42.11 C ATOM 1176 CD PRO A 80 7.689 3.533 2.844 1.00 53.55 C ATOM 0 HA PRO A 80 10.835 4.191 2.303 1.00 72.02 H new ATOM 0 HB2 PRO A 80 9.463 6.244 3.575 1.00 40.42 H new ATOM 0 HB3 PRO A 80 9.123 5.843 1.904 1.00 40.42 H new ATOM 0 HG2 PRO A 80 7.627 5.029 4.388 1.00 42.11 H new ATOM 0 HG3 PRO A 80 6.990 5.567 2.846 1.00 42.11 H new ATOM 0 HD2 PRO A 80 7.077 2.927 3.512 1.00 53.55 H new ATOM 0 HD3 PRO A 80 7.247 3.458 1.850 1.00 53.55 H new ATOM 1184 N SER A 81 11.969 3.747 4.403 1.00 32.13 N ATOM 1185 CA SER A 81 12.736 3.663 5.640 1.00 24.13 C ATOM 1186 C SER A 81 11.959 2.905 6.712 1.00 73.22 C ATOM 1187 O SER A 81 11.972 3.277 7.884 1.00 2.45 O ATOM 1188 CB SER A 81 13.087 5.064 6.144 1.00 52.40 C ATOM 1189 OG SER A 81 11.991 5.651 6.824 1.00 33.34 O ATOM 0 H SER A 81 12.478 3.451 3.570 1.00 32.13 H new ATOM 0 HA SER A 81 13.657 3.119 5.430 1.00 24.13 H new ATOM 0 HB2 SER A 81 13.946 5.009 6.812 1.00 52.40 H new ATOM 0 HB3 SER A 81 13.377 5.694 5.303 1.00 52.40 H new ATOM 0 HG SER A 81 11.153 5.355 6.411 1.00 33.34 H new ATOM 1195 N ALA A 82 11.281 1.838 6.299 1.00 3.41 N ATOM 1196 CA ALA A 82 10.499 1.026 7.223 1.00 62.14 C ATOM 1197 C ALA A 82 11.104 -0.366 7.377 1.00 53.43 C ATOM 1198 O ALA A 82 11.307 -1.077 6.393 1.00 75.10 O ATOM 1199 CB ALA A 82 9.057 0.927 6.747 1.00 1.35 C ATOM 0 H ALA A 82 11.258 1.517 5.331 1.00 3.41 H new ATOM 0 HA ALA A 82 10.516 1.511 8.199 1.00 62.14 H new ATOM 0 HB1 ALA A 82 8.484 0.318 7.446 1.00 1.35 H new ATOM 0 HB2 ALA A 82 8.622 1.925 6.694 1.00 1.35 H new ATOM 0 HB3 ALA A 82 9.031 0.467 5.759 1.00 1.35 H new ATOM 1205 N SER A 83 11.390 -0.747 8.617 1.00 21.23 N ATOM 1206 CA SER A 83 11.976 -2.052 8.900 1.00 70.44 C ATOM 1207 C SER A 83 10.957 -2.973 9.565 1.00 3.44 C ATOM 1208 O SER A 83 10.138 -2.530 10.371 1.00 51.43 O ATOM 1209 CB SER A 83 13.205 -1.900 9.797 1.00 5.31 C ATOM 1210 OG SER A 83 12.865 -2.070 11.162 1.00 71.30 O ATOM 0 H SER A 83 11.226 -0.171 9.442 1.00 21.23 H new ATOM 0 HA SER A 83 12.280 -2.499 7.953 1.00 70.44 H new ATOM 0 HB2 SER A 83 13.959 -2.634 9.513 1.00 5.31 H new ATOM 0 HB3 SER A 83 13.647 -0.915 9.649 1.00 5.31 H new ATOM 0 HG SER A 83 13.668 -1.970 11.714 1.00 71.30 H new ATOM 1216 N ILE A 84 11.015 -4.255 9.223 1.00 65.10 N ATOM 1217 CA ILE A 84 10.100 -5.238 9.788 1.00 75.34 C ATOM 1218 C ILE A 84 10.824 -6.539 10.118 1.00 41.24 C ATOM 1219 O ILE A 84 11.856 -6.869 9.533 1.00 71.22 O ATOM 1220 CB ILE A 84 8.936 -5.542 8.825 1.00 2.11 C ATOM 1221 CG1 ILE A 84 9.469 -5.814 7.417 1.00 54.54 C ATOM 1222 CG2 ILE A 84 7.946 -4.387 8.809 1.00 4.35 C ATOM 1223 CD1 ILE A 84 8.943 -7.095 6.809 1.00 63.32 C ATOM 0 H ILE A 84 11.686 -4.637 8.557 1.00 65.10 H new ATOM 0 HA ILE A 84 9.700 -4.805 10.705 1.00 75.34 H new ATOM 0 HB ILE A 84 8.417 -6.434 9.175 1.00 2.11 H new ATOM 0 HG12 ILE A 84 9.204 -4.978 6.769 1.00 54.54 H new ATOM 0 HG13 ILE A 84 10.558 -5.858 7.452 1.00 54.54 H new ATOM 0 HG21 ILE A 84 7.130 -4.617 8.124 1.00 4.35 H new ATOM 0 HG22 ILE A 84 7.547 -4.236 9.812 1.00 4.35 H new ATOM 0 HG23 ILE A 84 8.451 -3.479 8.479 1.00 4.35 H new ATOM 0 HD11 ILE A 84 9.363 -7.223 5.811 1.00 63.32 H new ATOM 0 HD12 ILE A 84 9.231 -7.940 7.435 1.00 63.32 H new ATOM 0 HD13 ILE A 84 7.856 -7.047 6.742 1.00 63.32 H new ATOM 1235 N PRO A 85 10.272 -7.297 11.076 1.00 32.13 N ATOM 1236 CA PRO A 85 10.847 -8.575 11.504 1.00 25.45 C ATOM 1237 C PRO A 85 10.716 -9.657 10.437 1.00 5.43 C ATOM 1238 O PRO A 85 9.609 -10.029 10.049 1.00 21.23 O ATOM 1239 CB PRO A 85 10.021 -8.941 12.740 1.00 11.40 C ATOM 1240 CG PRO A 85 8.721 -8.239 12.547 1.00 71.11 C ATOM 1241 CD PRO A 85 9.042 -6.965 11.816 1.00 64.13 C ATOM 0 HA PRO A 85 11.917 -8.495 11.698 1.00 25.45 H new ATOM 0 HB2 PRO A 85 9.881 -10.019 12.818 1.00 11.40 H new ATOM 0 HB3 PRO A 85 10.514 -8.617 13.656 1.00 11.40 H new ATOM 0 HG2 PRO A 85 8.027 -8.854 11.973 1.00 71.11 H new ATOM 0 HG3 PRO A 85 8.245 -8.030 13.505 1.00 71.11 H new ATOM 0 HD2 PRO A 85 8.235 -6.673 11.144 1.00 64.13 H new ATOM 0 HD3 PRO A 85 9.199 -6.135 12.505 1.00 64.13 H new ATOM 1249 N VAL A 86 11.854 -10.158 9.966 1.00 10.32 N ATOM 1250 CA VAL A 86 11.866 -11.198 8.945 1.00 41.25 C ATOM 1251 C VAL A 86 12.525 -12.471 9.464 1.00 13.20 C ATOM 1252 O VAL A 86 13.475 -12.417 10.244 1.00 3.15 O ATOM 1253 CB VAL A 86 12.606 -10.731 7.677 1.00 53.22 C ATOM 1254 CG1 VAL A 86 12.654 -11.847 6.645 1.00 63.21 C ATOM 1255 CG2 VAL A 86 11.942 -9.489 7.100 1.00 22.23 C ATOM 0 H VAL A 86 12.779 -9.860 10.276 1.00 10.32 H new ATOM 0 HA VAL A 86 10.826 -11.407 8.694 1.00 41.25 H new ATOM 0 HB VAL A 86 13.630 -10.475 7.949 1.00 53.22 H new ATOM 0 HG11 VAL A 86 13.180 -11.498 5.756 1.00 63.21 H new ATOM 0 HG12 VAL A 86 13.177 -12.707 7.063 1.00 63.21 H new ATOM 0 HG13 VAL A 86 11.639 -12.137 6.375 1.00 63.21 H new ATOM 0 HG21 VAL A 86 12.477 -9.173 6.205 1.00 22.23 H new ATOM 0 HG22 VAL A 86 10.907 -9.716 6.843 1.00 22.23 H new ATOM 0 HG23 VAL A 86 11.965 -8.688 7.839 1.00 22.23 H new ATOM 1265 N VAL A 87 12.013 -13.617 9.025 1.00 3.34 N ATOM 1266 CA VAL A 87 12.553 -14.905 9.445 1.00 53.24 C ATOM 1267 C VAL A 87 13.317 -15.576 8.309 1.00 23.13 C ATOM 1268 O VAL A 87 12.787 -15.762 7.214 1.00 72.30 O ATOM 1269 CB VAL A 87 11.437 -15.850 9.927 1.00 73.41 C ATOM 1270 CG1 VAL A 87 10.284 -15.866 8.935 1.00 71.14 C ATOM 1271 CG2 VAL A 87 11.984 -17.253 10.143 1.00 60.21 C ATOM 0 H VAL A 87 11.226 -13.680 8.379 1.00 3.34 H new ATOM 0 HA VAL A 87 13.235 -14.709 10.272 1.00 53.24 H new ATOM 0 HB VAL A 87 11.059 -15.481 10.880 1.00 73.41 H new ATOM 0 HG11 VAL A 87 9.505 -16.539 9.293 1.00 71.14 H new ATOM 0 HG12 VAL A 87 9.876 -14.860 8.835 1.00 71.14 H new ATOM 0 HG13 VAL A 87 10.643 -16.210 7.965 1.00 71.14 H new ATOM 0 HG21 VAL A 87 11.182 -17.908 10.484 1.00 60.21 H new ATOM 0 HG22 VAL A 87 12.390 -17.634 9.206 1.00 60.21 H new ATOM 0 HG23 VAL A 87 12.773 -17.224 10.895 1.00 60.21 H new ATOM 1281 N PHE A 88 14.567 -15.938 8.578 1.00 23.43 N ATOM 1282 CA PHE A 88 15.406 -16.589 7.579 1.00 64.31 C ATOM 1283 C PHE A 88 15.988 -17.891 8.122 1.00 62.31 C ATOM 1284 O PHE A 88 16.034 -18.106 9.333 1.00 13.11 O ATOM 1285 CB PHE A 88 16.537 -15.654 7.144 1.00 20.43 C ATOM 1286 CG PHE A 88 17.473 -15.287 8.260 1.00 64.12 C ATOM 1287 CD1 PHE A 88 17.130 -14.305 9.175 1.00 23.31 C ATOM 1288 CD2 PHE A 88 18.697 -15.923 8.393 1.00 60.54 C ATOM 1289 CE1 PHE A 88 17.989 -13.965 10.203 1.00 25.11 C ATOM 1290 CE2 PHE A 88 19.560 -15.588 9.419 1.00 41.14 C ATOM 1291 CZ PHE A 88 19.206 -14.607 10.324 1.00 4.32 C ATOM 0 H PHE A 88 15.021 -15.792 9.479 1.00 23.43 H new ATOM 0 HA PHE A 88 14.784 -16.822 6.715 1.00 64.31 H new ATOM 0 HB2 PHE A 88 17.105 -16.131 6.346 1.00 20.43 H new ATOM 0 HB3 PHE A 88 16.106 -14.744 6.728 1.00 20.43 H new ATOM 0 HD1 PHE A 88 16.180 -13.799 9.084 1.00 23.31 H new ATOM 0 HD2 PHE A 88 18.980 -16.689 7.687 1.00 60.54 H new ATOM 0 HE1 PHE A 88 17.709 -13.199 10.911 1.00 25.11 H new ATOM 0 HE2 PHE A 88 20.510 -16.093 9.513 1.00 41.14 H new ATOM 0 HZ PHE A 88 19.880 -14.342 11.125 1.00 4.32 H new ATOM 1301 N SER A 89 16.432 -18.757 7.216 1.00 34.33 N ATOM 1302 CA SER A 89 17.007 -20.040 7.603 1.00 74.40 C ATOM 1303 C SER A 89 18.300 -20.309 6.839 1.00 54.41 C ATOM 1304 O SER A 89 18.400 -20.019 5.646 1.00 22.54 O ATOM 1305 CB SER A 89 16.006 -21.169 7.347 1.00 23.32 C ATOM 1306 OG SER A 89 15.456 -21.648 8.562 1.00 14.31 O ATOM 0 H SER A 89 16.404 -18.593 6.210 1.00 34.33 H new ATOM 0 HA SER A 89 17.236 -20.001 8.668 1.00 74.40 H new ATOM 0 HB2 SER A 89 15.207 -20.810 6.699 1.00 23.32 H new ATOM 0 HB3 SER A 89 16.501 -21.986 6.821 1.00 23.32 H new ATOM 0 HG SER A 89 16.178 -21.828 9.200 1.00 14.31 H new ATOM 1312 N ARG A 90 19.287 -20.863 7.535 1.00 73.10 N ATOM 1313 CA ARG A 90 20.574 -21.170 6.924 1.00 43.43 C ATOM 1314 C ARG A 90 20.867 -22.666 6.993 1.00 13.40 C ATOM 1315 O ARG A 90 21.453 -23.149 7.962 1.00 71.45 O ATOM 1316 CB ARG A 90 21.691 -20.388 7.618 1.00 63.13 C ATOM 1317 CG ARG A 90 22.083 -19.111 6.892 1.00 33.12 C ATOM 1318 CD ARG A 90 23.415 -19.264 6.176 1.00 45.41 C ATOM 1319 NE ARG A 90 24.161 -18.008 6.133 1.00 33.33 N ATOM 1320 CZ ARG A 90 24.690 -17.431 7.206 1.00 15.23 C ATOM 1321 NH1 ARG A 90 24.556 -17.993 8.400 1.00 60.24 N ATOM 1322 NH2 ARG A 90 25.354 -16.289 7.087 1.00 40.51 N ATOM 0 H ARG A 90 19.220 -21.108 8.523 1.00 73.10 H new ATOM 0 HA ARG A 90 20.529 -20.875 5.876 1.00 43.43 H new ATOM 0 HB2 ARG A 90 21.373 -20.137 8.630 1.00 63.13 H new ATOM 0 HB3 ARG A 90 22.569 -21.028 7.709 1.00 63.13 H new ATOM 0 HG2 ARG A 90 21.309 -18.849 6.171 1.00 33.12 H new ATOM 0 HG3 ARG A 90 22.145 -18.290 7.606 1.00 33.12 H new ATOM 0 HD2 ARG A 90 24.013 -20.023 6.680 1.00 45.41 H new ATOM 0 HD3 ARG A 90 23.242 -19.618 5.160 1.00 45.41 H new ATOM 0 HE ARG A 90 24.282 -17.550 5.230 1.00 33.33 H new ATOM 0 HH11 ARG A 90 24.046 -18.871 8.496 1.00 60.24 H new ATOM 0 HH12 ARG A 90 24.963 -17.547 9.222 1.00 60.24 H new ATOM 0 HH21 ARG A 90 25.459 -15.853 6.171 1.00 40.51 H new ATOM 0 HH22 ARG A 90 25.760 -15.847 7.912 1.00 40.51 H new ATOM 1336 N ASP A 91 20.454 -23.392 5.960 1.00 31.24 N ATOM 1337 CA ASP A 91 20.672 -24.833 5.904 1.00 73.05 C ATOM 1338 C ASP A 91 19.955 -25.537 7.052 1.00 40.23 C ATOM 1339 O ASP A 91 20.475 -26.489 7.631 1.00 62.43 O ATOM 1340 CB ASP A 91 22.168 -25.146 5.951 1.00 30.44 C ATOM 1341 CG ASP A 91 23.003 -24.094 5.249 1.00 53.14 C ATOM 1342 OD1 ASP A 91 22.686 -23.763 4.087 1.00 73.24 O ATOM 1343 OD2 ASP A 91 23.972 -23.600 5.861 1.00 64.21 O ATOM 0 H ASP A 91 19.967 -23.007 5.151 1.00 31.24 H new ATOM 0 HA ASP A 91 20.261 -25.201 4.964 1.00 73.05 H new ATOM 0 HB2 ASP A 91 22.487 -25.225 6.990 1.00 30.44 H new ATOM 0 HB3 ASP A 91 22.348 -26.116 5.488 1.00 30.44 H new ATOM 1348 N GLY A 92 18.757 -25.059 7.376 1.00 22.35 N ATOM 1349 CA GLY A 92 17.989 -25.654 8.455 1.00 42.32 C ATOM 1350 C GLY A 92 18.072 -24.850 9.737 1.00 13.51 C ATOM 1351 O GLY A 92 17.274 -25.045 10.654 1.00 74.32 O ATOM 0 H GLY A 92 18.305 -24.271 6.911 1.00 22.35 H new ATOM 0 HA2 GLY A 92 16.946 -25.740 8.150 1.00 42.32 H new ATOM 0 HA3 GLY A 92 18.351 -26.665 8.640 1.00 42.32 H new ATOM 1355 N VAL A 93 19.041 -23.942 9.804 1.00 61.44 N ATOM 1356 CA VAL A 93 19.226 -23.106 10.983 1.00 13.14 C ATOM 1357 C VAL A 93 18.048 -22.156 11.173 1.00 24.03 C ATOM 1358 O VAL A 93 17.459 -21.678 10.203 1.00 24.54 O ATOM 1359 CB VAL A 93 20.525 -22.284 10.891 1.00 52.32 C ATOM 1360 CG1 VAL A 93 20.639 -21.330 12.071 1.00 72.44 C ATOM 1361 CG2 VAL A 93 21.734 -23.204 10.820 1.00 73.40 C ATOM 0 H VAL A 93 19.710 -23.767 9.054 1.00 61.44 H new ATOM 0 HA VAL A 93 19.290 -23.777 11.840 1.00 13.14 H new ATOM 0 HB VAL A 93 20.494 -21.691 9.977 1.00 52.32 H new ATOM 0 HG11 VAL A 93 21.563 -20.758 11.988 1.00 72.44 H new ATOM 0 HG12 VAL A 93 19.789 -20.648 12.071 1.00 72.44 H new ATOM 0 HG13 VAL A 93 20.647 -21.900 13.000 1.00 72.44 H new ATOM 0 HG21 VAL A 93 22.643 -22.606 10.755 1.00 73.40 H new ATOM 0 HG22 VAL A 93 21.771 -23.825 11.715 1.00 73.40 H new ATOM 0 HG23 VAL A 93 21.655 -23.841 9.939 1.00 73.40 H new ATOM 1371 N VAL A 94 17.710 -21.885 12.430 1.00 63.20 N ATOM 1372 CA VAL A 94 16.604 -20.991 12.748 1.00 11.51 C ATOM 1373 C VAL A 94 17.104 -19.712 13.411 1.00 21.23 C ATOM 1374 O VAL A 94 17.622 -19.742 14.527 1.00 12.43 O ATOM 1375 CB VAL A 94 15.581 -21.671 13.677 1.00 71.22 C ATOM 1376 CG1 VAL A 94 16.270 -22.228 14.913 1.00 33.32 C ATOM 1377 CG2 VAL A 94 14.481 -20.694 14.064 1.00 72.42 C ATOM 0 H VAL A 94 18.187 -22.272 13.244 1.00 63.20 H new ATOM 0 HA VAL A 94 16.118 -20.742 11.805 1.00 11.51 H new ATOM 0 HB VAL A 94 15.124 -22.502 13.140 1.00 71.22 H new ATOM 0 HG11 VAL A 94 15.531 -22.705 15.558 1.00 33.32 H new ATOM 0 HG12 VAL A 94 17.018 -22.962 14.613 1.00 33.32 H new ATOM 0 HG13 VAL A 94 16.755 -21.417 15.456 1.00 33.32 H new ATOM 0 HG21 VAL A 94 13.767 -21.191 14.720 1.00 72.42 H new ATOM 0 HG22 VAL A 94 14.918 -19.841 14.583 1.00 72.42 H new ATOM 0 HG23 VAL A 94 13.969 -20.349 13.166 1.00 72.42 H new ATOM 1387 N MET A 95 16.945 -18.590 12.717 1.00 61.44 N ATOM 1388 CA MET A 95 17.379 -17.300 13.239 1.00 24.24 C ATOM 1389 C MET A 95 16.440 -16.186 12.787 1.00 24.41 C ATOM 1390 O MET A 95 15.782 -16.298 11.753 1.00 62.41 O ATOM 1391 CB MET A 95 18.808 -16.996 12.784 1.00 54.45 C ATOM 1392 CG MET A 95 19.450 -15.837 13.530 1.00 72.52 C ATOM 1393 SD MET A 95 19.705 -16.194 15.279 1.00 72.32 S ATOM 1394 CE MET A 95 21.460 -15.872 15.438 1.00 74.43 C ATOM 0 H MET A 95 16.519 -18.548 11.791 1.00 61.44 H new ATOM 0 HA MET A 95 17.355 -17.350 14.328 1.00 24.24 H new ATOM 0 HB2 MET A 95 19.421 -17.888 12.918 1.00 54.45 H new ATOM 0 HB3 MET A 95 18.801 -16.771 11.717 1.00 54.45 H new ATOM 0 HG2 MET A 95 20.408 -15.599 13.068 1.00 72.52 H new ATOM 0 HG3 MET A 95 18.820 -14.953 13.432 1.00 72.52 H new ATOM 0 HE1 MET A 95 21.771 -16.049 16.468 1.00 74.43 H new ATOM 0 HE2 MET A 95 22.013 -16.535 14.773 1.00 74.43 H new ATOM 0 HE3 MET A 95 21.665 -14.836 15.170 1.00 74.43 H new ATOM 1404 N SER A 96 16.383 -15.113 13.568 1.00 3.45 N ATOM 1405 CA SER A 96 15.521 -13.980 13.250 1.00 65.31 C ATOM 1406 C SER A 96 16.296 -12.668 13.331 1.00 30.41 C ATOM 1407 O SER A 96 16.976 -12.397 14.320 1.00 1.30 O ATOM 1408 CB SER A 96 14.325 -13.939 14.202 1.00 31.13 C ATOM 1409 OG SER A 96 14.690 -13.389 15.456 1.00 12.21 O ATOM 0 H SER A 96 16.923 -15.004 14.426 1.00 3.45 H new ATOM 0 HA SER A 96 15.159 -14.106 12.229 1.00 65.31 H new ATOM 0 HB2 SER A 96 13.525 -13.345 13.760 1.00 31.13 H new ATOM 0 HB3 SER A 96 13.934 -14.947 14.343 1.00 31.13 H new ATOM 0 HG SER A 96 13.908 -13.372 16.046 1.00 12.21 H new ATOM 1415 N ALA A 97 16.187 -11.858 12.283 1.00 21.41 N ATOM 1416 CA ALA A 97 16.875 -10.574 12.236 1.00 72.15 C ATOM 1417 C ALA A 97 16.010 -9.513 11.564 1.00 51.12 C ATOM 1418 O ALA A 97 15.335 -9.784 10.570 1.00 30.10 O ATOM 1419 CB ALA A 97 18.203 -10.714 11.507 1.00 4.53 C ATOM 0 H ALA A 97 15.629 -12.068 11.456 1.00 21.41 H new ATOM 0 HA ALA A 97 17.067 -10.254 13.260 1.00 72.15 H new ATOM 0 HB1 ALA A 97 18.706 -9.748 11.479 1.00 4.53 H new ATOM 0 HB2 ALA A 97 18.831 -11.435 12.030 1.00 4.53 H new ATOM 0 HB3 ALA A 97 18.024 -11.060 10.489 1.00 4.53 H new ATOM 1425 N THR A 98 16.034 -8.302 12.113 1.00 74.23 N ATOM 1426 CA THR A 98 15.250 -7.201 11.568 1.00 44.52 C ATOM 1427 C THR A 98 15.984 -6.520 10.418 1.00 63.11 C ATOM 1428 O THR A 98 17.129 -6.091 10.568 1.00 54.45 O ATOM 1429 CB THR A 98 14.929 -6.151 12.649 1.00 74.52 C ATOM 1430 OG1 THR A 98 14.621 -6.802 13.887 1.00 61.13 O ATOM 1431 CG2 THR A 98 13.757 -5.279 12.224 1.00 2.31 C ATOM 0 H THR A 98 16.588 -8.059 12.934 1.00 74.23 H new ATOM 0 HA THR A 98 14.318 -7.629 11.199 1.00 44.52 H new ATOM 0 HB THR A 98 15.805 -5.516 12.780 1.00 74.52 H new ATOM 0 HG1 THR A 98 14.420 -6.128 14.570 1.00 61.13 H new ATOM 0 HG21 THR A 98 13.548 -4.545 13.003 1.00 2.31 H new ATOM 0 HG22 THR A 98 14.005 -4.763 11.296 1.00 2.31 H new ATOM 0 HG23 THR A 98 12.877 -5.903 12.068 1.00 2.31 H new ATOM 1439 N ILE A 99 15.319 -6.425 9.272 1.00 42.33 N ATOM 1440 CA ILE A 99 15.909 -5.794 8.097 1.00 32.31 C ATOM 1441 C ILE A 99 15.151 -4.528 7.714 1.00 11.43 C ATOM 1442 O ILE A 99 13.934 -4.551 7.531 1.00 12.23 O ATOM 1443 CB ILE A 99 15.925 -6.753 6.892 1.00 21.20 C ATOM 1444 CG1 ILE A 99 14.548 -7.393 6.703 1.00 62.10 C ATOM 1445 CG2 ILE A 99 16.991 -7.823 7.080 1.00 12.45 C ATOM 1446 CD1 ILE A 99 14.479 -8.342 5.527 1.00 22.11 C ATOM 0 H ILE A 99 14.372 -6.777 9.132 1.00 42.33 H new ATOM 0 HA ILE A 99 16.935 -5.535 8.359 1.00 32.31 H new ATOM 0 HB ILE A 99 16.166 -6.182 5.995 1.00 21.20 H new ATOM 0 HG12 ILE A 99 14.279 -7.933 7.611 1.00 62.10 H new ATOM 0 HG13 ILE A 99 13.806 -6.606 6.568 1.00 62.10 H new ATOM 0 HG21 ILE A 99 16.990 -8.493 6.220 1.00 12.45 H new ATOM 0 HG22 ILE A 99 17.969 -7.350 7.170 1.00 12.45 H new ATOM 0 HG23 ILE A 99 16.779 -8.393 7.984 1.00 12.45 H new ATOM 0 HD11 ILE A 99 13.474 -8.758 5.454 1.00 22.11 H new ATOM 0 HD12 ILE A 99 14.716 -7.803 4.610 1.00 22.11 H new ATOM 0 HD13 ILE A 99 15.197 -9.150 5.669 1.00 22.11 H new ATOM 1458 N VAL A 100 15.880 -3.422 7.593 1.00 34.41 N ATOM 1459 CA VAL A 100 15.277 -2.146 7.229 1.00 41.31 C ATOM 1460 C VAL A 100 15.485 -1.842 5.749 1.00 22.04 C ATOM 1461 O VAL A 100 16.613 -1.643 5.298 1.00 61.20 O ATOM 1462 CB VAL A 100 15.860 -0.991 8.066 1.00 73.15 C ATOM 1463 CG1 VAL A 100 17.379 -0.987 7.985 1.00 54.52 C ATOM 1464 CG2 VAL A 100 15.289 0.341 7.604 1.00 10.42 C ATOM 0 H VAL A 100 16.888 -3.385 7.742 1.00 34.41 H new ATOM 0 HA VAL A 100 14.210 -2.230 7.433 1.00 41.31 H new ATOM 0 HB VAL A 100 15.577 -1.140 9.108 1.00 73.15 H new ATOM 0 HG11 VAL A 100 17.773 -0.165 8.582 1.00 54.52 H new ATOM 0 HG12 VAL A 100 17.766 -1.931 8.368 1.00 54.52 H new ATOM 0 HG13 VAL A 100 17.688 -0.862 6.947 1.00 54.52 H new ATOM 0 HG21 VAL A 100 15.711 1.146 8.206 1.00 10.42 H new ATOM 0 HG22 VAL A 100 15.541 0.501 6.556 1.00 10.42 H new ATOM 0 HG23 VAL A 100 14.205 0.332 7.719 1.00 10.42 H new ATOM 1474 N VAL A 101 14.389 -1.807 4.998 1.00 21.12 N ATOM 1475 CA VAL A 101 14.451 -1.526 3.569 1.00 55.11 C ATOM 1476 C VAL A 101 14.028 -0.091 3.272 1.00 24.35 C ATOM 1477 O VAL A 101 13.021 0.390 3.790 1.00 45.21 O ATOM 1478 CB VAL A 101 13.554 -2.489 2.768 1.00 30.03 C ATOM 1479 CG1 VAL A 101 13.699 -2.237 1.275 1.00 23.43 C ATOM 1480 CG2 VAL A 101 13.887 -3.934 3.109 1.00 43.31 C ATOM 0 H VAL A 101 13.448 -1.970 5.356 1.00 21.12 H new ATOM 0 HA VAL A 101 15.488 -1.667 3.264 1.00 55.11 H new ATOM 0 HB VAL A 101 12.516 -2.305 3.043 1.00 30.03 H new ATOM 0 HG11 VAL A 101 13.058 -2.927 0.726 1.00 23.43 H new ATOM 0 HG12 VAL A 101 13.407 -1.212 1.049 1.00 23.43 H new ATOM 0 HG13 VAL A 101 14.736 -2.392 0.979 1.00 23.43 H new ATOM 0 HG21 VAL A 101 13.244 -4.601 2.534 1.00 43.31 H new ATOM 0 HG22 VAL A 101 14.930 -4.135 2.864 1.00 43.31 H new ATOM 0 HG23 VAL A 101 13.726 -4.103 4.174 1.00 43.31 H new ATOM 1490 N GLY A 102 14.806 0.588 2.435 1.00 62.35 N ATOM 1491 CA GLY A 102 14.496 1.961 2.083 1.00 44.22 C ATOM 1492 C GLY A 102 13.999 2.097 0.657 1.00 25.32 C ATOM 1493 O GLY A 102 14.761 1.912 -0.292 1.00 13.32 O ATOM 0 H GLY A 102 15.645 0.212 1.994 1.00 62.35 H new ATOM 0 HA2 GLY A 102 13.739 2.346 2.766 1.00 44.22 H new ATOM 0 HA3 GLY A 102 15.386 2.576 2.214 1.00 44.22 H new ATOM 1497 N GLU A 103 12.718 2.418 0.507 1.00 44.23 N ATOM 1498 CA GLU A 103 12.121 2.575 -0.814 1.00 40.32 C ATOM 1499 C GLU A 103 12.193 4.028 -1.275 1.00 0.44 C ATOM 1500 O GLU A 103 12.399 4.308 -2.457 1.00 34.35 O ATOM 1501 CB GLU A 103 10.665 2.105 -0.799 1.00 40.21 C ATOM 1502 CG GLU A 103 10.505 0.612 -1.029 1.00 62.23 C ATOM 1503 CD GLU A 103 11.542 -0.207 -0.285 1.00 72.42 C ATOM 1504 OE1 GLU A 103 12.388 -0.839 -0.952 1.00 44.20 O ATOM 1505 OE2 GLU A 103 11.507 -0.218 0.963 1.00 54.41 O ATOM 0 H GLU A 103 12.074 2.574 1.283 1.00 44.23 H new ATOM 0 HA GLU A 103 12.687 1.961 -1.515 1.00 40.32 H new ATOM 0 HB2 GLU A 103 10.218 2.366 0.160 1.00 40.21 H new ATOM 0 HB3 GLU A 103 10.110 2.644 -1.567 1.00 40.21 H new ATOM 0 HG2 GLU A 103 9.509 0.304 -0.712 1.00 62.23 H new ATOM 0 HG3 GLU A 103 10.579 0.402 -2.096 1.00 62.23 H new