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 Set 1.1: A 30 GLN : amide:sc= -6.86! C(o=-8.5!,f=-6.8!) USER MOD Set 1.2: A 77 HIS : no HE2:sc= -1.65 K(o=-8.5,f=-9.3) USER MOD Set 2.1: A 22 THR OG1 : rot -150:sc= -0.361 USER MOD Set 2.2: A 55 GLN : amide:sc= -1.05 K(o=-1.4,f=-2.2!) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 20 CYS SG : rot -131:sc= 0.126 USER MOD Single : A 3 THR OG1 : rot -170:sc= -0.237 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 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -27:sc= 0.282 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 29 THR OG1 : rot -9:sc= 1.03 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0057 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -160:sc= -1.33 USER MOD Single : A 35 SER OG : rot 120:sc= -0.534 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.063) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.92 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.391 USER MOD Single : A 71 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -44:sc= 0.681 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc=-0.00245 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.013 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.006 0.007 -0.544 1.00 22.12 N ATOM 2 CA PRO A 1 3.023 0.059 -1.598 1.00 62.32 C ATOM 3 C PRO A 1 2.869 -1.073 -2.609 1.00 11.24 C ATOM 4 O PRO A 1 1.868 -1.790 -2.605 1.00 35.23 O ATOM 5 CB PRO A 1 4.339 -0.087 -0.829 1.00 51.45 C ATOM 6 CG PRO A 1 3.970 -0.813 0.418 1.00 5.21 C ATOM 7 CD PRO A 1 2.577 -0.365 0.762 1.00 51.41 C ATOM 0 H2 PRO A 1 1.285 -0.667 -0.802 1.00 22.12 H new ATOM 0 H3 PRO A 1 1.551 0.917 -0.468 1.00 22.12 H new ATOM 0 HA PRO A 1 2.955 0.975 -2.184 1.00 62.32 H new ATOM 0 HB2 PRO A 1 5.076 -0.644 -1.408 1.00 51.45 H new ATOM 0 HB3 PRO A 1 4.777 0.886 -0.606 1.00 51.45 H new ATOM 0 HG2 PRO A 1 4.007 -1.892 0.267 1.00 5.21 H new ATOM 0 HG3 PRO A 1 4.665 -0.581 1.225 1.00 5.21 H new ATOM 0 HD2 PRO A 1 2.005 -1.161 1.239 1.00 51.41 H new ATOM 0 HD3 PRO A 1 2.585 0.479 1.452 1.00 51.41 H new ATOM 15 N LEU A 2 3.866 -1.228 -3.473 1.00 33.02 N ATOM 16 CA LEU A 2 3.841 -2.274 -4.490 1.00 10.24 C ATOM 17 C LEU A 2 5.256 -2.658 -4.911 1.00 11.44 C ATOM 18 O LEU A 2 6.221 -1.962 -4.591 1.00 61.52 O ATOM 19 CB LEU A 2 3.043 -1.808 -5.709 1.00 35.44 C ATOM 20 CG LEU A 2 1.659 -2.436 -5.885 1.00 24.35 C ATOM 21 CD1 LEU A 2 0.578 -1.369 -5.831 1.00 12.43 C ATOM 22 CD2 LEU A 2 1.586 -3.207 -7.195 1.00 2.32 C ATOM 0 H LEU A 2 4.701 -0.643 -3.490 1.00 33.02 H new ATOM 0 HA LEU A 2 3.358 -3.152 -4.061 1.00 10.24 H new ATOM 0 HB2 LEU A 2 2.924 -0.726 -5.649 1.00 35.44 H new ATOM 0 HB3 LEU A 2 3.630 -2.015 -6.604 1.00 35.44 H new ATOM 0 HG LEU A 2 1.491 -3.135 -5.066 1.00 24.35 H new ATOM 0 HD11 LEU A 2 -0.399 -1.835 -5.958 1.00 12.43 H new ATOM 0 HD12 LEU A 2 0.616 -0.861 -4.867 1.00 12.43 H new ATOM 0 HD13 LEU A 2 0.741 -0.645 -6.629 1.00 12.43 H new ATOM 0 HD21 LEU A 2 0.595 -3.647 -7.304 1.00 2.32 H new ATOM 0 HD22 LEU A 2 1.775 -2.529 -8.027 1.00 2.32 H new ATOM 0 HD23 LEU A 2 2.336 -3.998 -7.194 1.00 2.32 H new ATOM 34 N THR A 3 5.373 -3.768 -5.632 1.00 33.31 N ATOM 35 CA THR A 3 6.669 -4.244 -6.098 1.00 71.20 C ATOM 36 C THR A 3 6.659 -4.479 -7.604 1.00 43.22 C ATOM 37 O THR A 3 5.601 -4.496 -8.233 1.00 12.34 O ATOM 38 CB THR A 3 7.076 -5.550 -5.389 1.00 50.22 C ATOM 39 OG1 THR A 3 8.380 -5.955 -5.821 1.00 32.44 O ATOM 40 CG2 THR A 3 6.074 -6.657 -5.677 1.00 74.22 C ATOM 0 H THR A 3 4.585 -4.355 -5.906 1.00 33.31 H new ATOM 0 HA THR A 3 7.396 -3.468 -5.859 1.00 71.20 H new ATOM 0 HB THR A 3 7.090 -5.366 -4.315 1.00 50.22 H new ATOM 0 HG1 THR A 3 8.567 -6.859 -5.492 1.00 32.44 H new ATOM 0 HG21 THR A 3 6.382 -7.569 -5.166 1.00 74.22 H new ATOM 0 HG22 THR A 3 5.088 -6.357 -5.321 1.00 74.22 H new ATOM 0 HG23 THR A 3 6.032 -6.839 -6.751 1.00 74.22 H new ATOM 48 N ARG A 4 7.844 -4.660 -8.178 1.00 5.03 N ATOM 49 CA ARG A 4 7.972 -4.893 -9.611 1.00 71.32 C ATOM 50 C ARG A 4 7.038 -6.011 -10.065 1.00 54.03 C ATOM 51 O ARG A 4 6.590 -6.840 -9.273 1.00 23.14 O ATOM 52 CB ARG A 4 9.417 -5.247 -9.965 1.00 44.04 C ATOM 53 CG ARG A 4 10.301 -4.033 -10.200 1.00 65.12 C ATOM 54 CD ARG A 4 11.189 -4.218 -11.421 1.00 52.13 C ATOM 55 NE ARG A 4 11.538 -2.943 -12.042 1.00 72.14 N ATOM 56 CZ ARG A 4 12.537 -2.795 -12.905 1.00 3.13 C ATOM 57 NH1 ARG A 4 13.282 -3.837 -13.246 1.00 43.05 N ATOM 58 NH2 ARG A 4 12.793 -1.602 -13.427 1.00 71.33 N ATOM 0 H ARG A 4 8.730 -4.650 -7.672 1.00 5.03 H new ATOM 0 HA ARG A 4 7.693 -3.976 -10.129 1.00 71.32 H new ATOM 0 HB2 ARG A 4 9.843 -5.846 -9.160 1.00 44.04 H new ATOM 0 HB3 ARG A 4 9.421 -5.868 -10.861 1.00 44.04 H new ATOM 0 HG2 ARG A 4 9.678 -3.148 -10.332 1.00 65.12 H new ATOM 0 HG3 ARG A 4 10.921 -3.858 -9.321 1.00 65.12 H new ATOM 0 HD2 ARG A 4 12.100 -4.741 -11.131 1.00 52.13 H new ATOM 0 HD3 ARG A 4 10.678 -4.848 -12.149 1.00 52.13 H new ATOM 0 HE ARG A 4 10.984 -2.121 -11.800 1.00 72.14 H new ATOM 0 HH11 ARG A 4 13.089 -4.755 -12.846 1.00 43.05 H new ATOM 0 HH12 ARG A 4 14.048 -3.721 -13.909 1.00 43.05 H new ATOM 0 HH21 ARG A 4 12.223 -0.798 -13.166 1.00 71.33 H new ATOM 0 HH22 ARG A 4 13.560 -1.489 -14.090 1.00 71.33 H new ATOM 72 N PRO A 5 6.734 -6.035 -11.372 1.00 25.13 N ATOM 73 CA PRO A 5 5.851 -7.046 -11.961 1.00 12.52 C ATOM 74 C PRO A 5 6.488 -8.431 -11.983 1.00 12.22 C ATOM 75 O PRO A 5 5.871 -9.415 -11.573 1.00 43.35 O ATOM 76 CB PRO A 5 5.630 -6.536 -13.387 1.00 43.42 C ATOM 77 CG PRO A 5 6.830 -5.703 -13.682 1.00 23.43 C ATOM 78 CD PRO A 5 7.232 -5.078 -12.374 1.00 74.14 C ATOM 0 HA PRO A 5 4.931 -7.166 -11.389 1.00 12.52 H new ATOM 0 HB2 PRO A 5 5.538 -7.362 -14.093 1.00 43.42 H new ATOM 0 HB3 PRO A 5 4.714 -5.950 -13.460 1.00 43.42 H new ATOM 0 HG2 PRO A 5 7.638 -6.312 -14.088 1.00 23.43 H new ATOM 0 HG3 PRO A 5 6.602 -4.939 -14.426 1.00 23.43 H new ATOM 0 HD2 PRO A 5 8.312 -4.950 -12.305 1.00 74.14 H new ATOM 0 HD3 PRO A 5 6.785 -4.092 -12.245 1.00 74.14 H new ATOM 86 N TYR A 6 7.725 -8.500 -12.462 1.00 74.43 N ATOM 87 CA TYR A 6 8.444 -9.766 -12.539 1.00 64.13 C ATOM 88 C TYR A 6 9.487 -9.868 -11.430 1.00 70.22 C ATOM 89 O TYR A 6 9.998 -8.857 -10.947 1.00 10.01 O ATOM 90 CB TYR A 6 9.120 -9.911 -13.904 1.00 54.32 C ATOM 91 CG TYR A 6 8.317 -10.724 -14.894 1.00 15.01 C ATOM 92 CD1 TYR A 6 6.964 -10.474 -15.093 1.00 21.24 C ATOM 93 CD2 TYR A 6 8.909 -11.742 -15.630 1.00 24.53 C ATOM 94 CE1 TYR A 6 6.226 -11.215 -15.995 1.00 70.13 C ATOM 95 CE2 TYR A 6 8.180 -12.487 -16.536 1.00 35.35 C ATOM 96 CZ TYR A 6 6.838 -12.220 -16.715 1.00 23.14 C ATOM 97 OH TYR A 6 6.107 -12.961 -17.615 1.00 44.10 O ATOM 0 H TYR A 6 8.250 -7.695 -12.803 1.00 74.43 H new ATOM 0 HA TYR A 6 7.722 -10.573 -12.411 1.00 64.13 H new ATOM 0 HB2 TYR A 6 9.297 -8.919 -14.320 1.00 54.32 H new ATOM 0 HB3 TYR A 6 10.095 -10.378 -13.769 1.00 54.32 H new ATOM 0 HD1 TYR A 6 6.482 -9.687 -14.533 1.00 21.24 H new ATOM 0 HD2 TYR A 6 9.959 -11.955 -15.491 1.00 24.53 H new ATOM 0 HE1 TYR A 6 5.175 -11.009 -16.136 1.00 70.13 H new ATOM 0 HE2 TYR A 6 8.657 -13.274 -17.101 1.00 35.35 H new ATOM 0 HH TYR A 6 6.688 -13.627 -18.039 1.00 44.10 H new ATOM 107 N LEU A 7 9.799 -11.097 -11.032 1.00 15.54 N ATOM 108 CA LEU A 7 10.781 -11.333 -9.980 1.00 21.43 C ATOM 109 C LEU A 7 12.193 -11.386 -10.555 1.00 32.00 C ATOM 110 O LEU A 7 12.412 -11.919 -11.642 1.00 53.41 O ATOM 111 CB LEU A 7 10.468 -12.639 -9.247 1.00 12.03 C ATOM 112 CG LEU A 7 10.205 -13.859 -10.131 1.00 0.34 C ATOM 113 CD1 LEU A 7 11.083 -15.025 -9.705 1.00 61.24 C ATOM 114 CD2 LEU A 7 8.735 -14.248 -10.078 1.00 70.53 C ATOM 0 H LEU A 7 9.386 -11.944 -11.422 1.00 15.54 H new ATOM 0 HA LEU A 7 10.727 -10.504 -9.274 1.00 21.43 H new ATOM 0 HB2 LEU A 7 11.302 -12.869 -8.584 1.00 12.03 H new ATOM 0 HB3 LEU A 7 9.594 -12.478 -8.616 1.00 12.03 H new ATOM 0 HG LEU A 7 10.455 -13.600 -11.160 1.00 0.34 H new ATOM 0 HD11 LEU A 7 10.882 -15.884 -10.345 1.00 61.24 H new ATOM 0 HD12 LEU A 7 12.132 -14.743 -9.795 1.00 61.24 H new ATOM 0 HD13 LEU A 7 10.865 -15.285 -8.669 1.00 61.24 H new ATOM 0 HD21 LEU A 7 8.566 -15.118 -10.713 1.00 70.53 H new ATOM 0 HD22 LEU A 7 8.459 -14.489 -9.051 1.00 70.53 H new ATOM 0 HD23 LEU A 7 8.126 -13.416 -10.432 1.00 70.53 H new ATOM 126 N GLY A 8 13.149 -10.831 -9.816 1.00 12.01 N ATOM 127 CA GLY A 8 14.528 -10.827 -10.268 1.00 32.21 C ATOM 128 C GLY A 8 15.422 -11.700 -9.409 1.00 53.23 C ATOM 129 O GLY A 8 16.528 -11.300 -9.045 1.00 53.42 O ATOM 0 H GLY A 8 12.993 -10.384 -8.912 1.00 12.01 H new ATOM 0 HA2 GLY A 8 14.570 -11.174 -11.300 1.00 32.21 H new ATOM 0 HA3 GLY A 8 14.907 -9.805 -10.260 1.00 32.21 H new ATOM 133 N PHE A 9 14.942 -12.895 -9.083 1.00 31.31 N ATOM 134 CA PHE A 9 15.704 -13.826 -8.259 1.00 23.10 C ATOM 135 C PHE A 9 15.214 -15.257 -8.460 1.00 23.23 C ATOM 136 O PHE A 9 14.087 -15.483 -8.899 1.00 54.41 O ATOM 137 CB PHE A 9 15.596 -13.440 -6.782 1.00 74.24 C ATOM 138 CG PHE A 9 14.226 -13.658 -6.205 1.00 62.01 C ATOM 139 CD1 PHE A 9 13.155 -12.882 -6.617 1.00 11.23 C ATOM 140 CD2 PHE A 9 14.010 -14.639 -5.250 1.00 44.24 C ATOM 141 CE1 PHE A 9 11.893 -13.080 -6.088 1.00 3.12 C ATOM 142 CE2 PHE A 9 12.751 -14.842 -4.718 1.00 41.33 C ATOM 143 CZ PHE A 9 11.692 -14.061 -5.137 1.00 14.55 C ATOM 0 H PHE A 9 14.029 -13.242 -9.377 1.00 31.31 H new ATOM 0 HA PHE A 9 16.749 -13.772 -8.566 1.00 23.10 H new ATOM 0 HB2 PHE A 9 16.320 -14.020 -6.209 1.00 74.24 H new ATOM 0 HB3 PHE A 9 15.867 -12.390 -6.668 1.00 74.24 H new ATOM 0 HD1 PHE A 9 13.308 -12.113 -7.360 1.00 11.23 H new ATOM 0 HD2 PHE A 9 14.835 -15.252 -4.918 1.00 44.24 H new ATOM 0 HE1 PHE A 9 11.066 -12.469 -6.418 1.00 3.12 H new ATOM 0 HE2 PHE A 9 12.595 -15.611 -3.975 1.00 41.33 H new ATOM 0 HZ PHE A 9 10.708 -14.217 -4.721 1.00 14.55 H new ATOM 153 N ARG A 10 16.070 -16.220 -8.135 1.00 65.40 N ATOM 154 CA ARG A 10 15.726 -17.630 -8.281 1.00 3.40 C ATOM 155 C ARG A 10 15.649 -18.314 -6.919 1.00 73.15 C ATOM 156 O ARG A 10 16.402 -17.985 -6.003 1.00 41.33 O ATOM 157 CB ARG A 10 16.756 -18.339 -9.163 1.00 33.35 C ATOM 158 CG ARG A 10 16.787 -17.829 -10.594 1.00 12.01 C ATOM 159 CD ARG A 10 17.872 -18.517 -11.407 1.00 71.12 C ATOM 160 NE ARG A 10 17.538 -18.574 -12.828 1.00 30.32 N ATOM 161 CZ ARG A 10 18.370 -19.023 -13.761 1.00 3.21 C ATOM 162 NH1 ARG A 10 19.579 -19.451 -13.425 1.00 62.21 N ATOM 163 NH2 ARG A 10 17.994 -19.044 -15.033 1.00 55.20 N ATOM 0 H ARG A 10 17.007 -16.050 -7.769 1.00 65.40 H new ATOM 0 HA ARG A 10 14.747 -17.693 -8.756 1.00 3.40 H new ATOM 0 HB2 ARG A 10 17.745 -18.217 -8.721 1.00 33.35 H new ATOM 0 HB3 ARG A 10 16.540 -19.407 -9.172 1.00 33.35 H new ATOM 0 HG2 ARG A 10 15.817 -17.998 -11.063 1.00 12.01 H new ATOM 0 HG3 ARG A 10 16.958 -16.753 -10.594 1.00 12.01 H new ATOM 0 HD2 ARG A 10 18.815 -17.985 -11.277 1.00 71.12 H new ATOM 0 HD3 ARG A 10 18.022 -19.528 -11.029 1.00 71.12 H new ATOM 0 HE ARG A 10 16.615 -18.251 -13.120 1.00 30.32 H new ATOM 0 HH11 ARG A 10 19.872 -19.436 -12.448 1.00 62.21 H new ATOM 0 HH12 ARG A 10 20.216 -19.795 -14.143 1.00 62.21 H new ATOM 0 HH21 ARG A 10 17.065 -18.715 -15.296 1.00 55.20 H new ATOM 0 HH22 ARG A 10 18.634 -19.389 -15.748 1.00 55.20 H new ATOM 177 N VAL A 11 14.732 -19.268 -6.794 1.00 72.50 N ATOM 178 CA VAL A 11 14.556 -20.000 -5.545 1.00 53.02 C ATOM 179 C VAL A 11 14.411 -21.496 -5.800 1.00 60.03 C ATOM 180 O VAL A 11 13.665 -21.916 -6.684 1.00 72.01 O ATOM 181 CB VAL A 11 13.321 -19.501 -4.772 1.00 10.44 C ATOM 182 CG1 VAL A 11 13.440 -18.013 -4.478 1.00 5.12 C ATOM 183 CG2 VAL A 11 12.049 -19.798 -5.550 1.00 74.14 C ATOM 0 H VAL A 11 14.100 -19.552 -7.542 1.00 72.50 H new ATOM 0 HA VAL A 11 15.448 -19.821 -4.945 1.00 53.02 H new ATOM 0 HB VAL A 11 13.271 -20.032 -3.822 1.00 10.44 H new ATOM 0 HG11 VAL A 11 12.558 -17.678 -3.931 1.00 5.12 H new ATOM 0 HG12 VAL A 11 14.331 -17.831 -3.876 1.00 5.12 H new ATOM 0 HG13 VAL A 11 13.516 -17.462 -5.415 1.00 5.12 H new ATOM 0 HG21 VAL A 11 11.187 -19.438 -4.989 1.00 74.14 H new ATOM 0 HG22 VAL A 11 12.088 -19.296 -6.516 1.00 74.14 H new ATOM 0 HG23 VAL A 11 11.959 -20.873 -5.704 1.00 74.14 H new ATOM 193 N ALA A 12 15.130 -22.296 -5.020 1.00 31.04 N ATOM 194 CA ALA A 12 15.080 -23.746 -5.159 1.00 71.11 C ATOM 195 C ALA A 12 14.596 -24.405 -3.872 1.00 32.01 C ATOM 196 O ALA A 12 15.200 -24.239 -2.812 1.00 63.33 O ATOM 197 CB ALA A 12 16.448 -24.286 -5.549 1.00 32.43 C ATOM 0 H ALA A 12 15.754 -21.964 -4.285 1.00 31.04 H new ATOM 0 HA ALA A 12 14.368 -23.986 -5.949 1.00 71.11 H new ATOM 0 HB1 ALA A 12 16.396 -25.370 -5.649 1.00 32.43 H new ATOM 0 HB2 ALA A 12 16.755 -23.848 -6.499 1.00 32.43 H new ATOM 0 HB3 ALA A 12 17.174 -24.027 -4.779 1.00 32.43 H new ATOM 203 N VAL A 13 13.501 -25.153 -3.971 1.00 1.44 N ATOM 204 CA VAL A 13 12.936 -25.837 -2.814 1.00 31.00 C ATOM 205 C VAL A 13 13.666 -27.147 -2.539 1.00 44.41 C ATOM 206 O VAL A 13 13.943 -27.919 -3.455 1.00 61.45 O ATOM 207 CB VAL A 13 11.437 -26.130 -3.012 1.00 72.04 C ATOM 208 CG1 VAL A 13 11.212 -26.924 -4.290 1.00 43.34 C ATOM 209 CG2 VAL A 13 10.876 -26.872 -1.809 1.00 15.23 C ATOM 0 H VAL A 13 12.988 -25.300 -4.840 1.00 1.44 H new ATOM 0 HA VAL A 13 13.059 -25.170 -1.961 1.00 31.00 H new ATOM 0 HB VAL A 13 10.909 -25.181 -3.104 1.00 72.04 H new ATOM 0 HG11 VAL A 13 10.147 -27.122 -4.413 1.00 43.34 H new ATOM 0 HG12 VAL A 13 11.576 -26.351 -5.143 1.00 43.34 H new ATOM 0 HG13 VAL A 13 11.752 -27.869 -4.231 1.00 43.34 H new ATOM 0 HG21 VAL A 13 9.816 -27.071 -1.966 1.00 15.23 H new ATOM 0 HG22 VAL A 13 11.407 -27.815 -1.683 1.00 15.23 H new ATOM 0 HG23 VAL A 13 11.002 -26.262 -0.914 1.00 15.23 H new ATOM 219 N GLY A 14 13.976 -27.390 -1.269 1.00 61.11 N ATOM 220 CA GLY A 14 14.672 -28.608 -0.896 1.00 12.24 C ATOM 221 C GLY A 14 14.336 -29.059 0.512 1.00 74.01 C ATOM 222 O GLY A 14 13.259 -28.757 1.027 1.00 32.50 O ATOM 0 H GLY A 14 13.758 -26.766 -0.492 1.00 61.11 H new ATOM 0 HA2 GLY A 14 14.414 -29.400 -1.599 1.00 12.24 H new ATOM 0 HA3 GLY A 14 15.747 -28.448 -0.976 1.00 12.24 H new ATOM 226 N ARG A 15 15.258 -29.785 1.135 1.00 31.10 N ATOM 227 CA ARG A 15 15.052 -30.281 2.490 1.00 25.44 C ATOM 228 C ARG A 15 16.280 -30.018 3.358 1.00 51.23 C ATOM 229 O ARG A 15 17.406 -30.330 2.969 1.00 53.41 O ATOM 230 CB ARG A 15 14.744 -31.780 2.466 1.00 12.54 C ATOM 231 CG ARG A 15 13.738 -32.177 1.399 1.00 71.14 C ATOM 232 CD ARG A 15 12.384 -31.528 1.639 1.00 11.14 C ATOM 233 NE ARG A 15 11.340 -32.517 1.891 1.00 75.32 N ATOM 234 CZ ARG A 15 10.780 -33.254 0.937 1.00 10.33 C ATOM 235 NH1 ARG A 15 11.163 -33.113 -0.324 1.00 61.22 N ATOM 236 NH2 ARG A 15 9.835 -34.133 1.245 1.00 64.40 N ATOM 0 H ARG A 15 16.155 -30.043 0.723 1.00 31.10 H new ATOM 0 HA ARG A 15 14.203 -29.749 2.920 1.00 25.44 H new ATOM 0 HB2 ARG A 15 15.671 -32.330 2.303 1.00 12.54 H new ATOM 0 HB3 ARG A 15 14.363 -32.080 3.442 1.00 12.54 H new ATOM 0 HG2 ARG A 15 14.113 -31.886 0.418 1.00 71.14 H new ATOM 0 HG3 ARG A 15 13.626 -33.261 1.389 1.00 71.14 H new ATOM 0 HD2 ARG A 15 12.453 -30.849 2.489 1.00 11.14 H new ATOM 0 HD3 ARG A 15 12.112 -30.926 0.772 1.00 11.14 H new ATOM 0 HE ARG A 15 11.023 -32.650 2.851 1.00 75.32 H new ATOM 0 HH11 ARG A 15 11.889 -32.438 -0.564 1.00 61.22 H new ATOM 0 HH12 ARG A 15 10.732 -33.680 -1.054 1.00 61.22 H new ATOM 0 HH21 ARG A 15 9.538 -34.244 2.214 1.00 64.40 H new ATOM 0 HH22 ARG A 15 9.406 -34.698 0.512 1.00 64.40 H new ATOM 250 N ASP A 16 16.054 -29.442 4.533 1.00 4.23 N ATOM 251 CA ASP A 16 17.141 -29.137 5.456 1.00 4.43 C ATOM 252 C ASP A 16 17.251 -30.206 6.539 1.00 43.30 C ATOM 253 O ASP A 16 16.540 -31.210 6.508 1.00 62.00 O ATOM 254 CB ASP A 16 16.925 -27.765 6.097 1.00 50.31 C ATOM 255 CG ASP A 16 15.544 -27.622 6.707 1.00 44.33 C ATOM 256 OD1 ASP A 16 15.453 -27.498 7.946 1.00 33.22 O ATOM 257 OD2 ASP A 16 14.556 -27.633 5.944 1.00 14.53 O ATOM 0 H ASP A 16 15.128 -29.177 4.869 1.00 4.23 H new ATOM 0 HA ASP A 16 18.072 -29.122 4.889 1.00 4.43 H new ATOM 0 HB2 ASP A 16 17.678 -27.605 6.869 1.00 50.31 H new ATOM 0 HB3 ASP A 16 17.069 -26.989 5.345 1.00 50.31 H new ATOM 262 N SER A 17 18.148 -29.983 7.495 1.00 53.13 N ATOM 263 CA SER A 17 18.354 -30.929 8.585 1.00 64.34 C ATOM 264 C SER A 17 17.144 -30.962 9.513 1.00 40.22 C ATOM 265 O SER A 17 16.878 -31.969 10.169 1.00 10.30 O ATOM 266 CB SER A 17 19.610 -30.560 9.378 1.00 73.34 C ATOM 267 OG SER A 17 20.117 -31.682 10.080 1.00 44.34 O ATOM 0 H SER A 17 18.743 -29.156 7.536 1.00 53.13 H new ATOM 0 HA SER A 17 18.484 -31.921 8.152 1.00 64.34 H new ATOM 0 HB2 SER A 17 20.372 -30.176 8.700 1.00 73.34 H new ATOM 0 HB3 SER A 17 19.378 -29.761 10.082 1.00 73.34 H new ATOM 0 HG SER A 17 20.920 -31.421 10.578 1.00 44.34 H new ATOM 273 N SER A 18 16.414 -29.852 9.562 1.00 70.21 N ATOM 274 CA SER A 18 15.234 -29.751 10.412 1.00 14.31 C ATOM 275 C SER A 18 14.028 -30.409 9.748 1.00 31.04 C ATOM 276 O SER A 18 13.294 -31.168 10.381 1.00 43.23 O ATOM 277 CB SER A 18 14.924 -28.284 10.718 1.00 30.12 C ATOM 278 OG SER A 18 14.203 -28.158 11.932 1.00 41.44 O ATOM 0 H SER A 18 16.619 -29.011 9.023 1.00 70.21 H new ATOM 0 HA SER A 18 15.443 -30.274 11.345 1.00 14.31 H new ATOM 0 HB2 SER A 18 15.854 -27.718 10.783 1.00 30.12 H new ATOM 0 HB3 SER A 18 14.345 -27.853 9.901 1.00 30.12 H new ATOM 0 HG SER A 18 14.019 -27.211 12.106 1.00 41.44 H new ATOM 284 N GLY A 19 13.830 -30.112 8.468 1.00 54.05 N ATOM 285 CA GLY A 19 12.712 -30.682 7.738 1.00 22.21 C ATOM 286 C GLY A 19 11.513 -29.756 7.697 1.00 1.22 C ATOM 287 O GLY A 19 10.378 -30.190 7.894 1.00 74.31 O ATOM 0 H GLY A 19 14.424 -29.487 7.923 1.00 54.05 H new ATOM 0 HA2 GLY A 19 13.026 -30.910 6.719 1.00 22.21 H new ATOM 0 HA3 GLY A 19 12.423 -31.625 8.201 1.00 22.21 H new ATOM 291 N CYS A 20 11.765 -28.477 7.443 1.00 14.51 N ATOM 292 CA CYS A 20 10.696 -27.485 7.380 1.00 64.33 C ATOM 293 C CYS A 20 10.547 -26.936 5.965 1.00 63.34 C ATOM 294 O CYS A 20 9.846 -25.950 5.740 1.00 54.52 O ATOM 295 CB CYS A 20 10.975 -26.342 8.357 1.00 53.14 C ATOM 296 SG CYS A 20 10.824 -26.805 10.098 1.00 72.42 S ATOM 0 H CYS A 20 12.699 -28.102 7.277 1.00 14.51 H new ATOM 0 HA CYS A 20 9.763 -27.974 7.661 1.00 64.33 H new ATOM 0 HB2 CYS A 20 11.982 -25.964 8.179 1.00 53.14 H new ATOM 0 HB3 CYS A 20 10.286 -25.524 8.149 1.00 53.14 H new ATOM 0 HG CYS A 20 10.087 -25.931 10.717 1.00 72.42 H new ATOM 302 N THR A 21 11.214 -27.581 5.012 1.00 73.21 N ATOM 303 CA THR A 21 11.158 -27.157 3.619 1.00 40.51 C ATOM 304 C THR A 21 11.624 -25.713 3.465 1.00 20.31 C ATOM 305 O THR A 21 10.847 -24.776 3.649 1.00 41.51 O ATOM 306 CB THR A 21 9.733 -27.288 3.048 1.00 4.40 C ATOM 307 OG1 THR A 21 9.189 -28.570 3.379 1.00 0.02 O ATOM 308 CG2 THR A 21 9.737 -27.107 1.538 1.00 71.35 C ATOM 0 H THR A 21 11.799 -28.399 5.180 1.00 73.21 H new ATOM 0 HA THR A 21 11.826 -27.814 3.062 1.00 40.51 H new ATOM 0 HB THR A 21 9.114 -26.507 3.490 1.00 4.40 H new ATOM 0 HG1 THR A 21 8.283 -28.645 3.014 1.00 0.02 H new ATOM 0 HG21 THR A 21 8.720 -27.204 1.157 1.00 71.35 H new ATOM 0 HG22 THR A 21 10.125 -26.119 1.291 1.00 71.35 H new ATOM 0 HG23 THR A 21 10.369 -27.869 1.082 1.00 71.35 H new ATOM 316 N THR A 22 12.898 -25.540 3.126 1.00 71.42 N ATOM 317 CA THR A 22 13.468 -24.211 2.948 1.00 54.14 C ATOM 318 C THR A 22 13.836 -23.961 1.490 1.00 71.44 C ATOM 319 O THR A 22 13.899 -24.893 0.686 1.00 30.13 O ATOM 320 CB THR A 22 14.720 -24.015 3.822 1.00 2.44 C ATOM 321 OG1 THR A 22 15.839 -24.686 3.233 1.00 23.45 O ATOM 322 CG2 THR A 22 14.486 -24.545 5.229 1.00 65.11 C ATOM 0 H THR A 22 13.555 -26.305 2.969 1.00 71.42 H new ATOM 0 HA THR A 22 12.704 -23.496 3.255 1.00 54.14 H new ATOM 0 HB THR A 22 14.930 -22.947 3.884 1.00 2.44 H new ATOM 0 HG1 THR A 22 16.455 -24.975 3.938 1.00 23.45 H new ATOM 0 HG21 THR A 22 15.384 -24.396 5.828 1.00 65.11 H new ATOM 0 HG22 THR A 22 13.653 -24.011 5.685 1.00 65.11 H new ATOM 0 HG23 THR A 22 14.253 -25.609 5.183 1.00 65.11 H new ATOM 330 N LEU A 23 14.079 -22.700 1.153 1.00 0.53 N ATOM 331 CA LEU A 23 14.442 -22.327 -0.210 1.00 24.34 C ATOM 332 C LEU A 23 15.663 -21.412 -0.217 1.00 71.42 C ATOM 333 O LEU A 23 15.652 -20.341 0.389 1.00 53.02 O ATOM 334 CB LEU A 23 13.267 -21.634 -0.901 1.00 31.14 C ATOM 335 CG LEU A 23 12.230 -22.554 -1.545 1.00 74.40 C ATOM 336 CD1 LEU A 23 11.521 -23.385 -0.486 1.00 3.42 C ATOM 337 CD2 LEU A 23 11.224 -21.744 -2.350 1.00 45.23 C ATOM 0 H LEU A 23 14.031 -21.917 1.805 1.00 0.53 H new ATOM 0 HA LEU A 23 14.690 -23.237 -0.756 1.00 24.34 H new ATOM 0 HB2 LEU A 23 12.761 -21.005 -0.169 1.00 31.14 H new ATOM 0 HB3 LEU A 23 13.663 -20.972 -1.671 1.00 31.14 H new ATOM 0 HG LEU A 23 12.747 -23.232 -2.224 1.00 74.40 H new ATOM 0 HD11 LEU A 23 10.787 -24.034 -0.964 1.00 3.42 H new ATOM 0 HD12 LEU A 23 12.251 -23.994 0.047 1.00 3.42 H new ATOM 0 HD13 LEU A 23 11.017 -22.723 0.218 1.00 3.42 H new ATOM 0 HD21 LEU A 23 10.494 -22.416 -2.801 1.00 45.23 H new ATOM 0 HD22 LEU A 23 10.713 -21.041 -1.692 1.00 45.23 H new ATOM 0 HD23 LEU A 23 11.744 -21.194 -3.134 1.00 45.23 H new ATOM 349 N SER A 24 16.714 -21.842 -0.909 1.00 55.41 N ATOM 350 CA SER A 24 17.943 -21.062 -0.995 1.00 12.24 C ATOM 351 C SER A 24 17.879 -20.072 -2.154 1.00 14.13 C ATOM 352 O SER A 24 17.458 -20.419 -3.258 1.00 4.11 O ATOM 353 CB SER A 24 19.148 -21.988 -1.166 1.00 43.02 C ATOM 354 OG SER A 24 20.202 -21.621 -0.293 1.00 10.23 O ATOM 0 H SER A 24 16.739 -22.726 -1.418 1.00 55.41 H new ATOM 0 HA SER A 24 18.054 -20.501 -0.067 1.00 12.24 H new ATOM 0 HB2 SER A 24 18.850 -23.018 -0.968 1.00 43.02 H new ATOM 0 HB3 SER A 24 19.497 -21.949 -2.198 1.00 43.02 H new ATOM 0 HG SER A 24 20.140 -20.664 -0.090 1.00 10.23 H new ATOM 360 N ILE A 25 18.298 -18.838 -1.894 1.00 21.23 N ATOM 361 CA ILE A 25 18.290 -17.798 -2.915 1.00 15.14 C ATOM 362 C ILE A 25 19.656 -17.669 -3.579 1.00 51.32 C ATOM 363 O ILE A 25 20.683 -17.625 -2.903 1.00 64.34 O ATOM 364 CB ILE A 25 17.887 -16.433 -2.325 1.00 21.44 C ATOM 365 CG1 ILE A 25 16.821 -16.616 -1.242 1.00 51.34 C ATOM 366 CG2 ILE A 25 17.382 -15.510 -3.423 1.00 2.41 C ATOM 367 CD1 ILE A 25 15.577 -17.323 -1.733 1.00 22.44 C ATOM 0 H ILE A 25 18.647 -18.534 -0.985 1.00 21.23 H new ATOM 0 HA ILE A 25 17.553 -18.094 -3.661 1.00 15.14 H new ATOM 0 HB ILE A 25 18.766 -15.976 -1.870 1.00 21.44 H new ATOM 0 HG12 ILE A 25 17.249 -17.182 -0.415 1.00 51.34 H new ATOM 0 HG13 ILE A 25 16.542 -15.638 -0.849 1.00 51.34 H new ATOM 0 HG21 ILE A 25 17.101 -14.550 -2.991 1.00 2.41 H new ATOM 0 HG22 ILE A 25 18.169 -15.359 -4.162 1.00 2.41 H new ATOM 0 HG23 ILE A 25 16.513 -15.959 -3.905 1.00 2.41 H new ATOM 0 HD11 ILE A 25 14.865 -17.418 -0.913 1.00 22.44 H new ATOM 0 HD12 ILE A 25 15.126 -16.747 -2.541 1.00 22.44 H new ATOM 0 HD13 ILE A 25 15.843 -18.315 -2.100 1.00 22.44 H new ATOM 379 N GLN A 26 19.659 -17.606 -4.907 1.00 35.02 N ATOM 380 CA GLN A 26 20.899 -17.480 -5.663 1.00 21.43 C ATOM 381 C GLN A 26 21.242 -16.014 -5.906 1.00 71.45 C ATOM 382 O GLN A 26 22.410 -15.658 -6.059 1.00 74.04 O ATOM 383 CB GLN A 26 20.785 -18.219 -6.998 1.00 13.54 C ATOM 384 CG GLN A 26 21.054 -19.711 -6.892 1.00 54.05 C ATOM 385 CD GLN A 26 19.780 -20.530 -6.816 1.00 10.51 C ATOM 386 OE1 GLN A 26 19.114 -20.568 -5.781 1.00 2.22 O ATOM 387 NE2 GLN A 26 19.434 -21.190 -7.915 1.00 34.25 N ATOM 0 H GLN A 26 18.817 -17.640 -5.481 1.00 35.02 H new ATOM 0 HA GLN A 26 21.700 -17.928 -5.076 1.00 21.43 H new ATOM 0 HB2 GLN A 26 19.785 -18.066 -7.404 1.00 13.54 H new ATOM 0 HB3 GLN A 26 21.487 -17.781 -7.707 1.00 13.54 H new ATOM 0 HG2 GLN A 26 21.638 -20.033 -7.754 1.00 54.05 H new ATOM 0 HG3 GLN A 26 21.660 -19.905 -6.007 1.00 54.05 H new ATOM 0 HE21 GLN A 26 20.016 -21.130 -8.751 1.00 34.25 H new ATOM 0 HE22 GLN A 26 18.586 -21.757 -7.924 1.00 34.25 H new ATOM 396 N GLU A 27 20.216 -15.170 -5.942 1.00 11.33 N ATOM 397 CA GLU A 27 20.410 -13.742 -6.168 1.00 71.44 C ATOM 398 C GLU A 27 19.712 -12.920 -5.089 1.00 33.21 C ATOM 399 O GLU A 27 19.269 -13.457 -4.073 1.00 55.24 O ATOM 400 CB GLU A 27 19.881 -13.346 -7.549 1.00 23.15 C ATOM 401 CG GLU A 27 20.882 -12.563 -8.382 1.00 30.12 C ATOM 402 CD GLU A 27 21.085 -13.159 -9.761 1.00 64.12 C ATOM 403 OE1 GLU A 27 22.251 -13.253 -10.200 1.00 71.21 O ATOM 404 OE2 GLU A 27 20.080 -13.531 -10.402 1.00 1.13 O ATOM 0 H GLU A 27 19.243 -15.449 -5.818 1.00 11.33 H new ATOM 0 HA GLU A 27 21.479 -13.535 -6.123 1.00 71.44 H new ATOM 0 HB2 GLU A 27 19.595 -14.247 -8.092 1.00 23.15 H new ATOM 0 HB3 GLU A 27 18.978 -12.749 -7.425 1.00 23.15 H new ATOM 0 HG2 GLU A 27 20.539 -11.533 -8.482 1.00 30.12 H new ATOM 0 HG3 GLU A 27 21.838 -12.531 -7.860 1.00 30.12 H new ATOM 411 N VAL A 28 19.618 -11.614 -5.316 1.00 42.21 N ATOM 412 CA VAL A 28 18.974 -10.717 -4.364 1.00 40.44 C ATOM 413 C VAL A 28 17.822 -9.960 -5.016 1.00 12.03 C ATOM 414 O VAL A 28 17.948 -9.454 -6.132 1.00 35.44 O ATOM 415 CB VAL A 28 19.976 -9.702 -3.783 1.00 3.12 C ATOM 416 CG1 VAL A 28 20.838 -10.355 -2.713 1.00 70.41 C ATOM 417 CG2 VAL A 28 20.840 -9.113 -4.888 1.00 54.12 C ATOM 0 H VAL A 28 19.980 -11.153 -6.151 1.00 42.21 H new ATOM 0 HA VAL A 28 18.587 -11.338 -3.556 1.00 40.44 H new ATOM 0 HB VAL A 28 19.416 -8.890 -3.320 1.00 3.12 H new ATOM 0 HG11 VAL A 28 21.540 -9.623 -2.314 1.00 70.41 H new ATOM 0 HG12 VAL A 28 20.202 -10.724 -1.908 1.00 70.41 H new ATOM 0 HG13 VAL A 28 21.391 -11.187 -3.149 1.00 70.41 H new ATOM 0 HG21 VAL A 28 21.542 -8.398 -4.459 1.00 54.12 H new ATOM 0 HG22 VAL A 28 21.393 -9.912 -5.383 1.00 54.12 H new ATOM 0 HG23 VAL A 28 20.205 -8.607 -5.615 1.00 54.12 H new ATOM 427 N THR A 29 16.697 -9.885 -4.311 1.00 52.00 N ATOM 428 CA THR A 29 15.521 -9.191 -4.820 1.00 50.42 C ATOM 429 C THR A 29 15.138 -8.023 -3.918 1.00 23.12 C ATOM 430 O THR A 29 14.200 -7.283 -4.211 1.00 41.31 O ATOM 431 CB THR A 29 14.317 -10.143 -4.947 1.00 20.14 C ATOM 432 OG1 THR A 29 13.137 -9.400 -5.271 1.00 73.24 O ATOM 433 CG2 THR A 29 14.098 -10.913 -3.653 1.00 51.00 C ATOM 0 H THR A 29 16.576 -10.297 -3.386 1.00 52.00 H new ATOM 0 HA THR A 29 15.781 -8.813 -5.809 1.00 50.42 H new ATOM 0 HB THR A 29 14.527 -10.855 -5.745 1.00 20.14 H new ATOM 0 HG1 THR A 29 13.322 -8.441 -5.192 1.00 73.24 H new ATOM 0 HG21 THR A 29 13.243 -11.579 -3.766 1.00 51.00 H new ATOM 0 HG22 THR A 29 14.987 -11.500 -3.424 1.00 51.00 H new ATOM 0 HG23 THR A 29 13.907 -10.212 -2.840 1.00 51.00 H new ATOM 441 N GLN A 30 15.871 -7.865 -2.820 1.00 51.43 N ATOM 442 CA GLN A 30 15.607 -6.786 -1.875 1.00 52.14 C ATOM 443 C GLN A 30 16.409 -5.539 -2.234 1.00 71.42 C ATOM 444 O GLN A 30 16.497 -4.596 -1.447 1.00 74.04 O ATOM 445 CB GLN A 30 15.945 -7.232 -0.452 1.00 20.31 C ATOM 446 CG GLN A 30 14.930 -8.196 0.141 1.00 72.01 C ATOM 447 CD GLN A 30 14.693 -7.958 1.619 1.00 23.13 C ATOM 448 OE1 GLN A 30 13.935 -7.067 2.003 1.00 73.30 O ATOM 449 NE2 GLN A 30 15.343 -8.756 2.459 1.00 41.31 N ATOM 0 H GLN A 30 16.651 -8.470 -2.563 1.00 51.43 H new ATOM 0 HA GLN A 30 14.546 -6.541 -1.929 1.00 52.14 H new ATOM 0 HB2 GLN A 30 16.927 -7.706 -0.452 1.00 20.31 H new ATOM 0 HB3 GLN A 30 16.016 -6.353 0.188 1.00 20.31 H new ATOM 0 HG2 GLN A 30 13.986 -8.098 -0.395 1.00 72.01 H new ATOM 0 HG3 GLN A 30 15.276 -9.219 -0.007 1.00 72.01 H new ATOM 0 HE21 GLN A 30 15.962 -9.482 2.097 1.00 41.31 H new ATOM 0 HE22 GLN A 30 15.223 -8.643 3.466 1.00 41.31 H new ATOM 458 N THR A 31 16.994 -5.541 -3.428 1.00 23.41 N ATOM 459 CA THR A 31 17.791 -4.412 -3.891 1.00 14.04 C ATOM 460 C THR A 31 17.105 -3.692 -5.046 1.00 34.20 C ATOM 461 O THR A 31 17.733 -2.919 -5.769 1.00 62.24 O ATOM 462 CB THR A 31 19.194 -4.861 -4.341 1.00 13.22 C ATOM 463 OG1 THR A 31 19.136 -6.189 -4.872 1.00 21.30 O ATOM 464 CG2 THR A 31 20.175 -4.816 -3.179 1.00 51.43 C ATOM 0 H THR A 31 16.931 -6.313 -4.092 1.00 23.41 H new ATOM 0 HA THR A 31 17.890 -3.728 -3.048 1.00 14.04 H new ATOM 0 HB THR A 31 19.540 -4.176 -5.115 1.00 13.22 H new ATOM 0 HG1 THR A 31 20.031 -6.467 -5.157 1.00 21.30 H new ATOM 0 HG21 THR A 31 21.159 -5.137 -3.521 1.00 51.43 H new ATOM 0 HG22 THR A 31 20.239 -3.798 -2.796 1.00 51.43 H new ATOM 0 HG23 THR A 31 19.831 -5.481 -2.387 1.00 51.43 H new ATOM 472 N TYR A 32 15.812 -3.950 -5.214 1.00 24.14 N ATOM 473 CA TYR A 32 15.041 -3.328 -6.283 1.00 42.51 C ATOM 474 C TYR A 32 13.849 -2.560 -5.719 1.00 44.24 C ATOM 475 O TYR A 32 13.378 -2.842 -4.617 1.00 50.22 O ATOM 476 CB TYR A 32 14.557 -4.387 -7.274 1.00 50.04 C ATOM 477 CG TYR A 32 15.654 -4.933 -8.161 1.00 35.24 C ATOM 478 CD1 TYR A 32 16.245 -4.140 -9.136 1.00 4.43 C ATOM 479 CD2 TYR A 32 16.097 -6.243 -8.024 1.00 0.31 C ATOM 480 CE1 TYR A 32 17.247 -4.634 -9.948 1.00 62.42 C ATOM 481 CE2 TYR A 32 17.099 -6.745 -8.831 1.00 21.41 C ATOM 482 CZ TYR A 32 17.671 -5.938 -9.792 1.00 11.43 C ATOM 483 OH TYR A 32 18.668 -6.435 -10.599 1.00 24.15 O ATOM 0 H TYR A 32 15.276 -4.586 -4.623 1.00 24.14 H new ATOM 0 HA TYR A 32 15.691 -2.624 -6.803 1.00 42.51 H new ATOM 0 HB2 TYR A 32 14.105 -5.210 -6.721 1.00 50.04 H new ATOM 0 HB3 TYR A 32 13.776 -3.956 -7.900 1.00 50.04 H new ATOM 0 HD1 TYR A 32 15.915 -3.119 -9.261 1.00 4.43 H new ATOM 0 HD2 TYR A 32 15.650 -6.879 -7.274 1.00 0.31 H new ATOM 0 HE1 TYR A 32 17.696 -4.003 -10.701 1.00 62.42 H new ATOM 0 HE2 TYR A 32 17.433 -7.765 -8.710 1.00 21.41 H new ATOM 0 HH TYR A 32 18.849 -7.368 -10.359 1.00 24.15 H new ATOM 493 N THR A 33 13.365 -1.586 -6.485 1.00 22.42 N ATOM 494 CA THR A 33 12.229 -0.776 -6.064 1.00 22.53 C ATOM 495 C THR A 33 11.582 -0.077 -7.253 1.00 51.42 C ATOM 496 O THR A 33 12.195 0.068 -8.310 1.00 4.54 O ATOM 497 CB THR A 33 12.648 0.282 -5.025 1.00 73.35 C ATOM 498 OG1 THR A 33 14.024 0.103 -4.671 1.00 75.01 O ATOM 499 CG2 THR A 33 11.781 0.189 -3.778 1.00 64.45 C ATOM 0 H THR A 33 13.743 -1.340 -7.400 1.00 22.42 H new ATOM 0 HA THR A 33 11.508 -1.455 -5.609 1.00 22.53 H new ATOM 0 HB THR A 33 12.513 1.268 -5.469 1.00 73.35 H new ATOM 0 HG1 THR A 33 14.201 0.542 -3.813 1.00 75.01 H new ATOM 0 HG21 THR A 33 12.095 0.945 -3.059 1.00 64.45 H new ATOM 0 HG22 THR A 33 10.738 0.355 -4.047 1.00 64.45 H new ATOM 0 HG23 THR A 33 11.888 -0.801 -3.334 1.00 64.45 H new ATOM 507 N GLY A 34 10.338 0.357 -7.074 1.00 34.31 N ATOM 508 CA GLY A 34 9.628 1.037 -8.141 1.00 41.14 C ATOM 509 C GLY A 34 8.324 1.650 -7.672 1.00 13.21 C ATOM 510 O GLY A 34 7.914 2.704 -8.159 1.00 61.45 O ATOM 0 H GLY A 34 9.809 0.250 -6.208 1.00 34.31 H new ATOM 0 HA2 GLY A 34 10.264 1.818 -8.556 1.00 41.14 H new ATOM 0 HA3 GLY A 34 9.425 0.330 -8.946 1.00 41.14 H new ATOM 514 N SER A 35 7.668 0.989 -6.723 1.00 64.22 N ATOM 515 CA SER A 35 6.400 1.472 -6.192 1.00 14.45 C ATOM 516 C SER A 35 6.587 2.075 -4.803 1.00 1.43 C ATOM 517 O SER A 35 7.101 1.423 -3.895 1.00 41.11 O ATOM 518 CB SER A 35 5.380 0.333 -6.132 1.00 2.21 C ATOM 519 OG SER A 35 4.303 0.565 -7.023 1.00 42.42 O ATOM 0 H SER A 35 7.995 0.117 -6.306 1.00 64.22 H new ATOM 0 HA SER A 35 6.028 2.249 -6.860 1.00 14.45 H new ATOM 0 HB2 SER A 35 5.867 -0.609 -6.383 1.00 2.21 H new ATOM 0 HB3 SER A 35 5.000 0.234 -5.115 1.00 2.21 H new ATOM 0 HG SER A 35 4.257 -0.163 -7.677 1.00 42.42 H new ATOM 525 N ASN A 36 6.166 3.326 -4.646 1.00 0.31 N ATOM 526 CA ASN A 36 6.288 4.019 -3.368 1.00 55.13 C ATOM 527 C ASN A 36 7.751 4.151 -2.958 1.00 41.53 C ATOM 528 O ASN A 36 8.093 4.013 -1.785 1.00 11.13 O ATOM 529 CB ASN A 36 5.508 3.273 -2.284 1.00 11.13 C ATOM 530 CG ASN A 36 4.799 4.215 -1.330 1.00 2.14 C ATOM 531 OD1 ASN A 36 5.413 5.119 -0.762 1.00 32.33 O ATOM 532 ND2 ASN A 36 3.500 4.007 -1.149 1.00 41.11 N ATOM 0 H ASN A 36 5.738 3.880 -5.387 1.00 0.31 H new ATOM 0 HA ASN A 36 5.870 5.019 -3.484 1.00 55.13 H new ATOM 0 HB2 ASN A 36 4.775 2.617 -2.754 1.00 11.13 H new ATOM 0 HB3 ASN A 36 6.191 2.637 -1.721 1.00 11.13 H new ATOM 0 HD21 ASN A 36 2.970 4.609 -0.518 1.00 41.11 H new ATOM 0 HD22 ASN A 36 3.032 3.246 -1.641 1.00 41.11 H new ATOM 539 N GLY A 37 8.612 4.421 -3.935 1.00 52.23 N ATOM 540 CA GLY A 37 10.028 4.568 -3.656 1.00 44.44 C ATOM 541 C GLY A 37 10.854 4.733 -4.917 1.00 74.52 C ATOM 542 O GLY A 37 11.333 5.825 -5.216 1.00 4.34 O ATOM 0 H GLY A 37 8.354 4.540 -4.914 1.00 52.23 H new ATOM 0 HA2 GLY A 37 10.180 5.433 -3.010 1.00 44.44 H new ATOM 0 HA3 GLY A 37 10.379 3.694 -3.107 1.00 44.44 H new ATOM 546 N GLY A 38 11.021 3.642 -5.659 1.00 40.15 N ATOM 547 CA GLY A 38 11.796 3.691 -6.885 1.00 41.04 C ATOM 548 C GLY A 38 13.284 3.820 -6.626 1.00 11.20 C ATOM 549 O GLY A 38 14.026 4.323 -7.469 1.00 64.50 O ATOM 0 H GLY A 38 10.634 2.726 -5.433 1.00 40.15 H new ATOM 0 HA2 GLY A 38 11.608 2.788 -7.466 1.00 41.04 H new ATOM 0 HA3 GLY A 38 11.461 4.534 -7.489 1.00 41.04 H new ATOM 553 N ALA A 39 13.720 3.367 -5.455 1.00 44.23 N ATOM 554 CA ALA A 39 15.129 3.434 -5.087 1.00 42.33 C ATOM 555 C ALA A 39 15.832 2.109 -5.360 1.00 74.34 C ATOM 556 O ALA A 39 16.436 1.520 -4.464 1.00 62.42 O ATOM 557 CB ALA A 39 15.274 3.819 -3.622 1.00 63.24 C ATOM 0 H ALA A 39 13.118 2.950 -4.745 1.00 44.23 H new ATOM 0 HA ALA A 39 15.603 4.199 -5.701 1.00 42.33 H new ATOM 0 HB1 ALA A 39 16.331 3.865 -3.361 1.00 63.24 H new ATOM 0 HB2 ALA A 39 14.816 4.794 -3.455 1.00 63.24 H new ATOM 0 HB3 ALA A 39 14.779 3.074 -2.999 1.00 63.24 H new ATOM 563 N ASP A 40 15.747 1.645 -6.602 1.00 62.32 N ATOM 564 CA ASP A 40 16.375 0.388 -6.993 1.00 44.13 C ATOM 565 C ASP A 40 17.896 0.513 -6.980 1.00 13.24 C ATOM 566 O ASP A 40 18.478 1.222 -7.802 1.00 25.15 O ATOM 567 CB ASP A 40 15.899 -0.034 -8.384 1.00 34.11 C ATOM 568 CG ASP A 40 16.259 0.980 -9.452 1.00 34.21 C ATOM 569 OD1 ASP A 40 17.217 0.726 -10.212 1.00 54.33 O ATOM 570 OD2 ASP A 40 15.582 2.026 -9.528 1.00 52.31 O ATOM 0 H ASP A 40 15.250 2.120 -7.355 1.00 62.32 H new ATOM 0 HA ASP A 40 16.084 -0.374 -6.270 1.00 44.13 H new ATOM 0 HB2 ASP A 40 16.340 -0.998 -8.639 1.00 34.11 H new ATOM 0 HB3 ASP A 40 14.818 -0.172 -8.368 1.00 34.11 H new ATOM 575 N LEU A 41 18.533 -0.178 -6.041 1.00 34.11 N ATOM 576 CA LEU A 41 19.986 -0.144 -5.919 1.00 51.10 C ATOM 577 C LEU A 41 20.453 -0.989 -4.738 1.00 63.14 C ATOM 578 O LEU A 41 19.692 -1.790 -4.196 1.00 4.31 O ATOM 579 CB LEU A 41 20.470 1.298 -5.752 1.00 74.42 C ATOM 580 CG LEU A 41 21.634 1.723 -6.647 1.00 65.50 C ATOM 581 CD1 LEU A 41 21.130 2.532 -7.832 1.00 30.23 C ATOM 582 CD2 LEU A 41 22.656 2.521 -5.850 1.00 31.42 C ATOM 0 H LEU A 41 18.066 -0.769 -5.353 1.00 34.11 H new ATOM 0 HA LEU A 41 20.412 -0.561 -6.831 1.00 51.10 H new ATOM 0 HB2 LEU A 41 19.630 1.966 -5.941 1.00 74.42 H new ATOM 0 HB3 LEU A 41 20.765 1.443 -4.713 1.00 74.42 H new ATOM 0 HG LEU A 41 22.120 0.825 -7.028 1.00 65.50 H new ATOM 0 HD11 LEU A 41 21.973 2.825 -8.457 1.00 30.23 H new ATOM 0 HD12 LEU A 41 20.437 1.927 -8.417 1.00 30.23 H new ATOM 0 HD13 LEU A 41 20.618 3.424 -7.472 1.00 30.23 H new ATOM 0 HD21 LEU A 41 23.478 2.815 -6.503 1.00 31.42 H new ATOM 0 HD22 LEU A 41 22.182 3.412 -5.440 1.00 31.42 H new ATOM 0 HD23 LEU A 41 23.042 1.908 -5.036 1.00 31.42 H new ATOM 594 N MET A 42 21.709 -0.803 -4.345 1.00 20.23 N ATOM 595 CA MET A 42 22.277 -1.546 -3.226 1.00 35.44 C ATOM 596 C MET A 42 22.577 -0.618 -2.053 1.00 70.21 C ATOM 597 O MET A 42 23.374 0.311 -2.173 1.00 24.11 O ATOM 598 CB MET A 42 23.554 -2.268 -3.660 1.00 74.12 C ATOM 599 CG MET A 42 23.325 -3.306 -4.747 1.00 44.22 C ATOM 600 SD MET A 42 24.644 -3.325 -5.977 1.00 54.33 S ATOM 601 CE MET A 42 24.951 -5.084 -6.117 1.00 52.33 C ATOM 0 H MET A 42 22.352 -0.145 -4.784 1.00 20.23 H new ATOM 0 HA MET A 42 21.543 -2.284 -2.903 1.00 35.44 H new ATOM 0 HB2 MET A 42 24.274 -1.532 -4.018 1.00 74.12 H new ATOM 0 HB3 MET A 42 23.999 -2.755 -2.792 1.00 74.12 H new ATOM 0 HG2 MET A 42 23.244 -4.293 -4.291 1.00 44.22 H new ATOM 0 HG3 MET A 42 22.375 -3.105 -5.242 1.00 44.22 H new ATOM 0 HE1 MET A 42 25.745 -5.258 -6.844 1.00 52.33 H new ATOM 0 HE2 MET A 42 25.254 -5.479 -5.147 1.00 52.33 H new ATOM 0 HE3 MET A 42 24.042 -5.587 -6.446 1.00 52.33 H new ATOM 611 N GLY A 43 21.932 -0.876 -0.919 1.00 63.31 N ATOM 612 CA GLY A 43 22.144 -0.055 0.258 1.00 1.42 C ATOM 613 C GLY A 43 21.620 -0.707 1.522 1.00 4.23 C ATOM 614 O GLY A 43 22.383 -1.094 2.408 1.00 34.31 O ATOM 0 H GLY A 43 21.267 -1.639 -0.795 1.00 63.31 H new ATOM 0 HA2 GLY A 43 23.210 0.145 0.371 1.00 1.42 H new ATOM 0 HA3 GLY A 43 21.652 0.908 0.119 1.00 1.42 H new ATOM 618 N PRO A 44 20.289 -0.834 1.619 1.00 74.40 N ATOM 619 CA PRO A 44 19.634 -1.443 2.781 1.00 60.01 C ATOM 620 C PRO A 44 19.882 -2.945 2.865 1.00 24.14 C ATOM 621 O PRO A 44 19.533 -3.587 3.856 1.00 41.33 O ATOM 622 CB PRO A 44 18.149 -1.159 2.540 1.00 22.24 C ATOM 623 CG PRO A 44 18.027 -1.008 1.063 1.00 33.34 C ATOM 624 CD PRO A 44 19.319 -0.395 0.601 1.00 4.12 C ATOM 0 HA PRO A 44 20.013 -1.040 3.720 1.00 60.01 H new ATOM 0 HB2 PRO A 44 17.525 -1.974 2.907 1.00 22.24 H new ATOM 0 HB3 PRO A 44 17.830 -0.255 3.058 1.00 22.24 H new ATOM 0 HG2 PRO A 44 17.860 -1.973 0.585 1.00 33.34 H new ATOM 0 HG3 PRO A 44 17.180 -0.373 0.804 1.00 33.34 H new ATOM 0 HD2 PRO A 44 19.596 -0.743 -0.394 1.00 4.12 H new ATOM 0 HD3 PRO A 44 19.253 0.692 0.551 1.00 4.12 H new ATOM 632 N ALA A 45 20.488 -3.500 1.821 1.00 40.25 N ATOM 633 CA ALA A 45 20.785 -4.926 1.778 1.00 22.24 C ATOM 634 C ALA A 45 21.810 -5.305 2.843 1.00 74.25 C ATOM 635 O ALA A 45 21.626 -6.275 3.578 1.00 34.21 O ATOM 636 CB ALA A 45 21.286 -5.320 0.397 1.00 61.32 C ATOM 0 H ALA A 45 20.783 -2.983 0.993 1.00 40.25 H new ATOM 0 HA ALA A 45 19.864 -5.470 1.987 1.00 22.24 H new ATOM 0 HB1 ALA A 45 21.504 -6.388 0.380 1.00 61.32 H new ATOM 0 HB2 ALA A 45 20.521 -5.094 -0.346 1.00 61.32 H new ATOM 0 HB3 ALA A 45 22.193 -4.761 0.166 1.00 61.32 H new ATOM 642 N PHE A 46 22.890 -4.535 2.919 1.00 55.53 N ATOM 643 CA PHE A 46 23.945 -4.791 3.892 1.00 15.13 C ATOM 644 C PHE A 46 23.478 -4.446 5.304 1.00 73.25 C ATOM 645 O PHE A 46 24.068 -4.888 6.289 1.00 12.41 O ATOM 646 CB PHE A 46 25.196 -3.982 3.545 1.00 52.40 C ATOM 647 CG PHE A 46 26.464 -4.575 4.089 1.00 73.42 C ATOM 648 CD1 PHE A 46 27.332 -3.810 4.849 1.00 4.44 C ATOM 649 CD2 PHE A 46 26.787 -5.899 3.839 1.00 62.33 C ATOM 650 CE1 PHE A 46 28.500 -4.353 5.352 1.00 51.13 C ATOM 651 CE2 PHE A 46 27.953 -6.448 4.339 1.00 71.24 C ATOM 652 CZ PHE A 46 28.811 -5.674 5.095 1.00 51.20 C ATOM 0 H PHE A 46 23.058 -3.728 2.318 1.00 55.53 H new ATOM 0 HA PHE A 46 24.187 -5.853 3.857 1.00 15.13 H new ATOM 0 HB2 PHE A 46 25.278 -3.902 2.461 1.00 52.40 H new ATOM 0 HB3 PHE A 46 25.083 -2.969 3.932 1.00 52.40 H new ATOM 0 HD1 PHE A 46 27.094 -2.776 5.052 1.00 4.44 H new ATOM 0 HD2 PHE A 46 26.121 -6.509 3.247 1.00 62.33 H new ATOM 0 HE1 PHE A 46 29.168 -3.745 5.945 1.00 51.13 H new ATOM 0 HE2 PHE A 46 28.193 -7.482 4.138 1.00 71.24 H new ATOM 0 HZ PHE A 46 29.723 -6.101 5.485 1.00 51.20 H new ATOM 662 N ALA A 47 22.414 -3.654 5.392 1.00 43.04 N ATOM 663 CA ALA A 47 21.867 -3.251 6.681 1.00 52.32 C ATOM 664 C ALA A 47 21.123 -4.404 7.346 1.00 3.24 C ATOM 665 O ALA A 47 21.177 -4.569 8.565 1.00 45.23 O ATOM 666 CB ALA A 47 20.944 -2.053 6.511 1.00 72.10 C ATOM 0 H ALA A 47 21.914 -3.279 4.586 1.00 43.04 H new ATOM 0 HA ALA A 47 22.697 -2.968 7.328 1.00 52.32 H new ATOM 0 HB1 ALA A 47 20.542 -1.762 7.482 1.00 72.10 H new ATOM 0 HB2 ALA A 47 21.504 -1.220 6.086 1.00 72.10 H new ATOM 0 HB3 ALA A 47 20.124 -2.317 5.843 1.00 72.10 H new ATOM 672 N ALA A 48 20.429 -5.199 6.539 1.00 52.42 N ATOM 673 CA ALA A 48 19.675 -6.337 7.050 1.00 44.02 C ATOM 674 C ALA A 48 20.498 -7.619 6.974 1.00 5.52 C ATOM 675 O ALA A 48 20.242 -8.576 7.703 1.00 62.35 O ATOM 676 CB ALA A 48 18.374 -6.497 6.279 1.00 75.32 C ATOM 0 H ALA A 48 20.373 -5.076 5.528 1.00 52.42 H new ATOM 0 HA ALA A 48 19.443 -6.147 8.098 1.00 44.02 H new ATOM 0 HB1 ALA A 48 17.821 -7.351 6.671 1.00 75.32 H new ATOM 0 HB2 ALA A 48 17.773 -5.594 6.388 1.00 75.32 H new ATOM 0 HB3 ALA A 48 18.594 -6.661 5.224 1.00 75.32 H new ATOM 682 N GLY A 49 21.489 -7.629 6.087 1.00 73.21 N ATOM 683 CA GLY A 49 22.334 -8.799 5.932 1.00 14.12 C ATOM 684 C GLY A 49 21.828 -9.742 4.858 1.00 14.44 C ATOM 685 O GLY A 49 22.312 -10.867 4.731 1.00 0.00 O ATOM 0 H GLY A 49 21.721 -6.848 5.473 1.00 73.21 H new ATOM 0 HA2 GLY A 49 23.347 -8.481 5.684 1.00 14.12 H new ATOM 0 HA3 GLY A 49 22.390 -9.331 6.882 1.00 14.12 H new ATOM 689 N LEU A 50 20.850 -9.284 4.085 1.00 53.25 N ATOM 690 CA LEU A 50 20.276 -10.095 3.016 1.00 32.15 C ATOM 691 C LEU A 50 21.283 -10.305 1.891 1.00 44.34 C ATOM 692 O LEU A 50 21.639 -9.365 1.180 1.00 44.32 O ATOM 693 CB LEU A 50 19.012 -9.431 2.468 1.00 53.01 C ATOM 694 CG LEU A 50 19.137 -7.953 2.096 1.00 63.11 C ATOM 695 CD1 LEU A 50 19.263 -7.791 0.589 1.00 15.20 C ATOM 696 CD2 LEU A 50 17.945 -7.168 2.622 1.00 53.44 C ATOM 0 H LEU A 50 20.438 -8.356 4.178 1.00 53.25 H new ATOM 0 HA LEU A 50 20.016 -11.069 3.432 1.00 32.15 H new ATOM 0 HB2 LEU A 50 18.691 -9.982 1.584 1.00 53.01 H new ATOM 0 HB3 LEU A 50 18.221 -9.532 3.211 1.00 53.01 H new ATOM 0 HG LEU A 50 20.040 -7.556 2.560 1.00 63.11 H new ATOM 0 HD11 LEU A 50 19.351 -6.733 0.343 1.00 15.20 H new ATOM 0 HD12 LEU A 50 20.150 -8.320 0.239 1.00 15.20 H new ATOM 0 HD13 LEU A 50 18.379 -8.204 0.103 1.00 15.20 H new ATOM 0 HD21 LEU A 50 18.051 -6.118 2.348 1.00 53.44 H new ATOM 0 HD22 LEU A 50 17.027 -7.565 2.188 1.00 53.44 H new ATOM 0 HD23 LEU A 50 17.901 -7.257 3.707 1.00 53.44 H new ATOM 708 N ARG A 51 21.737 -11.544 1.733 1.00 5.21 N ATOM 709 CA ARG A 51 22.703 -11.877 0.693 1.00 61.01 C ATOM 710 C ARG A 51 22.411 -13.252 0.100 1.00 31.53 C ATOM 711 O ARG A 51 21.739 -14.077 0.720 1.00 72.11 O ATOM 712 CB ARG A 51 24.125 -11.845 1.257 1.00 15.35 C ATOM 713 CG ARG A 51 24.778 -10.475 1.183 1.00 4.42 C ATOM 714 CD ARG A 51 25.794 -10.403 0.054 1.00 43.40 C ATOM 715 NE ARG A 51 27.163 -10.306 0.554 1.00 31.34 N ATOM 716 CZ ARG A 51 28.230 -10.240 -0.233 1.00 65.04 C ATOM 717 NH1 ARG A 51 28.088 -10.259 -1.551 1.00 61.14 N ATOM 718 NH2 ARG A 51 29.444 -10.154 0.297 1.00 13.01 N ATOM 0 H ARG A 51 21.451 -12.334 2.312 1.00 5.21 H new ATOM 0 HA ARG A 51 22.617 -11.133 -0.099 1.00 61.01 H new ATOM 0 HB2 ARG A 51 24.102 -12.172 2.297 1.00 15.35 H new ATOM 0 HB3 ARG A 51 24.740 -12.561 0.711 1.00 15.35 H new ATOM 0 HG2 ARG A 51 24.013 -9.713 1.034 1.00 4.42 H new ATOM 0 HG3 ARG A 51 25.269 -10.253 2.131 1.00 4.42 H new ATOM 0 HD2 ARG A 51 25.700 -11.288 -0.575 1.00 43.40 H new ATOM 0 HD3 ARG A 51 25.576 -9.540 -0.575 1.00 43.40 H new ATOM 0 HE ARG A 51 27.307 -10.288 1.564 1.00 31.34 H new ATOM 0 HH11 ARG A 51 27.157 -10.324 -1.963 1.00 61.14 H new ATOM 0 HH12 ARG A 51 28.910 -10.208 -2.153 1.00 61.14 H new ATOM 0 HH21 ARG A 51 29.558 -10.139 1.310 1.00 13.01 H new ATOM 0 HH22 ARG A 51 30.263 -10.103 -0.309 1.00 13.01 H new ATOM 732 N VAL A 52 22.920 -13.493 -1.104 1.00 1.31 N ATOM 733 CA VAL A 52 22.715 -14.768 -1.780 1.00 54.13 C ATOM 734 C VAL A 52 23.186 -15.931 -0.915 1.00 72.20 C ATOM 735 O VAL A 52 24.282 -15.900 -0.357 1.00 52.42 O ATOM 736 CB VAL A 52 23.455 -14.813 -3.130 1.00 25.21 C ATOM 737 CG1 VAL A 52 22.995 -13.677 -4.030 1.00 43.13 C ATOM 738 CG2 VAL A 52 24.960 -14.757 -2.913 1.00 41.23 C ATOM 0 H VAL A 52 23.478 -12.821 -1.631 1.00 1.31 H new ATOM 0 HA VAL A 52 21.644 -14.863 -1.958 1.00 54.13 H new ATOM 0 HB VAL A 52 23.216 -15.754 -3.625 1.00 25.21 H new ATOM 0 HG11 VAL A 52 23.529 -13.726 -4.979 1.00 43.13 H new ATOM 0 HG12 VAL A 52 21.924 -13.767 -4.211 1.00 43.13 H new ATOM 0 HG13 VAL A 52 23.202 -12.723 -3.546 1.00 43.13 H new ATOM 0 HG21 VAL A 52 25.468 -14.790 -3.877 1.00 41.23 H new ATOM 0 HG22 VAL A 52 25.219 -13.832 -2.397 1.00 41.23 H new ATOM 0 HG23 VAL A 52 25.272 -15.609 -2.309 1.00 41.23 H new ATOM 748 N GLY A 53 22.349 -16.959 -0.808 1.00 21.10 N ATOM 749 CA GLY A 53 22.698 -18.119 -0.009 1.00 72.41 C ATOM 750 C GLY A 53 21.704 -18.375 1.106 1.00 31.34 C ATOM 751 O GLY A 53 21.234 -19.500 1.283 1.00 44.41 O ATOM 0 H GLY A 53 21.436 -17.009 -1.260 1.00 21.10 H new ATOM 0 HA2 GLY A 53 22.751 -18.997 -0.653 1.00 72.41 H new ATOM 0 HA3 GLY A 53 23.690 -17.977 0.419 1.00 72.41 H new ATOM 755 N ASP A 54 21.383 -17.331 1.862 1.00 5.21 N ATOM 756 CA ASP A 54 20.439 -17.448 2.967 1.00 2.43 C ATOM 757 C ASP A 54 19.038 -17.762 2.454 1.00 73.35 C ATOM 758 O ASP A 54 18.643 -17.305 1.382 1.00 53.43 O ATOM 759 CB ASP A 54 20.418 -16.156 3.786 1.00 34.13 C ATOM 760 CG ASP A 54 21.584 -16.063 4.751 1.00 54.43 C ATOM 761 OD1 ASP A 54 22.669 -15.611 4.328 1.00 13.33 O ATOM 762 OD2 ASP A 54 21.411 -16.440 5.928 1.00 32.42 O ATOM 0 H ASP A 54 21.763 -16.394 1.730 1.00 5.21 H new ATOM 0 HA ASP A 54 20.765 -18.269 3.606 1.00 2.43 H new ATOM 0 HB2 ASP A 54 20.440 -15.301 3.111 1.00 34.13 H new ATOM 0 HB3 ASP A 54 19.483 -16.098 4.344 1.00 34.13 H new ATOM 767 N GLN A 55 18.292 -18.547 3.225 1.00 4.13 N ATOM 768 CA GLN A 55 16.936 -18.924 2.847 1.00 52.14 C ATOM 769 C GLN A 55 15.910 -18.030 3.536 1.00 31.51 C ATOM 770 O GLN A 55 15.719 -18.109 4.750 1.00 21.05 O ATOM 771 CB GLN A 55 16.673 -20.389 3.200 1.00 4.22 C ATOM 772 CG GLN A 55 17.676 -21.352 2.586 1.00 62.03 C ATOM 773 CD GLN A 55 18.013 -22.509 3.505 1.00 21.14 C ATOM 774 OE1 GLN A 55 17.944 -22.385 4.729 1.00 61.44 O ATOM 775 NE2 GLN A 55 18.380 -23.643 2.920 1.00 21.34 N ATOM 0 H GLN A 55 18.604 -18.934 4.115 1.00 4.13 H new ATOM 0 HA GLN A 55 16.838 -18.795 1.769 1.00 52.14 H new ATOM 0 HB2 GLN A 55 16.690 -20.502 4.284 1.00 4.22 H new ATOM 0 HB3 GLN A 55 15.671 -20.660 2.867 1.00 4.22 H new ATOM 0 HG2 GLN A 55 17.274 -21.741 1.651 1.00 62.03 H new ATOM 0 HG3 GLN A 55 18.590 -20.811 2.340 1.00 62.03 H new ATOM 0 HE21 GLN A 55 18.423 -23.701 1.903 1.00 21.34 H new ATOM 0 HE22 GLN A 55 18.619 -24.456 3.488 1.00 21.34 H new ATOM 784 N LEU A 56 15.252 -17.181 2.755 1.00 62.35 N ATOM 785 CA LEU A 56 14.245 -16.272 3.290 1.00 40.21 C ATOM 786 C LEU A 56 12.910 -16.986 3.476 1.00 40.15 C ATOM 787 O LEU A 56 12.320 -17.481 2.515 1.00 12.41 O ATOM 788 CB LEU A 56 14.069 -15.070 2.360 1.00 73.11 C ATOM 789 CG LEU A 56 13.553 -15.379 0.954 1.00 62.50 C ATOM 790 CD1 LEU A 56 12.058 -15.117 0.864 1.00 40.23 C ATOM 791 CD2 LEU A 56 14.305 -14.557 -0.083 1.00 14.25 C ATOM 0 H LEU A 56 15.398 -17.103 1.748 1.00 62.35 H new ATOM 0 HA LEU A 56 14.587 -15.923 4.264 1.00 40.21 H new ATOM 0 HB2 LEU A 56 13.381 -14.369 2.832 1.00 73.11 H new ATOM 0 HB3 LEU A 56 15.029 -14.562 2.269 1.00 73.11 H new ATOM 0 HG LEU A 56 13.728 -16.435 0.747 1.00 62.50 H new ATOM 0 HD11 LEU A 56 11.709 -15.342 -0.144 1.00 40.23 H new ATOM 0 HD12 LEU A 56 11.534 -15.750 1.580 1.00 40.23 H new ATOM 0 HD13 LEU A 56 11.858 -14.070 1.091 1.00 40.23 H new ATOM 0 HD21 LEU A 56 13.925 -14.790 -1.078 1.00 14.25 H new ATOM 0 HD22 LEU A 56 14.162 -13.496 0.121 1.00 14.25 H new ATOM 0 HD23 LEU A 56 15.367 -14.796 -0.036 1.00 14.25 H new ATOM 803 N VAL A 57 12.438 -17.034 4.717 1.00 21.03 N ATOM 804 CA VAL A 57 11.171 -17.684 5.029 1.00 71.42 C ATOM 805 C VAL A 57 10.103 -16.660 5.395 1.00 51.00 C ATOM 806 O VAL A 57 9.054 -16.586 4.755 1.00 33.21 O ATOM 807 CB VAL A 57 11.325 -18.686 6.188 1.00 35.44 C ATOM 808 CG1 VAL A 57 10.026 -19.447 6.413 1.00 45.03 C ATOM 809 CG2 VAL A 57 12.473 -19.645 5.915 1.00 64.22 C ATOM 0 H VAL A 57 12.914 -16.630 5.524 1.00 21.03 H new ATOM 0 HA VAL A 57 10.862 -18.222 4.133 1.00 71.42 H new ATOM 0 HB VAL A 57 11.555 -18.130 7.097 1.00 35.44 H new ATOM 0 HG11 VAL A 57 10.154 -20.150 7.236 1.00 45.03 H new ATOM 0 HG12 VAL A 57 9.230 -18.744 6.657 1.00 45.03 H new ATOM 0 HG13 VAL A 57 9.762 -19.993 5.507 1.00 45.03 H new ATOM 0 HG21 VAL A 57 12.567 -20.346 6.745 1.00 64.22 H new ATOM 0 HG22 VAL A 57 12.276 -20.196 4.995 1.00 64.22 H new ATOM 0 HG23 VAL A 57 13.400 -19.082 5.809 1.00 64.22 H new ATOM 819 N ARG A 58 10.377 -15.871 6.428 1.00 4.34 N ATOM 820 CA ARG A 58 9.440 -14.850 6.881 1.00 75.24 C ATOM 821 C ARG A 58 8.107 -15.476 7.281 1.00 55.23 C ATOM 822 O ARG A 58 7.054 -14.847 7.164 1.00 21.55 O ATOM 823 CB ARG A 58 9.217 -13.809 5.782 1.00 2.12 C ATOM 824 CG ARG A 58 8.551 -12.535 6.276 1.00 31.23 C ATOM 825 CD ARG A 58 9.104 -11.307 5.570 1.00 73.30 C ATOM 826 NE ARG A 58 8.104 -10.249 5.448 1.00 21.53 N ATOM 827 CZ ARG A 58 8.407 -8.972 5.249 1.00 51.44 C ATOM 828 NH1 ARG A 58 9.674 -8.595 5.148 1.00 22.12 N ATOM 829 NH2 ARG A 58 7.441 -8.067 5.148 1.00 31.45 N ATOM 0 H ARG A 58 11.241 -15.919 6.968 1.00 4.34 H new ATOM 0 HA ARG A 58 9.869 -14.360 7.755 1.00 75.24 H new ATOM 0 HB2 ARG A 58 10.177 -13.556 5.333 1.00 2.12 H new ATOM 0 HB3 ARG A 58 8.603 -14.249 4.996 1.00 2.12 H new ATOM 0 HG2 ARG A 58 7.475 -12.598 6.110 1.00 31.23 H new ATOM 0 HG3 ARG A 58 8.703 -12.437 7.351 1.00 31.23 H new ATOM 0 HD2 ARG A 58 9.966 -10.930 6.121 1.00 73.30 H new ATOM 0 HD3 ARG A 58 9.458 -11.588 4.578 1.00 73.30 H new ATOM 0 HE ARG A 58 7.119 -10.506 5.520 1.00 21.53 H new ATOM 0 HH11 ARG A 58 10.420 -9.287 5.223 1.00 22.12 H new ATOM 0 HH12 ARG A 58 9.903 -7.613 4.995 1.00 22.12 H new ATOM 0 HH21 ARG A 58 6.465 -8.353 5.223 1.00 31.45 H new ATOM 0 HH22 ARG A 58 7.675 -7.086 4.995 1.00 31.45 H new ATOM 843 N PHE A 59 8.159 -16.717 7.752 1.00 61.33 N ATOM 844 CA PHE A 59 6.956 -17.429 8.168 1.00 41.15 C ATOM 845 C PHE A 59 7.206 -18.215 9.451 1.00 34.12 C ATOM 846 O PHE A 59 8.311 -18.700 9.690 1.00 62.03 O ATOM 847 CB PHE A 59 6.489 -18.375 7.059 1.00 13.24 C ATOM 848 CG PHE A 59 5.792 -17.675 5.928 1.00 13.30 C ATOM 849 CD1 PHE A 59 6.294 -17.743 4.639 1.00 45.02 C ATOM 850 CD2 PHE A 59 4.634 -16.948 6.154 1.00 10.30 C ATOM 851 CE1 PHE A 59 5.655 -17.100 3.595 1.00 23.23 C ATOM 852 CE2 PHE A 59 3.990 -16.303 5.115 1.00 63.35 C ATOM 853 CZ PHE A 59 4.502 -16.379 3.834 1.00 42.51 C ATOM 0 H PHE A 59 9.022 -17.251 7.855 1.00 61.33 H new ATOM 0 HA PHE A 59 6.176 -16.693 8.360 1.00 41.15 H new ATOM 0 HB2 PHE A 59 7.351 -18.914 6.666 1.00 13.24 H new ATOM 0 HB3 PHE A 59 5.815 -19.118 7.486 1.00 13.24 H new ATOM 0 HD1 PHE A 59 7.196 -18.305 4.447 1.00 45.02 H new ATOM 0 HD2 PHE A 59 4.230 -16.885 7.154 1.00 10.30 H new ATOM 0 HE1 PHE A 59 6.057 -17.162 2.594 1.00 23.23 H new ATOM 0 HE2 PHE A 59 3.088 -15.740 5.304 1.00 63.35 H new ATOM 0 HZ PHE A 59 4.001 -15.875 3.021 1.00 42.51 H new ATOM 863 N ALA A 60 6.170 -18.336 10.275 1.00 75.23 N ATOM 864 CA ALA A 60 6.275 -19.064 11.533 1.00 31.11 C ATOM 865 C ALA A 60 6.333 -20.569 11.294 1.00 54.03 C ATOM 866 O ALA A 60 5.336 -21.187 10.923 1.00 35.11 O ATOM 867 CB ALA A 60 5.106 -18.717 12.443 1.00 11.11 C ATOM 0 H ALA A 60 5.248 -17.939 10.093 1.00 75.23 H new ATOM 0 HA ALA A 60 7.203 -18.764 12.021 1.00 31.11 H new ATOM 0 HB1 ALA A 60 5.197 -19.268 13.379 1.00 11.11 H new ATOM 0 HB2 ALA A 60 5.111 -17.647 12.650 1.00 11.11 H new ATOM 0 HB3 ALA A 60 4.171 -18.987 11.953 1.00 11.11 H new ATOM 873 N GLY A 61 7.508 -21.153 11.507 1.00 32.14 N ATOM 874 CA GLY A 61 7.673 -22.581 11.309 1.00 64.13 C ATOM 875 C GLY A 61 8.848 -22.909 10.409 1.00 42.13 C ATOM 876 O GLY A 61 9.090 -24.074 10.091 1.00 1.33 O ATOM 0 H GLY A 61 8.348 -20.663 11.813 1.00 32.14 H new ATOM 0 HA2 GLY A 61 7.813 -23.065 12.276 1.00 64.13 H new ATOM 0 HA3 GLY A 61 6.761 -22.992 10.876 1.00 64.13 H new ATOM 880 N TYR A 62 9.579 -21.880 9.995 1.00 43.11 N ATOM 881 CA TYR A 62 10.733 -22.064 9.122 1.00 12.22 C ATOM 882 C TYR A 62 10.321 -22.714 7.805 1.00 42.22 C ATOM 883 O TYR A 62 11.041 -23.552 7.260 1.00 55.22 O ATOM 884 CB TYR A 62 11.793 -22.920 9.817 1.00 71.11 C ATOM 885 CG TYR A 62 11.995 -22.570 11.274 1.00 41.42 C ATOM 886 CD1 TYR A 62 12.066 -23.562 12.244 1.00 62.02 C ATOM 887 CD2 TYR A 62 12.114 -21.246 11.681 1.00 71.55 C ATOM 888 CE1 TYR A 62 12.250 -23.247 13.576 1.00 1.42 C ATOM 889 CE2 TYR A 62 12.299 -20.922 13.010 1.00 5.14 C ATOM 890 CZ TYR A 62 12.367 -21.925 13.954 1.00 33.34 C ATOM 891 OH TYR A 62 12.550 -21.606 15.280 1.00 30.13 O ATOM 0 H TYR A 62 9.393 -20.910 10.250 1.00 43.11 H new ATOM 0 HA TYR A 62 11.154 -21.082 8.906 1.00 12.22 H new ATOM 0 HB2 TYR A 62 11.508 -23.969 9.740 1.00 71.11 H new ATOM 0 HB3 TYR A 62 12.741 -22.808 9.290 1.00 71.11 H new ATOM 0 HD1 TYR A 62 11.976 -24.598 11.951 1.00 62.02 H new ATOM 0 HD2 TYR A 62 12.061 -20.458 10.945 1.00 71.55 H new ATOM 0 HE1 TYR A 62 12.302 -24.031 14.317 1.00 1.42 H new ATOM 0 HE2 TYR A 62 12.390 -19.888 13.309 1.00 5.14 H new ATOM 0 HH TYR A 62 12.614 -20.633 15.376 1.00 30.13 H new ATOM 901 N THR A 63 9.157 -22.321 7.297 1.00 42.43 N ATOM 902 CA THR A 63 8.648 -22.864 6.044 1.00 53.21 C ATOM 903 C THR A 63 8.217 -21.750 5.097 1.00 40.15 C ATOM 904 O THR A 63 7.468 -20.851 5.479 1.00 51.11 O ATOM 905 CB THR A 63 7.454 -23.807 6.285 1.00 62.31 C ATOM 906 OG1 THR A 63 6.895 -24.219 5.033 1.00 74.02 O ATOM 907 CG2 THR A 63 6.385 -23.124 7.124 1.00 51.02 C ATOM 0 H THR A 63 8.549 -21.628 7.734 1.00 42.43 H new ATOM 0 HA THR A 63 9.462 -23.429 5.590 1.00 53.21 H new ATOM 0 HB THR A 63 7.814 -24.682 6.827 1.00 62.31 H new ATOM 0 HG1 THR A 63 6.138 -24.820 5.195 1.00 74.02 H new ATOM 0 HG21 THR A 63 5.552 -23.810 7.281 1.00 51.02 H new ATOM 0 HG22 THR A 63 6.806 -22.839 8.088 1.00 51.02 H new ATOM 0 HG23 THR A 63 6.029 -22.234 6.606 1.00 51.02 H new ATOM 915 N VAL A 64 8.695 -21.815 3.858 1.00 75.33 N ATOM 916 CA VAL A 64 8.357 -20.813 2.854 1.00 1.44 C ATOM 917 C VAL A 64 7.645 -21.445 1.664 1.00 41.44 C ATOM 918 O VAL A 64 7.806 -22.634 1.389 1.00 30.41 O ATOM 919 CB VAL A 64 9.613 -20.074 2.355 1.00 52.13 C ATOM 920 CG1 VAL A 64 10.393 -20.944 1.381 1.00 31.44 C ATOM 921 CG2 VAL A 64 9.231 -18.750 1.710 1.00 35.02 C ATOM 0 H VAL A 64 9.318 -22.551 3.526 1.00 75.33 H new ATOM 0 HA VAL A 64 7.689 -20.097 3.333 1.00 1.44 H new ATOM 0 HB VAL A 64 10.254 -19.864 3.211 1.00 52.13 H new ATOM 0 HG11 VAL A 64 11.277 -20.405 1.039 1.00 31.44 H new ATOM 0 HG12 VAL A 64 10.699 -21.864 1.879 1.00 31.44 H new ATOM 0 HG13 VAL A 64 9.763 -21.187 0.525 1.00 31.44 H new ATOM 0 HG21 VAL A 64 10.130 -18.241 1.363 1.00 35.02 H new ATOM 0 HG22 VAL A 64 8.570 -18.935 0.864 1.00 35.02 H new ATOM 0 HG23 VAL A 64 8.719 -18.124 2.441 1.00 35.02 H new ATOM 931 N THR A 65 6.856 -20.640 0.957 1.00 25.45 N ATOM 932 CA THR A 65 6.119 -21.120 -0.204 1.00 73.31 C ATOM 933 C THR A 65 7.005 -21.151 -1.444 1.00 54.52 C ATOM 934 O THR A 65 7.412 -22.218 -1.900 1.00 65.13 O ATOM 935 CB THR A 65 4.886 -20.242 -0.489 1.00 50.31 C ATOM 936 OG1 THR A 65 4.939 -19.051 0.305 1.00 71.12 O ATOM 937 CG2 THR A 65 3.601 -20.999 -0.191 1.00 71.31 C ATOM 0 H THR A 65 6.712 -19.653 1.169 1.00 25.45 H new ATOM 0 HA THR A 65 5.789 -22.133 0.028 1.00 73.31 H new ATOM 0 HB THR A 65 4.894 -19.975 -1.546 1.00 50.31 H new ATOM 0 HG1 THR A 65 4.028 -18.749 0.504 1.00 71.12 H new ATOM 0 HG21 THR A 65 2.744 -20.358 -0.400 1.00 71.31 H new ATOM 0 HG22 THR A 65 3.550 -21.889 -0.818 1.00 71.31 H new ATOM 0 HG23 THR A 65 3.587 -21.293 0.859 1.00 71.31 H new ATOM 945 N GLU A 66 7.299 -19.972 -1.985 1.00 30.14 N ATOM 946 CA GLU A 66 8.137 -19.865 -3.173 1.00 23.32 C ATOM 947 C GLU A 66 8.331 -18.405 -3.573 1.00 33.51 C ATOM 948 O GLU A 66 7.871 -17.495 -2.883 1.00 4.54 O ATOM 949 CB GLU A 66 7.517 -20.646 -4.334 1.00 10.24 C ATOM 950 CG GLU A 66 6.042 -20.350 -4.547 1.00 0.32 C ATOM 951 CD GLU A 66 5.497 -20.982 -5.813 1.00 2.41 C ATOM 952 OE1 GLU A 66 4.270 -21.205 -5.883 1.00 43.43 O ATOM 953 OE2 GLU A 66 6.297 -21.253 -6.733 1.00 33.34 O ATOM 0 H GLU A 66 6.969 -19.079 -1.619 1.00 30.14 H new ATOM 0 HA GLU A 66 9.112 -20.291 -2.938 1.00 23.32 H new ATOM 0 HB2 GLU A 66 8.062 -20.414 -5.249 1.00 10.24 H new ATOM 0 HB3 GLU A 66 7.642 -21.713 -4.151 1.00 10.24 H new ATOM 0 HG2 GLU A 66 5.475 -20.714 -3.690 1.00 0.32 H new ATOM 0 HG3 GLU A 66 5.895 -19.271 -4.592 1.00 0.32 H new ATOM 960 N LEU A 67 9.014 -18.190 -4.692 1.00 31.53 N ATOM 961 CA LEU A 67 9.270 -16.842 -5.185 1.00 15.42 C ATOM 962 C LEU A 67 7.967 -16.143 -5.561 1.00 34.22 C ATOM 963 O LEU A 67 7.864 -14.919 -5.489 1.00 70.03 O ATOM 964 CB LEU A 67 10.204 -16.888 -6.395 1.00 21.30 C ATOM 965 CG LEU A 67 9.776 -17.809 -7.538 1.00 63.32 C ATOM 966 CD1 LEU A 67 8.777 -17.107 -8.444 1.00 45.35 C ATOM 967 CD2 LEU A 67 10.989 -18.270 -8.334 1.00 32.32 C ATOM 0 H LEU A 67 9.400 -18.932 -5.275 1.00 31.53 H new ATOM 0 HA LEU A 67 9.748 -16.275 -4.386 1.00 15.42 H new ATOM 0 HB2 LEU A 67 10.306 -15.877 -6.789 1.00 21.30 H new ATOM 0 HB3 LEU A 67 11.192 -17.199 -6.055 1.00 21.30 H new ATOM 0 HG LEU A 67 9.292 -18.687 -7.110 1.00 63.32 H new ATOM 0 HD11 LEU A 67 8.484 -17.778 -9.251 1.00 45.35 H new ATOM 0 HD12 LEU A 67 7.896 -16.828 -7.866 1.00 45.35 H new ATOM 0 HD13 LEU A 67 9.234 -16.211 -8.864 1.00 45.35 H new ATOM 0 HD21 LEU A 67 10.666 -18.925 -9.143 1.00 32.32 H new ATOM 0 HD22 LEU A 67 11.501 -17.403 -8.751 1.00 32.32 H new ATOM 0 HD23 LEU A 67 11.670 -18.813 -7.678 1.00 32.32 H new ATOM 979 N ALA A 68 6.973 -16.931 -5.960 1.00 10.45 N ATOM 980 CA ALA A 68 5.675 -16.388 -6.342 1.00 63.44 C ATOM 981 C ALA A 68 4.962 -15.772 -5.144 1.00 25.05 C ATOM 982 O ALA A 68 4.393 -14.686 -5.240 1.00 14.44 O ATOM 983 CB ALA A 68 4.814 -17.474 -6.970 1.00 31.40 C ATOM 0 H ALA A 68 7.042 -17.946 -6.027 1.00 10.45 H new ATOM 0 HA ALA A 68 5.841 -15.600 -7.076 1.00 63.44 H new ATOM 0 HB1 ALA A 68 3.848 -17.055 -7.251 1.00 31.40 H new ATOM 0 HB2 ALA A 68 5.312 -17.865 -7.857 1.00 31.40 H new ATOM 0 HB3 ALA A 68 4.665 -18.281 -6.252 1.00 31.40 H new ATOM 989 N ALA A 69 4.998 -16.473 -4.015 1.00 71.21 N ATOM 990 CA ALA A 69 4.356 -15.994 -2.797 1.00 43.23 C ATOM 991 C ALA A 69 5.081 -14.774 -2.239 1.00 12.32 C ATOM 992 O ALA A 69 4.458 -13.872 -1.679 1.00 14.41 O ATOM 993 CB ALA A 69 4.305 -17.102 -1.756 1.00 63.12 C ATOM 0 H ALA A 69 5.465 -17.375 -3.919 1.00 71.21 H new ATOM 0 HA ALA A 69 3.337 -15.697 -3.045 1.00 43.23 H new ATOM 0 HB1 ALA A 69 3.823 -16.730 -0.852 1.00 63.12 H new ATOM 0 HB2 ALA A 69 3.737 -17.945 -2.149 1.00 63.12 H new ATOM 0 HB3 ALA A 69 5.318 -17.426 -1.520 1.00 63.12 H new ATOM 999 N PHE A 70 6.400 -14.753 -2.394 1.00 44.51 N ATOM 1000 CA PHE A 70 7.210 -13.643 -1.904 1.00 22.45 C ATOM 1001 C PHE A 70 6.969 -12.385 -2.733 1.00 20.42 C ATOM 1002 O PHE A 70 7.147 -11.268 -2.251 1.00 3.24 O ATOM 1003 CB PHE A 70 8.694 -14.014 -1.938 1.00 4.43 C ATOM 1004 CG PHE A 70 9.577 -13.017 -1.243 1.00 1.24 C ATOM 1005 CD1 PHE A 70 10.756 -12.587 -1.830 1.00 52.23 C ATOM 1006 CD2 PHE A 70 9.228 -12.510 -0.001 1.00 62.00 C ATOM 1007 CE1 PHE A 70 11.570 -11.669 -1.194 1.00 21.35 C ATOM 1008 CE2 PHE A 70 10.038 -11.592 0.640 1.00 22.13 C ATOM 1009 CZ PHE A 70 11.211 -11.172 0.044 1.00 62.11 C ATOM 0 H PHE A 70 6.931 -15.492 -2.855 1.00 44.51 H new ATOM 0 HA PHE A 70 6.917 -13.439 -0.874 1.00 22.45 H new ATOM 0 HB2 PHE A 70 8.827 -14.991 -1.473 1.00 4.43 H new ATOM 0 HB3 PHE A 70 9.013 -14.109 -2.976 1.00 4.43 H new ATOM 0 HD1 PHE A 70 11.042 -12.974 -2.797 1.00 52.23 H new ATOM 0 HD2 PHE A 70 8.313 -12.836 0.471 1.00 62.00 H new ATOM 0 HE1 PHE A 70 12.485 -11.341 -1.664 1.00 21.35 H new ATOM 0 HE2 PHE A 70 9.754 -11.203 1.607 1.00 22.13 H new ATOM 0 HZ PHE A 70 11.846 -10.456 0.545 1.00 62.11 H new ATOM 1019 N ASN A 71 6.563 -12.577 -3.984 1.00 31.43 N ATOM 1020 CA ASN A 71 6.298 -11.459 -4.881 1.00 42.05 C ATOM 1021 C ASN A 71 5.211 -10.551 -4.314 1.00 24.13 C ATOM 1022 O ASN A 71 5.331 -9.326 -4.344 1.00 2.20 O ATOM 1023 CB ASN A 71 5.880 -11.973 -6.261 1.00 11.14 C ATOM 1024 CG ASN A 71 6.936 -11.715 -7.318 1.00 55.23 C ATOM 1025 OD1 ASN A 71 7.322 -12.619 -8.059 1.00 21.11 O ATOM 1026 ND2 ASN A 71 7.407 -10.476 -7.393 1.00 43.32 N ATOM 0 H ASN A 71 6.411 -13.496 -4.399 1.00 31.43 H new ATOM 0 HA ASN A 71 7.216 -10.879 -4.979 1.00 42.05 H new ATOM 0 HB2 ASN A 71 5.682 -13.043 -6.202 1.00 11.14 H new ATOM 0 HB3 ASN A 71 4.948 -11.492 -6.558 1.00 11.14 H new ATOM 0 HD21 ASN A 71 8.118 -10.242 -8.086 1.00 43.32 H new ATOM 0 HD22 ASN A 71 7.058 -9.758 -6.758 1.00 43.32 H new ATOM 1033 N THR A 72 4.150 -11.161 -3.795 1.00 11.32 N ATOM 1034 CA THR A 72 3.042 -10.409 -3.220 1.00 55.34 C ATOM 1035 C THR A 72 3.438 -9.772 -1.893 1.00 61.51 C ATOM 1036 O THR A 72 2.997 -8.671 -1.565 1.00 1.12 O ATOM 1037 CB THR A 72 1.809 -11.306 -2.999 1.00 1.32 C ATOM 1038 OG1 THR A 72 2.100 -12.647 -3.405 1.00 63.55 O ATOM 1039 CG2 THR A 72 0.612 -10.783 -3.778 1.00 51.32 C ATOM 0 H THR A 72 4.035 -12.174 -3.761 1.00 11.32 H new ATOM 0 HA THR A 72 2.789 -9.625 -3.934 1.00 55.34 H new ATOM 0 HB THR A 72 1.564 -11.294 -1.937 1.00 1.32 H new ATOM 0 HG1 THR A 72 1.312 -13.211 -3.260 1.00 63.55 H new ATOM 0 HG21 THR A 72 -0.246 -11.433 -3.606 1.00 51.32 H new ATOM 0 HG22 THR A 72 0.375 -9.773 -3.445 1.00 51.32 H new ATOM 0 HG23 THR A 72 0.849 -10.768 -4.842 1.00 51.32 H new ATOM 1047 N VAL A 73 4.274 -10.473 -1.133 1.00 11.42 N ATOM 1048 CA VAL A 73 4.732 -9.975 0.159 1.00 53.11 C ATOM 1049 C VAL A 73 5.675 -8.790 -0.012 1.00 3.31 C ATOM 1050 O VAL A 73 5.596 -7.807 0.726 1.00 74.41 O ATOM 1051 CB VAL A 73 5.448 -11.076 0.963 1.00 65.03 C ATOM 1052 CG1 VAL A 73 6.017 -10.510 2.255 1.00 14.11 C ATOM 1053 CG2 VAL A 73 4.499 -12.230 1.248 1.00 23.03 C ATOM 0 H VAL A 73 4.648 -11.387 -1.390 1.00 11.42 H new ATOM 0 HA VAL A 73 3.846 -9.654 0.707 1.00 53.11 H new ATOM 0 HB VAL A 73 6.277 -11.457 0.366 1.00 65.03 H new ATOM 0 HG11 VAL A 73 6.519 -11.303 2.810 1.00 14.11 H new ATOM 0 HG12 VAL A 73 6.732 -9.721 2.023 1.00 14.11 H new ATOM 0 HG13 VAL A 73 5.208 -10.100 2.860 1.00 14.11 H new ATOM 0 HG21 VAL A 73 5.022 -12.999 1.817 1.00 23.03 H new ATOM 0 HG22 VAL A 73 3.648 -11.867 1.825 1.00 23.03 H new ATOM 0 HG23 VAL A 73 4.146 -12.652 0.307 1.00 23.03 H new ATOM 1063 N VAL A 74 6.569 -8.888 -0.991 1.00 23.33 N ATOM 1064 CA VAL A 74 7.528 -7.824 -1.260 1.00 42.44 C ATOM 1065 C VAL A 74 6.818 -6.512 -1.575 1.00 5.50 C ATOM 1066 O VAL A 74 7.276 -5.438 -1.185 1.00 13.31 O ATOM 1067 CB VAL A 74 8.455 -8.188 -2.435 1.00 43.43 C ATOM 1068 CG1 VAL A 74 9.316 -6.996 -2.825 1.00 44.12 C ATOM 1069 CG2 VAL A 74 9.320 -9.387 -2.079 1.00 24.11 C ATOM 0 H VAL A 74 6.649 -9.694 -1.611 1.00 23.33 H new ATOM 0 HA VAL A 74 8.128 -7.702 -0.358 1.00 42.44 H new ATOM 0 HB VAL A 74 7.838 -8.456 -3.293 1.00 43.43 H new ATOM 0 HG11 VAL A 74 9.964 -7.272 -3.657 1.00 44.12 H new ATOM 0 HG12 VAL A 74 8.675 -6.167 -3.124 1.00 44.12 H new ATOM 0 HG13 VAL A 74 9.926 -6.694 -1.974 1.00 44.12 H new ATOM 0 HG21 VAL A 74 9.969 -9.630 -2.920 1.00 24.11 H new ATOM 0 HG22 VAL A 74 9.930 -9.150 -1.207 1.00 24.11 H new ATOM 0 HG23 VAL A 74 8.682 -10.242 -1.854 1.00 24.11 H new ATOM 1079 N ALA A 75 5.698 -6.606 -2.283 1.00 34.33 N ATOM 1080 CA ALA A 75 4.923 -5.427 -2.648 1.00 34.12 C ATOM 1081 C ALA A 75 4.416 -4.698 -1.408 1.00 50.32 C ATOM 1082 O ALA A 75 4.481 -3.471 -1.328 1.00 51.13 O ATOM 1083 CB ALA A 75 3.758 -5.818 -3.545 1.00 71.04 C ATOM 0 H ALA A 75 5.307 -7.487 -2.616 1.00 34.33 H new ATOM 0 HA ALA A 75 5.577 -4.748 -3.195 1.00 34.12 H new ATOM 0 HB1 ALA A 75 3.188 -4.928 -3.810 1.00 71.04 H new ATOM 0 HB2 ALA A 75 4.139 -6.288 -4.452 1.00 71.04 H new ATOM 0 HB3 ALA A 75 3.112 -6.519 -3.017 1.00 71.04 H new ATOM 1089 N ARG A 76 3.911 -5.460 -0.444 1.00 20.12 N ATOM 1090 CA ARG A 76 3.391 -4.885 0.791 1.00 24.43 C ATOM 1091 C ARG A 76 4.523 -4.584 1.769 1.00 24.32 C ATOM 1092 O ARG A 76 4.370 -3.771 2.681 1.00 45.53 O ATOM 1093 CB ARG A 76 2.384 -5.838 1.438 1.00 64.30 C ATOM 1094 CG ARG A 76 1.421 -6.471 0.447 1.00 41.31 C ATOM 1095 CD ARG A 76 0.736 -5.420 -0.412 1.00 51.42 C ATOM 1096 NE ARG A 76 -0.615 -5.821 -0.795 1.00 61.53 N ATOM 1097 CZ ARG A 76 -1.386 -5.118 -1.617 1.00 43.02 C ATOM 1098 NH1 ARG A 76 -0.941 -3.983 -2.140 1.00 31.51 N ATOM 1099 NH2 ARG A 76 -2.604 -5.549 -1.918 1.00 61.33 N ATOM 0 H ARG A 76 3.851 -6.477 -0.494 1.00 20.12 H new ATOM 0 HA ARG A 76 2.889 -3.950 0.544 1.00 24.43 H new ATOM 0 HB2 ARG A 76 2.926 -6.627 1.959 1.00 64.30 H new ATOM 0 HB3 ARG A 76 1.813 -5.294 2.190 1.00 64.30 H new ATOM 0 HG2 ARG A 76 1.962 -7.169 -0.192 1.00 41.31 H new ATOM 0 HG3 ARG A 76 0.670 -7.048 0.986 1.00 41.31 H new ATOM 0 HD2 ARG A 76 0.693 -4.478 0.134 1.00 51.42 H new ATOM 0 HD3 ARG A 76 1.329 -5.242 -1.309 1.00 51.42 H new ATOM 0 HE ARG A 76 -0.987 -6.689 -0.410 1.00 61.53 H new ATOM 0 HH11 ARG A 76 -0.005 -3.648 -1.911 1.00 31.51 H new ATOM 0 HH12 ARG A 76 -1.535 -3.445 -2.771 1.00 31.51 H new ATOM 0 HH21 ARG A 76 -2.950 -6.421 -1.518 1.00 61.33 H new ATOM 0 HH22 ARG A 76 -3.195 -5.008 -2.549 1.00 61.33 H new ATOM 1113 N HIS A 77 5.659 -5.246 1.574 1.00 63.44 N ATOM 1114 CA HIS A 77 6.817 -5.050 2.438 1.00 5.32 C ATOM 1115 C HIS A 77 7.550 -3.760 2.080 1.00 61.21 C ATOM 1116 O HIS A 77 7.818 -2.926 2.944 1.00 3.33 O ATOM 1117 CB HIS A 77 7.771 -6.240 2.327 1.00 2.43 C ATOM 1118 CG HIS A 77 9.085 -6.020 3.013 1.00 72.24 C ATOM 1119 ND1 HIS A 77 9.232 -5.206 4.116 1.00 55.45 N ATOM 1120 CD2 HIS A 77 10.316 -6.516 2.747 1.00 72.14 C ATOM 1121 CE1 HIS A 77 10.496 -5.209 4.497 1.00 2.51 C ATOM 1122 NE2 HIS A 77 11.175 -5.996 3.683 1.00 23.51 N ATOM 0 H HIS A 77 5.802 -5.923 0.825 1.00 63.44 H new ATOM 0 HA HIS A 77 6.463 -4.973 3.466 1.00 5.32 H new ATOM 0 HB2 HIS A 77 7.291 -7.121 2.753 1.00 2.43 H new ATOM 0 HB3 HIS A 77 7.952 -6.453 1.273 1.00 2.43 H new ATOM 0 HD1 HIS A 77 8.481 -4.683 4.567 1.00 55.45 H new ATOM 0 HD2 HIS A 77 10.574 -7.194 1.947 1.00 72.14 H new ATOM 0 HE1 HIS A 77 10.905 -4.661 5.333 1.00 2.51 H new ATOM 1130 N VAL A 78 7.872 -3.604 0.800 1.00 61.34 N ATOM 1131 CA VAL A 78 8.573 -2.417 0.327 1.00 44.32 C ATOM 1132 C VAL A 78 7.932 -1.146 0.873 1.00 43.00 C ATOM 1133 O VAL A 78 6.866 -0.732 0.418 1.00 12.23 O ATOM 1134 CB VAL A 78 8.590 -2.350 -1.212 1.00 12.11 C ATOM 1135 CG1 VAL A 78 9.528 -3.403 -1.782 1.00 51.33 C ATOM 1136 CG2 VAL A 78 7.184 -2.520 -1.767 1.00 53.21 C ATOM 0 H VAL A 78 7.658 -4.285 0.072 1.00 61.34 H new ATOM 0 HA VAL A 78 9.598 -2.489 0.691 1.00 44.32 H new ATOM 0 HB VAL A 78 8.959 -1.369 -1.512 1.00 12.11 H new ATOM 0 HG11 VAL A 78 9.527 -3.340 -2.870 1.00 51.33 H new ATOM 0 HG12 VAL A 78 10.538 -3.231 -1.410 1.00 51.33 H new ATOM 0 HG13 VAL A 78 9.192 -4.394 -1.475 1.00 51.33 H new ATOM 0 HG21 VAL A 78 7.214 -2.470 -2.855 1.00 53.21 H new ATOM 0 HG22 VAL A 78 6.786 -3.487 -1.459 1.00 53.21 H new ATOM 0 HG23 VAL A 78 6.543 -1.725 -1.385 1.00 53.21 H new ATOM 1146 N ARG A 79 8.590 -0.531 1.851 1.00 72.14 N ATOM 1147 CA ARG A 79 8.084 0.693 2.460 1.00 74.11 C ATOM 1148 C ARG A 79 9.232 1.602 2.889 1.00 32.53 C ATOM 1149 O ARG A 79 10.373 1.168 3.046 1.00 5.35 O ATOM 1150 CB ARG A 79 7.203 0.361 3.666 1.00 1.20 C ATOM 1151 CG ARG A 79 5.720 0.577 3.415 1.00 74.42 C ATOM 1152 CD ARG A 79 4.907 -0.652 3.791 1.00 72.54 C ATOM 1153 NE ARG A 79 3.492 -0.338 3.973 1.00 62.30 N ATOM 1154 CZ ARG A 79 3.022 0.366 4.997 1.00 72.35 C ATOM 1155 NH1 ARG A 79 3.849 0.827 5.924 1.00 22.33 N ATOM 1156 NH2 ARG A 79 1.721 0.610 5.093 1.00 2.31 N ATOM 0 H ARG A 79 9.474 -0.861 2.238 1.00 72.14 H new ATOM 0 HA ARG A 79 7.486 1.219 1.716 1.00 74.11 H new ATOM 0 HB2 ARG A 79 7.367 -0.679 3.950 1.00 1.20 H new ATOM 0 HB3 ARG A 79 7.513 0.975 4.512 1.00 1.20 H new ATOM 0 HG2 ARG A 79 5.373 1.434 3.992 1.00 74.42 H new ATOM 0 HG3 ARG A 79 5.558 0.814 2.363 1.00 74.42 H new ATOM 0 HD2 ARG A 79 5.013 -1.409 3.014 1.00 72.54 H new ATOM 0 HD3 ARG A 79 5.304 -1.082 4.711 1.00 72.54 H new ATOM 0 HE ARG A 79 2.829 -0.678 3.276 1.00 62.30 H new ATOM 0 HH11 ARG A 79 4.849 0.642 5.853 1.00 22.33 H new ATOM 0 HH12 ARG A 79 3.485 1.367 6.709 1.00 22.33 H new ATOM 0 HH21 ARG A 79 1.082 0.257 4.381 1.00 2.31 H new ATOM 0 HH22 ARG A 79 1.360 1.150 5.879 1.00 2.31 H new ATOM 1170 N PRO A 80 8.924 2.893 3.083 1.00 22.44 N ATOM 1171 CA PRO A 80 9.916 3.889 3.497 1.00 5.21 C ATOM 1172 C PRO A 80 10.381 3.682 4.935 1.00 43.44 C ATOM 1173 O PRO A 80 9.659 3.995 5.881 1.00 23.44 O ATOM 1174 CB PRO A 80 9.164 5.215 3.364 1.00 51.51 C ATOM 1175 CG PRO A 80 7.727 4.852 3.511 1.00 73.14 C ATOM 1176 CD PRO A 80 7.584 3.479 2.914 1.00 30.25 C ATOM 0 HA PRO A 80 10.823 3.835 2.895 1.00 5.21 H new ATOM 0 HB2 PRO A 80 9.474 5.924 4.131 1.00 51.51 H new ATOM 0 HB3 PRO A 80 9.357 5.685 2.399 1.00 51.51 H new ATOM 0 HG2 PRO A 80 7.429 4.855 4.559 1.00 73.14 H new ATOM 0 HG3 PRO A 80 7.088 5.570 2.996 1.00 73.14 H new ATOM 0 HD2 PRO A 80 6.822 2.894 3.429 1.00 30.25 H new ATOM 0 HD3 PRO A 80 7.295 3.525 1.864 1.00 30.25 H new ATOM 1184 N SER A 81 11.591 3.155 5.090 1.00 23.24 N ATOM 1185 CA SER A 81 12.151 2.903 6.413 1.00 10.32 C ATOM 1186 C SER A 81 11.274 1.933 7.199 1.00 61.14 C ATOM 1187 O SER A 81 11.059 2.105 8.398 1.00 53.31 O ATOM 1188 CB SER A 81 12.298 4.216 7.186 1.00 71.41 C ATOM 1189 OG SER A 81 12.810 5.242 6.354 1.00 12.54 O ATOM 0 H SER A 81 12.202 2.894 4.316 1.00 23.24 H new ATOM 0 HA SER A 81 13.135 2.453 6.284 1.00 10.32 H new ATOM 0 HB2 SER A 81 11.330 4.517 7.586 1.00 71.41 H new ATOM 0 HB3 SER A 81 12.962 4.068 8.037 1.00 71.41 H new ATOM 0 HG SER A 81 12.893 6.071 6.870 1.00 12.54 H new ATOM 1195 N ALA A 82 10.771 0.912 6.512 1.00 13.14 N ATOM 1196 CA ALA A 82 9.919 -0.087 7.145 1.00 71.52 C ATOM 1197 C ALA A 82 10.750 -1.213 7.752 1.00 43.44 C ATOM 1198 O ALA A 82 11.457 -1.927 7.041 1.00 22.53 O ATOM 1199 CB ALA A 82 8.925 -0.647 6.138 1.00 71.01 C ATOM 0 H ALA A 82 10.939 0.755 5.518 1.00 13.14 H new ATOM 0 HA ALA A 82 9.369 0.399 7.951 1.00 71.52 H new ATOM 0 HB1 ALA A 82 8.295 -1.392 6.624 1.00 71.01 H new ATOM 0 HB2 ALA A 82 8.302 0.161 5.754 1.00 71.01 H new ATOM 0 HB3 ALA A 82 9.465 -1.111 5.313 1.00 71.01 H new ATOM 1205 N SER A 83 10.661 -1.364 9.069 1.00 2.32 N ATOM 1206 CA SER A 83 11.409 -2.399 9.772 1.00 22.51 C ATOM 1207 C SER A 83 10.467 -3.443 10.364 1.00 73.22 C ATOM 1208 O SER A 83 9.541 -3.110 11.105 1.00 25.51 O ATOM 1209 CB SER A 83 12.262 -1.779 10.880 1.00 31.15 C ATOM 1210 OG SER A 83 11.789 -0.489 11.226 1.00 11.12 O ATOM 0 H SER A 83 10.078 -0.782 9.671 1.00 2.32 H new ATOM 0 HA SER A 83 12.063 -2.891 9.052 1.00 22.51 H new ATOM 0 HB2 SER A 83 12.246 -2.423 11.759 1.00 31.15 H new ATOM 0 HB3 SER A 83 13.299 -1.713 10.551 1.00 31.15 H new ATOM 0 HG SER A 83 12.350 -0.115 11.937 1.00 11.12 H new ATOM 1216 N ILE A 84 10.709 -4.706 10.031 1.00 61.44 N ATOM 1217 CA ILE A 84 9.884 -5.799 10.529 1.00 35.32 C ATOM 1218 C ILE A 84 10.722 -7.045 10.794 1.00 60.22 C ATOM 1219 O ILE A 84 11.760 -7.269 10.171 1.00 43.11 O ATOM 1220 CB ILE A 84 8.758 -6.152 9.539 1.00 65.35 C ATOM 1221 CG1 ILE A 84 9.312 -6.984 8.380 1.00 71.41 C ATOM 1222 CG2 ILE A 84 8.094 -4.886 9.019 1.00 61.24 C ATOM 1223 CD1 ILE A 84 10.389 -6.277 7.588 1.00 3.34 C ATOM 0 H ILE A 84 11.470 -4.998 9.418 1.00 61.44 H new ATOM 0 HA ILE A 84 9.440 -5.457 11.464 1.00 35.32 H new ATOM 0 HB ILE A 84 8.007 -6.745 10.061 1.00 65.35 H new ATOM 0 HG12 ILE A 84 9.715 -7.917 8.774 1.00 71.41 H new ATOM 0 HG13 ILE A 84 8.494 -7.248 7.710 1.00 71.41 H new ATOM 0 HG21 ILE A 84 7.301 -5.152 8.321 1.00 61.24 H new ATOM 0 HG22 ILE A 84 7.670 -4.328 9.854 1.00 61.24 H new ATOM 0 HG23 ILE A 84 8.835 -4.270 8.509 1.00 61.24 H new ATOM 0 HD11 ILE A 84 10.734 -6.926 6.783 1.00 3.34 H new ATOM 0 HD12 ILE A 84 9.985 -5.358 7.164 1.00 3.34 H new ATOM 0 HD13 ILE A 84 11.225 -6.037 8.245 1.00 3.34 H new ATOM 1235 N PRO A 85 10.262 -7.878 11.739 1.00 70.41 N ATOM 1236 CA PRO A 85 10.953 -9.118 12.106 1.00 1.12 C ATOM 1237 C PRO A 85 10.881 -10.170 11.005 1.00 72.11 C ATOM 1238 O PRO A 85 9.852 -10.325 10.347 1.00 51.22 O ATOM 1239 CB PRO A 85 10.195 -9.592 13.349 1.00 44.40 C ATOM 1240 CG PRO A 85 8.837 -8.995 13.215 1.00 40.11 C ATOM 1241 CD PRO A 85 9.031 -7.675 12.521 1.00 2.24 C ATOM 0 HA PRO A 85 12.018 -8.956 12.275 1.00 1.12 H new ATOM 0 HB2 PRO A 85 10.147 -10.680 13.392 1.00 44.40 H new ATOM 0 HB3 PRO A 85 10.686 -9.258 14.263 1.00 44.40 H new ATOM 0 HG2 PRO A 85 8.180 -9.646 12.638 1.00 40.11 H new ATOM 0 HG3 PRO A 85 8.373 -8.858 14.192 1.00 40.11 H new ATOM 0 HD2 PRO A 85 8.184 -7.430 11.880 1.00 2.24 H new ATOM 0 HD3 PRO A 85 9.138 -6.858 13.234 1.00 2.24 H new ATOM 1249 N VAL A 86 11.980 -10.892 10.809 1.00 33.15 N ATOM 1250 CA VAL A 86 12.040 -11.931 9.789 1.00 61.34 C ATOM 1251 C VAL A 86 12.825 -13.141 10.282 1.00 23.40 C ATOM 1252 O VAL A 86 13.754 -13.010 11.080 1.00 53.53 O ATOM 1253 CB VAL A 86 12.686 -11.408 8.492 1.00 2.32 C ATOM 1254 CG1 VAL A 86 12.559 -12.436 7.379 1.00 62.31 C ATOM 1255 CG2 VAL A 86 12.058 -10.085 8.081 1.00 10.41 C ATOM 0 H VAL A 86 12.841 -10.776 11.344 1.00 33.15 H new ATOM 0 HA VAL A 86 11.012 -12.229 9.580 1.00 61.34 H new ATOM 0 HB VAL A 86 13.747 -11.239 8.678 1.00 2.32 H new ATOM 0 HG11 VAL A 86 13.021 -12.048 6.471 1.00 62.31 H new ATOM 0 HG12 VAL A 86 13.060 -13.358 7.676 1.00 62.31 H new ATOM 0 HG13 VAL A 86 11.505 -12.640 7.191 1.00 62.31 H new ATOM 0 HG21 VAL A 86 12.526 -9.730 7.163 1.00 10.41 H new ATOM 0 HG22 VAL A 86 10.990 -10.226 7.913 1.00 10.41 H new ATOM 0 HG23 VAL A 86 12.207 -9.350 8.872 1.00 10.41 H new ATOM 1265 N VAL A 87 12.447 -14.322 9.802 1.00 52.43 N ATOM 1266 CA VAL A 87 13.116 -15.556 10.192 1.00 24.43 C ATOM 1267 C VAL A 87 13.963 -16.107 9.050 1.00 30.55 C ATOM 1268 O VAL A 87 13.501 -16.210 7.914 1.00 35.41 O ATOM 1269 CB VAL A 87 12.103 -16.630 10.630 1.00 72.41 C ATOM 1270 CG1 VAL A 87 10.996 -16.773 9.596 1.00 10.03 C ATOM 1271 CG2 VAL A 87 12.803 -17.961 10.860 1.00 21.12 C ATOM 0 H VAL A 87 11.680 -14.449 9.142 1.00 52.43 H new ATOM 0 HA VAL A 87 13.763 -15.312 11.035 1.00 24.43 H new ATOM 0 HB VAL A 87 11.651 -16.316 11.571 1.00 72.41 H new ATOM 0 HG11 VAL A 87 10.290 -17.536 9.922 1.00 10.03 H new ATOM 0 HG12 VAL A 87 10.476 -15.821 9.485 1.00 10.03 H new ATOM 0 HG13 VAL A 87 11.428 -17.064 8.638 1.00 10.03 H new ATOM 0 HG21 VAL A 87 12.072 -18.708 11.169 1.00 21.12 H new ATOM 0 HG22 VAL A 87 13.284 -18.284 9.936 1.00 21.12 H new ATOM 0 HG23 VAL A 87 13.556 -17.846 11.640 1.00 21.12 H new ATOM 1281 N PHE A 88 15.206 -16.461 9.360 1.00 31.21 N ATOM 1282 CA PHE A 88 16.119 -17.002 8.360 1.00 54.05 C ATOM 1283 C PHE A 88 16.652 -18.365 8.790 1.00 74.51 C ATOM 1284 O PHE A 88 16.796 -18.640 9.981 1.00 2.42 O ATOM 1285 CB PHE A 88 17.283 -16.037 8.126 1.00 20.21 C ATOM 1286 CG PHE A 88 17.060 -15.095 6.977 1.00 22.54 C ATOM 1287 CD1 PHE A 88 16.811 -13.752 7.204 1.00 1.43 C ATOM 1288 CD2 PHE A 88 17.099 -15.554 5.671 1.00 63.44 C ATOM 1289 CE1 PHE A 88 16.606 -12.882 6.150 1.00 70.25 C ATOM 1290 CE2 PHE A 88 16.895 -14.690 4.612 1.00 44.21 C ATOM 1291 CZ PHE A 88 16.647 -13.352 4.852 1.00 62.34 C ATOM 0 H PHE A 88 15.604 -16.383 10.296 1.00 31.21 H new ATOM 0 HA PHE A 88 15.566 -17.126 7.429 1.00 54.05 H new ATOM 0 HB2 PHE A 88 17.451 -15.457 9.033 1.00 20.21 H new ATOM 0 HB3 PHE A 88 18.190 -16.613 7.943 1.00 20.21 H new ATOM 0 HD1 PHE A 88 16.777 -13.380 8.217 1.00 1.43 H new ATOM 0 HD2 PHE A 88 17.291 -16.599 5.478 1.00 63.44 H new ATOM 0 HE1 PHE A 88 16.414 -11.836 6.341 1.00 70.25 H new ATOM 0 HE2 PHE A 88 16.929 -15.060 3.598 1.00 44.21 H new ATOM 0 HZ PHE A 88 16.486 -12.675 4.026 1.00 62.34 H new ATOM 1301 N SER A 89 16.941 -19.217 7.811 1.00 5.31 N ATOM 1302 CA SER A 89 17.454 -20.554 8.087 1.00 2.55 C ATOM 1303 C SER A 89 18.692 -20.846 7.245 1.00 51.43 C ATOM 1304 O SER A 89 18.815 -20.368 6.117 1.00 43.32 O ATOM 1305 CB SER A 89 16.376 -21.603 7.812 1.00 61.43 C ATOM 1306 OG SER A 89 15.714 -21.980 9.006 1.00 33.34 O ATOM 0 H SER A 89 16.829 -19.005 6.820 1.00 5.31 H new ATOM 0 HA SER A 89 17.734 -20.599 9.139 1.00 2.55 H new ATOM 0 HB2 SER A 89 15.652 -21.206 7.101 1.00 61.43 H new ATOM 0 HB3 SER A 89 16.828 -22.481 7.351 1.00 61.43 H new ATOM 0 HG SER A 89 16.374 -22.115 9.717 1.00 33.34 H new ATOM 1312 N ARG A 90 19.606 -21.634 7.801 1.00 41.23 N ATOM 1313 CA ARG A 90 20.835 -21.989 7.102 1.00 63.40 C ATOM 1314 C ARG A 90 21.090 -23.492 7.180 1.00 51.21 C ATOM 1315 O ARG A 90 21.761 -23.971 8.094 1.00 64.23 O ATOM 1316 CB ARG A 90 22.023 -21.229 7.695 1.00 14.31 C ATOM 1317 CG ARG A 90 23.165 -21.022 6.714 1.00 22.32 C ATOM 1318 CD ARG A 90 23.179 -19.604 6.166 1.00 61.14 C ATOM 1319 NE ARG A 90 24.174 -19.435 5.110 1.00 72.44 N ATOM 1320 CZ ARG A 90 25.482 -19.379 5.334 1.00 32.23 C ATOM 1321 NH1 ARG A 90 25.950 -19.478 6.571 1.00 63.03 N ATOM 1322 NH2 ARG A 90 26.324 -19.224 4.321 1.00 62.21 N ATOM 0 H ARG A 90 19.519 -22.039 8.733 1.00 41.23 H new ATOM 0 HA ARG A 90 20.720 -21.710 6.054 1.00 63.40 H new ATOM 0 HB2 ARG A 90 21.681 -20.257 8.051 1.00 14.31 H new ATOM 0 HB3 ARG A 90 22.395 -21.773 8.563 1.00 14.31 H new ATOM 0 HG2 ARG A 90 24.113 -21.231 7.209 1.00 22.32 H new ATOM 0 HG3 ARG A 90 23.072 -21.730 5.891 1.00 22.32 H new ATOM 0 HD2 ARG A 90 22.192 -19.356 5.777 1.00 61.14 H new ATOM 0 HD3 ARG A 90 23.387 -18.905 6.976 1.00 61.14 H new ATOM 0 HE ARG A 90 23.846 -19.356 4.147 1.00 72.44 H new ATOM 0 HH11 ARG A 90 25.305 -19.597 7.352 1.00 63.03 H new ATOM 0 HH12 ARG A 90 26.955 -19.435 6.741 1.00 63.03 H new ATOM 0 HH21 ARG A 90 25.967 -19.148 3.368 1.00 62.21 H new ATOM 0 HH22 ARG A 90 27.328 -19.181 4.495 1.00 62.21 H new ATOM 1336 N ASP A 91 20.549 -24.229 6.216 1.00 12.03 N ATOM 1337 CA ASP A 91 20.717 -25.677 6.175 1.00 5.12 C ATOM 1338 C ASP A 91 20.117 -26.329 7.416 1.00 31.44 C ATOM 1339 O ASP A 91 20.674 -27.282 7.961 1.00 41.42 O ATOM 1340 CB ASP A 91 22.200 -26.036 6.062 1.00 72.14 C ATOM 1341 CG ASP A 91 22.975 -25.038 5.225 1.00 50.45 C ATOM 1342 OD1 ASP A 91 22.496 -24.684 4.127 1.00 74.55 O ATOM 1343 OD2 ASP A 91 24.061 -24.609 5.668 1.00 55.52 O ATOM 0 H ASP A 91 19.990 -23.848 5.453 1.00 12.03 H new ATOM 0 HA ASP A 91 20.191 -26.055 5.298 1.00 5.12 H new ATOM 0 HB2 ASP A 91 22.636 -26.085 7.060 1.00 72.14 H new ATOM 0 HB3 ASP A 91 22.298 -27.028 5.622 1.00 72.14 H new ATOM 1348 N GLY A 92 18.976 -25.809 7.860 1.00 63.05 N ATOM 1349 CA GLY A 92 18.320 -26.353 9.034 1.00 12.40 C ATOM 1350 C GLY A 92 18.563 -25.515 10.274 1.00 61.31 C ATOM 1351 O GLY A 92 17.893 -25.691 11.292 1.00 65.01 O ATOM 0 H GLY A 92 18.495 -25.021 7.427 1.00 63.05 H new ATOM 0 HA2 GLY A 92 17.248 -26.420 8.849 1.00 12.40 H new ATOM 0 HA3 GLY A 92 18.678 -27.368 9.209 1.00 12.40 H new ATOM 1355 N VAL A 93 19.526 -24.602 10.190 1.00 34.32 N ATOM 1356 CA VAL A 93 19.856 -23.735 11.314 1.00 4.24 C ATOM 1357 C VAL A 93 18.709 -22.782 11.629 1.00 0.42 C ATOM 1358 O VAL A 93 18.029 -22.293 10.727 1.00 15.44 O ATOM 1359 CB VAL A 93 21.129 -22.914 11.034 1.00 1.23 C ATOM 1360 CG1 VAL A 93 21.351 -21.882 12.130 1.00 51.15 C ATOM 1361 CG2 VAL A 93 22.336 -23.831 10.902 1.00 53.30 C ATOM 0 H VAL A 93 20.091 -24.444 9.355 1.00 34.32 H new ATOM 0 HA VAL A 93 20.032 -24.383 12.173 1.00 4.24 H new ATOM 0 HB VAL A 93 20.998 -22.384 10.090 1.00 1.23 H new ATOM 0 HG11 VAL A 93 22.255 -21.312 11.915 1.00 51.15 H new ATOM 0 HG12 VAL A 93 20.497 -21.206 12.172 1.00 51.15 H new ATOM 0 HG13 VAL A 93 21.461 -22.388 13.089 1.00 51.15 H new ATOM 0 HG21 VAL A 93 23.226 -23.234 10.704 1.00 53.30 H new ATOM 0 HG22 VAL A 93 22.472 -24.389 11.828 1.00 53.30 H new ATOM 0 HG23 VAL A 93 22.176 -24.527 10.079 1.00 53.30 H new ATOM 1371 N VAL A 94 18.500 -22.521 12.916 1.00 55.12 N ATOM 1372 CA VAL A 94 17.435 -21.624 13.351 1.00 61.43 C ATOM 1373 C VAL A 94 18.006 -20.349 13.961 1.00 32.30 C ATOM 1374 O VAL A 94 18.628 -20.382 15.022 1.00 4.30 O ATOM 1375 CB VAL A 94 16.513 -22.305 14.380 1.00 65.30 C ATOM 1376 CG1 VAL A 94 15.434 -21.342 14.850 1.00 3.12 C ATOM 1377 CG2 VAL A 94 15.896 -23.564 13.791 1.00 72.34 C ATOM 0 H VAL A 94 19.054 -22.918 13.675 1.00 55.12 H new ATOM 0 HA VAL A 94 16.853 -21.370 12.465 1.00 61.43 H new ATOM 0 HB VAL A 94 17.112 -22.592 15.245 1.00 65.30 H new ATOM 0 HG11 VAL A 94 14.792 -21.841 15.576 1.00 3.12 H new ATOM 0 HG12 VAL A 94 15.899 -20.472 15.314 1.00 3.12 H new ATOM 0 HG13 VAL A 94 14.836 -21.022 13.997 1.00 3.12 H new ATOM 0 HG21 VAL A 94 15.248 -24.032 14.532 1.00 72.34 H new ATOM 0 HG22 VAL A 94 15.311 -23.304 12.909 1.00 72.34 H new ATOM 0 HG23 VAL A 94 16.687 -24.259 13.510 1.00 72.34 H new ATOM 1387 N MET A 95 17.788 -19.227 13.283 1.00 5.24 N ATOM 1388 CA MET A 95 18.280 -17.939 13.760 1.00 20.43 C ATOM 1389 C MET A 95 17.288 -16.826 13.439 1.00 11.05 C ATOM 1390 O MET A 95 16.488 -16.943 12.512 1.00 75.43 O ATOM 1391 CB MET A 95 19.639 -17.624 13.133 1.00 41.14 C ATOM 1392 CG MET A 95 20.392 -16.510 13.842 1.00 62.21 C ATOM 1393 SD MET A 95 20.887 -16.963 15.516 1.00 41.34 S ATOM 1394 CE MET A 95 22.664 -17.082 15.323 1.00 72.34 C ATOM 0 H MET A 95 17.275 -19.183 12.403 1.00 5.24 H new ATOM 0 HA MET A 95 18.393 -17.999 14.842 1.00 20.43 H new ATOM 0 HB2 MET A 95 20.251 -18.526 13.139 1.00 41.14 H new ATOM 0 HB3 MET A 95 19.493 -17.345 12.089 1.00 41.14 H new ATOM 0 HG2 MET A 95 21.278 -16.250 13.263 1.00 62.21 H new ATOM 0 HG3 MET A 95 19.764 -15.620 13.881 1.00 62.21 H new ATOM 0 HE1 MET A 95 23.116 -17.356 16.276 1.00 72.34 H new ATOM 0 HE2 MET A 95 22.899 -17.842 14.578 1.00 72.34 H new ATOM 0 HE3 MET A 95 23.060 -16.120 14.997 1.00 72.34 H new ATOM 1404 N SER A 96 17.346 -15.746 14.213 1.00 61.51 N ATOM 1405 CA SER A 96 16.450 -14.614 14.013 1.00 13.21 C ATOM 1406 C SER A 96 17.238 -13.346 13.698 1.00 70.25 C ATOM 1407 O SER A 96 18.191 -13.005 14.397 1.00 11.51 O ATOM 1408 CB SER A 96 15.586 -14.394 15.257 1.00 71.54 C ATOM 1409 OG SER A 96 16.329 -13.772 16.290 1.00 13.52 O ATOM 0 H SER A 96 18.004 -15.632 14.984 1.00 61.51 H new ATOM 0 HA SER A 96 15.804 -14.840 13.165 1.00 13.21 H new ATOM 0 HB2 SER A 96 14.725 -13.776 15.001 1.00 71.54 H new ATOM 0 HB3 SER A 96 15.199 -15.350 15.608 1.00 71.54 H new ATOM 0 HG SER A 96 15.754 -13.641 17.073 1.00 13.52 H new ATOM 1415 N ALA A 97 16.833 -12.653 12.638 1.00 35.25 N ATOM 1416 CA ALA A 97 17.498 -11.423 12.230 1.00 4.42 C ATOM 1417 C ALA A 97 16.490 -10.389 11.740 1.00 32.13 C ATOM 1418 O ALA A 97 15.532 -10.723 11.042 1.00 13.13 O ATOM 1419 CB ALA A 97 18.527 -11.713 11.148 1.00 63.33 C ATOM 0 H ALA A 97 16.047 -12.924 12.047 1.00 35.25 H new ATOM 0 HA ALA A 97 18.008 -11.010 13.100 1.00 4.42 H new ATOM 0 HB1 ALA A 97 19.016 -10.785 10.853 1.00 63.33 H new ATOM 0 HB2 ALA A 97 19.272 -12.410 11.532 1.00 63.33 H new ATOM 0 HB3 ALA A 97 18.031 -12.153 10.283 1.00 63.33 H new ATOM 1425 N THR A 98 16.711 -9.131 12.111 1.00 75.53 N ATOM 1426 CA THR A 98 15.820 -8.049 11.711 1.00 61.44 C ATOM 1427 C THR A 98 16.175 -7.530 10.322 1.00 71.41 C ATOM 1428 O THR A 98 17.345 -7.296 10.017 1.00 54.10 O ATOM 1429 CB THR A 98 15.872 -6.880 12.712 1.00 73.01 C ATOM 1430 OG1 THR A 98 16.342 -7.343 13.982 1.00 21.55 O ATOM 1431 CG2 THR A 98 14.499 -6.246 12.874 1.00 14.24 C ATOM 0 H THR A 98 17.499 -8.837 12.688 1.00 75.53 H new ATOM 0 HA THR A 98 14.810 -8.460 11.696 1.00 61.44 H new ATOM 0 HB THR A 98 16.559 -6.128 12.324 1.00 73.01 H new ATOM 0 HG1 THR A 98 16.374 -6.593 14.612 1.00 21.55 H new ATOM 0 HG21 THR A 98 14.560 -5.423 13.586 1.00 14.24 H new ATOM 0 HG22 THR A 98 14.157 -5.868 11.911 1.00 14.24 H new ATOM 0 HG23 THR A 98 13.795 -6.992 13.242 1.00 14.24 H new ATOM 1439 N ILE A 99 15.159 -7.352 9.484 1.00 32.54 N ATOM 1440 CA ILE A 99 15.365 -6.859 8.128 1.00 35.14 C ATOM 1441 C ILE A 99 14.721 -5.490 7.938 1.00 1.20 C ATOM 1442 O ILE A 99 13.505 -5.341 8.061 1.00 3.42 O ATOM 1443 CB ILE A 99 14.791 -7.833 7.082 1.00 65.01 C ATOM 1444 CG1 ILE A 99 15.175 -9.273 7.430 1.00 55.12 C ATOM 1445 CG2 ILE A 99 15.288 -7.468 5.691 1.00 62.30 C ATOM 1446 CD1 ILE A 99 16.668 -9.493 7.532 1.00 34.12 C ATOM 0 H ILE A 99 14.185 -7.542 9.720 1.00 32.54 H new ATOM 0 HA ILE A 99 16.442 -6.775 7.982 1.00 35.14 H new ATOM 0 HB ILE A 99 13.704 -7.754 7.091 1.00 65.01 H new ATOM 0 HG12 ILE A 99 14.710 -9.545 8.378 1.00 55.12 H new ATOM 0 HG13 ILE A 99 14.768 -9.942 6.672 1.00 55.12 H new ATOM 0 HG21 ILE A 99 14.874 -8.165 4.962 1.00 62.30 H new ATOM 0 HG22 ILE A 99 14.970 -6.455 5.445 1.00 62.30 H new ATOM 0 HG23 ILE A 99 16.376 -7.522 5.668 1.00 62.30 H new ATOM 0 HD11 ILE A 99 16.866 -10.535 7.781 1.00 34.12 H new ATOM 0 HD12 ILE A 99 17.137 -9.253 6.578 1.00 34.12 H new ATOM 0 HD13 ILE A 99 17.078 -8.850 8.310 1.00 34.12 H new ATOM 1458 N VAL A 100 15.545 -4.492 7.635 1.00 1.42 N ATOM 1459 CA VAL A 100 15.057 -3.134 7.424 1.00 34.24 C ATOM 1460 C VAL A 100 15.349 -2.659 6.006 1.00 43.13 C ATOM 1461 O VAL A 100 16.504 -2.440 5.639 1.00 53.54 O ATOM 1462 CB VAL A 100 15.689 -2.148 8.425 1.00 72.51 C ATOM 1463 CG1 VAL A 100 15.028 -0.782 8.319 1.00 63.42 C ATOM 1464 CG2 VAL A 100 15.587 -2.690 9.843 1.00 72.43 C ATOM 0 H VAL A 100 16.554 -4.598 7.530 1.00 1.42 H new ATOM 0 HA VAL A 100 13.979 -3.158 7.581 1.00 34.24 H new ATOM 0 HB VAL A 100 16.745 -2.034 8.179 1.00 72.51 H new ATOM 0 HG11 VAL A 100 15.487 -0.099 9.034 1.00 63.42 H new ATOM 0 HG12 VAL A 100 15.158 -0.392 7.309 1.00 63.42 H new ATOM 0 HG13 VAL A 100 13.964 -0.875 8.538 1.00 63.42 H new ATOM 0 HG21 VAL A 100 16.038 -1.981 10.537 1.00 72.43 H new ATOM 0 HG22 VAL A 100 14.538 -2.834 10.103 1.00 72.43 H new ATOM 0 HG23 VAL A 100 16.111 -3.644 9.907 1.00 72.43 H new ATOM 1474 N VAL A 101 14.295 -2.501 5.211 1.00 4.11 N ATOM 1475 CA VAL A 101 14.439 -2.050 3.832 1.00 15.30 C ATOM 1476 C VAL A 101 14.045 -0.584 3.690 1.00 54.22 C ATOM 1477 O VAL A 101 13.245 -0.067 4.468 1.00 14.33 O ATOM 1478 CB VAL A 101 13.581 -2.896 2.873 1.00 54.13 C ATOM 1479 CG1 VAL A 101 13.927 -2.579 1.426 1.00 64.51 C ATOM 1480 CG2 VAL A 101 13.764 -4.378 3.162 1.00 72.14 C ATOM 0 H VAL A 101 13.333 -2.679 5.498 1.00 4.11 H new ATOM 0 HA VAL A 101 15.490 -2.168 3.568 1.00 15.30 H new ATOM 0 HB VAL A 101 12.533 -2.645 3.033 1.00 54.13 H new ATOM 0 HG11 VAL A 101 13.311 -3.186 0.763 1.00 64.51 H new ATOM 0 HG12 VAL A 101 13.739 -1.523 1.230 1.00 64.51 H new ATOM 0 HG13 VAL A 101 14.979 -2.800 1.247 1.00 64.51 H new ATOM 0 HG21 VAL A 101 13.150 -4.961 2.475 1.00 72.14 H new ATOM 0 HG22 VAL A 101 14.812 -4.648 3.031 1.00 72.14 H new ATOM 0 HG23 VAL A 101 13.461 -4.589 4.188 1.00 72.14 H new ATOM 1490 N GLY A 102 14.613 0.082 2.688 1.00 35.44 N ATOM 1491 CA GLY A 102 14.308 1.482 2.461 1.00 1.35 C ATOM 1492 C GLY A 102 13.913 1.764 1.026 1.00 41.55 C ATOM 1493 O GLY A 102 14.744 1.692 0.121 1.00 24.32 O ATOM 0 H GLY A 102 15.279 -0.324 2.030 1.00 35.44 H new ATOM 0 HA2 GLY A 102 13.498 1.786 3.124 1.00 1.35 H new ATOM 0 HA3 GLY A 102 15.177 2.087 2.721 1.00 1.35 H new ATOM 1497 N GLU A 103 12.640 2.086 0.816 1.00 64.24 N ATOM 1498 CA GLU A 103 12.137 2.377 -0.522 1.00 3.13 C ATOM 1499 C GLU A 103 12.550 3.778 -0.965 1.00 65.43 C ATOM 1500 O GLU A 103 12.867 4.003 -2.134 1.00 65.21 O ATOM 1501 CB GLU A 103 10.613 2.248 -0.557 1.00 0.14 C ATOM 1502 CG GLU A 103 10.128 0.832 -0.815 1.00 31.41 C ATOM 1503 CD GLU A 103 11.042 -0.217 -0.211 1.00 72.25 C ATOM 1504 OE1 GLU A 103 11.608 -1.022 -0.980 1.00 23.41 O ATOM 1505 OE2 GLU A 103 11.190 -0.233 1.028 1.00 22.22 O ATOM 0 H GLU A 103 11.939 2.152 1.554 1.00 64.24 H new ATOM 0 HA GLU A 103 12.572 1.653 -1.212 1.00 3.13 H new ATOM 0 HB2 GLU A 103 10.206 2.595 0.392 1.00 0.14 H new ATOM 0 HB3 GLU A 103 10.219 2.905 -1.332 1.00 0.14 H new ATOM 0 HG2 GLU A 103 9.125 0.715 -0.404 1.00 31.41 H new ATOM 0 HG3 GLU A 103 10.053 0.668 -1.890 1.00 31.41 H new