USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 945 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 99 TYR OH : rot 30:sc= 0.824 USER MOD Set 1.2: A 114 THR OG1 : rot 115:sc= 1.76 USER MOD Set 2.1: A 85 TYR OH : rot 180:sc= 1.07 USER MOD Set 2.2: A 93 TYR OH : rot -81:sc= 1.32 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -133:sc= -0.182 (180deg=0) USER MOD Set 3.2: A 48 ASN : amide:sc= -3.91! C(o=-4.1!,f=-10!) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.955 K(o=-1.7,f=-2.4!) USER MOD Set 4.2: A 75 TYR OH : rot -130:sc= -0.747 USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= -0.0024 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.107 (180deg=-0.701) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.0852 (180deg=-1.07) USER MOD Single : A 6 ASN : amide:sc= -4.14! C(o=-4.1!,f=-3.2!) USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= 0.13 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 36 TYR OH : rot 172:sc= 0.163 USER MOD Single : A 38 MET CE :methyl -132:sc= -3.24 (180deg=-11.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -86:sc= -0.131 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -62:sc= 0.621 USER MOD Single : A 59 SER OG : rot 77:sc= -0.0668 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0143 (180deg=-0.131) USER MOD Single : A 72 GLN : amide:sc=-0.00428 K(o=-0.0043,f=0.94) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 76 HIS : no HD1:sc= -0.982 K(o=-0.98,f=-0.16) USER MOD Single : A 77 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.04) USER MOD Single : A 80 GLN : amide:sc= -1.39 K(o=-1.4,f=-2) USER MOD Single : A 87 LYS NZ :NH3+ 132:sc= -0.283 (180deg=-1.75!) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.107 (180deg=-0.531) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.71 K(o=-1.7,f=-6.7!) USER MOD Single : A 102 SER OG : rot -88:sc= 0.33 USER MOD Single : A 108 CYS SG : rot 40:sc= -0.0438 USER MOD Single : A 109 TYR OH : rot -27:sc= 0.265 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0.0011) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 60:sc= -1.56 USER MOD Single : A 125 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.053) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot -72:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.393 -0.668 -1.465 1.00 65.51 N ATOM 2 CA MET A 1 -7.502 0.305 -2.085 1.00 44.53 C ATOM 3 C MET A 1 -7.040 1.345 -1.069 1.00 34.14 C ATOM 4 O MET A 1 -7.750 1.645 -0.109 1.00 4.13 O ATOM 5 CB MET A 1 -8.203 0.997 -3.256 1.00 64.54 C ATOM 6 CG MET A 1 -9.584 1.527 -2.910 1.00 53.21 C ATOM 7 SD MET A 1 -9.731 3.305 -3.173 1.00 14.02 S ATOM 8 CE MET A 1 -11.433 3.579 -2.687 1.00 14.43 C ATOM 0 H1 MET A 1 -9.100 -0.984 -2.160 1.00 65.51 H new ATOM 0 H2 MET A 1 -7.840 -1.486 -1.137 1.00 65.51 H new ATOM 0 H3 MET A 1 -8.876 -0.230 -0.655 1.00 65.51 H new ATOM 0 HA MET A 1 -6.627 -0.228 -2.457 1.00 44.53 H new ATOM 0 HB2 MET A 1 -7.582 1.823 -3.603 1.00 64.54 H new ATOM 0 HB3 MET A 1 -8.290 0.293 -4.084 1.00 64.54 H new ATOM 0 HG2 MET A 1 -10.329 1.011 -3.516 1.00 53.21 H new ATOM 0 HG3 MET A 1 -9.806 1.298 -1.868 1.00 53.21 H new ATOM 0 HE1 MET A 1 -11.592 4.641 -2.503 1.00 14.43 H new ATOM 0 HE2 MET A 1 -12.097 3.245 -3.484 1.00 14.43 H new ATOM 0 HE3 MET A 1 -11.647 3.017 -1.778 1.00 14.43 H new ATOM 18 N ALA A 2 -5.848 1.890 -1.286 1.00 52.40 N ATOM 19 CA ALA A 2 -5.294 2.897 -0.390 1.00 2.25 C ATOM 20 C ALA A 2 -3.969 3.434 -0.920 1.00 4.35 C ATOM 21 O ALA A 2 -3.482 2.996 -1.963 1.00 11.11 O ATOM 22 CB ALA A 2 -5.111 2.318 1.006 1.00 43.15 C ATOM 0 H ALA A 2 -5.247 1.651 -2.075 1.00 52.40 H new ATOM 0 HA ALA A 2 -5.998 3.728 -0.338 1.00 2.25 H new ATOM 0 HB1 ALA A 2 -4.696 3.081 1.665 1.00 43.15 H new ATOM 0 HB2 ALA A 2 -6.076 1.989 1.393 1.00 43.15 H new ATOM 0 HB3 ALA A 2 -4.430 1.468 0.961 1.00 43.15 H new ATOM 28 N LEU A 3 -3.389 4.386 -0.196 1.00 34.44 N ATOM 29 CA LEU A 3 -2.120 4.984 -0.594 1.00 24.45 C ATOM 30 C LEU A 3 -1.124 4.966 0.562 1.00 65.45 C ATOM 31 O LEU A 3 -0.203 5.781 0.613 1.00 43.10 O ATOM 32 CB LEU A 3 -2.338 6.420 -1.072 1.00 4.13 C ATOM 33 CG LEU A 3 -1.768 6.763 -2.449 1.00 20.13 C ATOM 34 CD1 LEU A 3 -2.867 7.270 -3.370 1.00 2.03 C ATOM 35 CD2 LEU A 3 -0.656 7.794 -2.324 1.00 63.03 C ATOM 0 H LEU A 3 -3.778 4.760 0.670 1.00 34.44 H new ATOM 0 HA LEU A 3 -1.709 4.394 -1.413 1.00 24.45 H new ATOM 0 HB2 LEU A 3 -3.410 6.619 -1.085 1.00 4.13 H new ATOM 0 HB3 LEU A 3 -1.897 7.096 -0.340 1.00 4.13 H new ATOM 0 HG LEU A 3 -1.348 5.856 -2.884 1.00 20.13 H new ATOM 0 HD11 LEU A 3 -2.443 7.509 -4.345 1.00 2.03 H new ATOM 0 HD12 LEU A 3 -3.630 6.500 -3.485 1.00 2.03 H new ATOM 0 HD13 LEU A 3 -3.317 8.165 -2.941 1.00 2.03 H new ATOM 0 HD21 LEU A 3 -0.262 8.026 -3.313 1.00 63.03 H new ATOM 0 HD22 LEU A 3 -1.051 8.702 -1.869 1.00 63.03 H new ATOM 0 HD23 LEU A 3 0.143 7.393 -1.700 1.00 63.03 H new ATOM 47 N ASP A 4 -1.313 4.030 1.485 1.00 72.52 N ATOM 48 CA ASP A 4 -0.430 3.903 2.638 1.00 64.21 C ATOM 49 C ASP A 4 -0.390 5.201 3.438 1.00 51.34 C ATOM 50 O ASP A 4 0.571 5.469 4.158 1.00 31.01 O ATOM 51 CB ASP A 4 0.982 3.524 2.187 1.00 51.14 C ATOM 52 CG ASP A 4 0.977 2.581 1.000 1.00 74.04 C ATOM 53 OD1 ASP A 4 0.197 1.605 1.020 1.00 2.21 O ATOM 54 OD2 ASP A 4 1.751 2.819 0.050 1.00 43.12 O ATOM 0 H ASP A 4 -2.070 3.347 1.457 1.00 72.52 H new ATOM 0 HA ASP A 4 -0.823 3.114 3.279 1.00 64.21 H new ATOM 0 HB2 ASP A 4 1.532 4.428 1.927 1.00 51.14 H new ATOM 0 HB3 ASP A 4 1.512 3.056 3.017 1.00 51.14 H new ATOM 59 N ALA A 5 -1.440 6.005 3.304 1.00 33.31 N ATOM 60 CA ALA A 5 -1.526 7.275 4.015 1.00 61.54 C ATOM 61 C ALA A 5 -2.936 7.851 3.941 1.00 62.22 C ATOM 62 O ALA A 5 -3.170 8.858 3.275 1.00 15.42 O ATOM 63 CB ALA A 5 -0.519 8.265 3.449 1.00 63.31 C ATOM 0 H ALA A 5 -2.243 5.799 2.710 1.00 33.31 H new ATOM 0 HA ALA A 5 -1.291 7.093 5.064 1.00 61.54 H new ATOM 0 HB1 ALA A 5 -0.594 9.209 3.989 1.00 63.31 H new ATOM 0 HB2 ALA A 5 0.488 7.863 3.559 1.00 63.31 H new ATOM 0 HB3 ALA A 5 -0.729 8.434 2.393 1.00 63.31 H new ATOM 69 N ASN A 6 -3.871 7.204 4.629 1.00 52.03 N ATOM 70 CA ASN A 6 -5.259 7.652 4.640 1.00 50.32 C ATOM 71 C ASN A 6 -6.118 6.742 5.513 1.00 4.51 C ATOM 72 O ASN A 6 -5.636 5.744 6.049 1.00 2.54 O ATOM 73 CB ASN A 6 -5.817 7.686 3.216 1.00 53.13 C ATOM 74 CG ASN A 6 -5.192 6.630 2.324 1.00 10.44 C ATOM 75 OD1 ASN A 6 -4.524 6.949 1.341 1.00 50.14 O ATOM 76 ND2 ASN A 6 -5.407 5.365 2.666 1.00 40.32 N ATOM 0 H ASN A 6 -3.693 6.368 5.186 1.00 52.03 H new ATOM 0 HA ASN A 6 -5.286 8.658 5.058 1.00 50.32 H new ATOM 0 HB2 ASN A 6 -6.896 7.538 3.248 1.00 53.13 H new ATOM 0 HB3 ASN A 6 -5.643 8.672 2.784 1.00 53.13 H new ATOM 0 HD21 ASN A 6 -5.011 4.611 2.105 1.00 40.32 H new ATOM 0 HD22 ASN A 6 -5.968 5.148 3.490 1.00 40.32 H new ATOM 83 N ASP A 7 -7.391 7.094 5.651 1.00 73.34 N ATOM 84 CA ASP A 7 -8.318 6.308 6.457 1.00 13.31 C ATOM 85 C ASP A 7 -9.058 5.289 5.597 1.00 72.15 C ATOM 86 O ASP A 7 -10.095 4.757 5.998 1.00 45.54 O ATOM 87 CB ASP A 7 -9.321 7.226 7.158 1.00 31.35 C ATOM 88 CG ASP A 7 -10.487 7.601 6.264 1.00 23.53 C ATOM 89 OD1 ASP A 7 -10.242 8.152 5.171 1.00 62.40 O ATOM 90 OD2 ASP A 7 -11.644 7.344 6.658 1.00 22.43 O ATOM 0 H ASP A 7 -7.805 7.918 5.215 1.00 73.34 H new ATOM 0 HA ASP A 7 -7.741 5.770 7.209 1.00 13.31 H new ATOM 0 HB2 ASP A 7 -9.698 6.731 8.053 1.00 31.35 H new ATOM 0 HB3 ASP A 7 -8.812 8.133 7.485 1.00 31.35 H new ATOM 95 N LEU A 8 -8.520 5.021 4.412 1.00 53.23 N ATOM 96 CA LEU A 8 -9.130 4.066 3.493 1.00 22.10 C ATOM 97 C LEU A 8 -8.530 2.676 3.676 1.00 22.51 C ATOM 98 O LEU A 8 -9.034 1.693 3.131 1.00 54.15 O ATOM 99 CB LEU A 8 -8.943 4.528 2.047 1.00 44.30 C ATOM 100 CG LEU A 8 -10.009 5.480 1.503 1.00 31.41 C ATOM 101 CD1 LEU A 8 -9.481 6.905 1.461 1.00 13.21 C ATOM 102 CD2 LEU A 8 -10.464 5.036 0.120 1.00 2.31 C ATOM 0 H LEU A 8 -7.663 5.451 4.065 1.00 53.23 H new ATOM 0 HA LEU A 8 -10.196 4.014 3.716 1.00 22.10 H new ATOM 0 HB2 LEU A 8 -7.972 5.017 1.966 1.00 44.30 H new ATOM 0 HB3 LEU A 8 -8.911 3.647 1.406 1.00 44.30 H new ATOM 0 HG LEU A 8 -10.869 5.453 2.172 1.00 31.41 H new ATOM 0 HD11 LEU A 8 -10.253 7.568 1.071 1.00 13.21 H new ATOM 0 HD12 LEU A 8 -9.206 7.221 2.467 1.00 13.21 H new ATOM 0 HD13 LEU A 8 -8.605 6.949 0.814 1.00 13.21 H new ATOM 0 HD21 LEU A 8 -11.223 5.725 -0.252 1.00 2.31 H new ATOM 0 HD22 LEU A 8 -9.612 5.033 -0.560 1.00 2.31 H new ATOM 0 HD23 LEU A 8 -10.884 4.032 0.180 1.00 2.31 H new ATOM 114 N LEU A 9 -7.452 2.599 4.448 1.00 3.24 N ATOM 115 CA LEU A 9 -6.784 1.328 4.706 1.00 4.21 C ATOM 116 C LEU A 9 -7.028 0.865 6.139 1.00 74.15 C ATOM 117 O LEU A 9 -7.367 1.652 7.022 1.00 1.24 O ATOM 118 CB LEU A 9 -5.281 1.458 4.450 1.00 51.32 C ATOM 119 CG LEU A 9 -4.654 2.807 4.804 1.00 51.21 C ATOM 120 CD1 LEU A 9 -4.675 3.027 6.309 1.00 61.15 C ATOM 121 CD2 LEU A 9 -3.231 2.890 4.271 1.00 53.45 C ATOM 0 H LEU A 9 -7.021 3.402 4.907 1.00 3.24 H new ATOM 0 HA LEU A 9 -7.200 0.583 4.027 1.00 4.21 H new ATOM 0 HB2 LEU A 9 -4.768 0.681 5.017 1.00 51.32 H new ATOM 0 HB3 LEU A 9 -5.094 1.259 3.395 1.00 51.32 H new ATOM 0 HG LEU A 9 -5.243 3.594 4.334 1.00 51.21 H new ATOM 0 HD11 LEU A 9 -4.225 3.992 6.542 1.00 61.15 H new ATOM 0 HD12 LEU A 9 -5.705 3.012 6.665 1.00 61.15 H new ATOM 0 HD13 LEU A 9 -4.110 2.235 6.800 1.00 61.15 H new ATOM 0 HD21 LEU A 9 -2.800 3.857 4.532 1.00 53.45 H new ATOM 0 HD22 LEU A 9 -2.630 2.094 4.712 1.00 53.45 H new ATOM 0 HD23 LEU A 9 -3.242 2.779 3.187 1.00 53.45 H new ATOM 133 N PRO A 10 -6.852 -0.443 6.376 1.00 63.31 N ATOM 134 CA PRO A 10 -7.045 -1.041 7.701 1.00 52.35 C ATOM 135 C PRO A 10 -5.967 -0.615 8.692 1.00 72.25 C ATOM 136 O PRO A 10 -4.855 -0.246 8.315 1.00 42.21 O ATOM 137 CB PRO A 10 -6.957 -2.544 7.428 1.00 73.42 C ATOM 138 CG PRO A 10 -6.132 -2.658 6.193 1.00 43.21 C ATOM 139 CD PRO A 10 -6.449 -1.440 5.370 1.00 63.04 C ATOM 0 HA PRO A 10 -7.986 -0.731 8.155 1.00 52.35 H new ATOM 0 HB2 PRO A 10 -6.495 -3.071 8.263 1.00 73.42 H new ATOM 0 HB3 PRO A 10 -7.946 -2.979 7.285 1.00 73.42 H new ATOM 0 HG2 PRO A 10 -5.070 -2.700 6.435 1.00 43.21 H new ATOM 0 HG3 PRO A 10 -6.370 -3.571 5.647 1.00 43.21 H new ATOM 0 HD2 PRO A 10 -5.584 -1.106 4.797 1.00 63.04 H new ATOM 0 HD3 PRO A 10 -7.248 -1.635 4.655 1.00 63.04 H new ATOM 147 N PRO A 11 -6.301 -0.668 9.989 1.00 14.44 N ATOM 148 CA PRO A 11 -5.375 -0.292 11.061 1.00 24.03 C ATOM 149 C PRO A 11 -4.231 -1.289 11.215 1.00 71.03 C ATOM 150 O PRO A 11 -3.252 -1.021 11.910 1.00 63.13 O ATOM 151 CB PRO A 11 -6.258 -0.295 12.311 1.00 31.24 C ATOM 152 CG PRO A 11 -7.368 -1.235 11.988 1.00 11.24 C ATOM 153 CD PRO A 11 -7.610 -1.098 10.511 1.00 63.04 C ATOM 0 HA PRO A 11 -4.893 0.666 10.865 1.00 24.03 H new ATOM 0 HB2 PRO A 11 -5.702 -0.626 13.188 1.00 31.24 H new ATOM 0 HB3 PRO A 11 -6.636 0.703 12.531 1.00 31.24 H new ATOM 0 HG2 PRO A 11 -7.099 -2.259 12.246 1.00 11.24 H new ATOM 0 HG3 PRO A 11 -8.266 -0.988 12.555 1.00 11.24 H new ATOM 0 HD2 PRO A 11 -7.930 -2.041 10.067 1.00 63.04 H new ATOM 0 HD3 PRO A 11 -8.388 -0.365 10.298 1.00 63.04 H new ATOM 161 N GLU A 12 -4.363 -2.439 10.561 1.00 61.01 N ATOM 162 CA GLU A 12 -3.340 -3.476 10.626 1.00 5.32 C ATOM 163 C GLU A 12 -2.137 -3.108 9.761 1.00 31.44 C ATOM 164 O GLU A 12 -0.993 -3.393 10.115 1.00 23.04 O ATOM 165 CB GLU A 12 -3.914 -4.820 10.175 1.00 34.11 C ATOM 166 CG GLU A 12 -4.594 -4.767 8.817 1.00 12.43 C ATOM 167 CD GLU A 12 -3.875 -5.596 7.772 1.00 44.05 C ATOM 168 OE1 GLU A 12 -3.522 -6.756 8.072 1.00 15.53 O ATOM 169 OE2 GLU A 12 -3.664 -5.085 6.652 1.00 51.34 O ATOM 0 H GLU A 12 -5.168 -2.676 9.981 1.00 61.01 H new ATOM 0 HA GLU A 12 -3.010 -3.560 11.661 1.00 5.32 H new ATOM 0 HB2 GLU A 12 -3.110 -5.556 10.141 1.00 34.11 H new ATOM 0 HB3 GLU A 12 -4.632 -5.167 10.918 1.00 34.11 H new ATOM 0 HG2 GLU A 12 -5.620 -5.122 8.914 1.00 12.43 H new ATOM 0 HG3 GLU A 12 -4.646 -3.731 8.481 1.00 12.43 H new ATOM 176 N LYS A 13 -2.405 -2.475 8.625 1.00 41.43 N ATOM 177 CA LYS A 13 -1.347 -2.067 7.708 1.00 50.31 C ATOM 178 C LYS A 13 -1.068 -0.572 7.829 1.00 14.02 C ATOM 179 O LYS A 13 -0.058 -0.077 7.331 1.00 24.23 O ATOM 180 CB LYS A 13 -1.732 -2.409 6.267 1.00 34.21 C ATOM 181 CG LYS A 13 -2.771 -1.472 5.676 1.00 41.50 C ATOM 182 CD LYS A 13 -2.124 -0.373 4.849 1.00 0.25 C ATOM 183 CE LYS A 13 -1.473 -0.930 3.593 1.00 70.40 C ATOM 184 NZ LYS A 13 -1.989 -0.270 2.362 1.00 65.54 N ATOM 0 H LYS A 13 -3.347 -2.233 8.316 1.00 41.43 H new ATOM 0 HA LYS A 13 -0.441 -2.611 7.975 1.00 50.31 H new ATOM 0 HB2 LYS A 13 -0.837 -2.384 5.645 1.00 34.21 H new ATOM 0 HB3 LYS A 13 -2.115 -3.429 6.234 1.00 34.21 H new ATOM 0 HG2 LYS A 13 -3.461 -2.040 5.052 1.00 41.50 H new ATOM 0 HG3 LYS A 13 -3.359 -1.027 6.478 1.00 41.50 H new ATOM 0 HD2 LYS A 13 -2.876 0.366 4.573 1.00 0.25 H new ATOM 0 HD3 LYS A 13 -1.375 0.143 5.450 1.00 0.25 H new ATOM 0 HE2 LYS A 13 -0.393 -0.794 3.653 1.00 70.40 H new ATOM 0 HE3 LYS A 13 -1.656 -2.003 3.534 1.00 70.40 H new ATOM 0 HZ1 LYS A 13 -2.209 -0.992 1.647 1.00 65.54 H new ATOM 0 HZ2 LYS A 13 -2.851 0.265 2.590 1.00 65.54 H new ATOM 0 HZ3 LYS A 13 -1.268 0.379 1.988 1.00 65.54 H new ATOM 198 N ALA A 14 -1.971 0.141 8.495 1.00 5.41 N ATOM 199 CA ALA A 14 -1.819 1.579 8.685 1.00 74.33 C ATOM 200 C ALA A 14 -0.608 1.893 9.555 1.00 2.25 C ATOM 201 O ALA A 14 -0.063 2.996 9.504 1.00 13.31 O ATOM 202 CB ALA A 14 -3.081 2.165 9.301 1.00 40.45 C ATOM 0 H ALA A 14 -2.815 -0.253 8.912 1.00 5.41 H new ATOM 0 HA ALA A 14 -1.659 2.035 7.708 1.00 74.33 H new ATOM 0 HB1 ALA A 14 -2.954 3.239 9.438 1.00 40.45 H new ATOM 0 HB2 ALA A 14 -3.928 1.981 8.640 1.00 40.45 H new ATOM 0 HB3 ALA A 14 -3.266 1.696 10.267 1.00 40.45 H new ATOM 208 N PHE A 15 -0.191 0.917 10.355 1.00 5.54 N ATOM 209 CA PHE A 15 0.956 1.091 11.239 1.00 3.22 C ATOM 210 C PHE A 15 2.038 0.058 10.936 1.00 13.24 C ATOM 211 O PHE A 15 1.756 -1.134 10.814 1.00 65.11 O ATOM 212 CB PHE A 15 0.522 0.977 12.702 1.00 53.42 C ATOM 213 CG PHE A 15 -0.762 1.696 13.003 1.00 13.13 C ATOM 214 CD1 PHE A 15 -0.860 3.068 12.833 1.00 75.41 C ATOM 215 CD2 PHE A 15 -1.871 1.000 13.458 1.00 41.13 C ATOM 216 CE1 PHE A 15 -2.041 3.732 13.109 1.00 23.01 C ATOM 217 CE2 PHE A 15 -3.054 1.659 13.735 1.00 23.01 C ATOM 218 CZ PHE A 15 -3.138 3.027 13.562 1.00 74.32 C ATOM 0 H PHE A 15 -0.630 -0.002 10.409 1.00 5.54 H new ATOM 0 HA PHE A 15 1.368 2.085 11.066 1.00 3.22 H new ATOM 0 HB2 PHE A 15 0.408 -0.076 12.958 1.00 53.42 H new ATOM 0 HB3 PHE A 15 1.311 1.376 13.339 1.00 53.42 H new ATOM 0 HD1 PHE A 15 -0.004 3.625 12.481 1.00 75.41 H new ATOM 0 HD2 PHE A 15 -1.810 -0.069 13.598 1.00 41.13 H new ATOM 0 HE1 PHE A 15 -2.105 4.801 12.970 1.00 23.01 H new ATOM 0 HE2 PHE A 15 -3.912 1.105 14.086 1.00 23.01 H new ATOM 0 HZ PHE A 15 -4.061 3.544 13.781 1.00 74.32 H new ATOM 228 N VAL A 16 3.277 0.525 10.816 1.00 34.10 N ATOM 229 CA VAL A 16 4.401 -0.357 10.528 1.00 22.10 C ATOM 230 C VAL A 16 5.390 -0.384 11.688 1.00 12.13 C ATOM 231 O VAL A 16 6.402 0.316 11.690 1.00 3.51 O ATOM 232 CB VAL A 16 5.141 0.076 9.248 1.00 35.20 C ATOM 233 CG1 VAL A 16 6.178 -0.964 8.853 1.00 72.13 C ATOM 234 CG2 VAL A 16 4.152 0.312 8.116 1.00 31.22 C ATOM 0 H VAL A 16 3.527 1.509 10.914 1.00 34.10 H new ATOM 0 HA VAL A 16 3.990 -1.356 10.381 1.00 22.10 H new ATOM 0 HB VAL A 16 5.660 1.013 9.448 1.00 35.20 H new ATOM 0 HG11 VAL A 16 6.690 -0.641 7.947 1.00 72.13 H new ATOM 0 HG12 VAL A 16 6.903 -1.079 9.659 1.00 72.13 H new ATOM 0 HG13 VAL A 16 5.685 -1.919 8.670 1.00 72.13 H new ATOM 0 HG21 VAL A 16 4.691 0.617 7.219 1.00 31.22 H new ATOM 0 HG22 VAL A 16 3.604 -0.608 7.914 1.00 31.22 H new ATOM 0 HG23 VAL A 16 3.451 1.096 8.403 1.00 31.22 H new ATOM 244 N PRO A 17 5.092 -1.212 12.701 1.00 54.14 N ATOM 245 CA PRO A 17 5.942 -1.351 13.886 1.00 24.12 C ATOM 246 C PRO A 17 7.262 -2.049 13.574 1.00 34.43 C ATOM 247 O PRO A 17 7.298 -3.014 12.812 1.00 72.43 O ATOM 248 CB PRO A 17 5.095 -2.206 14.832 1.00 24.11 C ATOM 249 CG PRO A 17 4.187 -2.975 13.936 1.00 30.34 C ATOM 250 CD PRO A 17 3.901 -2.076 12.765 1.00 23.34 C ATOM 0 HA PRO A 17 6.224 -0.383 14.301 1.00 24.12 H new ATOM 0 HB2 PRO A 17 5.718 -2.871 15.430 1.00 24.11 H new ATOM 0 HB3 PRO A 17 4.531 -1.586 15.529 1.00 24.11 H new ATOM 0 HG2 PRO A 17 4.655 -3.904 13.610 1.00 30.34 H new ATOM 0 HG3 PRO A 17 3.267 -3.247 14.453 1.00 30.34 H new ATOM 0 HD2 PRO A 17 3.767 -2.645 11.845 1.00 23.34 H new ATOM 0 HD3 PRO A 17 2.991 -1.496 12.917 1.00 23.34 H new ATOM 258 N GLU A 18 8.343 -1.555 14.169 1.00 32.24 N ATOM 259 CA GLU A 18 9.664 -2.133 13.954 1.00 41.14 C ATOM 260 C GLU A 18 10.494 -2.086 15.233 1.00 2.41 C ATOM 261 O GLU A 18 10.569 -1.053 15.900 1.00 5.22 O ATOM 262 CB GLU A 18 10.393 -1.390 12.832 1.00 40.10 C ATOM 263 CG GLU A 18 11.736 -2.001 12.470 1.00 61.25 C ATOM 264 CD GLU A 18 12.010 -1.966 10.978 1.00 33.15 C ATOM 265 OE1 GLU A 18 11.793 -0.903 10.360 1.00 64.21 O ATOM 266 OE2 GLU A 18 12.441 -3.002 10.431 1.00 74.45 O ATOM 0 H GLU A 18 8.330 -0.756 14.803 1.00 32.24 H new ATOM 0 HA GLU A 18 9.533 -3.176 13.665 1.00 41.14 H new ATOM 0 HB2 GLU A 18 9.759 -1.376 11.945 1.00 40.10 H new ATOM 0 HB3 GLU A 18 10.544 -0.353 13.133 1.00 40.10 H new ATOM 0 HG2 GLU A 18 12.528 -1.465 12.994 1.00 61.25 H new ATOM 0 HG3 GLU A 18 11.767 -3.034 12.817 1.00 61.25 H new ATOM 273 N LEU A 19 11.115 -3.210 15.570 1.00 23.51 N ATOM 274 CA LEU A 19 11.940 -3.299 16.770 1.00 21.11 C ATOM 275 C LEU A 19 13.423 -3.275 16.415 1.00 42.35 C ATOM 276 O LEU A 19 13.827 -3.763 15.360 1.00 72.24 O ATOM 277 CB LEU A 19 11.611 -4.576 17.546 1.00 50.21 C ATOM 278 CG LEU A 19 11.151 -4.383 18.991 1.00 31.04 C ATOM 279 CD1 LEU A 19 12.310 -3.929 19.864 1.00 4.05 C ATOM 280 CD2 LEU A 19 10.007 -3.382 19.058 1.00 52.11 C ATOM 0 H LEU A 19 11.063 -4.073 15.029 1.00 23.51 H new ATOM 0 HA LEU A 19 11.721 -2.434 17.396 1.00 21.11 H new ATOM 0 HB2 LEU A 19 10.832 -5.115 17.007 1.00 50.21 H new ATOM 0 HB3 LEU A 19 12.495 -5.213 17.549 1.00 50.21 H new ATOM 0 HG LEU A 19 10.792 -5.341 19.368 1.00 31.04 H new ATOM 0 HD11 LEU A 19 11.963 -3.797 20.889 1.00 4.05 H new ATOM 0 HD12 LEU A 19 13.099 -4.681 19.842 1.00 4.05 H new ATOM 0 HD13 LEU A 19 12.700 -2.983 19.488 1.00 4.05 H new ATOM 0 HD21 LEU A 19 9.693 -3.257 20.094 1.00 52.11 H new ATOM 0 HD22 LEU A 19 10.339 -2.423 18.662 1.00 52.11 H new ATOM 0 HD23 LEU A 19 9.168 -3.748 18.466 1.00 52.11 H new ATOM 292 N ALA A 20 14.230 -2.704 17.303 1.00 22.43 N ATOM 293 CA ALA A 20 15.669 -2.620 17.085 1.00 31.32 C ATOM 294 C ALA A 20 16.429 -2.688 18.405 1.00 1.55 C ATOM 295 O ALA A 20 16.460 -1.720 19.166 1.00 41.34 O ATOM 296 CB ALA A 20 16.016 -1.340 16.339 1.00 73.51 C ATOM 0 H ALA A 20 13.912 -2.293 18.180 1.00 22.43 H new ATOM 0 HA ALA A 20 15.970 -3.474 16.478 1.00 31.32 H new ATOM 0 HB1 ALA A 20 17.094 -1.290 16.183 1.00 73.51 H new ATOM 0 HB2 ALA A 20 15.509 -1.332 15.374 1.00 73.51 H new ATOM 0 HB3 ALA A 20 15.694 -0.479 16.925 1.00 73.51 H new ATOM 302 N VAL A 21 17.041 -3.837 18.673 1.00 40.12 N ATOM 303 CA VAL A 21 17.802 -4.030 19.901 1.00 32.25 C ATOM 304 C VAL A 21 19.201 -3.437 19.781 1.00 51.23 C ATOM 305 O VAL A 21 19.865 -3.590 18.756 1.00 54.32 O ATOM 306 CB VAL A 21 17.919 -5.524 20.260 1.00 13.52 C ATOM 307 CG1 VAL A 21 18.859 -5.718 21.440 1.00 44.54 C ATOM 308 CG2 VAL A 21 16.547 -6.108 20.560 1.00 14.13 C ATOM 0 H VAL A 21 17.024 -4.649 18.055 1.00 40.12 H new ATOM 0 HA VAL A 21 17.259 -3.514 20.693 1.00 32.25 H new ATOM 0 HB VAL A 21 18.336 -6.054 19.404 1.00 13.52 H new ATOM 0 HG11 VAL A 21 18.929 -6.779 21.679 1.00 44.54 H new ATOM 0 HG12 VAL A 21 19.848 -5.338 21.184 1.00 44.54 H new ATOM 0 HG13 VAL A 21 18.475 -5.176 22.304 1.00 44.54 H new ATOM 0 HG21 VAL A 21 16.648 -7.164 20.812 1.00 14.13 H new ATOM 0 HG22 VAL A 21 16.101 -5.576 21.400 1.00 14.13 H new ATOM 0 HG23 VAL A 21 15.908 -6.004 19.684 1.00 14.13 H new ATOM 318 N ALA A 22 19.643 -2.759 20.835 1.00 63.21 N ATOM 319 CA ALA A 22 20.965 -2.145 20.848 1.00 10.33 C ATOM 320 C ALA A 22 21.786 -2.634 22.036 1.00 30.34 C ATOM 321 O ALA A 22 21.336 -3.483 22.806 1.00 23.42 O ATOM 322 CB ALA A 22 20.842 -0.628 20.878 1.00 33.54 C ATOM 0 H ALA A 22 19.105 -2.621 21.691 1.00 63.21 H new ATOM 0 HA ALA A 22 21.484 -2.439 19.936 1.00 10.33 H new ATOM 0 HB1 ALA A 22 21.837 -0.182 20.887 1.00 33.54 H new ATOM 0 HB2 ALA A 22 20.301 -0.289 19.994 1.00 33.54 H new ATOM 0 HB3 ALA A 22 20.300 -0.325 21.774 1.00 33.54 H new ATOM 328 N ASP A 23 22.991 -2.094 22.179 1.00 23.42 N ATOM 329 CA ASP A 23 23.875 -2.476 23.274 1.00 23.33 C ATOM 330 C ASP A 23 23.649 -1.585 24.492 1.00 72.05 C ATOM 331 O ASP A 23 24.026 -1.937 25.609 1.00 1.55 O ATOM 332 CB ASP A 23 25.337 -2.393 22.831 1.00 72.51 C ATOM 333 CG ASP A 23 26.222 -3.381 23.566 1.00 75.45 C ATOM 334 OD1 ASP A 23 26.127 -4.593 23.276 1.00 40.34 O ATOM 335 OD2 ASP A 23 27.009 -2.943 24.430 1.00 61.33 O ATOM 0 H ASP A 23 23.378 -1.390 21.550 1.00 23.42 H new ATOM 0 HA ASP A 23 23.645 -3.505 23.551 1.00 23.33 H new ATOM 0 HB2 ASP A 23 25.400 -2.581 21.759 1.00 72.51 H new ATOM 0 HB3 ASP A 23 25.708 -1.382 23.000 1.00 72.51 H new ATOM 340 N ASP A 24 23.032 -0.430 24.266 1.00 31.42 N ATOM 341 CA ASP A 24 22.755 0.512 25.344 1.00 20.23 C ATOM 342 C ASP A 24 21.253 0.668 25.557 1.00 35.54 C ATOM 343 O ASP A 24 20.802 1.611 26.206 1.00 33.41 O ATOM 344 CB ASP A 24 23.383 1.872 25.035 1.00 34.15 C ATOM 345 CG ASP A 24 22.909 2.441 23.712 1.00 22.04 C ATOM 346 OD1 ASP A 24 23.516 2.110 22.672 1.00 22.54 O ATOM 347 OD2 ASP A 24 21.931 3.217 23.717 1.00 41.11 O ATOM 0 H ASP A 24 22.714 -0.124 23.346 1.00 31.42 H new ATOM 0 HA ASP A 24 23.194 0.117 26.260 1.00 20.23 H new ATOM 0 HB2 ASP A 24 23.141 2.571 25.836 1.00 34.15 H new ATOM 0 HB3 ASP A 24 24.468 1.772 25.016 1.00 34.15 H new ATOM 352 N GLY A 25 20.482 -0.265 25.005 1.00 14.42 N ATOM 353 CA GLY A 25 19.038 -0.212 25.145 1.00 1.11 C ATOM 354 C GLY A 25 18.317 -0.718 23.911 1.00 22.25 C ATOM 355 O GLY A 25 18.943 -1.233 22.985 1.00 44.00 O ATOM 0 H GLY A 25 20.831 -1.056 24.464 1.00 14.42 H new ATOM 0 HA2 GLY A 25 18.738 -0.807 26.007 1.00 1.11 H new ATOM 0 HA3 GLY A 25 18.733 0.815 25.345 1.00 1.11 H new ATOM 359 N VAL A 26 16.996 -0.574 23.899 1.00 11.30 N ATOM 360 CA VAL A 26 16.189 -1.021 22.770 1.00 14.32 C ATOM 361 C VAL A 26 15.416 0.140 22.153 1.00 32.25 C ATOM 362 O VAL A 26 14.839 0.962 22.864 1.00 21.10 O ATOM 363 CB VAL A 26 15.194 -2.119 23.191 1.00 2.04 C ATOM 364 CG1 VAL A 26 14.500 -2.707 21.972 1.00 24.43 C ATOM 365 CG2 VAL A 26 15.905 -3.204 23.986 1.00 32.12 C ATOM 0 H VAL A 26 16.462 -0.151 24.658 1.00 11.30 H new ATOM 0 HA VAL A 26 16.878 -1.429 22.031 1.00 14.32 H new ATOM 0 HB VAL A 26 14.433 -1.671 23.830 1.00 2.04 H new ATOM 0 HG11 VAL A 26 13.801 -3.481 22.289 1.00 24.43 H new ATOM 0 HG12 VAL A 26 13.957 -1.921 21.448 1.00 24.43 H new ATOM 0 HG13 VAL A 26 15.244 -3.142 21.304 1.00 24.43 H new ATOM 0 HG21 VAL A 26 15.188 -3.972 24.276 1.00 32.12 H new ATOM 0 HG22 VAL A 26 16.687 -3.651 23.373 1.00 32.12 H new ATOM 0 HG23 VAL A 26 16.350 -2.767 24.880 1.00 32.12 H new ATOM 375 N ASN A 27 15.409 0.200 20.826 1.00 73.42 N ATOM 376 CA ASN A 27 14.706 1.260 20.112 1.00 5.22 C ATOM 377 C ASN A 27 13.597 0.685 19.237 1.00 61.20 C ATOM 378 O ASN A 27 13.811 -0.275 18.496 1.00 34.24 O ATOM 379 CB ASN A 27 15.687 2.060 19.252 1.00 13.42 C ATOM 380 CG ASN A 27 16.312 3.215 20.011 1.00 53.43 C ATOM 381 OD1 ASN A 27 16.945 3.021 21.048 1.00 20.24 O ATOM 382 ND2 ASN A 27 16.136 4.426 19.495 1.00 54.23 N ATOM 0 H ASN A 27 15.882 -0.473 20.223 1.00 73.42 H new ATOM 0 HA ASN A 27 14.254 1.923 20.850 1.00 5.22 H new ATOM 0 HB2 ASN A 27 16.474 1.397 18.891 1.00 13.42 H new ATOM 0 HB3 ASN A 27 15.167 2.444 18.375 1.00 13.42 H new ATOM 0 HD21 ASN A 27 16.533 5.242 19.961 1.00 54.23 H new ATOM 0 HD22 ASN A 27 15.604 4.540 18.632 1.00 54.23 H new ATOM 389 N VAL A 28 12.411 1.279 19.327 1.00 5.01 N ATOM 390 CA VAL A 28 11.268 0.827 18.543 1.00 44.44 C ATOM 391 C VAL A 28 10.665 1.975 17.740 1.00 32.33 C ATOM 392 O VAL A 28 10.399 3.050 18.278 1.00 22.45 O ATOM 393 CB VAL A 28 10.178 0.214 19.441 1.00 10.42 C ATOM 394 CG1 VAL A 28 9.632 1.257 20.405 1.00 74.21 C ATOM 395 CG2 VAL A 28 9.062 -0.378 18.595 1.00 74.13 C ATOM 0 H VAL A 28 12.217 2.074 19.935 1.00 5.01 H new ATOM 0 HA VAL A 28 11.635 0.062 17.859 1.00 44.44 H new ATOM 0 HB VAL A 28 10.624 -0.590 20.027 1.00 10.42 H new ATOM 0 HG11 VAL A 28 8.863 0.806 21.032 1.00 74.21 H new ATOM 0 HG12 VAL A 28 10.440 1.629 21.034 1.00 74.21 H new ATOM 0 HG13 VAL A 28 9.201 2.084 19.841 1.00 74.21 H new ATOM 0 HG21 VAL A 28 8.300 -0.807 19.246 1.00 74.13 H new ATOM 0 HG22 VAL A 28 8.616 0.405 17.982 1.00 74.13 H new ATOM 0 HG23 VAL A 28 9.468 -1.157 17.950 1.00 74.13 H new ATOM 405 N ARG A 29 10.450 1.738 16.450 1.00 1.52 N ATOM 406 CA ARG A 29 9.878 2.752 15.573 1.00 51.52 C ATOM 407 C ARG A 29 8.683 2.195 14.805 1.00 14.41 C ATOM 408 O ARG A 29 8.752 1.109 14.231 1.00 61.52 O ATOM 409 CB ARG A 29 10.934 3.264 14.592 1.00 65.54 C ATOM 410 CG ARG A 29 10.548 4.562 13.903 1.00 43.15 C ATOM 411 CD ARG A 29 9.799 4.303 12.605 1.00 31.30 C ATOM 412 NE ARG A 29 9.710 5.501 11.775 1.00 1.33 N ATOM 413 CZ ARG A 29 10.728 5.987 11.074 1.00 65.30 C ATOM 414 NH1 ARG A 29 11.906 5.379 11.102 1.00 64.22 N ATOM 415 NH2 ARG A 29 10.569 7.082 10.342 1.00 4.34 N ATOM 0 H ARG A 29 10.663 0.853 15.990 1.00 1.52 H new ATOM 0 HA ARG A 29 9.536 3.581 16.193 1.00 51.52 H new ATOM 0 HB2 ARG A 29 11.873 3.412 15.126 1.00 65.54 H new ATOM 0 HB3 ARG A 29 11.115 2.501 13.835 1.00 65.54 H new ATOM 0 HG2 ARG A 29 9.926 5.158 14.570 1.00 43.15 H new ATOM 0 HG3 ARG A 29 11.445 5.146 13.696 1.00 43.15 H new ATOM 0 HD2 ARG A 29 10.302 3.513 12.048 1.00 31.30 H new ATOM 0 HD3 ARG A 29 8.795 3.944 12.831 1.00 31.30 H new ATOM 0 HE ARG A 29 8.817 5.992 11.731 1.00 1.33 H new ATOM 0 HH11 ARG A 29 12.032 4.536 11.663 1.00 64.22 H new ATOM 0 HH12 ARG A 29 12.686 5.754 10.563 1.00 64.22 H new ATOM 0 HH21 ARG A 29 9.664 7.552 10.317 1.00 4.34 H new ATOM 0 HH22 ARG A 29 11.352 7.454 9.804 1.00 4.34 H new ATOM 429 N PHE A 30 7.587 2.947 14.800 1.00 13.01 N ATOM 430 CA PHE A 30 6.375 2.528 14.105 1.00 64.04 C ATOM 431 C PHE A 30 5.888 3.619 13.155 1.00 24.22 C ATOM 432 O PHE A 30 5.617 4.744 13.573 1.00 14.43 O ATOM 433 CB PHE A 30 5.276 2.185 15.112 1.00 22.11 C ATOM 434 CG PHE A 30 5.614 2.572 16.523 1.00 4.23 C ATOM 435 CD1 PHE A 30 6.410 1.754 17.309 1.00 73.52 C ATOM 436 CD2 PHE A 30 5.137 3.755 17.065 1.00 75.24 C ATOM 437 CE1 PHE A 30 6.723 2.107 18.608 1.00 41.12 C ATOM 438 CE2 PHE A 30 5.447 4.114 18.363 1.00 70.24 C ATOM 439 CZ PHE A 30 6.240 3.288 19.136 1.00 42.44 C ATOM 0 H PHE A 30 7.513 3.850 15.269 1.00 13.01 H new ATOM 0 HA PHE A 30 6.611 1.639 13.520 1.00 64.04 H new ATOM 0 HB2 PHE A 30 4.354 2.687 14.817 1.00 22.11 H new ATOM 0 HB3 PHE A 30 5.081 1.113 15.074 1.00 22.11 H new ATOM 0 HD1 PHE A 30 6.790 0.829 16.901 1.00 73.52 H new ATOM 0 HD2 PHE A 30 4.516 4.404 16.466 1.00 75.24 H new ATOM 0 HE1 PHE A 30 7.345 1.460 19.209 1.00 41.12 H new ATOM 0 HE2 PHE A 30 5.070 5.039 18.773 1.00 70.24 H new ATOM 0 HZ PHE A 30 6.482 3.565 20.151 1.00 42.44 H new ATOM 449 N ARG A 31 5.781 3.277 11.876 1.00 64.45 N ATOM 450 CA ARG A 31 5.329 4.226 10.866 1.00 43.31 C ATOM 451 C ARG A 31 3.808 4.217 10.754 1.00 55.41 C ATOM 452 O ARG A 31 3.211 3.218 10.353 1.00 32.42 O ATOM 453 CB ARG A 31 5.953 3.896 9.509 1.00 61.03 C ATOM 454 CG ARG A 31 7.444 3.607 9.578 1.00 52.23 C ATOM 455 CD ARG A 31 8.177 4.174 8.372 1.00 23.12 C ATOM 456 NE ARG A 31 7.835 3.467 7.141 1.00 32.10 N ATOM 457 CZ ARG A 31 8.358 3.760 5.956 1.00 70.44 C ATOM 458 NH1 ARG A 31 9.243 4.740 5.842 1.00 42.11 N ATOM 459 NH2 ARG A 31 7.996 3.071 4.881 1.00 61.41 N ATOM 0 H ARG A 31 6.001 2.349 11.514 1.00 64.45 H new ATOM 0 HA ARG A 31 5.648 5.222 11.172 1.00 43.31 H new ATOM 0 HB2 ARG A 31 5.443 3.031 9.085 1.00 61.03 H new ATOM 0 HB3 ARG A 31 5.784 4.731 8.829 1.00 61.03 H new ATOM 0 HG2 ARG A 31 7.857 4.036 10.491 1.00 52.23 H new ATOM 0 HG3 ARG A 31 7.605 2.530 9.630 1.00 52.23 H new ATOM 0 HD2 ARG A 31 7.932 5.231 8.263 1.00 23.12 H new ATOM 0 HD3 ARG A 31 9.252 4.111 8.539 1.00 23.12 H new ATOM 0 HE ARG A 31 7.157 2.707 7.194 1.00 32.10 H new ATOM 0 HH11 ARG A 31 9.524 5.272 6.666 1.00 42.11 H new ATOM 0 HH12 ARG A 31 9.643 4.963 4.930 1.00 42.11 H new ATOM 0 HH21 ARG A 31 7.316 2.316 4.965 1.00 61.41 H new ATOM 0 HH22 ARG A 31 8.398 3.297 3.971 1.00 61.41 H new ATOM 473 N ILE A 32 3.187 5.337 11.111 1.00 33.50 N ATOM 474 CA ILE A 32 1.735 5.457 11.050 1.00 4.20 C ATOM 475 C ILE A 32 1.294 6.135 9.757 1.00 10.24 C ATOM 476 O ILE A 32 1.978 7.020 9.244 1.00 53.21 O ATOM 477 CB ILE A 32 1.186 6.254 12.248 1.00 51.11 C ATOM 478 CG1 ILE A 32 1.500 5.529 13.558 1.00 21.11 C ATOM 479 CG2 ILE A 32 -0.313 6.466 12.100 1.00 14.21 C ATOM 480 CD1 ILE A 32 2.059 6.436 14.632 1.00 54.21 C ATOM 0 H ILE A 32 3.666 6.173 11.445 1.00 33.50 H new ATOM 0 HA ILE A 32 1.332 4.445 11.082 1.00 4.20 H new ATOM 0 HB ILE A 32 1.671 7.230 12.270 1.00 51.11 H new ATOM 0 HG12 ILE A 32 0.590 5.057 13.930 1.00 21.11 H new ATOM 0 HG13 ILE A 32 2.215 4.731 13.360 1.00 21.11 H new ATOM 0 HG21 ILE A 32 -0.687 7.031 12.954 1.00 14.21 H new ATOM 0 HG22 ILE A 32 -0.513 7.020 11.183 1.00 14.21 H new ATOM 0 HG23 ILE A 32 -0.815 5.499 12.057 1.00 14.21 H new ATOM 0 HD11 ILE A 32 2.258 5.854 15.532 1.00 54.21 H new ATOM 0 HD12 ILE A 32 2.986 6.888 14.280 1.00 54.21 H new ATOM 0 HD13 ILE A 32 1.336 7.220 14.859 1.00 54.21 H new ATOM 492 N ALA A 33 0.146 5.715 9.237 1.00 35.43 N ATOM 493 CA ALA A 33 -0.390 6.284 8.007 1.00 64.43 C ATOM 494 C ALA A 33 -0.745 7.755 8.191 1.00 3.13 C ATOM 495 O ALA A 33 -1.169 8.171 9.270 1.00 63.41 O ATOM 496 CB ALA A 33 -1.609 5.498 7.549 1.00 73.23 C ATOM 0 H ALA A 33 -0.431 4.982 9.649 1.00 35.43 H new ATOM 0 HA ALA A 33 0.381 6.217 7.239 1.00 64.43 H new ATOM 0 HB1 ALA A 33 -1.999 5.934 6.629 1.00 73.23 H new ATOM 0 HB2 ALA A 33 -1.326 4.461 7.367 1.00 73.23 H new ATOM 0 HB3 ALA A 33 -2.377 5.535 8.322 1.00 73.23 H new ATOM 502 N ASP A 34 -0.568 8.539 7.133 1.00 32.41 N ATOM 503 CA ASP A 34 -0.870 9.964 7.179 1.00 55.54 C ATOM 504 C ASP A 34 -2.330 10.199 7.555 1.00 31.21 C ATOM 505 O ASP A 34 -2.700 11.284 8.002 1.00 71.23 O ATOM 506 CB ASP A 34 -0.569 10.615 5.828 1.00 65.13 C ATOM 507 CG ASP A 34 -0.264 12.095 5.953 1.00 72.23 C ATOM 508 OD1 ASP A 34 -1.202 12.873 6.228 1.00 21.41 O ATOM 509 OD2 ASP A 34 0.912 12.475 5.776 1.00 11.21 O ATOM 0 H ASP A 34 -0.217 8.211 6.233 1.00 32.41 H new ATOM 0 HA ASP A 34 -0.239 10.419 7.942 1.00 55.54 H new ATOM 0 HB2 ASP A 34 0.279 10.110 5.366 1.00 65.13 H new ATOM 0 HB3 ASP A 34 -1.422 10.478 5.164 1.00 65.13 H new ATOM 514 N GLY A 35 -3.156 9.173 7.370 1.00 1.13 N ATOM 515 CA GLY A 35 -4.566 9.288 7.694 1.00 2.23 C ATOM 516 C GLY A 35 -4.865 8.900 9.129 1.00 64.13 C ATOM 517 O GLY A 35 -6.021 8.900 9.551 1.00 31.21 O ATOM 0 H GLY A 35 -2.874 8.265 7.002 1.00 1.13 H new ATOM 0 HA2 GLY A 35 -4.892 10.314 7.523 1.00 2.23 H new ATOM 0 HA3 GLY A 35 -5.143 8.653 7.022 1.00 2.23 H new ATOM 521 N TYR A 36 -3.821 8.567 9.879 1.00 24.43 N ATOM 522 CA TYR A 36 -3.977 8.170 11.274 1.00 52.13 C ATOM 523 C TYR A 36 -3.007 8.935 12.170 1.00 75.44 C ATOM 524 O TYR A 36 -2.008 9.478 11.700 1.00 45.20 O ATOM 525 CB TYR A 36 -3.751 6.665 11.426 1.00 35.02 C ATOM 526 CG TYR A 36 -4.896 5.825 10.905 1.00 43.20 C ATOM 527 CD1 TYR A 36 -6.192 6.018 11.367 1.00 23.30 C ATOM 528 CD2 TYR A 36 -4.681 4.840 9.949 1.00 24.54 C ATOM 529 CE1 TYR A 36 -7.240 5.252 10.894 1.00 3.21 C ATOM 530 CE2 TYR A 36 -5.723 4.070 9.470 1.00 41.23 C ATOM 531 CZ TYR A 36 -7.000 4.280 9.945 1.00 35.14 C ATOM 532 OH TYR A 36 -8.042 3.516 9.471 1.00 51.23 O ATOM 0 H TYR A 36 -2.857 8.564 9.545 1.00 24.43 H new ATOM 0 HA TYR A 36 -4.994 8.411 11.582 1.00 52.13 H new ATOM 0 HB2 TYR A 36 -2.839 6.388 10.898 1.00 35.02 H new ATOM 0 HB3 TYR A 36 -3.592 6.434 12.479 1.00 35.02 H new ATOM 0 HD1 TYR A 36 -6.383 6.780 12.108 1.00 23.30 H new ATOM 0 HD2 TYR A 36 -3.682 4.673 9.574 1.00 24.54 H new ATOM 0 HE1 TYR A 36 -8.241 5.413 11.265 1.00 3.21 H new ATOM 0 HE2 TYR A 36 -5.538 3.308 8.728 1.00 41.23 H new ATOM 0 HH TYR A 36 -7.729 2.964 8.724 1.00 51.23 H new ATOM 542 N TYR A 37 -3.311 8.971 13.462 1.00 5.04 N ATOM 543 CA TYR A 37 -2.468 9.670 14.426 1.00 61.25 C ATOM 544 C TYR A 37 -2.646 9.091 15.826 1.00 63.12 C ATOM 545 O TYR A 37 -3.768 8.901 16.293 1.00 73.53 O ATOM 546 CB TYR A 37 -2.797 11.164 14.434 1.00 71.55 C ATOM 547 CG TYR A 37 -4.208 11.470 14.881 1.00 15.10 C ATOM 548 CD1 TYR A 37 -5.251 11.530 13.964 1.00 11.33 C ATOM 549 CD2 TYR A 37 -4.499 11.701 16.220 1.00 74.42 C ATOM 550 CE1 TYR A 37 -6.542 11.811 14.368 1.00 31.33 C ATOM 551 CE2 TYR A 37 -5.788 11.980 16.633 1.00 4.20 C ATOM 552 CZ TYR A 37 -6.805 12.034 15.704 1.00 53.43 C ATOM 553 OH TYR A 37 -8.090 12.314 16.111 1.00 4.11 O ATOM 0 H TYR A 37 -4.134 8.525 13.867 1.00 5.04 H new ATOM 0 HA TYR A 37 -1.429 9.535 14.126 1.00 61.25 H new ATOM 0 HB2 TYR A 37 -2.097 11.678 15.092 1.00 71.55 H new ATOM 0 HB3 TYR A 37 -2.647 11.566 13.432 1.00 71.55 H new ATOM 0 HD1 TYR A 37 -5.049 11.354 12.918 1.00 11.33 H new ATOM 0 HD2 TYR A 37 -3.704 11.662 16.950 1.00 74.42 H new ATOM 0 HE1 TYR A 37 -7.341 11.856 13.642 1.00 31.33 H new ATOM 0 HE2 TYR A 37 -5.997 12.155 17.678 1.00 4.20 H new ATOM 0 HH TYR A 37 -8.105 12.444 17.082 1.00 4.11 H new ATOM 563 N MET A 38 -1.529 8.814 16.491 1.00 62.24 N ATOM 564 CA MET A 38 -1.560 8.258 17.839 1.00 51.34 C ATOM 565 C MET A 38 -1.081 9.284 18.861 1.00 43.24 C ATOM 566 O MET A 38 -0.124 10.019 18.615 1.00 41.13 O ATOM 567 CB MET A 38 -0.692 7.001 17.915 1.00 32.33 C ATOM 568 CG MET A 38 -1.487 5.708 17.835 1.00 35.33 C ATOM 569 SD MET A 38 -1.380 4.925 16.214 1.00 1.34 S ATOM 570 CE MET A 38 -2.094 3.320 16.565 1.00 4.42 C ATOM 0 H MET A 38 -0.592 8.965 16.119 1.00 62.24 H new ATOM 0 HA MET A 38 -2.591 7.993 18.073 1.00 51.34 H new ATOM 0 HB2 MET A 38 0.035 7.022 17.103 1.00 32.33 H new ATOM 0 HB3 MET A 38 -0.128 7.014 18.848 1.00 32.33 H new ATOM 0 HG2 MET A 38 -1.123 5.015 18.594 1.00 35.33 H new ATOM 0 HG3 MET A 38 -2.532 5.914 18.066 1.00 35.33 H new ATOM 0 HE1 MET A 38 -1.452 2.539 16.157 1.00 4.42 H new ATOM 0 HE2 MET A 38 -2.183 3.190 17.643 1.00 4.42 H new ATOM 0 HE3 MET A 38 -3.082 3.253 16.108 1.00 4.42 H new ATOM 580 N TYR A 39 -1.751 9.329 20.006 1.00 31.14 N ATOM 581 CA TYR A 39 -1.395 10.267 21.064 1.00 22.24 C ATOM 582 C TYR A 39 -0.182 9.771 21.846 1.00 43.52 C ATOM 583 O TYR A 39 -0.168 8.646 22.343 1.00 72.33 O ATOM 584 CB TYR A 39 -2.577 10.472 22.013 1.00 73.24 C ATOM 585 CG TYR A 39 -3.896 10.671 21.301 1.00 15.32 C ATOM 586 CD1 TYR A 39 -4.297 11.933 20.880 1.00 54.11 C ATOM 587 CD2 TYR A 39 -4.742 9.597 21.049 1.00 4.43 C ATOM 588 CE1 TYR A 39 -5.502 12.120 20.230 1.00 31.13 C ATOM 589 CE2 TYR A 39 -5.948 9.775 20.399 1.00 25.30 C ATOM 590 CZ TYR A 39 -6.324 11.038 19.992 1.00 65.20 C ATOM 591 OH TYR A 39 -7.524 11.220 19.344 1.00 63.51 O ATOM 0 H TYR A 39 -2.544 8.727 20.226 1.00 31.14 H new ATOM 0 HA TYR A 39 -1.141 11.220 20.599 1.00 22.24 H new ATOM 0 HB2 TYR A 39 -2.656 9.608 22.673 1.00 73.24 H new ATOM 0 HB3 TYR A 39 -2.380 11.339 22.644 1.00 73.24 H new ATOM 0 HD1 TYR A 39 -3.656 12.782 21.064 1.00 54.11 H new ATOM 0 HD2 TYR A 39 -4.451 8.607 21.367 1.00 4.43 H new ATOM 0 HE1 TYR A 39 -5.799 13.108 19.910 1.00 31.13 H new ATOM 0 HE2 TYR A 39 -6.593 8.930 20.211 1.00 25.30 H new ATOM 0 HH TYR A 39 -7.981 10.358 19.255 1.00 63.51 H new ATOM 601 N GLN A 40 0.834 10.622 21.950 1.00 65.22 N ATOM 602 CA GLN A 40 2.053 10.271 22.671 1.00 55.24 C ATOM 603 C GLN A 40 1.727 9.729 24.058 1.00 30.03 C ATOM 604 O GLN A 40 2.370 8.795 24.537 1.00 11.20 O ATOM 605 CB GLN A 40 2.969 11.490 22.788 1.00 3.04 C ATOM 606 CG GLN A 40 4.428 11.133 23.025 1.00 40.50 C ATOM 607 CD GLN A 40 5.356 12.318 22.840 1.00 13.22 C ATOM 608 OE1 GLN A 40 6.069 12.712 23.763 1.00 45.21 O ATOM 609 NE2 GLN A 40 5.351 12.893 21.643 1.00 14.44 N ATOM 0 H GLN A 40 0.838 11.558 21.545 1.00 65.22 H new ATOM 0 HA GLN A 40 2.567 9.492 22.109 1.00 55.24 H new ATOM 0 HB2 GLN A 40 2.892 12.081 21.876 1.00 3.04 H new ATOM 0 HB3 GLN A 40 2.620 12.120 23.606 1.00 3.04 H new ATOM 0 HG2 GLN A 40 4.543 10.741 24.036 1.00 40.50 H new ATOM 0 HG3 GLN A 40 4.720 10.337 22.339 1.00 40.50 H new ATOM 0 HE21 GLN A 40 4.744 12.533 20.907 1.00 14.44 H new ATOM 0 HE22 GLN A 40 5.955 13.695 21.460 1.00 14.44 H new ATOM 618 N ALA A 41 0.725 10.321 24.700 1.00 52.25 N ATOM 619 CA ALA A 41 0.313 9.897 26.032 1.00 60.53 C ATOM 620 C ALA A 41 -0.379 8.539 25.985 1.00 33.44 C ATOM 621 O ALA A 41 -0.273 7.744 26.919 1.00 30.55 O ATOM 622 CB ALA A 41 -0.603 10.937 26.658 1.00 54.33 C ATOM 0 H ALA A 41 0.183 11.096 24.318 1.00 52.25 H new ATOM 0 HA ALA A 41 1.207 9.800 26.648 1.00 60.53 H new ATOM 0 HB1 ALA A 41 -0.903 10.607 27.653 1.00 54.33 H new ATOM 0 HB2 ALA A 41 -0.075 11.888 26.735 1.00 54.33 H new ATOM 0 HB3 ALA A 41 -1.489 11.063 26.036 1.00 54.33 H new ATOM 628 N LYS A 42 -1.090 8.279 24.893 1.00 65.20 N ATOM 629 CA LYS A 42 -1.800 7.017 24.724 1.00 63.43 C ATOM 630 C LYS A 42 -0.833 5.892 24.366 1.00 11.20 C ATOM 631 O LYS A 42 -1.013 4.749 24.787 1.00 55.03 O ATOM 632 CB LYS A 42 -2.868 7.151 23.636 1.00 62.41 C ATOM 633 CG LYS A 42 -4.082 7.954 24.071 1.00 65.51 C ATOM 634 CD LYS A 42 -4.784 7.307 25.253 1.00 24.41 C ATOM 635 CE LYS A 42 -6.212 7.810 25.397 1.00 43.02 C ATOM 636 NZ LYS A 42 -6.349 8.773 26.524 1.00 15.12 N ATOM 0 H LYS A 42 -1.190 8.926 24.111 1.00 65.20 H new ATOM 0 HA LYS A 42 -2.282 6.771 25.670 1.00 63.43 H new ATOM 0 HB2 LYS A 42 -2.425 7.624 22.760 1.00 62.41 H new ATOM 0 HB3 LYS A 42 -3.191 6.156 23.331 1.00 62.41 H new ATOM 0 HG2 LYS A 42 -3.774 8.965 24.338 1.00 65.51 H new ATOM 0 HG3 LYS A 42 -4.778 8.043 23.237 1.00 65.51 H new ATOM 0 HD2 LYS A 42 -4.790 6.224 25.126 1.00 24.41 H new ATOM 0 HD3 LYS A 42 -4.229 7.518 26.167 1.00 24.41 H new ATOM 0 HE2 LYS A 42 -6.523 8.290 24.469 1.00 43.02 H new ATOM 0 HE3 LYS A 42 -6.881 6.964 25.558 1.00 43.02 H new ATOM 0 HZ1 LYS A 42 -7.336 9.093 26.589 1.00 15.12 H new ATOM 0 HZ2 LYS A 42 -6.076 8.308 27.413 1.00 15.12 H new ATOM 0 HZ3 LYS A 42 -5.730 9.592 26.358 1.00 15.12 H new ATOM 650 N ILE A 43 0.192 6.224 23.589 1.00 5.43 N ATOM 651 CA ILE A 43 1.188 5.243 23.178 1.00 23.43 C ATOM 652 C ILE A 43 1.995 4.744 24.373 1.00 53.32 C ATOM 653 O ILE A 43 2.312 5.509 25.284 1.00 44.03 O ATOM 654 CB ILE A 43 2.153 5.825 22.129 1.00 43.03 C ATOM 655 CG1 ILE A 43 1.379 6.282 20.890 1.00 24.33 C ATOM 656 CG2 ILE A 43 3.209 4.796 21.751 1.00 54.30 C ATOM 657 CD1 ILE A 43 1.977 7.498 20.219 1.00 64.14 C ATOM 0 H ILE A 43 0.354 7.165 23.231 1.00 5.43 H new ATOM 0 HA ILE A 43 0.644 4.408 22.736 1.00 23.43 H new ATOM 0 HB ILE A 43 2.656 6.691 22.560 1.00 43.03 H new ATOM 0 HG12 ILE A 43 1.342 5.463 20.172 1.00 24.33 H new ATOM 0 HG13 ILE A 43 0.350 6.503 21.175 1.00 24.33 H new ATOM 0 HG21 ILE A 43 3.883 5.223 21.009 1.00 54.30 H new ATOM 0 HG22 ILE A 43 3.777 4.515 22.638 1.00 54.30 H new ATOM 0 HG23 ILE A 43 2.724 3.913 21.335 1.00 54.30 H new ATOM 0 HD11 ILE A 43 1.377 7.765 19.349 1.00 64.14 H new ATOM 0 HD12 ILE A 43 1.990 8.332 20.921 1.00 64.14 H new ATOM 0 HD13 ILE A 43 2.996 7.275 19.903 1.00 64.14 H new ATOM 669 N VAL A 44 2.325 3.457 24.361 1.00 33.34 N ATOM 670 CA VAL A 44 3.097 2.856 25.442 1.00 21.21 C ATOM 671 C VAL A 44 4.158 1.907 24.897 1.00 23.53 C ATOM 672 O VAL A 44 3.981 1.301 23.841 1.00 22.12 O ATOM 673 CB VAL A 44 2.190 2.087 26.420 1.00 34.34 C ATOM 674 CG1 VAL A 44 2.550 0.609 26.434 1.00 71.01 C ATOM 675 CG2 VAL A 44 2.288 2.681 27.817 1.00 24.34 C ATOM 0 H VAL A 44 2.070 2.810 23.615 1.00 33.34 H new ATOM 0 HA VAL A 44 3.583 3.673 25.976 1.00 21.21 H new ATOM 0 HB VAL A 44 1.158 2.182 26.081 1.00 34.34 H new ATOM 0 HG11 VAL A 44 1.898 0.082 27.131 1.00 71.01 H new ATOM 0 HG12 VAL A 44 2.423 0.194 25.434 1.00 71.01 H new ATOM 0 HG13 VAL A 44 3.587 0.490 26.747 1.00 71.01 H new ATOM 0 HG21 VAL A 44 1.640 2.125 28.495 1.00 24.34 H new ATOM 0 HG22 VAL A 44 3.318 2.619 28.167 1.00 24.34 H new ATOM 0 HG23 VAL A 44 1.976 3.725 27.791 1.00 24.34 H new ATOM 685 N GLY A 45 5.263 1.781 25.627 1.00 41.15 N ATOM 686 CA GLY A 45 6.337 0.903 25.201 1.00 44.24 C ATOM 687 C GLY A 45 7.391 0.713 26.274 1.00 51.33 C ATOM 688 O GLY A 45 8.115 1.648 26.616 1.00 11.35 O ATOM 0 H GLY A 45 5.433 2.271 26.505 1.00 41.15 H new ATOM 0 HA2 GLY A 45 5.922 -0.067 24.928 1.00 44.24 H new ATOM 0 HA3 GLY A 45 6.804 1.313 24.306 1.00 44.24 H new ATOM 692 N LYS A 46 7.477 -0.500 26.808 1.00 60.32 N ATOM 693 CA LYS A 46 8.449 -0.811 27.849 1.00 21.31 C ATOM 694 C LYS A 46 9.061 -2.191 27.628 1.00 73.11 C ATOM 695 O LYS A 46 8.351 -3.160 27.354 1.00 4.11 O ATOM 696 CB LYS A 46 7.788 -0.750 29.228 1.00 73.03 C ATOM 697 CG LYS A 46 8.709 -1.160 30.363 1.00 22.33 C ATOM 698 CD LYS A 46 8.167 -2.365 31.113 1.00 23.55 C ATOM 699 CE LYS A 46 8.035 -3.576 30.202 1.00 20.02 C ATOM 700 NZ LYS A 46 7.531 -4.770 30.936 1.00 54.14 N ATOM 0 H LYS A 46 6.885 -1.285 26.537 1.00 60.32 H new ATOM 0 HA LYS A 46 9.245 -0.068 27.801 1.00 21.31 H new ATOM 0 HB2 LYS A 46 7.434 0.265 29.407 1.00 73.03 H new ATOM 0 HB3 LYS A 46 6.912 -1.398 29.230 1.00 73.03 H new ATOM 0 HG2 LYS A 46 9.697 -1.392 29.965 1.00 22.33 H new ATOM 0 HG3 LYS A 46 8.831 -0.325 31.053 1.00 22.33 H new ATOM 0 HD2 LYS A 46 8.829 -2.605 31.945 1.00 23.55 H new ATOM 0 HD3 LYS A 46 7.194 -2.122 31.540 1.00 23.55 H new ATOM 0 HE2 LYS A 46 7.357 -3.341 29.382 1.00 20.02 H new ATOM 0 HE3 LYS A 46 9.004 -3.805 29.759 1.00 20.02 H new ATOM 0 HZ1 LYS A 46 8.116 -5.596 30.698 1.00 54.14 H new ATOM 0 HZ2 LYS A 46 7.580 -4.594 31.960 1.00 54.14 H new ATOM 0 HZ3 LYS A 46 6.544 -4.954 30.663 1.00 54.14 H new ATOM 714 N THR A 47 10.382 -2.274 27.750 1.00 60.44 N ATOM 715 CA THR A 47 11.089 -3.535 27.563 1.00 33.34 C ATOM 716 C THR A 47 12.091 -3.775 28.686 1.00 3.35 C ATOM 717 O THR A 47 12.900 -2.904 29.006 1.00 54.15 O ATOM 718 CB THR A 47 11.829 -3.570 26.213 1.00 24.03 C ATOM 719 OG1 THR A 47 12.465 -4.841 26.036 1.00 4.30 O ATOM 720 CG2 THR A 47 12.869 -2.462 26.138 1.00 50.03 C ATOM 0 H THR A 47 10.984 -1.483 27.978 1.00 60.44 H new ATOM 0 HA THR A 47 10.337 -4.324 27.576 1.00 33.34 H new ATOM 0 HB THR A 47 11.099 -3.416 25.419 1.00 24.03 H new ATOM 0 HG1 THR A 47 13.351 -4.824 26.454 1.00 4.30 H new ATOM 0 HG21 THR A 47 13.379 -2.506 25.176 1.00 50.03 H new ATOM 0 HG22 THR A 47 12.378 -1.495 26.244 1.00 50.03 H new ATOM 0 HG23 THR A 47 13.596 -2.590 26.940 1.00 50.03 H new ATOM 728 N ASN A 48 12.033 -4.961 29.282 1.00 24.42 N ATOM 729 CA ASN A 48 12.937 -5.315 30.371 1.00 64.25 C ATOM 730 C ASN A 48 12.617 -6.705 30.914 1.00 45.44 C ATOM 731 O ASN A 48 11.523 -7.235 30.724 1.00 32.33 O ATOM 732 CB ASN A 48 12.844 -4.282 31.495 1.00 2.11 C ATOM 733 CG ASN A 48 11.430 -3.773 31.697 1.00 32.42 C ATOM 734 OD1 ASN A 48 11.160 -2.581 31.549 1.00 32.51 O ATOM 735 ND2 ASN A 48 10.519 -4.678 32.038 1.00 41.12 N ATOM 0 H ASN A 48 11.370 -5.694 29.030 1.00 24.42 H new ATOM 0 HA ASN A 48 13.954 -5.323 29.978 1.00 64.25 H new ATOM 0 HB2 ASN A 48 13.203 -4.726 32.423 1.00 2.11 H new ATOM 0 HB3 ASN A 48 13.501 -3.442 31.268 1.00 2.11 H new ATOM 0 HD21 ASN A 48 9.551 -4.395 32.188 1.00 41.12 H new ATOM 0 HD22 ASN A 48 10.788 -5.656 32.150 1.00 41.12 H new ATOM 742 N PRO A 49 13.595 -7.309 31.606 1.00 54.32 N ATOM 743 CA PRO A 49 13.441 -8.644 32.192 1.00 51.34 C ATOM 744 C PRO A 49 12.469 -8.653 33.367 1.00 50.44 C ATOM 745 O PRO A 49 11.675 -9.580 33.520 1.00 30.14 O ATOM 746 CB PRO A 49 14.855 -8.988 32.665 1.00 62.41 C ATOM 747 CG PRO A 49 15.511 -7.670 32.892 1.00 54.00 C ATOM 748 CD PRO A 49 14.925 -6.735 31.870 1.00 13.14 C ATOM 0 HA PRO A 49 13.030 -9.358 31.478 1.00 51.34 H new ATOM 0 HB2 PRO A 49 14.833 -9.582 33.579 1.00 62.41 H new ATOM 0 HB3 PRO A 49 15.391 -9.573 31.918 1.00 62.41 H new ATOM 0 HG2 PRO A 49 15.324 -7.310 33.904 1.00 54.00 H new ATOM 0 HG3 PRO A 49 16.592 -7.747 32.776 1.00 54.00 H new ATOM 0 HD2 PRO A 49 14.855 -5.716 32.251 1.00 13.14 H new ATOM 0 HD3 PRO A 49 15.533 -6.696 30.966 1.00 13.14 H new ATOM 756 N ALA A 50 12.537 -7.614 34.193 1.00 41.01 N ATOM 757 CA ALA A 50 11.661 -7.502 35.353 1.00 42.45 C ATOM 758 C ALA A 50 11.572 -6.058 35.835 1.00 54.21 C ATOM 759 O ALA A 50 11.821 -5.768 37.005 1.00 3.40 O ATOM 760 CB ALA A 50 12.152 -8.405 36.474 1.00 33.30 C ATOM 0 H ALA A 50 13.189 -6.838 34.080 1.00 41.01 H new ATOM 0 HA ALA A 50 10.662 -7.821 35.056 1.00 42.45 H new ATOM 0 HB1 ALA A 50 11.489 -8.311 37.334 1.00 33.30 H new ATOM 0 HB2 ALA A 50 12.158 -9.440 36.131 1.00 33.30 H new ATOM 0 HB3 ALA A 50 13.162 -8.112 36.761 1.00 33.30 H new ATOM 766 N ASP A 51 11.215 -5.157 34.927 1.00 54.45 N ATOM 767 CA ASP A 51 11.092 -3.742 35.260 1.00 73.22 C ATOM 768 C ASP A 51 12.447 -3.154 35.641 1.00 33.10 C ATOM 769 O ASP A 51 12.541 -2.315 36.538 1.00 22.32 O ATOM 770 CB ASP A 51 10.098 -3.551 36.407 1.00 51.04 C ATOM 771 CG ASP A 51 9.193 -2.354 36.195 1.00 54.45 C ATOM 772 OD1 ASP A 51 8.371 -2.391 35.255 1.00 15.25 O ATOM 773 OD2 ASP A 51 9.307 -1.379 36.967 1.00 12.21 O ATOM 0 H ASP A 51 11.006 -5.381 33.954 1.00 54.45 H new ATOM 0 HA ASP A 51 10.723 -3.217 34.379 1.00 73.22 H new ATOM 0 HB2 ASP A 51 9.489 -4.449 36.510 1.00 51.04 H new ATOM 0 HB3 ASP A 51 10.645 -3.428 37.342 1.00 51.04 H new ATOM 778 N LEU A 52 13.493 -3.600 34.955 1.00 3.21 N ATOM 779 CA LEU A 52 14.844 -3.118 35.222 1.00 23.51 C ATOM 780 C LEU A 52 15.153 -1.876 34.393 1.00 4.34 C ATOM 781 O LEU A 52 15.869 -0.979 34.842 1.00 32.13 O ATOM 782 CB LEU A 52 15.867 -4.215 34.919 1.00 72.03 C ATOM 783 CG LEU A 52 16.041 -5.286 35.996 1.00 65.44 C ATOM 784 CD1 LEU A 52 16.632 -4.682 37.260 1.00 45.55 C ATOM 785 CD2 LEU A 52 14.711 -5.962 36.297 1.00 44.33 C ATOM 0 H LEU A 52 13.432 -4.294 34.210 1.00 3.21 H new ATOM 0 HA LEU A 52 14.907 -2.852 36.277 1.00 23.51 H new ATOM 0 HB2 LEU A 52 15.579 -4.706 33.990 1.00 72.03 H new ATOM 0 HB3 LEU A 52 16.834 -3.744 34.744 1.00 72.03 H new ATOM 0 HG LEU A 52 16.733 -6.041 35.621 1.00 65.44 H new ATOM 0 HD11 LEU A 52 16.748 -5.460 38.015 1.00 45.55 H new ATOM 0 HD12 LEU A 52 17.606 -4.247 37.034 1.00 45.55 H new ATOM 0 HD13 LEU A 52 15.966 -3.906 37.638 1.00 45.55 H new ATOM 0 HD21 LEU A 52 14.855 -6.721 37.066 1.00 44.33 H new ATOM 0 HD22 LEU A 52 13.997 -5.218 36.650 1.00 44.33 H new ATOM 0 HD23 LEU A 52 14.328 -6.431 35.391 1.00 44.33 H new ATOM 797 N LEU A 53 14.608 -1.828 33.183 1.00 44.31 N ATOM 798 CA LEU A 53 14.824 -0.693 32.291 1.00 33.33 C ATOM 799 C LEU A 53 14.455 0.617 32.979 1.00 50.31 C ATOM 800 O LEU A 53 13.545 0.662 33.806 1.00 24.21 O ATOM 801 CB LEU A 53 14.001 -0.861 31.013 1.00 52.12 C ATOM 802 CG LEU A 53 14.123 0.263 29.984 1.00 41.43 C ATOM 803 CD1 LEU A 53 15.045 -0.151 28.847 1.00 10.14 C ATOM 804 CD2 LEU A 53 12.752 0.647 29.447 1.00 34.04 C ATOM 0 H LEU A 53 14.013 -2.561 32.796 1.00 44.31 H new ATOM 0 HA LEU A 53 15.882 -0.661 32.033 1.00 33.33 H new ATOM 0 HB2 LEU A 53 14.294 -1.796 30.536 1.00 52.12 H new ATOM 0 HB3 LEU A 53 12.952 -0.960 31.291 1.00 52.12 H new ATOM 0 HG LEU A 53 14.555 1.134 30.477 1.00 41.43 H new ATOM 0 HD11 LEU A 53 15.119 0.662 28.125 1.00 10.14 H new ATOM 0 HD12 LEU A 53 16.035 -0.375 29.244 1.00 10.14 H new ATOM 0 HD13 LEU A 53 14.642 -1.037 28.356 1.00 10.14 H new ATOM 0 HD21 LEU A 53 12.859 1.448 28.716 1.00 34.04 H new ATOM 0 HD22 LEU A 53 12.292 -0.219 28.971 1.00 34.04 H new ATOM 0 HD23 LEU A 53 12.122 0.987 30.269 1.00 34.04 H new ATOM 816 N GLY A 54 15.167 1.684 32.629 1.00 51.43 N ATOM 817 CA GLY A 54 14.898 2.982 33.220 1.00 42.21 C ATOM 818 C GLY A 54 13.537 3.525 32.833 1.00 72.12 C ATOM 819 O GLY A 54 12.520 3.130 33.402 1.00 31.23 O ATOM 0 H GLY A 54 15.925 1.673 31.947 1.00 51.43 H new ATOM 0 HA2 GLY A 54 14.959 2.903 34.305 1.00 42.21 H new ATOM 0 HA3 GLY A 54 15.669 3.687 32.908 1.00 42.21 H new ATOM 823 N GLN A 55 13.518 4.434 31.863 1.00 33.13 N ATOM 824 CA GLN A 55 12.271 5.033 31.403 1.00 14.12 C ATOM 825 C GLN A 55 12.264 5.179 29.885 1.00 5.21 C ATOM 826 O GLN A 55 13.310 5.224 29.237 1.00 24.01 O ATOM 827 CB GLN A 55 12.064 6.399 32.060 1.00 50.24 C ATOM 828 CG GLN A 55 13.325 7.247 32.110 1.00 53.14 C ATOM 829 CD GLN A 55 13.030 8.720 32.318 1.00 72.44 C ATOM 830 OE1 GLN A 55 12.830 9.466 31.359 1.00 71.01 O ATOM 831 NE2 GLN A 55 13.001 9.146 33.575 1.00 70.01 N ATOM 0 H GLN A 55 14.351 4.771 31.381 1.00 33.13 H new ATOM 0 HA GLN A 55 11.453 4.372 31.689 1.00 14.12 H new ATOM 0 HB2 GLN A 55 11.292 6.942 31.515 1.00 50.24 H new ATOM 0 HB3 GLN A 55 11.694 6.253 33.075 1.00 50.24 H new ATOM 0 HG2 GLN A 55 13.966 6.891 32.917 1.00 53.14 H new ATOM 0 HG3 GLN A 55 13.881 7.119 31.181 1.00 53.14 H new ATOM 0 HE21 GLN A 55 13.173 8.492 34.339 1.00 70.01 H new ATOM 0 HE22 GLN A 55 12.807 10.127 33.777 1.00 70.01 H new ATOM 840 N PRO A 56 11.059 5.255 29.302 1.00 32.13 N ATOM 841 CA PRO A 56 10.887 5.397 27.853 1.00 4.24 C ATOM 842 C PRO A 56 11.326 6.768 27.350 1.00 54.23 C ATOM 843 O PRO A 56 11.309 7.748 28.095 1.00 40.04 O ATOM 844 CB PRO A 56 9.381 5.211 27.654 1.00 22.33 C ATOM 845 CG PRO A 56 8.775 5.604 28.957 1.00 3.42 C ATOM 846 CD PRO A 56 9.770 5.208 30.013 1.00 51.00 C ATOM 0 HA PRO A 56 11.495 4.682 27.298 1.00 4.24 H new ATOM 0 HB2 PRO A 56 9.009 5.834 26.841 1.00 22.33 H new ATOM 0 HB3 PRO A 56 9.140 4.179 27.401 1.00 22.33 H new ATOM 0 HG2 PRO A 56 8.578 6.676 28.988 1.00 3.42 H new ATOM 0 HG3 PRO A 56 7.821 5.100 29.111 1.00 3.42 H new ATOM 0 HD2 PRO A 56 9.753 5.895 30.859 1.00 51.00 H new ATOM 0 HD3 PRO A 56 9.564 4.212 30.406 1.00 51.00 H new ATOM 854 N SER A 57 11.717 6.830 26.081 1.00 52.21 N ATOM 855 CA SER A 57 12.163 8.081 25.479 1.00 53.13 C ATOM 856 C SER A 57 11.474 8.314 24.138 1.00 53.43 C ATOM 857 O SER A 57 11.947 7.859 23.096 1.00 35.11 O ATOM 858 CB SER A 57 13.681 8.068 25.290 1.00 72.15 C ATOM 859 OG SER A 57 14.062 8.849 24.170 1.00 60.40 O ATOM 0 H SER A 57 11.734 6.029 25.450 1.00 52.21 H new ATOM 0 HA SER A 57 11.895 8.895 26.152 1.00 53.13 H new ATOM 0 HB2 SER A 57 14.166 8.453 26.187 1.00 72.15 H new ATOM 0 HB3 SER A 57 14.025 7.042 25.156 1.00 72.15 H new ATOM 0 HG SER A 57 13.665 8.471 23.358 1.00 60.40 H new ATOM 865 N PHE A 58 10.353 9.027 24.172 1.00 52.53 N ATOM 866 CA PHE A 58 9.597 9.321 22.960 1.00 54.41 C ATOM 867 C PHE A 58 10.404 10.209 22.017 1.00 14.11 C ATOM 868 O PHE A 58 11.162 11.072 22.458 1.00 44.54 O ATOM 869 CB PHE A 58 8.273 10.003 23.312 1.00 32.02 C ATOM 870 CG PHE A 58 7.520 9.317 24.416 1.00 23.41 C ATOM 871 CD1 PHE A 58 7.534 7.936 24.527 1.00 34.41 C ATOM 872 CD2 PHE A 58 6.799 10.052 25.342 1.00 10.54 C ATOM 873 CE1 PHE A 58 6.843 7.301 25.542 1.00 75.31 C ATOM 874 CE2 PHE A 58 6.106 9.423 26.360 1.00 44.35 C ATOM 875 CZ PHE A 58 6.127 8.046 26.459 1.00 61.33 C ATOM 0 H PHE A 58 9.948 9.412 25.025 1.00 52.53 H new ATOM 0 HA PHE A 58 9.389 8.378 22.454 1.00 54.41 H new ATOM 0 HB2 PHE A 58 8.471 11.034 23.604 1.00 32.02 H new ATOM 0 HB3 PHE A 58 7.644 10.039 22.422 1.00 32.02 H new ATOM 0 HD1 PHE A 58 8.091 7.349 23.812 1.00 34.41 H new ATOM 0 HD2 PHE A 58 6.778 11.129 25.268 1.00 10.54 H new ATOM 0 HE1 PHE A 58 6.863 6.224 25.618 1.00 75.31 H new ATOM 0 HE2 PHE A 58 5.549 10.008 27.077 1.00 44.35 H new ATOM 0 HZ PHE A 58 5.585 7.552 27.252 1.00 61.33 H new ATOM 885 N SER A 59 10.234 9.989 20.717 1.00 2.42 N ATOM 886 CA SER A 59 10.949 10.766 19.711 1.00 24.21 C ATOM 887 C SER A 59 10.373 12.174 19.601 1.00 40.11 C ATOM 888 O SER A 59 10.906 13.022 18.885 1.00 4.11 O ATOM 889 CB SER A 59 10.880 10.066 18.352 1.00 1.33 C ATOM 890 OG SER A 59 11.962 9.167 18.186 1.00 64.11 O ATOM 0 H SER A 59 9.608 9.280 20.336 1.00 2.42 H new ATOM 0 HA SER A 59 11.992 10.843 20.020 1.00 24.21 H new ATOM 0 HB2 SER A 59 9.937 9.525 18.265 1.00 1.33 H new ATOM 0 HB3 SER A 59 10.895 10.810 17.555 1.00 1.33 H new ATOM 0 HG SER A 59 11.791 8.351 18.700 1.00 64.11 H new ATOM 896 N LYS A 60 9.279 12.417 20.315 1.00 22.53 N ATOM 897 CA LYS A 60 8.629 13.721 20.301 1.00 52.34 C ATOM 898 C LYS A 60 8.034 14.017 18.928 1.00 51.44 C ATOM 899 O LYS A 60 8.736 13.991 17.918 1.00 74.04 O ATOM 900 CB LYS A 60 9.627 14.816 20.682 1.00 5.33 C ATOM 901 CG LYS A 60 9.011 15.949 21.485 1.00 21.44 C ATOM 902 CD LYS A 60 8.876 15.581 22.954 1.00 55.43 C ATOM 903 CE LYS A 60 7.553 16.065 23.529 1.00 5.34 C ATOM 904 NZ LYS A 60 7.514 17.548 23.657 1.00 13.41 N ATOM 0 H LYS A 60 8.824 11.726 20.911 1.00 22.53 H new ATOM 0 HA LYS A 60 7.821 13.704 21.033 1.00 52.34 H new ATOM 0 HB2 LYS A 60 10.438 14.372 21.259 1.00 5.33 H new ATOM 0 HB3 LYS A 60 10.069 15.225 19.773 1.00 5.33 H new ATOM 0 HG2 LYS A 60 9.628 16.843 21.388 1.00 21.44 H new ATOM 0 HG3 LYS A 60 8.030 16.193 21.078 1.00 21.44 H new ATOM 0 HD2 LYS A 60 8.950 14.499 23.068 1.00 55.43 H new ATOM 0 HD3 LYS A 60 9.701 16.018 23.517 1.00 55.43 H new ATOM 0 HE2 LYS A 60 6.736 15.734 22.888 1.00 5.34 H new ATOM 0 HE3 LYS A 60 7.395 15.612 24.507 1.00 5.34 H new ATOM 0 HZ1 LYS A 60 6.597 17.838 24.052 1.00 13.41 H new ATOM 0 HZ2 LYS A 60 8.278 17.862 24.289 1.00 13.41 H new ATOM 0 HZ3 LYS A 60 7.640 17.981 22.720 1.00 13.41 H new ATOM 918 N GLY A 61 6.735 14.301 18.899 1.00 70.42 N ATOM 919 CA GLY A 61 6.069 14.599 17.645 1.00 75.14 C ATOM 920 C GLY A 61 5.618 16.044 17.557 1.00 70.52 C ATOM 921 O GLY A 61 6.442 16.957 17.547 1.00 10.32 O ATOM 0 H GLY A 61 6.133 14.330 19.722 1.00 70.42 H new ATOM 0 HA2 GLY A 61 6.745 14.381 16.818 1.00 75.14 H new ATOM 0 HA3 GLY A 61 5.205 13.944 17.532 1.00 75.14 H new ATOM 925 N GLU A 62 4.306 16.250 17.491 1.00 63.13 N ATOM 926 CA GLU A 62 3.749 17.594 17.400 1.00 12.24 C ATOM 927 C GLU A 62 2.578 17.764 18.364 1.00 32.50 C ATOM 928 O GLU A 62 1.786 16.843 18.562 1.00 60.42 O ATOM 929 CB GLU A 62 3.292 17.886 15.969 1.00 22.14 C ATOM 930 CG GLU A 62 4.205 18.844 15.223 1.00 53.42 C ATOM 931 CD GLU A 62 3.746 20.286 15.325 1.00 35.01 C ATOM 932 OE1 GLU A 62 3.147 20.647 16.360 1.00 73.52 O ATOM 933 OE2 GLU A 62 3.986 21.054 14.370 1.00 72.43 O ATOM 0 H GLU A 62 3.610 15.504 17.499 1.00 63.13 H new ATOM 0 HA GLU A 62 4.530 18.302 17.675 1.00 12.24 H new ATOM 0 HB2 GLU A 62 3.234 16.948 15.417 1.00 22.14 H new ATOM 0 HB3 GLU A 62 2.285 18.303 15.996 1.00 22.14 H new ATOM 0 HG2 GLU A 62 5.217 18.760 15.620 1.00 53.42 H new ATOM 0 HG3 GLU A 62 4.250 18.554 14.173 1.00 53.42 H new ATOM 940 N GLU A 63 2.476 18.947 18.961 1.00 43.13 N ATOM 941 CA GLU A 63 1.403 19.236 19.905 1.00 42.43 C ATOM 942 C GLU A 63 0.108 19.572 19.170 1.00 22.44 C ATOM 943 O GLU A 63 0.107 20.341 18.209 1.00 60.40 O ATOM 944 CB GLU A 63 1.798 20.397 20.820 1.00 4.12 C ATOM 945 CG GLU A 63 2.057 21.697 20.078 1.00 53.34 C ATOM 946 CD GLU A 63 3.046 22.594 20.797 1.00 33.42 C ATOM 947 OE1 GLU A 63 3.278 22.373 22.004 1.00 12.21 O ATOM 948 OE2 GLU A 63 3.588 23.516 20.152 1.00 33.34 O ATOM 0 H GLU A 63 3.123 19.721 18.808 1.00 43.13 H new ATOM 0 HA GLU A 63 1.237 18.345 20.511 1.00 42.43 H new ATOM 0 HB2 GLU A 63 1.006 20.558 21.551 1.00 4.12 H new ATOM 0 HB3 GLU A 63 2.694 20.121 21.376 1.00 4.12 H new ATOM 0 HG2 GLU A 63 2.435 21.472 19.081 1.00 53.34 H new ATOM 0 HG3 GLU A 63 1.115 22.231 19.949 1.00 53.34 H new ATOM 955 N LYS A 64 -0.994 18.988 19.630 1.00 4.32 N ATOM 956 CA LYS A 64 -2.296 19.224 19.019 1.00 34.14 C ATOM 957 C LYS A 64 -3.388 19.308 20.081 1.00 31.34 C ATOM 958 O LYS A 64 -3.319 18.635 21.109 1.00 21.22 O ATOM 959 CB LYS A 64 -2.624 18.110 18.023 1.00 73.23 C ATOM 960 CG LYS A 64 -3.868 18.381 17.195 1.00 52.35 C ATOM 961 CD LYS A 64 -5.095 17.718 17.797 1.00 31.42 C ATOM 962 CE LYS A 64 -5.382 16.376 17.141 1.00 70.21 C ATOM 963 NZ LYS A 64 -5.912 16.537 15.758 1.00 23.55 N ATOM 0 H LYS A 64 -1.011 18.348 20.424 1.00 4.32 H new ATOM 0 HA LYS A 64 -2.254 20.176 18.490 1.00 34.14 H new ATOM 0 HB2 LYS A 64 -1.775 17.971 17.353 1.00 73.23 H new ATOM 0 HB3 LYS A 64 -2.757 17.175 18.567 1.00 73.23 H new ATOM 0 HG2 LYS A 64 -4.032 19.456 17.125 1.00 52.35 H new ATOM 0 HG3 LYS A 64 -3.717 18.015 16.180 1.00 52.35 H new ATOM 0 HD2 LYS A 64 -4.945 17.576 18.867 1.00 31.42 H new ATOM 0 HD3 LYS A 64 -5.958 18.373 17.680 1.00 31.42 H new ATOM 0 HE2 LYS A 64 -4.468 15.783 17.113 1.00 70.21 H new ATOM 0 HE3 LYS A 64 -6.103 15.824 17.744 1.00 70.21 H new ATOM 0 HZ1 LYS A 64 -6.360 15.649 15.452 1.00 23.55 H new ATOM 0 HZ2 LYS A 64 -6.615 17.303 15.743 1.00 23.55 H new ATOM 0 HZ3 LYS A 64 -5.131 16.771 15.112 1.00 23.55 H new ATOM 977 N GLU A 65 -4.395 20.137 19.825 1.00 61.14 N ATOM 978 CA GLU A 65 -5.501 20.307 20.759 1.00 30.15 C ATOM 979 C GLU A 65 -6.805 19.788 20.160 1.00 41.22 C ATOM 980 O GLU A 65 -7.144 20.103 19.019 1.00 72.21 O ATOM 981 CB GLU A 65 -5.653 21.781 21.141 1.00 33.23 C ATOM 982 CG GLU A 65 -4.333 22.472 21.440 1.00 74.24 C ATOM 983 CD GLU A 65 -4.489 23.639 22.395 1.00 42.22 C ATOM 984 OE1 GLU A 65 -5.343 23.553 23.302 1.00 54.24 O ATOM 985 OE2 GLU A 65 -3.757 24.638 22.236 1.00 41.22 O ATOM 0 H GLU A 65 -4.467 20.701 18.978 1.00 61.14 H new ATOM 0 HA GLU A 65 -5.278 19.728 21.655 1.00 30.15 H new ATOM 0 HB2 GLU A 65 -6.154 22.308 20.329 1.00 33.23 H new ATOM 0 HB3 GLU A 65 -6.299 21.856 22.016 1.00 33.23 H new ATOM 0 HG2 GLU A 65 -3.637 21.749 21.866 1.00 74.24 H new ATOM 0 HG3 GLU A 65 -3.893 22.826 20.508 1.00 74.24 H new ATOM 992 N ASP A 66 -7.531 18.992 20.937 1.00 64.34 N ATOM 993 CA ASP A 66 -8.797 18.429 20.484 1.00 74.04 C ATOM 994 C ASP A 66 -9.688 18.071 21.669 1.00 22.33 C ATOM 995 O ASP A 66 -9.412 18.459 22.804 1.00 52.52 O ATOM 996 CB ASP A 66 -8.550 17.189 19.622 1.00 14.34 C ATOM 997 CG ASP A 66 -9.465 17.132 18.415 1.00 73.41 C ATOM 998 OD1 ASP A 66 -10.643 17.529 18.543 1.00 64.25 O ATOM 999 OD2 ASP A 66 -9.004 16.690 17.342 1.00 2.01 O ATOM 0 H ASP A 66 -7.264 18.722 21.884 1.00 64.34 H new ATOM 0 HA ASP A 66 -9.307 19.183 19.884 1.00 74.04 H new ATOM 0 HB2 ASP A 66 -7.512 17.183 19.288 1.00 14.34 H new ATOM 0 HB3 ASP A 66 -8.696 16.294 20.227 1.00 14.34 H new ATOM 1004 N GLU A 67 -10.756 17.328 21.397 1.00 15.25 N ATOM 1005 CA GLU A 67 -11.688 16.920 22.442 1.00 21.34 C ATOM 1006 C GLU A 67 -11.569 15.425 22.723 1.00 21.53 C ATOM 1007 O GLU A 67 -12.160 14.911 23.674 1.00 43.13 O ATOM 1008 CB GLU A 67 -13.124 17.261 22.039 1.00 43.34 C ATOM 1009 CG GLU A 67 -13.523 16.707 20.681 1.00 24.44 C ATOM 1010 CD GLU A 67 -14.920 17.125 20.268 1.00 51.52 C ATOM 1011 OE1 GLU A 67 -15.888 16.692 20.928 1.00 51.44 O ATOM 1012 OE2 GLU A 67 -15.046 17.885 19.285 1.00 1.41 O ATOM 0 H GLU A 67 -10.997 16.997 20.463 1.00 15.25 H new ATOM 0 HA GLU A 67 -11.435 17.465 23.351 1.00 21.34 H new ATOM 0 HB2 GLU A 67 -13.807 16.873 22.795 1.00 43.34 H new ATOM 0 HB3 GLU A 67 -13.242 18.345 22.029 1.00 43.34 H new ATOM 0 HG2 GLU A 67 -12.809 17.047 19.930 1.00 24.44 H new ATOM 0 HG3 GLU A 67 -13.466 15.619 20.706 1.00 24.44 H new ATOM 1019 N PHE A 68 -10.801 14.731 21.889 1.00 13.11 N ATOM 1020 CA PHE A 68 -10.605 13.295 22.046 1.00 73.43 C ATOM 1021 C PHE A 68 -9.496 13.004 23.052 1.00 32.54 C ATOM 1022 O PHE A 68 -9.182 11.846 23.330 1.00 74.21 O ATOM 1023 CB PHE A 68 -10.267 12.655 20.698 1.00 62.43 C ATOM 1024 CG PHE A 68 -11.460 12.475 19.803 1.00 44.32 C ATOM 1025 CD1 PHE A 68 -12.226 13.565 19.421 1.00 21.21 C ATOM 1026 CD2 PHE A 68 -11.814 11.217 19.343 1.00 54.42 C ATOM 1027 CE1 PHE A 68 -13.324 13.402 18.598 1.00 14.34 C ATOM 1028 CE2 PHE A 68 -12.912 11.049 18.519 1.00 22.25 C ATOM 1029 CZ PHE A 68 -13.667 12.143 18.146 1.00 51.10 C ATOM 0 H PHE A 68 -10.304 15.140 21.098 1.00 13.11 H new ATOM 0 HA PHE A 68 -11.534 12.866 22.422 1.00 73.43 H new ATOM 0 HB2 PHE A 68 -9.529 13.273 20.186 1.00 62.43 H new ATOM 0 HB3 PHE A 68 -9.804 11.684 20.872 1.00 62.43 H new ATOM 0 HD1 PHE A 68 -11.962 14.552 19.770 1.00 21.21 H new ATOM 0 HD2 PHE A 68 -11.226 10.358 19.631 1.00 54.42 H new ATOM 0 HE1 PHE A 68 -13.914 14.259 18.308 1.00 14.34 H new ATOM 0 HE2 PHE A 68 -13.178 10.063 18.168 1.00 22.25 H new ATOM 0 HZ PHE A 68 -14.524 12.014 17.502 1.00 51.10 H new ATOM 1039 N PHE A 69 -8.906 14.063 23.596 1.00 62.21 N ATOM 1040 CA PHE A 69 -7.830 13.922 24.571 1.00 55.32 C ATOM 1041 C PHE A 69 -7.422 15.282 25.129 1.00 4.23 C ATOM 1042 O PHE A 69 -7.028 15.396 26.289 1.00 12.43 O ATOM 1043 CB PHE A 69 -6.621 13.236 23.932 1.00 31.14 C ATOM 1044 CG PHE A 69 -5.867 14.116 22.977 1.00 12.43 C ATOM 1045 CD1 PHE A 69 -6.497 14.655 21.867 1.00 3.50 C ATOM 1046 CD2 PHE A 69 -4.529 14.405 23.190 1.00 64.44 C ATOM 1047 CE1 PHE A 69 -5.806 15.466 20.986 1.00 1.43 C ATOM 1048 CE2 PHE A 69 -3.833 15.215 22.313 1.00 42.23 C ATOM 1049 CZ PHE A 69 -4.472 15.746 21.209 1.00 21.30 C ATOM 0 H PHE A 69 -9.154 15.028 23.379 1.00 62.21 H new ATOM 0 HA PHE A 69 -8.195 13.306 25.393 1.00 55.32 H new ATOM 0 HB2 PHE A 69 -5.944 12.904 24.719 1.00 31.14 H new ATOM 0 HB3 PHE A 69 -6.957 12.344 23.403 1.00 31.14 H new ATOM 0 HD1 PHE A 69 -7.540 14.439 21.688 1.00 3.50 H new ATOM 0 HD2 PHE A 69 -4.024 13.993 24.051 1.00 64.44 H new ATOM 0 HE1 PHE A 69 -6.309 15.880 20.124 1.00 1.43 H new ATOM 0 HE2 PHE A 69 -2.790 15.433 22.490 1.00 42.23 H new ATOM 0 HZ PHE A 69 -3.930 16.379 20.522 1.00 21.30 H new ATOM 1059 N GLY A 70 -7.517 16.312 24.293 1.00 34.23 N ATOM 1060 CA GLY A 70 -7.154 17.650 24.720 1.00 3.33 C ATOM 1061 C GLY A 70 -5.911 18.164 24.021 1.00 41.20 C ATOM 1062 O GLY A 70 -5.701 17.897 22.838 1.00 52.34 O ATOM 0 H GLY A 70 -7.839 16.243 23.328 1.00 34.23 H new ATOM 0 HA2 GLY A 70 -7.984 18.328 24.524 1.00 3.33 H new ATOM 0 HA3 GLY A 70 -6.988 17.652 25.797 1.00 3.33 H new ATOM 1066 N ARG A 71 -5.085 18.905 24.753 1.00 33.22 N ATOM 1067 CA ARG A 71 -3.858 19.460 24.195 1.00 72.11 C ATOM 1068 C ARG A 71 -2.646 18.636 24.620 1.00 12.35 C ATOM 1069 O ARG A 71 -2.158 18.768 25.743 1.00 73.34 O ATOM 1070 CB ARG A 71 -3.682 20.913 24.639 1.00 12.13 C ATOM 1071 CG ARG A 71 -4.436 21.256 25.914 1.00 23.31 C ATOM 1072 CD ARG A 71 -3.832 20.557 27.123 1.00 53.24 C ATOM 1073 NE ARG A 71 -4.348 21.094 28.379 1.00 2.11 N ATOM 1074 CZ ARG A 71 -5.514 20.738 28.907 1.00 3.40 C ATOM 1075 NH1 ARG A 71 -6.281 19.850 28.291 1.00 63.33 N ATOM 1076 NH2 ARG A 71 -5.914 21.272 30.054 1.00 32.52 N ATOM 0 H ARG A 71 -5.244 19.135 25.734 1.00 33.22 H new ATOM 0 HA ARG A 71 -3.935 19.427 23.108 1.00 72.11 H new ATOM 0 HB2 ARG A 71 -2.621 21.112 24.790 1.00 12.13 H new ATOM 0 HB3 ARG A 71 -4.019 21.572 23.839 1.00 12.13 H new ATOM 0 HG2 ARG A 71 -4.419 22.335 26.069 1.00 23.31 H new ATOM 0 HG3 ARG A 71 -5.481 20.966 25.809 1.00 23.31 H new ATOM 0 HD2 ARG A 71 -4.047 19.490 27.070 1.00 53.24 H new ATOM 0 HD3 ARG A 71 -2.748 20.666 27.100 1.00 53.24 H new ATOM 0 HE ARG A 71 -3.782 21.780 28.878 1.00 2.11 H new ATOM 0 HH11 ARG A 71 -5.977 19.438 27.409 1.00 63.33 H new ATOM 0 HH12 ARG A 71 -7.176 19.579 28.699 1.00 63.33 H new ATOM 0 HH21 ARG A 71 -5.326 21.956 30.531 1.00 32.52 H new ATOM 0 HH22 ARG A 71 -6.809 20.999 30.459 1.00 32.52 H new ATOM 1090 N GLN A 72 -2.167 17.788 23.717 1.00 61.13 N ATOM 1091 CA GLN A 72 -1.013 16.942 24.000 1.00 50.54 C ATOM 1092 C GLN A 72 -0.242 16.628 22.722 1.00 74.33 C ATOM 1093 O GLN A 72 -0.706 16.914 21.617 1.00 1.22 O ATOM 1094 CB GLN A 72 -1.459 15.644 24.673 1.00 22.44 C ATOM 1095 CG GLN A 72 -0.515 15.171 25.768 1.00 72.15 C ATOM 1096 CD GLN A 72 -1.026 15.492 27.158 1.00 13.31 C ATOM 1097 OE1 GLN A 72 -1.604 16.555 27.389 1.00 34.43 O ATOM 1098 NE2 GLN A 72 -0.816 14.574 28.094 1.00 64.34 N ATOM 0 H GLN A 72 -2.559 17.668 22.783 1.00 61.13 H new ATOM 0 HA GLN A 72 -0.353 17.485 24.676 1.00 50.54 H new ATOM 0 HB2 GLN A 72 -2.452 15.788 25.098 1.00 22.44 H new ATOM 0 HB3 GLN A 72 -1.545 14.864 23.917 1.00 22.44 H new ATOM 0 HG2 GLN A 72 -0.371 14.094 25.678 1.00 72.15 H new ATOM 0 HG3 GLN A 72 0.461 15.636 25.627 1.00 72.15 H new ATOM 0 HE21 GLN A 72 -0.333 13.707 27.859 1.00 64.34 H new ATOM 0 HE22 GLN A 72 -1.138 14.736 29.048 1.00 64.34 H new ATOM 1107 N THR A 73 0.938 16.036 22.879 1.00 51.25 N ATOM 1108 CA THR A 73 1.774 15.684 21.738 1.00 71.11 C ATOM 1109 C THR A 73 1.311 14.380 21.099 1.00 74.13 C ATOM 1110 O THR A 73 0.931 13.437 21.793 1.00 25.31 O ATOM 1111 CB THR A 73 3.253 15.545 22.147 1.00 55.23 C ATOM 1112 OG1 THR A 73 3.511 16.322 23.321 1.00 1.23 O ATOM 1113 CG2 THR A 73 4.170 15.998 21.021 1.00 71.12 C ATOM 0 H THR A 73 1.336 15.790 23.785 1.00 51.25 H new ATOM 0 HA THR A 73 1.679 16.494 21.015 1.00 71.11 H new ATOM 0 HB THR A 73 3.453 14.494 22.356 1.00 55.23 H new ATOM 0 HG1 THR A 73 4.453 16.227 23.576 1.00 1.23 H new ATOM 0 HG21 THR A 73 5.209 15.891 21.333 1.00 71.12 H new ATOM 0 HG22 THR A 73 3.991 15.385 20.137 1.00 71.12 H new ATOM 0 HG23 THR A 73 3.968 17.043 20.785 1.00 71.12 H new ATOM 1121 N VAL A 74 1.344 14.332 19.771 1.00 42.43 N ATOM 1122 CA VAL A 74 0.929 13.142 19.037 1.00 3.54 C ATOM 1123 C VAL A 74 1.814 12.913 17.817 1.00 34.30 C ATOM 1124 O VAL A 74 2.698 13.715 17.518 1.00 1.53 O ATOM 1125 CB VAL A 74 -0.538 13.247 18.582 1.00 53.32 C ATOM 1126 CG1 VAL A 74 -1.434 13.633 19.749 1.00 3.23 C ATOM 1127 CG2 VAL A 74 -0.672 14.247 17.443 1.00 11.33 C ATOM 0 H VAL A 74 1.654 15.104 19.181 1.00 42.43 H new ATOM 0 HA VAL A 74 1.030 12.298 19.719 1.00 3.54 H new ATOM 0 HB VAL A 74 -0.858 12.271 18.218 1.00 53.32 H new ATOM 0 HG11 VAL A 74 -2.467 13.702 19.407 1.00 3.23 H new ATOM 0 HG12 VAL A 74 -1.360 12.876 20.530 1.00 3.23 H new ATOM 0 HG13 VAL A 74 -1.118 14.597 20.147 1.00 3.23 H new ATOM 0 HG21 VAL A 74 -1.715 14.309 17.134 1.00 11.33 H new ATOM 0 HG22 VAL A 74 -0.334 15.228 17.778 1.00 11.33 H new ATOM 0 HG23 VAL A 74 -0.062 13.922 16.600 1.00 11.33 H new ATOM 1137 N TYR A 75 1.569 11.812 17.115 1.00 53.22 N ATOM 1138 CA TYR A 75 2.344 11.475 15.927 1.00 2.00 C ATOM 1139 C TYR A 75 1.448 11.396 14.695 1.00 14.41 C ATOM 1140 O TYR A 75 0.363 10.814 14.738 1.00 2.40 O ATOM 1141 CB TYR A 75 3.072 10.144 16.128 1.00 54.51 C ATOM 1142 CG TYR A 75 4.104 10.179 17.232 1.00 14.24 C ATOM 1143 CD1 TYR A 75 5.093 11.154 17.255 1.00 2.12 C ATOM 1144 CD2 TYR A 75 4.088 9.237 18.254 1.00 41.41 C ATOM 1145 CE1 TYR A 75 6.038 11.189 18.262 1.00 64.00 C ATOM 1146 CE2 TYR A 75 5.028 9.266 19.266 1.00 65.54 C ATOM 1147 CZ TYR A 75 6.002 10.243 19.265 1.00 72.20 C ATOM 1148 OH TYR A 75 6.941 10.275 20.270 1.00 13.04 O ATOM 0 H TYR A 75 0.840 11.138 17.348 1.00 53.22 H new ATOM 0 HA TYR A 75 3.079 12.264 15.769 1.00 2.00 H new ATOM 0 HB2 TYR A 75 2.339 9.369 16.352 1.00 54.51 H new ATOM 0 HB3 TYR A 75 3.560 9.862 15.195 1.00 54.51 H new ATOM 0 HD1 TYR A 75 5.124 11.897 16.472 1.00 2.12 H new ATOM 0 HD2 TYR A 75 3.328 8.470 18.257 1.00 41.41 H new ATOM 0 HE1 TYR A 75 6.801 11.953 18.264 1.00 64.00 H new ATOM 0 HE2 TYR A 75 5.000 8.528 20.054 1.00 65.54 H new ATOM 0 HH TYR A 75 7.336 9.384 20.377 1.00 13.04 H new ATOM 1158 N HIS A 76 1.909 11.986 13.597 1.00 51.41 N ATOM 1159 CA HIS A 76 1.150 11.983 12.351 1.00 24.01 C ATOM 1160 C HIS A 76 1.741 10.986 11.358 1.00 35.25 C ATOM 1161 O HIS A 76 1.229 10.820 10.251 1.00 52.23 O ATOM 1162 CB HIS A 76 1.133 13.383 11.736 1.00 32.32 C ATOM 1163 CG HIS A 76 2.482 14.032 11.685 1.00 33.43 C ATOM 1164 ND1 HIS A 76 2.669 15.390 11.827 1.00 41.44 N ATOM 1165 CD2 HIS A 76 3.714 13.500 11.509 1.00 31.31 C ATOM 1166 CE1 HIS A 76 3.958 15.666 11.738 1.00 51.42 C ATOM 1167 NE2 HIS A 76 4.614 14.536 11.546 1.00 51.24 N ATOM 0 H HIS A 76 2.804 12.472 13.544 1.00 51.41 H new ATOM 0 HA HIS A 76 0.127 11.681 12.578 1.00 24.01 H new ATOM 0 HB2 HIS A 76 0.730 13.322 10.725 1.00 32.32 H new ATOM 0 HB3 HIS A 76 0.456 14.015 12.311 1.00 32.32 H new ATOM 0 HD2 HIS A 76 3.946 12.455 11.366 1.00 31.31 H new ATOM 0 HE1 HIS A 76 4.400 16.649 11.810 1.00 51.42 H new ATOM 0 HE2 HIS A 76 5.625 14.447 11.442 1.00 51.24 H new ATOM 1175 N HIS A 77 2.820 10.324 11.763 1.00 44.34 N ATOM 1176 CA HIS A 77 3.480 9.343 10.908 1.00 3.44 C ATOM 1177 C HIS A 77 4.670 8.712 11.625 1.00 43.11 C ATOM 1178 O HIS A 77 4.744 7.492 11.768 1.00 41.24 O ATOM 1179 CB HIS A 77 3.943 9.999 9.607 1.00 71.43 C ATOM 1180 CG HIS A 77 4.811 9.114 8.766 1.00 32.40 C ATOM 1181 ND1 HIS A 77 4.338 8.408 7.679 1.00 0.55 N ATOM 1182 CD2 HIS A 77 6.130 8.823 8.857 1.00 74.44 C ATOM 1183 CE1 HIS A 77 5.328 7.721 7.139 1.00 20.41 C ATOM 1184 NE2 HIS A 77 6.426 7.955 7.834 1.00 23.15 N ATOM 0 H HIS A 77 3.256 10.449 12.677 1.00 44.34 H new ATOM 0 HA HIS A 77 2.761 8.558 10.674 1.00 3.44 H new ATOM 0 HB2 HIS A 77 3.068 10.294 9.027 1.00 71.43 H new ATOM 0 HB3 HIS A 77 4.490 10.911 9.844 1.00 71.43 H new ATOM 0 HD2 HIS A 77 6.821 9.202 9.596 1.00 74.44 H new ATOM 0 HE1 HIS A 77 5.252 7.077 6.275 1.00 20.41 H new ATOM 0 HE2 HIS A 77 7.345 7.556 7.642 1.00 23.15 H new ATOM 1192 N GLU A 78 5.599 9.552 12.072 1.00 20.42 N ATOM 1193 CA GLU A 78 6.786 9.074 12.772 1.00 11.21 C ATOM 1194 C GLU A 78 6.495 8.865 14.255 1.00 24.15 C ATOM 1195 O GLU A 78 5.858 9.699 14.898 1.00 73.24 O ATOM 1196 CB GLU A 78 7.939 10.066 12.602 1.00 72.42 C ATOM 1197 CG GLU A 78 7.617 11.465 13.100 1.00 23.53 C ATOM 1198 CD GLU A 78 7.600 12.492 11.985 1.00 62.31 C ATOM 1199 OE1 GLU A 78 6.994 12.213 10.930 1.00 71.43 O ATOM 1200 OE2 GLU A 78 8.194 13.575 12.168 1.00 14.32 O ATOM 0 H GLU A 78 5.553 10.565 11.962 1.00 20.42 H new ATOM 0 HA GLU A 78 7.073 8.117 12.337 1.00 11.21 H new ATOM 0 HB2 GLU A 78 8.812 9.691 13.137 1.00 72.42 H new ATOM 0 HB3 GLU A 78 8.210 10.118 11.547 1.00 72.42 H new ATOM 0 HG2 GLU A 78 6.646 11.456 13.595 1.00 23.53 H new ATOM 0 HG3 GLU A 78 8.353 11.759 13.848 1.00 23.53 H new ATOM 1207 N ALA A 79 6.968 7.745 14.793 1.00 72.25 N ATOM 1208 CA ALA A 79 6.761 7.426 16.200 1.00 74.34 C ATOM 1209 C ALA A 79 7.794 6.418 16.692 1.00 1.41 C ATOM 1210 O ALA A 79 7.592 5.209 16.590 1.00 62.24 O ATOM 1211 CB ALA A 79 5.353 6.890 16.418 1.00 42.23 C ATOM 0 H ALA A 79 7.497 7.044 14.275 1.00 72.25 H new ATOM 0 HA ALA A 79 6.883 8.343 16.777 1.00 74.34 H new ATOM 0 HB1 ALA A 79 5.212 6.656 17.473 1.00 42.23 H new ATOM 0 HB2 ALA A 79 4.626 7.643 16.113 1.00 42.23 H new ATOM 0 HB3 ALA A 79 5.211 5.987 15.824 1.00 42.23 H new ATOM 1217 N GLN A 80 8.901 6.926 17.226 1.00 74.23 N ATOM 1218 CA GLN A 80 9.966 6.069 17.732 1.00 1.04 C ATOM 1219 C GLN A 80 10.211 6.324 19.216 1.00 14.00 C ATOM 1220 O GLN A 80 10.246 7.471 19.662 1.00 75.01 O ATOM 1221 CB GLN A 80 11.256 6.302 16.943 1.00 14.34 C ATOM 1222 CG GLN A 80 12.488 5.702 17.601 1.00 40.15 C ATOM 1223 CD GLN A 80 13.270 4.803 16.663 1.00 33.23 C ATOM 1224 OE1 GLN A 80 13.424 3.607 16.916 1.00 54.51 O ATOM 1225 NE2 GLN A 80 13.768 5.374 15.573 1.00 25.12 N ATOM 0 H GLN A 80 9.083 7.925 17.319 1.00 74.23 H new ATOM 0 HA GLN A 80 9.654 5.032 17.606 1.00 1.04 H new ATOM 0 HB2 GLN A 80 11.144 5.877 15.945 1.00 14.34 H new ATOM 0 HB3 GLN A 80 11.407 7.374 16.818 1.00 14.34 H new ATOM 0 HG2 GLN A 80 13.135 6.505 17.952 1.00 40.15 H new ATOM 0 HG3 GLN A 80 12.185 5.130 18.478 1.00 40.15 H new ATOM 0 HE21 GLN A 80 13.616 6.368 15.403 1.00 25.12 H new ATOM 0 HE22 GLN A 80 14.303 4.818 14.905 1.00 25.12 H new ATOM 1234 N VAL A 81 10.379 5.247 19.977 1.00 61.03 N ATOM 1235 CA VAL A 81 10.621 5.354 21.411 1.00 71.15 C ATOM 1236 C VAL A 81 11.889 4.608 21.811 1.00 34.22 C ATOM 1237 O VAL A 81 12.071 3.442 21.463 1.00 33.44 O ATOM 1238 CB VAL A 81 9.435 4.801 22.223 1.00 54.04 C ATOM 1239 CG1 VAL A 81 9.601 5.125 23.699 1.00 22.35 C ATOM 1240 CG2 VAL A 81 8.121 5.356 21.692 1.00 64.34 C ATOM 0 H VAL A 81 10.352 4.290 19.624 1.00 61.03 H new ATOM 0 HA VAL A 81 10.741 6.414 21.634 1.00 71.15 H new ATOM 0 HB VAL A 81 9.417 3.717 22.113 1.00 54.04 H new ATOM 0 HG11 VAL A 81 8.753 4.726 24.257 1.00 22.35 H new ATOM 0 HG12 VAL A 81 10.523 4.675 24.069 1.00 22.35 H new ATOM 0 HG13 VAL A 81 9.646 6.206 23.831 1.00 22.35 H new ATOM 0 HG21 VAL A 81 7.294 4.955 22.277 1.00 64.34 H new ATOM 0 HG22 VAL A 81 8.127 6.443 21.770 1.00 64.34 H new ATOM 0 HG23 VAL A 81 8.000 5.068 20.648 1.00 64.34 H new ATOM 1250 N ALA A 82 12.762 5.289 22.545 1.00 24.24 N ATOM 1251 CA ALA A 82 14.012 4.690 22.996 1.00 25.10 C ATOM 1252 C ALA A 82 13.873 4.124 24.405 1.00 4.02 C ATOM 1253 O ALA A 82 13.290 4.758 25.285 1.00 72.23 O ATOM 1254 CB ALA A 82 15.137 5.714 22.945 1.00 71.42 C ATOM 0 H ALA A 82 12.627 6.256 22.840 1.00 24.24 H new ATOM 0 HA ALA A 82 14.254 3.866 22.324 1.00 25.10 H new ATOM 0 HB1 ALA A 82 16.064 5.253 23.285 1.00 71.42 H new ATOM 0 HB2 ALA A 82 15.261 6.068 21.921 1.00 71.42 H new ATOM 0 HB3 ALA A 82 14.892 6.556 23.593 1.00 71.42 H new ATOM 1260 N PHE A 83 14.413 2.927 24.613 1.00 14.32 N ATOM 1261 CA PHE A 83 14.347 2.275 25.916 1.00 41.21 C ATOM 1262 C PHE A 83 15.747 2.011 26.463 1.00 51.21 C ATOM 1263 O PHE A 83 16.301 0.921 26.321 1.00 32.21 O ATOM 1264 CB PHE A 83 13.571 0.961 25.813 1.00 30.43 C ATOM 1265 CG PHE A 83 12.296 1.077 25.027 1.00 23.34 C ATOM 1266 CD1 PHE A 83 11.335 2.012 25.376 1.00 71.44 C ATOM 1267 CD2 PHE A 83 12.059 0.251 23.941 1.00 64.55 C ATOM 1268 CE1 PHE A 83 10.161 2.121 24.654 1.00 11.33 C ATOM 1269 CE2 PHE A 83 10.888 0.356 23.215 1.00 34.03 C ATOM 1270 CZ PHE A 83 9.937 1.292 23.573 1.00 33.43 C ATOM 0 H PHE A 83 14.901 2.389 23.896 1.00 14.32 H new ATOM 0 HA PHE A 83 13.827 2.943 26.603 1.00 41.21 H new ATOM 0 HB2 PHE A 83 14.208 0.208 25.348 1.00 30.43 H new ATOM 0 HB3 PHE A 83 13.338 0.606 26.817 1.00 30.43 H new ATOM 0 HD1 PHE A 83 11.505 2.663 26.221 1.00 71.44 H new ATOM 0 HD2 PHE A 83 12.798 -0.484 23.658 1.00 64.55 H new ATOM 0 HE1 PHE A 83 9.420 2.854 24.935 1.00 11.33 H new ATOM 0 HE2 PHE A 83 10.716 -0.293 22.369 1.00 34.03 H new ATOM 0 HZ PHE A 83 9.020 1.375 23.008 1.00 33.43 H new ATOM 1280 N PRO A 84 16.334 3.033 27.103 1.00 12.22 N ATOM 1281 CA PRO A 84 17.676 2.937 27.685 1.00 40.04 C ATOM 1282 C PRO A 84 17.715 2.022 28.904 1.00 4.41 C ATOM 1283 O PRO A 84 16.899 2.153 29.816 1.00 31.34 O ATOM 1284 CB PRO A 84 17.992 4.379 28.088 1.00 42.53 C ATOM 1285 CG PRO A 84 16.661 5.016 28.294 1.00 20.54 C ATOM 1286 CD PRO A 84 15.732 4.361 27.309 1.00 1.34 C ATOM 0 HA PRO A 84 18.394 2.509 26.986 1.00 40.04 H new ATOM 0 HB2 PRO A 84 18.592 4.413 28.997 1.00 42.53 H new ATOM 0 HB3 PRO A 84 18.560 4.891 27.312 1.00 42.53 H new ATOM 0 HG2 PRO A 84 16.312 4.870 29.316 1.00 20.54 H new ATOM 0 HG3 PRO A 84 16.713 6.092 28.126 1.00 20.54 H new ATOM 0 HD2 PRO A 84 14.718 4.286 27.702 1.00 1.34 H new ATOM 0 HD3 PRO A 84 15.672 4.924 26.378 1.00 1.34 H new ATOM 1294 N TYR A 85 18.669 1.098 28.914 1.00 61.23 N ATOM 1295 CA TYR A 85 18.813 0.160 30.021 1.00 62.02 C ATOM 1296 C TYR A 85 19.163 0.892 31.313 1.00 70.02 C ATOM 1297 O TYR A 85 19.663 2.016 31.287 1.00 52.23 O ATOM 1298 CB TYR A 85 19.891 -0.877 29.701 1.00 3.11 C ATOM 1299 CG TYR A 85 19.561 -1.746 28.509 1.00 42.24 C ATOM 1300 CD1 TYR A 85 18.261 -2.177 28.278 1.00 73.43 C ATOM 1301 CD2 TYR A 85 20.549 -2.136 27.613 1.00 24.14 C ATOM 1302 CE1 TYR A 85 17.954 -2.972 27.190 1.00 42.01 C ATOM 1303 CE2 TYR A 85 20.252 -2.929 26.522 1.00 31.11 C ATOM 1304 CZ TYR A 85 18.953 -3.345 26.315 1.00 41.32 C ATOM 1305 OH TYR A 85 18.653 -4.136 25.230 1.00 50.03 O ATOM 0 H TYR A 85 19.354 0.978 28.168 1.00 61.23 H new ATOM 0 HA TYR A 85 17.859 -0.348 30.160 1.00 62.02 H new ATOM 0 HB2 TYR A 85 20.834 -0.363 29.515 1.00 3.11 H new ATOM 0 HB3 TYR A 85 20.041 -1.513 30.573 1.00 3.11 H new ATOM 0 HD1 TYR A 85 17.476 -1.886 28.961 1.00 73.43 H new ATOM 0 HD2 TYR A 85 21.567 -1.813 27.773 1.00 24.14 H new ATOM 0 HE1 TYR A 85 16.938 -3.299 27.026 1.00 42.01 H new ATOM 0 HE2 TYR A 85 21.032 -3.222 25.835 1.00 31.11 H new ATOM 0 HH TYR A 85 19.469 -4.307 24.714 1.00 50.03 H new ATOM 1315 N ALA A 86 18.897 0.245 32.443 1.00 75.35 N ATOM 1316 CA ALA A 86 19.185 0.831 33.745 1.00 12.44 C ATOM 1317 C ALA A 86 20.141 -0.048 34.544 1.00 32.11 C ATOM 1318 O ALA A 86 20.614 0.341 35.612 1.00 14.12 O ATOM 1319 CB ALA A 86 17.895 1.053 34.522 1.00 70.35 C ATOM 0 H ALA A 86 18.482 -0.686 32.482 1.00 75.35 H new ATOM 0 HA ALA A 86 19.669 1.794 33.582 1.00 12.44 H new ATOM 0 HB1 ALA A 86 18.126 1.491 35.493 1.00 70.35 H new ATOM 0 HB2 ALA A 86 17.246 1.728 33.964 1.00 70.35 H new ATOM 0 HB3 ALA A 86 17.388 0.099 34.666 1.00 70.35 H new ATOM 1325 N LYS A 87 20.421 -1.237 34.020 1.00 4.53 N ATOM 1326 CA LYS A 87 21.322 -2.172 34.684 1.00 74.33 C ATOM 1327 C LYS A 87 21.962 -3.120 33.674 1.00 1.51 C ATOM 1328 O LYS A 87 21.541 -3.188 32.520 1.00 45.03 O ATOM 1329 CB LYS A 87 20.565 -2.976 35.744 1.00 54.43 C ATOM 1330 CG LYS A 87 19.518 -3.912 35.165 1.00 64.31 C ATOM 1331 CD LYS A 87 19.947 -5.366 35.279 1.00 51.41 C ATOM 1332 CE LYS A 87 20.050 -5.804 36.732 1.00 51.12 C ATOM 1333 NZ LYS A 87 21.319 -6.535 37.002 1.00 40.30 N ATOM 0 H LYS A 87 20.037 -1.576 33.138 1.00 4.53 H new ATOM 0 HA LYS A 87 22.111 -1.596 35.168 1.00 74.33 H new ATOM 0 HB2 LYS A 87 21.280 -3.559 36.325 1.00 54.43 H new ATOM 0 HB3 LYS A 87 20.081 -2.285 36.435 1.00 54.43 H new ATOM 0 HG2 LYS A 87 18.572 -3.769 35.687 1.00 64.31 H new ATOM 0 HG3 LYS A 87 19.345 -3.663 34.118 1.00 64.31 H new ATOM 0 HD2 LYS A 87 19.231 -6.000 34.757 1.00 51.41 H new ATOM 0 HD3 LYS A 87 20.910 -5.502 34.788 1.00 51.41 H new ATOM 0 HE2 LYS A 87 19.990 -4.930 37.380 1.00 51.12 H new ATOM 0 HE3 LYS A 87 19.203 -6.443 36.980 1.00 51.12 H new ATOM 0 HZ1 LYS A 87 21.766 -6.150 37.859 1.00 40.30 H new ATOM 0 HZ2 LYS A 87 21.115 -7.545 37.142 1.00 40.30 H new ATOM 0 HZ3 LYS A 87 21.964 -6.421 36.194 1.00 40.30 H new ATOM 1347 N ALA A 88 22.981 -3.849 34.118 1.00 75.13 N ATOM 1348 CA ALA A 88 23.676 -4.795 33.254 1.00 41.23 C ATOM 1349 C ALA A 88 23.140 -6.210 33.445 1.00 43.43 C ATOM 1350 O ALA A 88 23.152 -6.744 34.554 1.00 73.24 O ATOM 1351 CB ALA A 88 25.173 -4.754 33.524 1.00 71.20 C ATOM 0 H ALA A 88 23.343 -3.802 35.070 1.00 75.13 H new ATOM 0 HA ALA A 88 23.496 -4.504 32.219 1.00 41.23 H new ATOM 0 HB1 ALA A 88 25.680 -5.465 32.872 1.00 71.20 H new ATOM 0 HB2 ALA A 88 25.551 -3.750 33.329 1.00 71.20 H new ATOM 0 HB3 ALA A 88 25.362 -5.017 34.565 1.00 71.20 H new ATOM 1357 N VAL A 89 22.670 -6.812 32.357 1.00 45.54 N ATOM 1358 CA VAL A 89 22.131 -8.165 32.404 1.00 35.05 C ATOM 1359 C VAL A 89 22.329 -8.883 31.074 1.00 32.24 C ATOM 1360 O VAL A 89 22.181 -8.288 30.008 1.00 71.43 O ATOM 1361 CB VAL A 89 20.630 -8.159 32.753 1.00 3.24 C ATOM 1362 CG1 VAL A 89 20.429 -8.338 34.251 1.00 44.45 C ATOM 1363 CG2 VAL A 89 19.976 -6.874 32.269 1.00 5.51 C ATOM 0 H VAL A 89 22.652 -6.383 31.432 1.00 45.54 H new ATOM 0 HA VAL A 89 22.677 -8.696 33.184 1.00 35.05 H new ATOM 0 HB VAL A 89 20.153 -8.997 32.244 1.00 3.24 H new ATOM 0 HG11 VAL A 89 19.363 -8.331 34.478 1.00 44.45 H new ATOM 0 HG12 VAL A 89 20.861 -9.288 34.565 1.00 44.45 H new ATOM 0 HG13 VAL A 89 20.919 -7.523 34.784 1.00 44.45 H new ATOM 0 HG21 VAL A 89 18.916 -6.887 32.524 1.00 5.51 H new ATOM 0 HG22 VAL A 89 20.454 -6.020 32.748 1.00 5.51 H new ATOM 0 HG23 VAL A 89 20.088 -6.793 31.188 1.00 5.51 H new ATOM 1373 N GLY A 90 22.664 -10.168 31.146 1.00 44.22 N ATOM 1374 CA GLY A 90 22.877 -10.947 29.940 1.00 4.01 C ATOM 1375 C GLY A 90 21.752 -11.928 29.677 1.00 1.05 C ATOM 1376 O GLY A 90 21.941 -12.928 28.985 1.00 2.44 O ATOM 0 H GLY A 90 22.792 -10.683 32.017 1.00 44.22 H new ATOM 0 HA2 GLY A 90 22.974 -10.273 29.089 1.00 4.01 H new ATOM 0 HA3 GLY A 90 23.817 -11.492 30.024 1.00 4.01 H new ATOM 1380 N GLU A 91 20.578 -11.643 30.233 1.00 45.41 N ATOM 1381 CA GLU A 91 19.420 -12.510 30.056 1.00 14.15 C ATOM 1382 C GLU A 91 18.364 -11.837 29.184 1.00 41.22 C ATOM 1383 O GLU A 91 18.365 -10.621 28.992 1.00 53.25 O ATOM 1384 CB GLU A 91 18.817 -12.875 31.415 1.00 72.35 C ATOM 1385 CG GLU A 91 19.321 -14.197 31.969 1.00 64.13 C ATOM 1386 CD GLU A 91 18.507 -14.683 33.152 1.00 52.32 C ATOM 1387 OE1 GLU A 91 18.522 -14.006 34.201 1.00 32.11 O ATOM 1388 OE2 GLU A 91 17.854 -15.740 33.028 1.00 73.14 O ATOM 0 H GLU A 91 20.405 -10.819 30.809 1.00 45.41 H new ATOM 0 HA GLU A 91 19.752 -13.420 29.557 1.00 14.15 H new ATOM 0 HB2 GLU A 91 19.043 -12.082 32.128 1.00 72.35 H new ATOM 0 HB3 GLU A 91 17.732 -12.920 31.321 1.00 72.35 H new ATOM 0 HG2 GLU A 91 19.295 -14.950 31.181 1.00 64.13 H new ATOM 0 HG3 GLU A 91 20.363 -14.087 32.270 1.00 64.13 H new ATOM 1395 N PRO A 92 17.442 -12.646 28.642 1.00 52.24 N ATOM 1396 CA PRO A 92 16.363 -12.151 27.780 1.00 23.54 C ATOM 1397 C PRO A 92 15.334 -11.333 28.552 1.00 31.24 C ATOM 1398 O PRO A 92 15.138 -11.535 29.751 1.00 23.41 O ATOM 1399 CB PRO A 92 15.728 -13.433 27.236 1.00 22.52 C ATOM 1400 CG PRO A 92 16.039 -14.473 28.257 1.00 34.02 C ATOM 1401 CD PRO A 92 17.380 -14.105 28.828 1.00 22.21 C ATOM 0 HA PRO A 92 16.735 -11.481 27.005 1.00 23.54 H new ATOM 0 HB2 PRO A 92 14.652 -13.317 27.104 1.00 22.52 H new ATOM 0 HB3 PRO A 92 16.142 -13.698 26.263 1.00 22.52 H new ATOM 0 HG2 PRO A 92 15.276 -14.496 29.035 1.00 34.02 H new ATOM 0 HG3 PRO A 92 16.065 -15.466 27.807 1.00 34.02 H new ATOM 0 HD2 PRO A 92 17.458 -14.379 29.880 1.00 22.21 H new ATOM 0 HD3 PRO A 92 18.192 -14.611 28.306 1.00 22.21 H new ATOM 1409 N TYR A 93 14.678 -10.410 27.858 1.00 3.34 N ATOM 1410 CA TYR A 93 13.670 -9.559 28.480 1.00 71.43 C ATOM 1411 C TYR A 93 12.403 -9.508 27.631 1.00 32.14 C ATOM 1412 O TYR A 93 12.397 -9.931 26.475 1.00 5.31 O ATOM 1413 CB TYR A 93 14.219 -8.146 28.682 1.00 32.14 C ATOM 1414 CG TYR A 93 15.197 -7.717 27.612 1.00 31.11 C ATOM 1415 CD1 TYR A 93 16.540 -8.066 27.690 1.00 55.32 C ATOM 1416 CD2 TYR A 93 14.778 -6.964 26.522 1.00 12.22 C ATOM 1417 CE1 TYR A 93 17.437 -7.675 26.715 1.00 75.24 C ATOM 1418 CE2 TYR A 93 15.668 -6.570 25.541 1.00 35.15 C ATOM 1419 CZ TYR A 93 16.996 -6.928 25.642 1.00 12.24 C ATOM 1420 OH TYR A 93 17.886 -6.538 24.668 1.00 30.01 O ATOM 0 H TYR A 93 14.826 -10.232 26.865 1.00 3.34 H new ATOM 0 HA TYR A 93 13.419 -9.986 29.451 1.00 71.43 H new ATOM 0 HB2 TYR A 93 13.387 -7.442 28.705 1.00 32.14 H new ATOM 0 HB3 TYR A 93 14.710 -8.092 29.654 1.00 32.14 H new ATOM 0 HD1 TYR A 93 16.888 -8.653 28.527 1.00 55.32 H new ATOM 0 HD2 TYR A 93 13.739 -6.682 26.440 1.00 12.22 H new ATOM 0 HE1 TYR A 93 18.478 -7.952 26.792 1.00 75.24 H new ATOM 0 HE2 TYR A 93 15.326 -5.985 24.700 1.00 35.15 H new ATOM 0 HH TYR A 93 18.373 -5.743 24.969 1.00 30.01 H new ATOM 1430 N LYS A 94 11.329 -8.986 28.215 1.00 61.32 N ATOM 1431 CA LYS A 94 10.055 -8.876 27.515 1.00 72.34 C ATOM 1432 C LYS A 94 9.737 -7.420 27.190 1.00 74.44 C ATOM 1433 O LYS A 94 10.092 -6.513 27.943 1.00 32.34 O ATOM 1434 CB LYS A 94 8.931 -9.478 28.361 1.00 71.51 C ATOM 1435 CG LYS A 94 7.762 -9.996 27.540 1.00 24.43 C ATOM 1436 CD LYS A 94 6.535 -9.115 27.700 1.00 50.14 C ATOM 1437 CE LYS A 94 5.853 -9.346 29.039 1.00 34.51 C ATOM 1438 NZ LYS A 94 5.348 -10.741 29.171 1.00 62.41 N ATOM 0 H LYS A 94 11.316 -8.633 29.172 1.00 61.32 H new ATOM 0 HA LYS A 94 10.134 -9.430 26.580 1.00 72.34 H new ATOM 0 HB2 LYS A 94 9.335 -10.295 28.958 1.00 71.51 H new ATOM 0 HB3 LYS A 94 8.568 -8.723 29.058 1.00 71.51 H new ATOM 0 HG2 LYS A 94 8.045 -10.039 26.488 1.00 24.43 H new ATOM 0 HG3 LYS A 94 7.523 -11.014 27.848 1.00 24.43 H new ATOM 0 HD2 LYS A 94 6.824 -8.068 27.614 1.00 50.14 H new ATOM 0 HD3 LYS A 94 5.832 -9.319 26.893 1.00 50.14 H new ATOM 0 HE2 LYS A 94 6.556 -9.136 29.845 1.00 34.51 H new ATOM 0 HE3 LYS A 94 5.024 -8.648 29.149 1.00 34.51 H new ATOM 0 HZ1 LYS A 94 4.605 -10.774 29.898 1.00 62.41 H new ATOM 0 HZ2 LYS A 94 4.956 -11.056 28.261 1.00 62.41 H new ATOM 0 HZ3 LYS A 94 6.130 -11.369 29.446 1.00 62.41 H new ATOM 1452 N LEU A 95 9.064 -7.204 26.064 1.00 4.45 N ATOM 1453 CA LEU A 95 8.696 -5.857 25.640 1.00 24.14 C ATOM 1454 C LEU A 95 7.194 -5.753 25.401 1.00 74.30 C ATOM 1455 O LEU A 95 6.595 -6.619 24.763 1.00 74.12 O ATOM 1456 CB LEU A 95 9.455 -5.477 24.367 1.00 33.04 C ATOM 1457 CG LEU A 95 8.810 -4.395 23.500 1.00 22.20 C ATOM 1458 CD1 LEU A 95 8.615 -3.116 24.299 1.00 32.33 C ATOM 1459 CD2 LEU A 95 9.656 -4.129 22.263 1.00 32.41 C ATOM 0 H LEU A 95 8.763 -7.943 25.429 1.00 4.45 H new ATOM 0 HA LEU A 95 8.967 -5.165 26.437 1.00 24.14 H new ATOM 0 HB2 LEU A 95 10.453 -5.142 24.649 1.00 33.04 H new ATOM 0 HB3 LEU A 95 9.580 -6.374 23.761 1.00 33.04 H new ATOM 0 HG LEU A 95 7.831 -4.750 23.178 1.00 22.20 H new ATOM 0 HD11 LEU A 95 8.155 -2.358 23.665 1.00 32.33 H new ATOM 0 HD12 LEU A 95 7.969 -3.316 25.154 1.00 32.33 H new ATOM 0 HD13 LEU A 95 9.582 -2.756 24.652 1.00 32.33 H new ATOM 0 HD21 LEU A 95 9.182 -3.356 21.657 1.00 32.41 H new ATOM 0 HD22 LEU A 95 10.648 -3.795 22.566 1.00 32.41 H new ATOM 0 HD23 LEU A 95 9.744 -5.045 21.679 1.00 32.41 H new ATOM 1471 N VAL A 96 6.590 -4.687 25.915 1.00 12.44 N ATOM 1472 CA VAL A 96 5.157 -4.467 25.755 1.00 64.22 C ATOM 1473 C VAL A 96 4.877 -3.109 25.123 1.00 40.45 C ATOM 1474 O VAL A 96 5.214 -2.067 25.687 1.00 33.15 O ATOM 1475 CB VAL A 96 4.421 -4.554 27.105 1.00 24.50 C ATOM 1476 CG1 VAL A 96 2.919 -4.432 26.903 1.00 33.21 C ATOM 1477 CG2 VAL A 96 4.768 -5.853 27.817 1.00 20.23 C ATOM 0 H VAL A 96 7.071 -3.961 26.446 1.00 12.44 H new ATOM 0 HA VAL A 96 4.788 -5.254 25.097 1.00 64.22 H new ATOM 0 HB VAL A 96 4.747 -3.724 27.732 1.00 24.50 H new ATOM 0 HG11 VAL A 96 2.416 -4.496 27.868 1.00 33.21 H new ATOM 0 HG12 VAL A 96 2.691 -3.473 26.438 1.00 33.21 H new ATOM 0 HG13 VAL A 96 2.572 -5.240 26.259 1.00 33.21 H new ATOM 0 HG21 VAL A 96 4.240 -5.898 28.769 1.00 20.23 H new ATOM 0 HG22 VAL A 96 4.471 -6.699 27.197 1.00 20.23 H new ATOM 0 HG23 VAL A 96 5.842 -5.894 27.996 1.00 20.23 H new ATOM 1487 N LEU A 97 4.258 -3.126 23.947 1.00 2.22 N ATOM 1488 CA LEU A 97 3.931 -1.894 23.237 1.00 61.44 C ATOM 1489 C LEU A 97 2.428 -1.783 23.003 1.00 31.40 C ATOM 1490 O LEU A 97 1.770 -2.761 22.646 1.00 73.04 O ATOM 1491 CB LEU A 97 4.672 -1.842 21.899 1.00 11.23 C ATOM 1492 CG LEU A 97 5.866 -0.889 21.830 1.00 13.13 C ATOM 1493 CD1 LEU A 97 7.112 -1.627 21.366 1.00 33.03 C ATOM 1494 CD2 LEU A 97 5.561 0.281 20.906 1.00 4.10 C ATOM 0 H LEU A 97 3.973 -3.979 23.465 1.00 2.22 H new ATOM 0 HA LEU A 97 4.247 -1.053 23.854 1.00 61.44 H new ATOM 0 HB2 LEU A 97 5.020 -2.847 21.660 1.00 11.23 H new ATOM 0 HB3 LEU A 97 3.961 -1.558 21.123 1.00 11.23 H new ATOM 0 HG LEU A 97 6.053 -0.497 22.830 1.00 13.13 H new ATOM 0 HD11 LEU A 97 7.951 -0.933 21.323 1.00 33.03 H new ATOM 0 HD12 LEU A 97 7.341 -2.430 22.066 1.00 33.03 H new ATOM 0 HD13 LEU A 97 6.938 -2.048 20.376 1.00 33.03 H new ATOM 0 HD21 LEU A 97 6.421 0.949 20.869 1.00 4.10 H new ATOM 0 HD22 LEU A 97 5.348 -0.092 19.904 1.00 4.10 H new ATOM 0 HD23 LEU A 97 4.695 0.826 21.282 1.00 4.10 H new ATOM 1506 N THR A 98 1.890 -0.585 23.205 1.00 15.33 N ATOM 1507 CA THR A 98 0.464 -0.345 23.016 1.00 65.10 C ATOM 1508 C THR A 98 0.223 0.926 22.210 1.00 61.13 C ATOM 1509 O THR A 98 0.692 2.004 22.576 1.00 21.32 O ATOM 1510 CB THR A 98 -0.270 -0.231 24.365 1.00 11.10 C ATOM 1511 OG1 THR A 98 0.197 -1.243 25.264 1.00 10.43 O ATOM 1512 CG2 THR A 98 -1.773 -0.368 24.176 1.00 73.10 C ATOM 0 H THR A 98 2.420 0.235 23.500 1.00 15.33 H new ATOM 0 HA THR A 98 0.069 -1.200 22.467 1.00 65.10 H new ATOM 0 HB THR A 98 -0.061 0.753 24.786 1.00 11.10 H new ATOM 0 HG1 THR A 98 -0.273 -1.163 26.120 1.00 10.43 H new ATOM 0 HG21 THR A 98 -2.270 -0.284 25.142 1.00 73.10 H new ATOM 0 HG22 THR A 98 -2.130 0.421 23.514 1.00 73.10 H new ATOM 0 HG23 THR A 98 -1.997 -1.340 23.736 1.00 73.10 H new ATOM 1520 N TYR A 99 -0.511 0.793 21.111 1.00 54.11 N ATOM 1521 CA TYR A 99 -0.814 1.932 20.251 1.00 22.55 C ATOM 1522 C TYR A 99 -2.305 2.252 20.277 1.00 51.33 C ATOM 1523 O TYR A 99 -3.145 1.354 20.222 1.00 45.01 O ATOM 1524 CB TYR A 99 -0.366 1.647 18.817 1.00 51.32 C ATOM 1525 CG TYR A 99 0.526 0.433 18.690 1.00 2.22 C ATOM 1526 CD1 TYR A 99 1.835 0.456 19.157 1.00 54.21 C ATOM 1527 CD2 TYR A 99 0.060 -0.738 18.104 1.00 1.45 C ATOM 1528 CE1 TYR A 99 2.653 -0.650 19.042 1.00 23.55 C ATOM 1529 CE2 TYR A 99 0.871 -1.850 17.987 1.00 4.42 C ATOM 1530 CZ TYR A 99 2.167 -1.801 18.457 1.00 2.02 C ATOM 1531 OH TYR A 99 2.979 -2.906 18.343 1.00 63.03 O ATOM 0 H TYR A 99 -0.907 -0.092 20.794 1.00 54.11 H new ATOM 0 HA TYR A 99 -0.269 2.797 20.629 1.00 22.55 H new ATOM 0 HB2 TYR A 99 -1.247 1.507 18.191 1.00 51.32 H new ATOM 0 HB3 TYR A 99 0.163 2.518 18.431 1.00 51.32 H new ATOM 0 HD1 TYR A 99 2.219 1.354 19.618 1.00 54.21 H new ATOM 0 HD2 TYR A 99 -0.954 -0.779 17.734 1.00 1.45 H new ATOM 0 HE1 TYR A 99 3.668 -0.614 19.408 1.00 23.55 H new ATOM 0 HE2 TYR A 99 0.493 -2.753 17.530 1.00 4.42 H new ATOM 0 HH TYR A 99 3.624 -2.916 19.081 1.00 63.03 H new ATOM 1541 N GLN A 100 -2.625 3.540 20.359 1.00 35.54 N ATOM 1542 CA GLN A 100 -4.015 3.980 20.392 1.00 32.21 C ATOM 1543 C GLN A 100 -4.145 5.410 19.880 1.00 52.34 C ATOM 1544 O GLN A 100 -3.495 6.323 20.387 1.00 52.54 O ATOM 1545 CB GLN A 100 -4.570 3.883 21.814 1.00 23.44 C ATOM 1546 CG GLN A 100 -6.063 4.154 21.905 1.00 23.31 C ATOM 1547 CD GLN A 100 -6.388 5.336 22.797 1.00 71.41 C ATOM 1548 OE1 GLN A 100 -6.602 5.180 24.000 1.00 44.33 O ATOM 1549 NE2 GLN A 100 -6.428 6.527 22.211 1.00 64.40 N ATOM 0 H GLN A 100 -1.942 4.296 20.404 1.00 35.54 H new ATOM 0 HA GLN A 100 -4.592 3.325 19.739 1.00 32.21 H new ATOM 0 HB2 GLN A 100 -4.365 2.887 22.208 1.00 23.44 H new ATOM 0 HB3 GLN A 100 -4.041 4.592 22.451 1.00 23.44 H new ATOM 0 HG2 GLN A 100 -6.456 4.339 20.905 1.00 23.31 H new ATOM 0 HG3 GLN A 100 -6.567 3.266 22.287 1.00 23.31 H new ATOM 0 HE21 GLN A 100 -6.244 6.610 21.211 1.00 64.40 H new ATOM 0 HE22 GLN A 100 -6.643 7.359 22.761 1.00 64.40 H new ATOM 1558 N GLY A 101 -4.990 5.598 18.870 1.00 61.31 N ATOM 1559 CA GLY A 101 -5.189 6.920 18.305 1.00 32.41 C ATOM 1560 C GLY A 101 -6.463 7.015 17.489 1.00 42.23 C ATOM 1561 O GLY A 101 -7.407 6.257 17.708 1.00 72.30 O ATOM 0 H GLY A 101 -5.540 4.858 18.433 1.00 61.31 H new ATOM 0 HA2 GLY A 101 -5.221 7.655 19.110 1.00 32.41 H new ATOM 0 HA3 GLY A 101 -4.337 7.174 17.674 1.00 32.41 H new ATOM 1565 N SER A 102 -6.490 7.951 16.545 1.00 12.02 N ATOM 1566 CA SER A 102 -7.660 8.147 15.697 1.00 42.13 C ATOM 1567 C SER A 102 -7.244 8.512 14.275 1.00 74.54 C ATOM 1568 O SER A 102 -6.069 8.751 14.002 1.00 64.11 O ATOM 1569 CB SER A 102 -8.558 9.243 16.275 1.00 65.14 C ATOM 1570 OG SER A 102 -9.733 8.692 16.842 1.00 13.24 O ATOM 0 H SER A 102 -5.715 8.585 16.348 1.00 12.02 H new ATOM 0 HA SER A 102 -8.217 7.210 15.666 1.00 42.13 H new ATOM 0 HB2 SER A 102 -8.012 9.802 17.034 1.00 65.14 H new ATOM 0 HB3 SER A 102 -8.826 9.950 15.490 1.00 65.14 H new ATOM 0 HG SER A 102 -10.423 8.612 16.151 1.00 13.24 H new ATOM 1576 N ALA A 103 -8.219 8.551 13.372 1.00 11.31 N ATOM 1577 CA ALA A 103 -7.956 8.888 11.978 1.00 15.25 C ATOM 1578 C ALA A 103 -8.211 10.368 11.714 1.00 11.20 C ATOM 1579 O ALA A 103 -9.206 10.927 12.173 1.00 15.32 O ATOM 1580 CB ALA A 103 -8.812 8.031 11.058 1.00 72.31 C ATOM 0 H ALA A 103 -9.198 8.353 13.581 1.00 11.31 H new ATOM 0 HA ALA A 103 -6.905 8.685 11.772 1.00 15.25 H new ATOM 0 HB1 ALA A 103 -8.606 8.293 10.020 1.00 72.31 H new ATOM 0 HB2 ALA A 103 -8.579 6.979 11.220 1.00 72.31 H new ATOM 0 HB3 ALA A 103 -9.866 8.206 11.274 1.00 72.31 H new ATOM 1586 N GLU A 104 -7.305 10.997 10.972 1.00 63.31 N ATOM 1587 CA GLU A 104 -7.432 12.413 10.649 1.00 61.13 C ATOM 1588 C GLU A 104 -8.770 12.699 9.973 1.00 61.31 C ATOM 1589 O GLU A 104 -9.261 13.827 9.997 1.00 60.20 O ATOM 1590 CB GLU A 104 -6.284 12.856 9.740 1.00 41.45 C ATOM 1591 CG GLU A 104 -5.319 13.823 10.405 1.00 1.12 C ATOM 1592 CD GLU A 104 -4.792 14.874 9.447 1.00 30.22 C ATOM 1593 OE1 GLU A 104 -4.807 14.621 8.224 1.00 11.41 O ATOM 1594 OE2 GLU A 104 -4.365 15.948 9.920 1.00 63.41 O ATOM 0 H GLU A 104 -6.475 10.548 10.583 1.00 63.31 H new ATOM 0 HA GLU A 104 -7.387 12.977 11.580 1.00 61.13 H new ATOM 0 HB2 GLU A 104 -5.733 11.976 9.410 1.00 41.45 H new ATOM 0 HB3 GLU A 104 -6.699 13.326 8.848 1.00 41.45 H new ATOM 0 HG2 GLU A 104 -5.821 14.315 11.238 1.00 1.12 H new ATOM 0 HG3 GLU A 104 -4.481 13.265 10.822 1.00 1.12 H new ATOM 1601 N ALA A 105 -9.354 11.668 9.370 1.00 3.11 N ATOM 1602 CA ALA A 105 -10.635 11.807 8.689 1.00 42.21 C ATOM 1603 C ALA A 105 -11.775 11.961 9.690 1.00 41.12 C ATOM 1604 O ALA A 105 -12.790 12.592 9.397 1.00 21.23 O ATOM 1605 CB ALA A 105 -10.883 10.610 7.783 1.00 54.42 C ATOM 0 H ALA A 105 -8.960 10.728 9.340 1.00 3.11 H new ATOM 0 HA ALA A 105 -10.598 12.709 8.079 1.00 42.21 H new ATOM 0 HB1 ALA A 105 -11.843 10.727 7.281 1.00 54.42 H new ATOM 0 HB2 ALA A 105 -10.089 10.546 7.039 1.00 54.42 H new ATOM 0 HB3 ALA A 105 -10.894 9.698 8.380 1.00 54.42 H new ATOM 1611 N GLY A 106 -11.601 11.379 10.873 1.00 44.42 N ATOM 1612 CA GLY A 106 -12.624 11.463 11.898 1.00 2.15 C ATOM 1613 C GLY A 106 -13.109 10.099 12.347 1.00 64.55 C ATOM 1614 O GLY A 106 -14.313 9.859 12.441 1.00 5.40 O ATOM 0 H GLY A 106 -10.770 10.851 11.139 1.00 44.42 H new ATOM 0 HA2 GLY A 106 -12.229 12.006 12.757 1.00 2.15 H new ATOM 0 HA3 GLY A 106 -13.468 12.038 11.518 1.00 2.15 H new ATOM 1618 N VAL A 107 -12.169 9.199 12.622 1.00 0.50 N ATOM 1619 CA VAL A 107 -12.507 7.851 13.062 1.00 3.10 C ATOM 1620 C VAL A 107 -11.772 7.493 14.349 1.00 33.02 C ATOM 1621 O VAL A 107 -10.615 7.867 14.540 1.00 5.20 O ATOM 1622 CB VAL A 107 -12.167 6.807 11.982 1.00 25.33 C ATOM 1623 CG1 VAL A 107 -12.363 5.398 12.521 1.00 25.13 C ATOM 1624 CG2 VAL A 107 -13.012 7.033 10.738 1.00 61.30 C ATOM 0 H VAL A 107 -11.168 9.380 12.548 1.00 0.50 H new ATOM 0 HA VAL A 107 -13.581 7.837 13.245 1.00 3.10 H new ATOM 0 HB VAL A 107 -11.119 6.922 11.707 1.00 25.33 H new ATOM 0 HG11 VAL A 107 -12.118 4.674 11.744 1.00 25.13 H new ATOM 0 HG12 VAL A 107 -11.710 5.243 13.380 1.00 25.13 H new ATOM 0 HG13 VAL A 107 -13.401 5.266 12.826 1.00 25.13 H new ATOM 0 HG21 VAL A 107 -12.759 6.286 9.985 1.00 61.30 H new ATOM 0 HG22 VAL A 107 -14.068 6.946 10.995 1.00 61.30 H new ATOM 0 HG23 VAL A 107 -12.816 8.029 10.341 1.00 61.30 H new ATOM 1634 N CYS A 108 -12.452 6.766 15.229 1.00 52.12 N ATOM 1635 CA CYS A 108 -11.864 6.357 16.500 1.00 74.25 C ATOM 1636 C CYS A 108 -11.854 4.837 16.630 1.00 53.25 C ATOM 1637 O CYS A 108 -12.907 4.202 16.685 1.00 34.34 O ATOM 1638 CB CYS A 108 -12.637 6.975 17.665 1.00 10.54 C ATOM 1639 SG CYS A 108 -14.429 6.761 17.560 1.00 72.30 S ATOM 0 H CYS A 108 -13.410 6.448 15.086 1.00 52.12 H new ATOM 0 HA CYS A 108 -10.834 6.713 16.527 1.00 74.25 H new ATOM 0 HB2 CYS A 108 -12.283 6.533 18.596 1.00 10.54 H new ATOM 0 HB3 CYS A 108 -12.411 8.040 17.712 1.00 10.54 H new ATOM 0 HG CYS A 108 -14.698 5.571 17.112 1.00 72.30 H new ATOM 1645 N TYR A 109 -10.659 4.261 16.676 1.00 65.35 N ATOM 1646 CA TYR A 109 -10.511 2.815 16.795 1.00 51.04 C ATOM 1647 C TYR A 109 -9.961 2.435 18.166 1.00 35.50 C ATOM 1648 O TYR A 109 -9.357 3.245 18.868 1.00 41.51 O ATOM 1649 CB TYR A 109 -9.588 2.283 15.697 1.00 5.43 C ATOM 1650 CG TYR A 109 -8.417 3.193 15.397 1.00 34.24 C ATOM 1651 CD1 TYR A 109 -8.549 4.258 14.515 1.00 62.13 C ATOM 1652 CD2 TYR A 109 -7.181 2.987 15.996 1.00 64.23 C ATOM 1653 CE1 TYR A 109 -7.482 5.091 14.237 1.00 54.20 C ATOM 1654 CE2 TYR A 109 -6.109 3.816 15.725 1.00 32.31 C ATOM 1655 CZ TYR A 109 -6.265 4.866 14.845 1.00 0.30 C ATOM 1656 OH TYR A 109 -5.200 5.693 14.572 1.00 42.52 O ATOM 0 H TYR A 109 -9.778 4.773 16.633 1.00 65.35 H new ATOM 0 HA TYR A 109 -11.497 2.364 16.681 1.00 51.04 H new ATOM 0 HB2 TYR A 109 -9.210 1.305 15.994 1.00 5.43 H new ATOM 0 HB3 TYR A 109 -10.168 2.138 14.785 1.00 5.43 H new ATOM 0 HD1 TYR A 109 -9.501 4.438 14.039 1.00 62.13 H new ATOM 0 HD2 TYR A 109 -7.055 2.165 16.685 1.00 64.23 H new ATOM 0 HE1 TYR A 109 -7.601 5.914 13.547 1.00 54.20 H new ATOM 0 HE2 TYR A 109 -5.155 3.642 16.200 1.00 32.31 H new ATOM 0 HH TYR A 109 -5.306 6.078 13.677 1.00 42.52 H new ATOM 1666 N PRO A 110 -10.175 1.170 18.558 1.00 74.32 N ATOM 1667 CA PRO A 110 -9.709 0.651 19.847 1.00 61.31 C ATOM 1668 C PRO A 110 -8.191 0.515 19.902 1.00 32.42 C ATOM 1669 O PRO A 110 -7.509 0.487 18.878 1.00 64.41 O ATOM 1670 CB PRO A 110 -10.373 -0.726 19.936 1.00 2.34 C ATOM 1671 CG PRO A 110 -10.609 -1.125 18.521 1.00 62.13 C ATOM 1672 CD PRO A 110 -10.889 0.149 17.772 1.00 24.32 C ATOM 0 HA PRO A 110 -9.965 1.317 20.671 1.00 61.31 H new ATOM 0 HB2 PRO A 110 -9.731 -1.443 20.448 1.00 2.34 H new ATOM 0 HB3 PRO A 110 -11.307 -0.679 20.495 1.00 2.34 H new ATOM 0 HG2 PRO A 110 -9.739 -1.636 18.109 1.00 62.13 H new ATOM 0 HG3 PRO A 110 -11.449 -1.815 18.445 1.00 62.13 H new ATOM 0 HD2 PRO A 110 -10.522 0.102 16.747 1.00 24.32 H new ATOM 0 HD3 PRO A 110 -11.958 0.357 17.719 1.00 24.32 H new ATOM 1680 N PRO A 111 -7.648 0.427 21.126 1.00 51.45 N ATOM 1681 CA PRO A 111 -6.205 0.292 21.343 1.00 22.31 C ATOM 1682 C PRO A 111 -5.678 -1.071 20.905 1.00 11.32 C ATOM 1683 O PRO A 111 -6.406 -2.064 20.922 1.00 2.42 O ATOM 1684 CB PRO A 111 -6.057 0.461 22.857 1.00 20.43 C ATOM 1685 CG PRO A 111 -7.377 0.052 23.415 1.00 64.33 C ATOM 1686 CD PRO A 111 -8.401 0.454 22.391 1.00 74.05 C ATOM 0 HA PRO A 111 -5.636 1.017 20.762 1.00 22.31 H new ATOM 0 HB2 PRO A 111 -5.252 -0.161 23.248 1.00 20.43 H new ATOM 0 HB3 PRO A 111 -5.819 1.492 23.119 1.00 20.43 H new ATOM 0 HG2 PRO A 111 -7.408 -1.022 23.597 1.00 64.33 H new ATOM 0 HG3 PRO A 111 -7.566 0.543 24.370 1.00 64.33 H new ATOM 0 HD2 PRO A 111 -9.243 -0.238 22.372 1.00 74.05 H new ATOM 0 HD3 PRO A 111 -8.807 1.445 22.596 1.00 74.05 H new ATOM 1694 N VAL A 112 -4.409 -1.111 20.513 1.00 25.25 N ATOM 1695 CA VAL A 112 -3.784 -2.353 20.072 1.00 2.44 C ATOM 1696 C VAL A 112 -2.515 -2.641 20.866 1.00 24.31 C ATOM 1697 O VAL A 112 -1.530 -1.908 20.771 1.00 72.13 O ATOM 1698 CB VAL A 112 -3.438 -2.305 18.572 1.00 13.12 C ATOM 1699 CG1 VAL A 112 -2.987 -3.673 18.084 1.00 21.13 C ATOM 1700 CG2 VAL A 112 -4.630 -1.809 17.767 1.00 61.10 C ATOM 0 H VAL A 112 -3.793 -0.298 20.492 1.00 25.25 H new ATOM 0 HA VAL A 112 -4.507 -3.150 20.245 1.00 2.44 H new ATOM 0 HB VAL A 112 -2.615 -1.605 18.429 1.00 13.12 H new ATOM 0 HG11 VAL A 112 -2.747 -3.620 17.022 1.00 21.13 H new ATOM 0 HG12 VAL A 112 -2.103 -3.985 18.641 1.00 21.13 H new ATOM 0 HG13 VAL A 112 -3.787 -4.397 18.239 1.00 21.13 H new ATOM 0 HG21 VAL A 112 -4.368 -1.781 16.709 1.00 61.10 H new ATOM 0 HG22 VAL A 112 -5.474 -2.483 17.914 1.00 61.10 H new ATOM 0 HG23 VAL A 112 -4.902 -0.807 18.100 1.00 61.10 H new ATOM 1710 N ASP A 113 -2.544 -3.714 21.649 1.00 73.21 N ATOM 1711 CA ASP A 113 -1.395 -4.102 22.459 1.00 51.32 C ATOM 1712 C ASP A 113 -0.619 -5.234 21.794 1.00 61.30 C ATOM 1713 O ASP A 113 -1.207 -6.171 21.252 1.00 11.03 O ATOM 1714 CB ASP A 113 -1.849 -4.529 23.855 1.00 34.23 C ATOM 1715 CG ASP A 113 -2.556 -5.871 23.849 1.00 41.40 C ATOM 1716 OD1 ASP A 113 -3.780 -5.896 23.603 1.00 52.41 O ATOM 1717 OD2 ASP A 113 -1.884 -6.895 24.089 1.00 34.52 O ATOM 0 H ASP A 113 -3.351 -4.331 21.740 1.00 73.21 H new ATOM 0 HA ASP A 113 -0.736 -3.238 22.549 1.00 51.32 H new ATOM 0 HB2 ASP A 113 -0.983 -4.581 24.515 1.00 34.23 H new ATOM 0 HB3 ASP A 113 -2.517 -3.771 24.264 1.00 34.23 H new ATOM 1722 N THR A 114 0.707 -5.142 21.838 1.00 54.13 N ATOM 1723 CA THR A 114 1.564 -6.157 21.238 1.00 53.31 C ATOM 1724 C THR A 114 2.831 -6.362 22.060 1.00 34.32 C ATOM 1725 O THR A 114 3.521 -5.403 22.402 1.00 23.23 O ATOM 1726 CB THR A 114 1.956 -5.780 19.797 1.00 62.23 C ATOM 1727 OG1 THR A 114 1.289 -4.575 19.406 1.00 3.44 O ATOM 1728 CG2 THR A 114 1.600 -6.899 18.829 1.00 1.32 C ATOM 0 H THR A 114 1.210 -4.375 22.283 1.00 54.13 H new ATOM 0 HA THR A 114 0.992 -7.084 21.220 1.00 53.31 H new ATOM 0 HB THR A 114 3.034 -5.624 19.767 1.00 62.23 H new ATOM 0 HG1 THR A 114 1.951 -3.868 19.259 1.00 3.44 H new ATOM 0 HG21 THR A 114 1.886 -6.610 17.818 1.00 1.32 H new ATOM 0 HG22 THR A 114 2.132 -7.807 19.111 1.00 1.32 H new ATOM 0 HG23 THR A 114 0.526 -7.082 18.864 1.00 1.32 H new ATOM 1736 N GLU A 115 3.130 -7.619 22.373 1.00 31.15 N ATOM 1737 CA GLU A 115 4.315 -7.949 23.156 1.00 30.14 C ATOM 1738 C GLU A 115 5.403 -8.548 22.270 1.00 44.40 C ATOM 1739 O GLU A 115 5.122 -9.340 21.371 1.00 35.53 O ATOM 1740 CB GLU A 115 3.957 -8.929 24.276 1.00 64.12 C ATOM 1741 CG GLU A 115 3.198 -8.289 25.425 1.00 34.14 C ATOM 1742 CD GLU A 115 1.734 -8.059 25.101 1.00 21.55 C ATOM 1743 OE1 GLU A 115 1.420 -7.021 24.483 1.00 60.03 O ATOM 1744 OE2 GLU A 115 0.903 -8.917 25.467 1.00 64.24 O ATOM 0 H GLU A 115 2.569 -8.425 22.097 1.00 31.15 H new ATOM 0 HA GLU A 115 4.696 -7.028 23.597 1.00 30.14 H new ATOM 0 HB2 GLU A 115 3.356 -9.738 23.861 1.00 64.12 H new ATOM 0 HB3 GLU A 115 4.873 -9.377 24.662 1.00 64.12 H new ATOM 0 HG2 GLU A 115 3.276 -8.926 26.306 1.00 34.14 H new ATOM 0 HG3 GLU A 115 3.664 -7.337 25.678 1.00 34.14 H new ATOM 1751 N PHE A 116 6.648 -8.162 22.529 1.00 3.54 N ATOM 1752 CA PHE A 116 7.780 -8.658 21.755 1.00 52.21 C ATOM 1753 C PHE A 116 8.831 -9.283 22.667 1.00 31.23 C ATOM 1754 O PHE A 116 9.307 -8.649 23.609 1.00 21.32 O ATOM 1755 CB PHE A 116 8.405 -7.523 20.941 1.00 72.02 C ATOM 1756 CG PHE A 116 7.440 -6.856 20.003 1.00 13.00 C ATOM 1757 CD1 PHE A 116 6.812 -7.581 19.003 1.00 50.32 C ATOM 1758 CD2 PHE A 116 7.161 -5.504 20.121 1.00 14.14 C ATOM 1759 CE1 PHE A 116 5.923 -6.970 18.138 1.00 30.03 C ATOM 1760 CE2 PHE A 116 6.272 -4.888 19.260 1.00 23.02 C ATOM 1761 CZ PHE A 116 5.654 -5.622 18.267 1.00 53.43 C ATOM 0 H PHE A 116 6.899 -7.507 23.269 1.00 3.54 H new ATOM 0 HA PHE A 116 7.413 -9.426 21.074 1.00 52.21 H new ATOM 0 HB2 PHE A 116 8.810 -6.777 21.625 1.00 72.02 H new ATOM 0 HB3 PHE A 116 9.244 -7.917 20.367 1.00 72.02 H new ATOM 0 HD1 PHE A 116 7.019 -8.636 18.898 1.00 50.32 H new ATOM 0 HD2 PHE A 116 7.644 -4.925 20.894 1.00 14.14 H new ATOM 0 HE1 PHE A 116 5.440 -7.546 17.363 1.00 30.03 H new ATOM 0 HE2 PHE A 116 6.061 -3.834 19.364 1.00 23.02 H new ATOM 0 HZ PHE A 116 4.961 -5.142 17.592 1.00 53.43 H new ATOM 1771 N ASP A 117 9.187 -10.530 22.381 1.00 63.40 N ATOM 1772 CA ASP A 117 10.182 -11.243 23.174 1.00 2.44 C ATOM 1773 C ASP A 117 11.589 -10.973 22.650 1.00 24.34 C ATOM 1774 O ASP A 117 11.911 -11.305 21.509 1.00 21.21 O ATOM 1775 CB ASP A 117 9.898 -12.745 23.159 1.00 73.32 C ATOM 1776 CG ASP A 117 8.832 -13.143 24.161 1.00 20.20 C ATOM 1777 OD1 ASP A 117 7.902 -12.341 24.388 1.00 63.24 O ATOM 1778 OD2 ASP A 117 8.928 -14.256 24.720 1.00 63.35 O ATOM 0 H ASP A 117 8.801 -11.069 21.605 1.00 63.40 H new ATOM 0 HA ASP A 117 10.120 -10.881 24.200 1.00 2.44 H new ATOM 0 HB2 ASP A 117 9.582 -13.042 22.159 1.00 73.32 H new ATOM 0 HB3 ASP A 117 10.818 -13.288 23.377 1.00 73.32 H new ATOM 1783 N ILE A 118 12.423 -10.369 23.491 1.00 74.41 N ATOM 1784 CA ILE A 118 13.795 -10.056 23.112 1.00 13.21 C ATOM 1785 C ILE A 118 14.775 -11.049 23.726 1.00 63.43 C ATOM 1786 O ILE A 118 14.767 -11.279 24.935 1.00 24.42 O ATOM 1787 CB ILE A 118 14.187 -8.631 23.545 1.00 14.24 C ATOM 1788 CG1 ILE A 118 13.039 -7.657 23.270 1.00 1.21 C ATOM 1789 CG2 ILE A 118 15.450 -8.187 22.824 1.00 43.51 C ATOM 1790 CD1 ILE A 118 12.655 -7.573 21.810 1.00 74.45 C ATOM 0 H ILE A 118 12.172 -10.087 24.439 1.00 74.41 H new ATOM 0 HA ILE A 118 13.846 -10.124 22.025 1.00 13.21 H new ATOM 0 HB ILE A 118 14.386 -8.635 24.617 1.00 14.24 H new ATOM 0 HG12 ILE A 118 12.168 -7.962 23.850 1.00 1.21 H new ATOM 0 HG13 ILE A 118 13.323 -6.665 23.620 1.00 1.21 H new ATOM 0 HG21 ILE A 118 15.714 -7.178 23.141 1.00 43.51 H new ATOM 0 HG22 ILE A 118 16.266 -8.868 23.066 1.00 43.51 H new ATOM 0 HG23 ILE A 118 15.277 -8.196 21.748 1.00 43.51 H new ATOM 0 HD11 ILE A 118 11.836 -6.864 21.689 1.00 74.45 H new ATOM 0 HD12 ILE A 118 13.513 -7.238 21.227 1.00 74.45 H new ATOM 0 HD13 ILE A 118 12.339 -8.556 21.460 1.00 74.45 H new ATOM 1802 N PHE A 119 15.621 -11.635 22.884 1.00 55.22 N ATOM 1803 CA PHE A 119 16.609 -12.604 23.343 1.00 10.41 C ATOM 1804 C PHE A 119 17.808 -12.646 22.400 1.00 10.13 C ATOM 1805 O PHE A 119 18.457 -13.680 22.249 1.00 34.31 O ATOM 1806 CB PHE A 119 15.980 -13.994 23.449 1.00 21.42 C ATOM 1807 CG PHE A 119 14.981 -14.285 22.366 1.00 50.20 C ATOM 1808 CD1 PHE A 119 15.315 -14.110 21.033 1.00 72.14 C ATOM 1809 CD2 PHE A 119 13.708 -14.733 22.681 1.00 64.11 C ATOM 1810 CE1 PHE A 119 14.397 -14.376 20.034 1.00 50.20 C ATOM 1811 CE2 PHE A 119 12.786 -15.001 21.687 1.00 45.05 C ATOM 1812 CZ PHE A 119 13.132 -14.823 20.361 1.00 12.02 C ATOM 0 H PHE A 119 15.642 -11.455 21.880 1.00 55.22 H new ATOM 0 HA PHE A 119 16.955 -12.294 24.329 1.00 10.41 H new ATOM 0 HB2 PHE A 119 16.770 -14.745 23.415 1.00 21.42 H new ATOM 0 HB3 PHE A 119 15.491 -14.090 24.418 1.00 21.42 H new ATOM 0 HD1 PHE A 119 16.303 -13.762 20.771 1.00 72.14 H new ATOM 0 HD2 PHE A 119 13.433 -14.874 23.716 1.00 64.11 H new ATOM 0 HE1 PHE A 119 14.669 -14.234 18.998 1.00 50.20 H new ATOM 0 HE2 PHE A 119 11.797 -15.349 21.946 1.00 45.05 H new ATOM 0 HZ PHE A 119 12.414 -15.033 19.582 1.00 12.02 H new ATOM 1822 N GLY A 120 18.096 -11.513 21.767 1.00 10.42 N ATOM 1823 CA GLY A 120 19.215 -11.441 20.846 1.00 4.04 C ATOM 1824 C GLY A 120 18.801 -11.687 19.409 1.00 14.33 C ATOM 1825 O GLY A 120 18.498 -12.817 19.028 1.00 3.42 O ATOM 0 H GLY A 120 17.574 -10.643 21.876 1.00 10.42 H new ATOM 0 HA2 GLY A 120 19.682 -10.459 20.923 1.00 4.04 H new ATOM 0 HA3 GLY A 120 19.967 -12.175 21.135 1.00 4.04 H new ATOM 1829 N ASN A 121 18.784 -10.625 18.610 1.00 64.01 N ATOM 1830 CA ASN A 121 18.401 -10.731 17.207 1.00 41.43 C ATOM 1831 C ASN A 121 18.464 -9.369 16.522 1.00 51.23 C ATOM 1832 O ASN A 121 18.842 -9.266 15.356 1.00 43.43 O ATOM 1833 CB ASN A 121 16.991 -11.311 17.084 1.00 32.10 C ATOM 1834 CG ASN A 121 16.891 -12.363 15.997 1.00 64.44 C ATOM 1835 OD1 ASN A 121 17.113 -13.549 16.243 1.00 63.14 O ATOM 1836 ND2 ASN A 121 16.557 -11.933 14.786 1.00 55.12 N ATOM 0 H ASN A 121 19.031 -9.682 18.910 1.00 64.01 H new ATOM 0 HA ASN A 121 19.106 -11.400 16.713 1.00 41.43 H new ATOM 0 HB2 ASN A 121 16.697 -11.749 18.038 1.00 32.10 H new ATOM 0 HB3 ASN A 121 16.287 -10.506 16.872 1.00 32.10 H new ATOM 0 HD21 ASN A 121 16.475 -12.595 14.014 1.00 55.12 H new ATOM 0 HD22 ASN A 121 16.382 -10.941 14.627 1.00 55.12 H new ATOM 1843 N GLY A 122 18.090 -8.325 17.256 1.00 23.10 N ATOM 1844 CA GLY A 122 18.112 -6.983 16.703 1.00 31.43 C ATOM 1845 C GLY A 122 16.748 -6.534 16.218 1.00 71.42 C ATOM 1846 O GLY A 122 16.099 -5.700 16.849 1.00 13.13 O ATOM 0 H GLY A 122 17.772 -8.385 18.223 1.00 23.10 H new ATOM 0 HA2 GLY A 122 18.472 -6.287 17.461 1.00 31.43 H new ATOM 0 HA3 GLY A 122 18.819 -6.946 15.874 1.00 31.43 H new ATOM 1850 N THR A 123 16.311 -7.088 15.091 1.00 50.45 N ATOM 1851 CA THR A 123 15.017 -6.737 14.519 1.00 70.42 C ATOM 1852 C THR A 123 13.938 -7.722 14.956 1.00 42.31 C ATOM 1853 O THR A 123 14.151 -8.934 14.948 1.00 75.43 O ATOM 1854 CB THR A 123 15.073 -6.705 12.980 1.00 40.22 C ATOM 1855 OG1 THR A 123 16.430 -6.575 12.542 1.00 61.43 O ATOM 1856 CG2 THR A 123 14.246 -5.551 12.433 1.00 70.25 C ATOM 0 H THR A 123 16.834 -7.781 14.557 1.00 50.45 H new ATOM 0 HA THR A 123 14.768 -5.742 14.887 1.00 70.42 H new ATOM 0 HB THR A 123 14.658 -7.640 12.603 1.00 40.22 H new ATOM 0 HG1 THR A 123 16.457 -6.557 11.563 1.00 61.43 H new ATOM 0 HG21 THR A 123 14.300 -5.548 11.344 1.00 70.25 H new ATOM 0 HG22 THR A 123 13.208 -5.668 12.744 1.00 70.25 H new ATOM 0 HG23 THR A 123 14.636 -4.609 12.818 1.00 70.25 H new ATOM 1864 N TYR A 124 12.781 -7.193 15.337 1.00 53.24 N ATOM 1865 CA TYR A 124 11.669 -8.026 15.779 1.00 54.51 C ATOM 1866 C TYR A 124 10.345 -7.506 15.226 1.00 1.40 C ATOM 1867 O TYR A 124 10.174 -6.303 15.021 1.00 35.54 O ATOM 1868 CB TYR A 124 11.613 -8.070 17.307 1.00 45.11 C ATOM 1869 CG TYR A 124 12.862 -8.639 17.942 1.00 62.25 C ATOM 1870 CD1 TYR A 124 14.024 -7.883 18.036 1.00 31.04 C ATOM 1871 CD2 TYR A 124 12.880 -9.933 18.447 1.00 31.33 C ATOM 1872 CE1 TYR A 124 15.167 -8.400 18.615 1.00 41.53 C ATOM 1873 CE2 TYR A 124 14.018 -10.458 19.029 1.00 42.53 C ATOM 1874 CZ TYR A 124 15.159 -9.687 19.110 1.00 43.05 C ATOM 1875 OH TYR A 124 16.296 -10.205 19.688 1.00 53.43 O ATOM 0 H TYR A 124 12.589 -6.191 15.349 1.00 53.24 H new ATOM 0 HA TYR A 124 11.831 -9.035 15.398 1.00 54.51 H new ATOM 0 HB2 TYR A 124 11.450 -7.061 17.686 1.00 45.11 H new ATOM 0 HB3 TYR A 124 10.755 -8.668 17.614 1.00 45.11 H new ATOM 0 HD1 TYR A 124 14.034 -6.874 17.650 1.00 31.04 H new ATOM 0 HD2 TYR A 124 11.989 -10.540 18.384 1.00 31.33 H new ATOM 0 HE1 TYR A 124 16.062 -7.799 18.680 1.00 41.53 H new ATOM 0 HE2 TYR A 124 14.014 -11.466 19.418 1.00 42.53 H new ATOM 0 HH TYR A 124 16.552 -9.655 20.458 1.00 53.43 H new ATOM 1885 N HIS A 125 9.411 -8.421 14.987 1.00 50.43 N ATOM 1886 CA HIS A 125 8.101 -8.056 14.459 1.00 42.04 C ATOM 1887 C HIS A 125 7.019 -8.983 15.003 1.00 15.22 C ATOM 1888 O HIS A 125 7.275 -10.131 15.366 1.00 2.15 O ATOM 1889 CB HIS A 125 8.112 -8.107 12.931 1.00 74.55 C ATOM 1890 CG HIS A 125 8.723 -6.897 12.295 1.00 71.14 C ATOM 1891 ND1 HIS A 125 7.976 -5.883 11.733 1.00 34.23 N ATOM 1892 CD2 HIS A 125 10.019 -6.540 12.134 1.00 33.24 C ATOM 1893 CE1 HIS A 125 8.785 -4.956 11.254 1.00 42.01 C ATOM 1894 NE2 HIS A 125 10.031 -5.330 11.485 1.00 74.41 N ATOM 0 H HIS A 125 9.537 -9.420 15.150 1.00 50.43 H new ATOM 0 HA HIS A 125 7.878 -7.038 14.780 1.00 42.04 H new ATOM 0 HB2 HIS A 125 8.661 -8.992 12.609 1.00 74.55 H new ATOM 0 HB3 HIS A 125 7.089 -8.218 12.572 1.00 74.55 H new ATOM 0 HD2 HIS A 125 10.883 -7.102 12.456 1.00 33.24 H new ATOM 0 HE1 HIS A 125 8.480 -4.047 10.758 1.00 42.01 H new ATOM 0 HE2 HIS A 125 10.866 -4.805 11.224 1.00 74.41 H new ATOM 1902 N PRO A 126 5.779 -8.475 15.063 1.00 53.41 N ATOM 1903 CA PRO A 126 4.633 -9.240 15.562 1.00 35.22 C ATOM 1904 C PRO A 126 4.231 -10.366 14.616 1.00 60.42 C ATOM 1905 O PRO A 126 4.329 -10.229 13.397 1.00 44.22 O ATOM 1906 CB PRO A 126 3.519 -8.194 15.651 1.00 12.22 C ATOM 1907 CG PRO A 126 3.897 -7.152 14.655 1.00 31.52 C ATOM 1908 CD PRO A 126 5.400 -7.114 14.647 1.00 41.21 C ATOM 0 HA PRO A 126 4.853 -9.730 16.510 1.00 35.22 H new ATOM 0 HB2 PRO A 126 2.547 -8.630 15.419 1.00 12.22 H new ATOM 0 HB3 PRO A 126 3.449 -7.775 16.655 1.00 12.22 H new ATOM 0 HG2 PRO A 126 3.507 -7.397 13.667 1.00 31.52 H new ATOM 0 HG3 PRO A 126 3.483 -6.182 14.929 1.00 31.52 H new ATOM 0 HD2 PRO A 126 5.790 -6.873 13.658 1.00 41.21 H new ATOM 0 HD3 PRO A 126 5.786 -6.362 15.335 1.00 41.21 H new ATOM 1916 N GLN A 127 3.778 -11.479 15.185 1.00 3.44 N ATOM 1917 CA GLN A 127 3.362 -12.628 14.391 1.00 63.41 C ATOM 1918 C GLN A 127 1.854 -12.834 14.479 1.00 33.14 C ATOM 1919 O GLN A 127 1.381 -13.939 14.749 1.00 62.04 O ATOM 1920 CB GLN A 127 4.089 -13.890 14.861 1.00 44.52 C ATOM 1921 CG GLN A 127 5.594 -13.837 14.652 1.00 23.45 C ATOM 1922 CD GLN A 127 6.240 -15.207 14.719 1.00 64.21 C ATOM 1923 OE1 GLN A 127 6.708 -15.735 13.710 1.00 61.33 O ATOM 1924 NE2 GLN A 127 6.270 -15.791 15.911 1.00 10.13 N ATOM 0 H GLN A 127 3.690 -11.609 16.193 1.00 3.44 H new ATOM 0 HA GLN A 127 3.623 -12.432 13.351 1.00 63.41 H new ATOM 0 HB2 GLN A 127 3.883 -14.045 15.920 1.00 44.52 H new ATOM 0 HB3 GLN A 127 3.686 -14.751 14.328 1.00 44.52 H new ATOM 0 HG2 GLN A 127 5.807 -13.386 13.683 1.00 23.45 H new ATOM 0 HG3 GLN A 127 6.040 -13.192 15.409 1.00 23.45 H new ATOM 0 HE21 GLN A 127 5.870 -15.317 16.721 1.00 10.13 H new ATOM 0 HE22 GLN A 127 6.693 -16.713 16.017 1.00 10.13 H new ATOM 1933 N THR A 128 1.101 -11.762 14.252 1.00 72.34 N ATOM 1934 CA THR A 128 -0.354 -11.825 14.307 1.00 12.41 C ATOM 1935 C THR A 128 -0.912 -12.672 13.170 1.00 71.44 C ATOM 1936 O THR A 128 -2.108 -12.631 12.879 1.00 0.33 O ATOM 1937 CB THR A 128 -0.980 -10.419 14.239 1.00 43.43 C ATOM 1938 OG1 THR A 128 0.045 -9.435 14.054 1.00 75.21 O ATOM 1939 CG2 THR A 128 -1.761 -10.112 15.507 1.00 14.22 C ATOM 0 H THR A 128 1.475 -10.840 14.028 1.00 72.34 H new ATOM 0 HA THR A 128 -0.614 -12.285 15.260 1.00 12.41 H new ATOM 0 HB THR A 128 -1.667 -10.392 13.393 1.00 43.43 H new ATOM 0 HG1 THR A 128 0.557 -9.336 14.884 1.00 75.21 H new ATOM 0 HG21 THR A 128 -2.194 -9.114 15.435 1.00 14.22 H new ATOM 0 HG22 THR A 128 -2.558 -10.845 15.630 1.00 14.22 H new ATOM 0 HG23 THR A 128 -1.092 -10.156 16.366 1.00 14.22 H new TER 1947 THR A 128