USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 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 98 THR OG1 : rot 140:sc= 0.171 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.125 X(o=0.3,f=0.061) USER MOD Set 2.1: A 5 GLN : amide:sc= 0 X(o=-0.58,f=-0.47) USER MOD Set 2.2: A 7 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.13) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.127 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 86:sc= 0.113 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= 1.16 (180deg=0.776) USER MOD Single : A 15 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.53) USER MOD Single : A 23 ASN : amide:sc= 1.09 X(o=1.1,f=1.2) USER MOD Single : A 26 ASN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc=-0.00944 (180deg=-0.152) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.15) USER MOD Single : A 34 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= 0.175 (180deg=-1.86!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.159 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.028) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -126:sc= 0.178 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00851 USER MOD Single : A 73 SER OG : rot -69:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 80 GLN : amide:sc= -0.0203 K(o=-0.02,f=-2.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.16) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.0881 K(o=-0.088,f=-1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 42:sc= 0.0621 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.654) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.803 -6.894 11.717 1.00 13.03 N ATOM 2 CA GLY A 1 30.007 -5.934 10.625 1.00 41.23 C ATOM 3 C GLY A 1 28.875 -4.928 10.650 1.00 30.51 C ATOM 4 O GLY A 1 28.400 -4.621 11.742 1.00 44.24 O ATOM 0 H1 GLY A 1 30.725 -7.179 12.105 1.00 13.03 H new ATOM 0 H2 GLY A 1 29.233 -6.452 12.466 1.00 13.03 H new ATOM 0 H3 GLY A 1 29.306 -7.732 11.354 1.00 13.03 H new ATOM 0 HA2 GLY A 1 30.966 -5.428 10.740 1.00 41.23 H new ATOM 0 HA3 GLY A 1 30.033 -6.451 9.666 1.00 41.23 H new ATOM 8 N SER A 2 28.458 -4.412 9.496 1.00 70.03 N ATOM 9 CA SER A 2 27.369 -3.448 9.394 1.00 32.21 C ATOM 10 C SER A 2 26.154 -4.128 8.752 1.00 64.11 C ATOM 11 O SER A 2 26.289 -5.148 8.069 1.00 51.33 O ATOM 12 CB SER A 2 27.850 -2.201 8.634 1.00 30.14 C ATOM 13 OG SER A 2 28.642 -2.515 7.503 1.00 75.42 O ATOM 0 H SER A 2 28.873 -4.655 8.596 1.00 70.03 H new ATOM 0 HA SER A 2 27.056 -3.105 10.380 1.00 32.21 H new ATOM 0 HB2 SER A 2 26.985 -1.620 8.315 1.00 30.14 H new ATOM 0 HB3 SER A 2 28.426 -1.569 9.310 1.00 30.14 H new ATOM 0 HG SER A 2 28.919 -1.687 7.057 1.00 75.42 H new ATOM 19 N ASN A 3 24.960 -3.577 8.981 1.00 33.44 N ATOM 20 CA ASN A 3 23.703 -4.098 8.438 1.00 32.32 C ATOM 21 C ASN A 3 23.727 -3.873 6.932 1.00 50.14 C ATOM 22 O ASN A 3 23.663 -2.718 6.501 1.00 40.34 O ATOM 23 CB ASN A 3 22.487 -3.425 9.099 1.00 42.33 C ATOM 24 CG ASN A 3 22.183 -4.010 10.468 1.00 54.23 C ATOM 25 OD1 ASN A 3 23.083 -4.475 11.165 1.00 62.03 O ATOM 26 ND2 ASN A 3 20.941 -3.969 10.906 1.00 3.43 N ATOM 0 H ASN A 3 24.837 -2.744 9.557 1.00 33.44 H new ATOM 0 HA ASN A 3 23.608 -5.163 8.652 1.00 32.32 H new ATOM 0 HB2 ASN A 3 22.673 -2.355 9.196 1.00 42.33 H new ATOM 0 HB3 ASN A 3 21.615 -3.540 8.455 1.00 42.33 H new ATOM 0 HD21 ASN A 3 20.716 -4.326 11.835 1.00 3.43 H new ATOM 0 HD22 ASN A 3 20.205 -3.580 10.317 1.00 3.43 H new ATOM 33 N GLN A 4 23.823 -4.963 6.169 1.00 63.14 N ATOM 34 CA GLN A 4 23.899 -5.018 4.709 1.00 73.11 C ATOM 35 C GLN A 4 23.089 -6.197 4.128 1.00 72.25 C ATOM 36 O GLN A 4 23.177 -6.495 2.937 1.00 22.15 O ATOM 37 CB GLN A 4 25.402 -5.156 4.410 1.00 73.50 C ATOM 38 CG GLN A 4 25.863 -4.936 2.965 1.00 64.31 C ATOM 39 CD GLN A 4 27.388 -4.967 2.920 1.00 12.34 C ATOM 40 OE1 GLN A 4 28.007 -6.014 2.730 1.00 40.01 O ATOM 41 NE2 GLN A 4 28.041 -3.854 3.203 1.00 52.11 N ATOM 0 H GLN A 4 23.852 -5.894 6.584 1.00 63.14 H new ATOM 0 HA GLN A 4 23.465 -4.132 4.245 1.00 73.11 H new ATOM 0 HB2 GLN A 4 25.937 -4.449 5.044 1.00 73.50 H new ATOM 0 HB3 GLN A 4 25.714 -6.155 4.713 1.00 73.50 H new ATOM 0 HG2 GLN A 4 25.451 -5.709 2.317 1.00 64.31 H new ATOM 0 HG3 GLN A 4 25.495 -3.980 2.594 1.00 64.31 H new ATOM 0 HE21 GLN A 4 27.527 -2.987 3.360 1.00 52.11 H new ATOM 0 HE22 GLN A 4 29.059 -3.862 3.264 1.00 52.11 H new ATOM 50 N GLN A 5 22.361 -6.933 4.967 1.00 21.21 N ATOM 51 CA GLN A 5 21.546 -8.080 4.579 1.00 33.41 C ATOM 52 C GLN A 5 20.362 -7.611 3.721 1.00 32.12 C ATOM 53 O GLN A 5 19.877 -6.494 3.900 1.00 70.21 O ATOM 54 CB GLN A 5 21.068 -8.761 5.876 1.00 34.32 C ATOM 55 CG GLN A 5 20.640 -10.225 5.700 1.00 52.10 C ATOM 56 CD GLN A 5 20.326 -10.919 7.027 1.00 5.54 C ATOM 57 OE1 GLN A 5 19.962 -10.294 8.013 1.00 74.42 O ATOM 58 NE2 GLN A 5 20.452 -12.236 7.091 1.00 54.43 N ATOM 0 H GLN A 5 22.322 -6.740 5.968 1.00 21.21 H new ATOM 0 HA GLN A 5 22.117 -8.789 3.980 1.00 33.41 H new ATOM 0 HB2 GLN A 5 21.869 -8.715 6.613 1.00 34.32 H new ATOM 0 HB3 GLN A 5 20.229 -8.196 6.282 1.00 34.32 H new ATOM 0 HG2 GLN A 5 19.760 -10.266 5.058 1.00 52.10 H new ATOM 0 HG3 GLN A 5 21.433 -10.771 5.189 1.00 52.10 H new ATOM 0 HE21 GLN A 5 20.755 -12.760 6.270 1.00 54.43 H new ATOM 0 HE22 GLN A 5 20.246 -12.726 7.961 1.00 54.43 H new ATOM 67 N LEU A 6 19.820 -8.467 2.850 1.00 23.01 N ATOM 68 CA LEU A 6 18.679 -8.105 2.000 1.00 41.33 C ATOM 69 C LEU A 6 17.338 -8.403 2.685 1.00 53.33 C ATOM 70 O LEU A 6 16.281 -8.146 2.111 1.00 71.14 O ATOM 71 CB LEU A 6 18.766 -8.775 0.613 1.00 54.11 C ATOM 72 CG LEU A 6 19.899 -8.196 -0.265 1.00 21.51 C ATOM 73 CD1 LEU A 6 21.160 -9.062 -0.185 1.00 31.20 C ATOM 74 CD2 LEU A 6 19.467 -8.088 -1.732 1.00 63.13 C ATOM 0 H LEU A 6 20.154 -9.421 2.714 1.00 23.01 H new ATOM 0 HA LEU A 6 18.728 -7.027 1.845 1.00 41.33 H new ATOM 0 HB2 LEU A 6 18.924 -9.846 0.742 1.00 54.11 H new ATOM 0 HB3 LEU A 6 17.814 -8.653 0.096 1.00 54.11 H new ATOM 0 HG LEU A 6 20.118 -7.200 0.121 1.00 21.51 H new ATOM 0 HD11 LEU A 6 21.939 -8.629 -0.813 1.00 31.20 H new ATOM 0 HD12 LEU A 6 21.508 -9.104 0.847 1.00 31.20 H new ATOM 0 HD13 LEU A 6 20.932 -10.070 -0.532 1.00 31.20 H new ATOM 0 HD21 LEU A 6 20.286 -7.678 -2.323 1.00 63.13 H new ATOM 0 HD22 LEU A 6 19.208 -9.077 -2.109 1.00 63.13 H new ATOM 0 HD23 LEU A 6 18.600 -7.432 -1.809 1.00 63.13 H new ATOM 86 N ASN A 7 17.343 -8.960 3.899 1.00 53.02 N ATOM 87 CA ASN A 7 16.121 -9.283 4.642 1.00 24.33 C ATOM 88 C ASN A 7 15.467 -8.044 5.265 1.00 60.23 C ATOM 89 O ASN A 7 15.937 -6.927 5.052 1.00 13.11 O ATOM 90 CB ASN A 7 16.423 -10.344 5.719 1.00 31.44 C ATOM 91 CG ASN A 7 16.821 -9.851 7.118 1.00 2.52 C ATOM 92 OD1 ASN A 7 16.490 -10.512 8.098 1.00 72.34 O ATOM 93 ND2 ASN A 7 17.526 -8.744 7.284 1.00 53.05 N ATOM 0 H ASN A 7 18.200 -9.201 4.397 1.00 53.02 H new ATOM 0 HA ASN A 7 15.403 -9.688 3.929 1.00 24.33 H new ATOM 0 HB2 ASN A 7 15.540 -10.975 5.825 1.00 31.44 H new ATOM 0 HB3 ASN A 7 17.226 -10.980 5.347 1.00 31.44 H new ATOM 0 HD21 ASN A 7 17.791 -8.444 8.222 1.00 53.05 H new ATOM 0 HD22 ASN A 7 17.804 -8.190 6.474 1.00 53.05 H new ATOM 100 N ALA A 8 14.371 -8.238 5.998 1.00 64.44 N ATOM 101 CA ALA A 8 13.629 -7.214 6.726 1.00 44.31 C ATOM 102 C ALA A 8 13.065 -7.950 7.948 1.00 55.14 C ATOM 103 O ALA A 8 13.833 -8.616 8.641 1.00 52.12 O ATOM 104 CB ALA A 8 12.576 -6.519 5.855 1.00 23.54 C ATOM 0 H ALA A 8 13.956 -9.164 6.104 1.00 64.44 H new ATOM 0 HA ALA A 8 14.256 -6.378 7.036 1.00 44.31 H new ATOM 0 HB1 ALA A 8 12.054 -5.767 6.446 1.00 23.54 H new ATOM 0 HB2 ALA A 8 13.064 -6.039 5.007 1.00 23.54 H new ATOM 0 HB3 ALA A 8 11.860 -7.256 5.492 1.00 23.54 H new ATOM 110 N THR A 9 11.754 -7.912 8.193 1.00 51.32 N ATOM 111 CA THR A 9 11.138 -8.602 9.322 1.00 23.42 C ATOM 112 C THR A 9 10.971 -10.093 8.960 1.00 25.11 C ATOM 113 O THR A 9 11.904 -10.875 9.159 1.00 30.41 O ATOM 114 CB THR A 9 9.855 -7.855 9.731 1.00 64.41 C ATOM 115 OG1 THR A 9 10.191 -6.495 9.932 1.00 31.44 O ATOM 116 CG2 THR A 9 9.244 -8.385 11.030 1.00 53.42 C ATOM 0 H THR A 9 11.090 -7.400 7.612 1.00 51.32 H new ATOM 0 HA THR A 9 11.763 -8.592 10.215 1.00 23.42 H new ATOM 0 HB THR A 9 9.121 -7.997 8.938 1.00 64.41 H new ATOM 0 HG1 THR A 9 10.153 -6.019 9.076 1.00 31.44 H new ATOM 0 HG21 THR A 9 8.343 -7.819 11.266 1.00 53.42 H new ATOM 0 HG22 THR A 9 8.990 -9.438 10.909 1.00 53.42 H new ATOM 0 HG23 THR A 9 9.964 -8.276 11.841 1.00 53.42 H new ATOM 124 N LYS A 10 9.818 -10.524 8.433 1.00 33.54 N ATOM 125 CA LYS A 10 9.523 -11.908 8.038 1.00 1.15 C ATOM 126 C LYS A 10 8.302 -11.864 7.122 1.00 11.34 C ATOM 127 O LYS A 10 7.473 -10.977 7.324 1.00 61.43 O ATOM 128 CB LYS A 10 9.292 -12.745 9.306 1.00 42.02 C ATOM 129 CG LYS A 10 9.038 -14.236 9.047 1.00 12.02 C ATOM 130 CD LYS A 10 9.155 -14.972 10.382 1.00 21.23 C ATOM 131 CE LYS A 10 9.183 -16.492 10.232 1.00 45.34 C ATOM 132 NZ LYS A 10 9.643 -17.110 11.490 1.00 54.21 N ATOM 0 H LYS A 10 9.034 -9.894 8.263 1.00 33.54 H new ATOM 0 HA LYS A 10 10.345 -12.376 7.496 1.00 1.15 H new ATOM 0 HB2 LYS A 10 10.162 -12.645 9.955 1.00 42.02 H new ATOM 0 HB3 LYS A 10 8.441 -12.333 9.848 1.00 42.02 H new ATOM 0 HG2 LYS A 10 8.048 -14.385 8.615 1.00 12.02 H new ATOM 0 HG3 LYS A 10 9.761 -14.627 8.331 1.00 12.02 H new ATOM 0 HD2 LYS A 10 10.063 -14.647 10.890 1.00 21.23 H new ATOM 0 HD3 LYS A 10 8.316 -14.692 11.019 1.00 21.23 H new ATOM 0 HE2 LYS A 10 8.189 -16.860 9.978 1.00 45.34 H new ATOM 0 HE3 LYS A 10 9.846 -16.774 9.414 1.00 45.34 H new ATOM 0 HZ1 LYS A 10 9.660 -18.144 11.383 1.00 54.21 H new ATOM 0 HZ2 LYS A 10 10.600 -16.769 11.715 1.00 54.21 H new ATOM 0 HZ3 LYS A 10 8.994 -16.853 12.261 1.00 54.21 H new ATOM 146 N LYS A 11 8.151 -12.845 6.228 1.00 62.45 N ATOM 147 CA LYS A 11 7.143 -13.079 5.186 1.00 70.44 C ATOM 148 C LYS A 11 7.673 -12.362 3.951 1.00 13.14 C ATOM 149 O LYS A 11 8.191 -11.251 4.059 1.00 71.33 O ATOM 150 CB LYS A 11 5.683 -12.689 5.503 1.00 3.45 C ATOM 151 CG LYS A 11 4.799 -13.927 5.712 1.00 24.42 C ATOM 152 CD LYS A 11 4.737 -14.398 7.166 1.00 12.51 C ATOM 153 CE LYS A 11 3.849 -13.465 7.993 1.00 22.10 C ATOM 154 NZ LYS A 11 3.776 -13.864 9.412 1.00 62.34 N ATOM 0 H LYS A 11 8.833 -13.604 6.217 1.00 62.45 H new ATOM 0 HA LYS A 11 7.035 -14.156 5.059 1.00 70.44 H new ATOM 0 HB2 LYS A 11 5.658 -12.068 6.399 1.00 3.45 H new ATOM 0 HB3 LYS A 11 5.281 -12.088 4.687 1.00 3.45 H new ATOM 0 HG2 LYS A 11 3.789 -13.704 5.368 1.00 24.42 H new ATOM 0 HG3 LYS A 11 5.175 -14.740 5.091 1.00 24.42 H new ATOM 0 HD2 LYS A 11 4.346 -15.415 7.209 1.00 12.51 H new ATOM 0 HD3 LYS A 11 5.741 -14.424 7.589 1.00 12.51 H new ATOM 0 HE2 LYS A 11 4.234 -12.447 7.925 1.00 22.10 H new ATOM 0 HE3 LYS A 11 2.845 -13.455 7.570 1.00 22.10 H new ATOM 0 HZ1 LYS A 11 3.163 -13.201 9.928 1.00 62.34 H new ATOM 0 HZ2 LYS A 11 3.384 -14.825 9.483 1.00 62.34 H new ATOM 0 HZ3 LYS A 11 4.730 -13.848 9.827 1.00 62.34 H new ATOM 168 N ASP A 12 7.569 -12.986 2.779 1.00 45.52 N ATOM 169 CA ASP A 12 8.075 -12.402 1.542 1.00 2.30 C ATOM 170 C ASP A 12 7.287 -11.154 1.185 1.00 13.25 C ATOM 171 O ASP A 12 7.852 -10.168 0.719 1.00 32.44 O ATOM 172 CB ASP A 12 8.052 -13.421 0.392 1.00 64.03 C ATOM 173 CG ASP A 12 6.651 -13.708 -0.140 1.00 4.20 C ATOM 174 OD1 ASP A 12 5.842 -14.333 0.586 1.00 45.03 O ATOM 175 OD2 ASP A 12 6.339 -13.323 -1.289 1.00 1.30 O ATOM 0 H ASP A 12 7.136 -13.902 2.662 1.00 45.52 H new ATOM 0 HA ASP A 12 9.115 -12.117 1.702 1.00 2.30 H new ATOM 0 HB2 ASP A 12 8.673 -13.050 -0.424 1.00 64.03 H new ATOM 0 HB3 ASP A 12 8.500 -14.354 0.735 1.00 64.03 H new ATOM 180 N LYS A 13 5.978 -11.176 1.432 1.00 0.23 N ATOM 181 CA LYS A 13 5.117 -10.052 1.134 1.00 30.12 C ATOM 182 C LYS A 13 5.442 -8.899 2.070 1.00 61.23 C ATOM 183 O LYS A 13 5.622 -7.777 1.613 1.00 42.11 O ATOM 184 CB LYS A 13 3.653 -10.490 1.213 1.00 43.14 C ATOM 185 CG LYS A 13 3.325 -11.527 0.120 1.00 70.44 C ATOM 186 CD LYS A 13 1.814 -11.831 0.063 1.00 24.12 C ATOM 187 CE LYS A 13 1.236 -12.017 -1.352 1.00 45.24 C ATOM 188 NZ LYS A 13 1.435 -13.356 -1.944 1.00 73.44 N ATOM 0 H LYS A 13 5.494 -11.974 1.843 1.00 0.23 H new ATOM 0 HA LYS A 13 5.289 -9.697 0.118 1.00 30.12 H new ATOM 0 HB2 LYS A 13 3.450 -10.916 2.196 1.00 43.14 H new ATOM 0 HB3 LYS A 13 3.004 -9.622 1.102 1.00 43.14 H new ATOM 0 HG2 LYS A 13 3.659 -11.154 -0.848 1.00 70.44 H new ATOM 0 HG3 LYS A 13 3.875 -12.448 0.314 1.00 70.44 H new ATOM 0 HD2 LYS A 13 1.620 -12.735 0.639 1.00 24.12 H new ATOM 0 HD3 LYS A 13 1.277 -11.019 0.554 1.00 24.12 H new ATOM 0 HE2 LYS A 13 0.167 -11.807 -1.320 1.00 45.24 H new ATOM 0 HE3 LYS A 13 1.687 -11.276 -2.011 1.00 45.24 H new ATOM 0 HZ1 LYS A 13 1.348 -13.295 -2.979 1.00 73.44 H new ATOM 0 HZ2 LYS A 13 2.382 -13.708 -1.696 1.00 73.44 H new ATOM 0 HZ3 LYS A 13 0.715 -14.009 -1.575 1.00 73.44 H new ATOM 202 N LEU A 14 5.527 -9.155 3.373 1.00 5.21 N ATOM 203 CA LEU A 14 5.832 -8.083 4.311 1.00 74.54 C ATOM 204 C LEU A 14 7.238 -7.537 4.071 1.00 73.03 C ATOM 205 O LEU A 14 7.451 -6.353 4.310 1.00 52.32 O ATOM 206 CB LEU A 14 5.653 -8.555 5.755 1.00 73.34 C ATOM 207 CG LEU A 14 4.249 -9.108 6.059 1.00 1.04 C ATOM 208 CD1 LEU A 14 4.177 -9.568 7.513 1.00 11.02 C ATOM 209 CD2 LEU A 14 3.147 -8.076 5.820 1.00 42.41 C ATOM 0 H LEU A 14 5.392 -10.074 3.795 1.00 5.21 H new ATOM 0 HA LEU A 14 5.128 -7.269 4.142 1.00 74.54 H new ATOM 0 HB2 LEU A 14 6.392 -9.328 5.969 1.00 73.34 H new ATOM 0 HB3 LEU A 14 5.859 -7.722 6.428 1.00 73.34 H new ATOM 0 HG LEU A 14 4.085 -9.943 5.378 1.00 1.04 H new ATOM 0 HD11 LEU A 14 3.181 -9.958 7.722 1.00 11.02 H new ATOM 0 HD12 LEU A 14 4.917 -10.350 7.684 1.00 11.02 H new ATOM 0 HD13 LEU A 14 4.382 -8.724 8.172 1.00 11.02 H new ATOM 0 HD21 LEU A 14 2.178 -8.519 6.050 1.00 42.41 H new ATOM 0 HD22 LEU A 14 3.313 -7.211 6.463 1.00 42.41 H new ATOM 0 HD23 LEU A 14 3.164 -7.761 4.777 1.00 42.41 H new ATOM 221 N GLN A 15 8.174 -8.357 3.582 1.00 31.32 N ATOM 222 CA GLN A 15 9.539 -7.928 3.310 1.00 11.31 C ATOM 223 C GLN A 15 9.578 -6.968 2.119 1.00 52.02 C ATOM 224 O GLN A 15 10.222 -5.927 2.233 1.00 71.50 O ATOM 225 CB GLN A 15 10.454 -9.144 3.105 1.00 25.13 C ATOM 226 CG GLN A 15 11.924 -8.747 2.909 1.00 22.32 C ATOM 227 CD GLN A 15 12.801 -9.979 2.761 1.00 31.02 C ATOM 228 OE1 GLN A 15 13.124 -10.653 3.738 1.00 64.22 O ATOM 229 NE2 GLN A 15 13.190 -10.308 1.545 1.00 60.23 N ATOM 0 H GLN A 15 8.000 -9.338 3.365 1.00 31.32 H new ATOM 0 HA GLN A 15 9.915 -7.381 4.174 1.00 11.31 H new ATOM 0 HB2 GLN A 15 10.372 -9.806 3.967 1.00 25.13 H new ATOM 0 HB3 GLN A 15 10.114 -9.708 2.236 1.00 25.13 H new ATOM 0 HG2 GLN A 15 12.021 -8.118 2.024 1.00 22.32 H new ATOM 0 HG3 GLN A 15 12.262 -8.155 3.759 1.00 22.32 H new ATOM 0 HE21 GLN A 15 12.911 -9.736 0.748 1.00 60.23 H new ATOM 0 HE22 GLN A 15 13.770 -11.135 1.401 1.00 60.23 H new ATOM 238 N VAL A 16 8.915 -7.257 0.990 1.00 30.21 N ATOM 239 CA VAL A 16 8.959 -6.326 -0.147 1.00 35.12 C ATOM 240 C VAL A 16 8.312 -4.983 0.218 1.00 34.21 C ATOM 241 O VAL A 16 8.743 -3.945 -0.283 1.00 64.43 O ATOM 242 CB VAL A 16 8.368 -6.928 -1.441 1.00 23.50 C ATOM 243 CG1 VAL A 16 9.120 -8.186 -1.875 1.00 33.11 C ATOM 244 CG2 VAL A 16 6.893 -7.298 -1.328 1.00 43.25 C ATOM 0 H VAL A 16 8.359 -8.099 0.841 1.00 30.21 H new ATOM 0 HA VAL A 16 10.010 -6.140 -0.366 1.00 35.12 H new ATOM 0 HB VAL A 16 8.477 -6.133 -2.179 1.00 23.50 H new ATOM 0 HG11 VAL A 16 8.674 -8.579 -2.789 1.00 33.11 H new ATOM 0 HG12 VAL A 16 10.166 -7.940 -2.058 1.00 33.11 H new ATOM 0 HG13 VAL A 16 9.057 -8.937 -1.088 1.00 33.11 H new ATOM 0 HG21 VAL A 16 6.549 -7.714 -2.275 1.00 43.25 H new ATOM 0 HG22 VAL A 16 6.763 -8.038 -0.538 1.00 43.25 H new ATOM 0 HG23 VAL A 16 6.312 -6.407 -1.090 1.00 43.25 H new ATOM 254 N ILE A 17 7.282 -4.982 1.075 1.00 44.20 N ATOM 255 CA ILE A 17 6.648 -3.732 1.481 1.00 42.34 C ATOM 256 C ILE A 17 7.615 -3.004 2.426 1.00 32.45 C ATOM 257 O ILE A 17 7.686 -1.784 2.404 1.00 2.22 O ATOM 258 CB ILE A 17 5.255 -3.952 2.105 1.00 54.22 C ATOM 259 CG1 ILE A 17 4.314 -4.742 1.175 1.00 63.42 C ATOM 260 CG2 ILE A 17 4.587 -2.599 2.387 1.00 73.24 C ATOM 261 CD1 ILE A 17 3.031 -5.165 1.899 1.00 0.04 C ATOM 0 H ILE A 17 6.879 -5.821 1.492 1.00 44.20 H new ATOM 0 HA ILE A 17 6.458 -3.112 0.605 1.00 42.34 H new ATOM 0 HB ILE A 17 5.413 -4.520 3.021 1.00 54.22 H new ATOM 0 HG12 ILE A 17 4.059 -4.131 0.309 1.00 63.42 H new ATOM 0 HG13 ILE A 17 4.830 -5.626 0.800 1.00 63.42 H new ATOM 0 HG21 ILE A 17 3.604 -2.764 2.828 1.00 73.24 H new ATOM 0 HG22 ILE A 17 5.204 -2.026 3.080 1.00 73.24 H new ATOM 0 HG23 ILE A 17 4.479 -2.045 1.454 1.00 73.24 H new ATOM 0 HD11 ILE A 17 2.392 -5.720 1.212 1.00 0.04 H new ATOM 0 HD12 ILE A 17 3.285 -5.798 2.750 1.00 0.04 H new ATOM 0 HD13 ILE A 17 2.503 -4.279 2.251 1.00 0.04 H new ATOM 273 N ASP A 18 8.362 -3.728 3.259 1.00 5.00 N ATOM 274 CA ASP A 18 9.327 -3.110 4.173 1.00 4.41 C ATOM 275 C ASP A 18 10.438 -2.457 3.354 1.00 50.23 C ATOM 276 O ASP A 18 10.900 -1.370 3.680 1.00 12.45 O ATOM 277 CB ASP A 18 9.949 -4.144 5.120 1.00 62.20 C ATOM 278 CG ASP A 18 10.150 -3.639 6.549 1.00 21.20 C ATOM 279 OD1 ASP A 18 10.156 -4.518 7.446 1.00 25.45 O ATOM 280 OD2 ASP A 18 10.211 -2.424 6.818 1.00 12.54 O ATOM 0 H ASP A 18 8.318 -4.745 3.321 1.00 5.00 H new ATOM 0 HA ASP A 18 8.800 -2.369 4.775 1.00 4.41 H new ATOM 0 HB2 ASP A 18 9.312 -5.028 5.145 1.00 62.20 H new ATOM 0 HB3 ASP A 18 10.913 -4.457 4.717 1.00 62.20 H new ATOM 285 N TRP A 19 10.836 -3.107 2.253 1.00 14.03 N ATOM 286 CA TRP A 19 11.873 -2.630 1.360 1.00 55.34 C ATOM 287 C TRP A 19 11.466 -1.271 0.797 1.00 73.10 C ATOM 288 O TRP A 19 12.205 -0.302 0.970 1.00 1.33 O ATOM 289 CB TRP A 19 12.126 -3.670 0.257 1.00 13.13 C ATOM 290 CG TRP A 19 12.997 -3.193 -0.858 1.00 20.11 C ATOM 291 CD1 TRP A 19 12.586 -2.838 -2.099 1.00 74.33 C ATOM 292 CD2 TRP A 19 14.419 -2.889 -0.804 1.00 75.35 C ATOM 293 NE1 TRP A 19 13.658 -2.353 -2.817 1.00 2.44 N ATOM 294 CE2 TRP A 19 14.815 -2.385 -2.075 1.00 11.53 C ATOM 295 CE3 TRP A 19 15.397 -2.912 0.212 1.00 13.00 C ATOM 296 CZ2 TRP A 19 16.122 -1.961 -2.333 1.00 1.02 C ATOM 297 CZ3 TRP A 19 16.698 -2.435 -0.028 1.00 54.34 C ATOM 298 CH2 TRP A 19 17.069 -1.977 -1.301 1.00 61.20 C ATOM 0 H TRP A 19 10.431 -3.997 1.961 1.00 14.03 H new ATOM 0 HA TRP A 19 12.811 -2.498 1.900 1.00 55.34 H new ATOM 0 HB2 TRP A 19 12.583 -4.552 0.705 1.00 13.13 H new ATOM 0 HB3 TRP A 19 11.167 -3.983 -0.157 1.00 13.13 H new ATOM 0 HD1 TRP A 19 11.575 -2.922 -2.469 1.00 74.33 H new ATOM 0 HE1 TRP A 19 13.600 -2.013 -3.777 1.00 2.44 H new ATOM 0 HE3 TRP A 19 15.143 -3.301 1.187 1.00 13.00 H new ATOM 0 HZ2 TRP A 19 16.399 -1.624 -3.321 1.00 1.02 H new ATOM 0 HZ3 TRP A 19 17.419 -2.421 0.776 1.00 54.34 H new ATOM 0 HH2 TRP A 19 18.078 -1.639 -1.484 1.00 61.20 H new ATOM 309 N LEU A 20 10.282 -1.163 0.177 1.00 63.13 N ATOM 310 CA LEU A 20 9.830 0.110 -0.378 1.00 4.41 C ATOM 311 C LEU A 20 9.614 1.163 0.718 1.00 4.25 C ATOM 312 O LEU A 20 9.847 2.344 0.460 1.00 63.21 O ATOM 313 CB LEU A 20 8.642 -0.080 -1.332 1.00 65.32 C ATOM 314 CG LEU A 20 7.346 -0.628 -0.720 1.00 13.01 C ATOM 315 CD1 LEU A 20 6.356 0.477 -0.347 1.00 74.11 C ATOM 316 CD2 LEU A 20 6.671 -1.624 -1.664 1.00 73.10 C ATOM 0 H LEU A 20 9.629 -1.937 0.051 1.00 63.13 H new ATOM 0 HA LEU A 20 10.627 0.518 -1.000 1.00 4.41 H new ATOM 0 HB2 LEU A 20 8.420 0.882 -1.794 1.00 65.32 H new ATOM 0 HB3 LEU A 20 8.952 -0.753 -2.131 1.00 65.32 H new ATOM 0 HG LEU A 20 7.636 -1.137 0.199 1.00 13.01 H new ATOM 0 HD11 LEU A 20 5.458 0.032 0.081 1.00 74.11 H new ATOM 0 HD12 LEU A 20 6.814 1.144 0.383 1.00 74.11 H new ATOM 0 HD13 LEU A 20 6.090 1.044 -1.239 1.00 74.11 H new ATOM 0 HD21 LEU A 20 5.755 -1.997 -1.205 1.00 73.10 H new ATOM 0 HD22 LEU A 20 6.430 -1.128 -2.604 1.00 73.10 H new ATOM 0 HD23 LEU A 20 7.346 -2.458 -1.856 1.00 73.10 H new ATOM 328 N ILE A 21 9.188 0.761 1.924 1.00 42.13 N ATOM 329 CA ILE A 21 8.972 1.667 3.053 1.00 42.10 C ATOM 330 C ILE A 21 10.324 2.283 3.441 1.00 23.31 C ATOM 331 O ILE A 21 10.430 3.500 3.597 1.00 65.24 O ATOM 332 CB ILE A 21 8.319 0.894 4.236 1.00 43.00 C ATOM 333 CG1 ILE A 21 6.804 0.685 4.004 1.00 75.42 C ATOM 334 CG2 ILE A 21 8.562 1.552 5.610 1.00 53.14 C ATOM 335 CD1 ILE A 21 6.163 -0.327 4.965 1.00 72.32 C ATOM 0 H ILE A 21 8.982 -0.214 2.142 1.00 42.13 H new ATOM 0 HA ILE A 21 8.287 2.471 2.782 1.00 42.10 H new ATOM 0 HB ILE A 21 8.815 -0.076 4.260 1.00 43.00 H new ATOM 0 HG12 ILE A 21 6.295 1.643 4.108 1.00 75.42 H new ATOM 0 HG13 ILE A 21 6.646 0.349 2.979 1.00 75.42 H new ATOM 0 HG21 ILE A 21 8.079 0.960 6.387 1.00 53.14 H new ATOM 0 HG22 ILE A 21 9.633 1.602 5.805 1.00 53.14 H new ATOM 0 HG23 ILE A 21 8.146 2.559 5.610 1.00 53.14 H new ATOM 0 HD11 ILE A 21 5.100 -0.419 4.740 1.00 72.32 H new ATOM 0 HD12 ILE A 21 6.645 -1.297 4.846 1.00 72.32 H new ATOM 0 HD13 ILE A 21 6.288 0.017 5.992 1.00 72.32 H new ATOM 347 N GLU A 22 11.350 1.451 3.618 1.00 22.44 N ATOM 348 CA GLU A 22 12.697 1.843 4.009 1.00 23.24 C ATOM 349 C GLU A 22 13.417 2.629 2.914 1.00 41.42 C ATOM 350 O GLU A 22 14.174 3.552 3.220 1.00 4.41 O ATOM 351 CB GLU A 22 13.465 0.564 4.371 1.00 10.34 C ATOM 352 CG GLU A 22 14.787 0.835 5.096 1.00 24.42 C ATOM 353 CD GLU A 22 15.398 -0.483 5.572 1.00 1.01 C ATOM 354 OE1 GLU A 22 16.378 -0.961 4.947 1.00 1.12 O ATOM 355 OE2 GLU A 22 14.871 -1.076 6.540 1.00 31.31 O ATOM 0 H GLU A 22 11.258 0.444 3.486 1.00 22.44 H new ATOM 0 HA GLU A 22 12.644 2.515 4.865 1.00 23.24 H new ATOM 0 HB2 GLU A 22 12.835 -0.063 5.001 1.00 10.34 H new ATOM 0 HB3 GLU A 22 13.667 -0.000 3.460 1.00 10.34 H new ATOM 0 HG2 GLU A 22 15.480 1.347 4.428 1.00 24.42 H new ATOM 0 HG3 GLU A 22 14.617 1.495 5.946 1.00 24.42 H new ATOM 362 N ASN A 23 13.159 2.292 1.648 1.00 64.23 N ATOM 363 CA ASN A 23 13.775 2.926 0.484 1.00 73.23 C ATOM 364 C ASN A 23 13.388 4.396 0.382 1.00 71.55 C ATOM 365 O ASN A 23 14.267 5.230 0.173 1.00 33.14 O ATOM 366 CB ASN A 23 13.378 2.190 -0.812 1.00 62.21 C ATOM 367 CG ASN A 23 14.386 1.121 -1.215 1.00 15.12 C ATOM 368 OD1 ASN A 23 14.878 1.097 -2.341 1.00 3.30 O ATOM 369 ND2 ASN A 23 14.724 0.225 -0.309 1.00 12.32 N ATOM 0 H ASN A 23 12.501 1.554 1.400 1.00 64.23 H new ATOM 0 HA ASN A 23 14.856 2.864 0.612 1.00 73.23 H new ATOM 0 HB2 ASN A 23 12.400 1.728 -0.677 1.00 62.21 H new ATOM 0 HB3 ASN A 23 13.280 2.914 -1.621 1.00 62.21 H new ATOM 0 HD21 ASN A 23 15.403 -0.501 -0.538 1.00 12.32 H new ATOM 0 HD22 ASN A 23 14.307 0.258 0.621 1.00 12.32 H new ATOM 376 N PHE A 24 12.101 4.725 0.527 1.00 10.33 N ATOM 377 CA PHE A 24 11.624 6.101 0.452 1.00 1.12 C ATOM 378 C PHE A 24 10.989 6.485 1.791 1.00 5.51 C ATOM 379 O PHE A 24 9.774 6.369 1.956 1.00 25.44 O ATOM 380 CB PHE A 24 10.679 6.298 -0.740 1.00 4.44 C ATOM 381 CG PHE A 24 11.365 6.740 -2.020 1.00 33.02 C ATOM 382 CD1 PHE A 24 11.689 8.096 -2.215 1.00 1.13 C ATOM 383 CD2 PHE A 24 11.595 5.823 -3.056 1.00 62.24 C ATOM 384 CE1 PHE A 24 12.195 8.537 -3.449 1.00 51.00 C ATOM 385 CE2 PHE A 24 12.096 6.264 -4.295 1.00 0.44 C ATOM 386 CZ PHE A 24 12.392 7.621 -4.493 1.00 52.41 C ATOM 0 H PHE A 24 11.364 4.042 0.700 1.00 10.33 H new ATOM 0 HA PHE A 24 12.463 6.774 0.274 1.00 1.12 H new ATOM 0 HB2 PHE A 24 10.153 5.362 -0.929 1.00 4.44 H new ATOM 0 HB3 PHE A 24 9.926 7.039 -0.472 1.00 4.44 H new ATOM 0 HD1 PHE A 24 11.548 8.802 -1.410 1.00 1.13 H new ATOM 0 HD2 PHE A 24 11.387 4.774 -2.902 1.00 62.24 H new ATOM 0 HE1 PHE A 24 12.432 9.581 -3.594 1.00 51.00 H new ATOM 0 HE2 PHE A 24 12.253 5.556 -5.095 1.00 0.44 H new ATOM 0 HZ PHE A 24 12.770 7.959 -5.446 1.00 52.41 H new ATOM 396 N PRO A 25 11.766 6.997 2.756 1.00 24.10 N ATOM 397 CA PRO A 25 11.273 7.401 4.067 1.00 22.23 C ATOM 398 C PRO A 25 10.552 8.768 4.061 1.00 35.35 C ATOM 399 O PRO A 25 10.493 9.400 5.123 1.00 55.41 O ATOM 400 CB PRO A 25 12.538 7.411 4.941 1.00 5.41 C ATOM 401 CG PRO A 25 13.607 7.896 3.969 1.00 71.55 C ATOM 402 CD PRO A 25 13.211 7.175 2.685 1.00 2.31 C ATOM 0 HA PRO A 25 10.505 6.722 4.437 1.00 22.23 H new ATOM 0 HB2 PRO A 25 12.435 8.078 5.797 1.00 5.41 H new ATOM 0 HB3 PRO A 25 12.767 6.421 5.335 1.00 5.41 H new ATOM 0 HG2 PRO A 25 13.591 8.979 3.851 1.00 71.55 H new ATOM 0 HG3 PRO A 25 14.611 7.626 4.297 1.00 71.55 H new ATOM 0 HD2 PRO A 25 13.490 7.758 1.808 1.00 2.31 H new ATOM 0 HD3 PRO A 25 13.719 6.214 2.604 1.00 2.31 H new ATOM 410 N ASN A 26 10.004 9.276 2.937 1.00 12.51 N ATOM 411 CA ASN A 26 9.354 10.591 3.028 1.00 22.44 C ATOM 412 C ASN A 26 7.957 10.483 3.633 1.00 55.52 C ATOM 413 O ASN A 26 7.482 11.464 4.215 1.00 54.25 O ATOM 414 CB ASN A 26 9.126 11.275 1.682 1.00 23.13 C ATOM 415 CG ASN A 26 10.350 12.019 1.199 1.00 23.33 C ATOM 416 OD1 ASN A 26 10.646 13.125 1.642 1.00 43.53 O ATOM 417 ND2 ASN A 26 11.093 11.409 0.314 1.00 12.50 N ATOM 0 H ASN A 26 9.997 8.831 2.019 1.00 12.51 H new ATOM 0 HA ASN A 26 10.048 11.168 3.638 1.00 22.44 H new ATOM 0 HB2 ASN A 26 8.843 10.527 0.941 1.00 23.13 H new ATOM 0 HB3 ASN A 26 8.292 11.971 1.768 1.00 23.13 H new ATOM 0 HD21 ASN A 26 11.946 11.852 -0.028 1.00 12.50 H new ATOM 0 HD22 ASN A 26 10.820 10.490 -0.035 1.00 12.50 H new ATOM 424 N ALA A 27 7.335 9.300 3.574 1.00 0.52 N ATOM 425 CA ALA A 27 6.015 8.998 4.082 1.00 15.44 C ATOM 426 C ALA A 27 5.727 7.513 3.860 1.00 61.03 C ATOM 427 O ALA A 27 5.603 7.085 2.713 1.00 30.13 O ATOM 428 CB ALA A 27 5.033 9.756 3.166 1.00 31.34 C ATOM 0 H ALA A 27 7.776 8.488 3.143 1.00 0.52 H new ATOM 0 HA ALA A 27 5.930 9.260 5.137 1.00 15.44 H new ATOM 0 HB1 ALA A 27 4.011 9.570 3.496 1.00 31.34 H new ATOM 0 HB2 ALA A 27 5.242 10.825 3.214 1.00 31.34 H new ATOM 0 HB3 ALA A 27 5.152 9.409 2.139 1.00 31.34 H new ATOM 434 N PHE A 28 5.494 6.748 4.923 1.00 72.41 N ATOM 435 CA PHE A 28 5.166 5.320 4.878 1.00 62.35 C ATOM 436 C PHE A 28 4.903 4.811 6.300 1.00 71.50 C ATOM 437 O PHE A 28 5.271 5.492 7.258 1.00 63.23 O ATOM 438 CB PHE A 28 6.253 4.500 4.153 1.00 64.12 C ATOM 439 CG PHE A 28 5.894 4.110 2.722 1.00 74.15 C ATOM 440 CD1 PHE A 28 4.643 3.526 2.428 1.00 53.44 C ATOM 441 CD2 PHE A 28 6.797 4.354 1.668 1.00 23.34 C ATOM 442 CE1 PHE A 28 4.284 3.239 1.099 1.00 55.50 C ATOM 443 CE2 PHE A 28 6.442 4.056 0.340 1.00 0.33 C ATOM 444 CZ PHE A 28 5.176 3.516 0.052 1.00 4.11 C ATOM 0 H PHE A 28 5.529 7.115 5.874 1.00 72.41 H new ATOM 0 HA PHE A 28 4.257 5.187 4.292 1.00 62.35 H new ATOM 0 HB2 PHE A 28 7.178 5.076 4.139 1.00 64.12 H new ATOM 0 HB3 PHE A 28 6.451 3.594 4.726 1.00 64.12 H new ATOM 0 HD1 PHE A 28 3.956 3.298 3.230 1.00 53.44 H new ATOM 0 HD2 PHE A 28 7.769 4.773 1.882 1.00 23.34 H new ATOM 0 HE1 PHE A 28 3.319 2.804 0.884 1.00 55.50 H new ATOM 0 HE2 PHE A 28 7.143 4.242 -0.460 1.00 0.33 H new ATOM 0 HZ PHE A 28 4.892 3.315 -0.970 1.00 4.11 H new ATOM 454 N PHE A 29 4.295 3.628 6.463 1.00 33.45 N ATOM 455 CA PHE A 29 3.991 3.028 7.766 1.00 62.41 C ATOM 456 C PHE A 29 4.017 1.501 7.642 1.00 3.31 C ATOM 457 O PHE A 29 3.713 0.967 6.575 1.00 14.14 O ATOM 458 CB PHE A 29 2.615 3.509 8.249 1.00 23.44 C ATOM 459 CG PHE A 29 2.582 4.992 8.576 1.00 72.11 C ATOM 460 CD1 PHE A 29 2.036 5.914 7.661 1.00 31.42 C ATOM 461 CD2 PHE A 29 3.193 5.465 9.752 1.00 4.43 C ATOM 462 CE1 PHE A 29 2.118 7.294 7.915 1.00 43.14 C ATOM 463 CE2 PHE A 29 3.267 6.844 10.009 1.00 54.44 C ATOM 464 CZ PHE A 29 2.738 7.760 9.085 1.00 24.12 C ATOM 0 H PHE A 29 3.996 3.052 5.677 1.00 33.45 H new ATOM 0 HA PHE A 29 4.740 3.334 8.496 1.00 62.41 H new ATOM 0 HB2 PHE A 29 1.872 3.296 7.480 1.00 23.44 H new ATOM 0 HB3 PHE A 29 2.329 2.942 9.135 1.00 23.44 H new ATOM 0 HD1 PHE A 29 1.553 5.559 6.762 1.00 31.42 H new ATOM 0 HD2 PHE A 29 3.607 4.764 10.461 1.00 4.43 H new ATOM 0 HE1 PHE A 29 1.703 7.997 7.208 1.00 43.14 H new ATOM 0 HE2 PHE A 29 3.731 7.200 10.917 1.00 54.44 H new ATOM 0 HZ PHE A 29 2.808 8.821 9.274 1.00 24.12 H new ATOM 474 N LYS A 30 4.351 0.794 8.730 1.00 63.14 N ATOM 475 CA LYS A 30 4.442 -0.672 8.769 1.00 73.23 C ATOM 476 C LYS A 30 3.206 -1.347 9.351 1.00 21.41 C ATOM 477 O LYS A 30 2.976 -2.518 9.044 1.00 63.53 O ATOM 478 CB LYS A 30 5.634 -1.144 9.617 1.00 53.40 C ATOM 479 CG LYS A 30 7.023 -0.851 9.044 1.00 14.43 C ATOM 480 CD LYS A 30 7.407 0.631 9.147 1.00 74.35 C ATOM 481 CE LYS A 30 8.923 0.811 9.202 1.00 33.02 C ATOM 482 NZ LYS A 30 9.499 0.368 10.489 1.00 74.34 N ATOM 0 H LYS A 30 4.570 1.233 9.624 1.00 63.14 H new ATOM 0 HA LYS A 30 4.555 -0.958 7.723 1.00 73.23 H new ATOM 0 HB2 LYS A 30 5.562 -0.678 10.600 1.00 53.40 H new ATOM 0 HB3 LYS A 30 5.544 -2.220 9.767 1.00 53.40 H new ATOM 0 HG2 LYS A 30 7.763 -1.451 9.573 1.00 14.43 H new ATOM 0 HG3 LYS A 30 7.052 -1.158 7.998 1.00 14.43 H new ATOM 0 HD2 LYS A 30 7.005 1.173 8.291 1.00 74.35 H new ATOM 0 HD3 LYS A 30 6.955 1.065 10.039 1.00 74.35 H new ATOM 0 HE2 LYS A 30 9.382 0.248 8.389 1.00 33.02 H new ATOM 0 HE3 LYS A 30 9.167 1.861 9.041 1.00 33.02 H new ATOM 0 HZ1 LYS A 30 10.455 0.764 10.596 1.00 74.34 H new ATOM 0 HZ2 LYS A 30 8.898 0.699 11.271 1.00 74.34 H new ATOM 0 HZ3 LYS A 30 9.550 -0.671 10.507 1.00 74.34 H new ATOM 496 N LYS A 31 2.448 -0.674 10.220 1.00 3.44 N ATOM 497 CA LYS A 31 1.250 -1.252 10.825 1.00 41.11 C ATOM 498 C LYS A 31 0.034 -0.504 10.326 1.00 22.11 C ATOM 499 O LYS A 31 0.047 0.728 10.261 1.00 73.44 O ATOM 500 CB LYS A 31 1.299 -1.231 12.358 1.00 2.44 C ATOM 501 CG LYS A 31 2.350 -2.194 12.928 1.00 73.42 C ATOM 502 CD LYS A 31 1.997 -2.591 14.365 1.00 35.04 C ATOM 503 CE LYS A 31 3.039 -3.579 14.902 1.00 74.31 C ATOM 504 NZ LYS A 31 2.658 -4.141 16.214 1.00 43.13 N ATOM 0 H LYS A 31 2.647 0.280 10.521 1.00 3.44 H new ATOM 0 HA LYS A 31 1.195 -2.300 10.529 1.00 41.11 H new ATOM 0 HB2 LYS A 31 1.518 -0.218 12.697 1.00 2.44 H new ATOM 0 HB3 LYS A 31 0.318 -1.495 12.753 1.00 2.44 H new ATOM 0 HG2 LYS A 31 2.411 -3.085 12.304 1.00 73.42 H new ATOM 0 HG3 LYS A 31 3.332 -1.722 12.907 1.00 73.42 H new ATOM 0 HD2 LYS A 31 1.962 -1.705 14.999 1.00 35.04 H new ATOM 0 HD3 LYS A 31 1.005 -3.043 14.394 1.00 35.04 H new ATOM 0 HE2 LYS A 31 3.169 -4.391 14.186 1.00 74.31 H new ATOM 0 HE3 LYS A 31 4.001 -3.075 14.991 1.00 74.31 H new ATOM 0 HZ1 LYS A 31 3.393 -4.803 16.535 1.00 43.13 H new ATOM 0 HZ2 LYS A 31 2.559 -3.371 16.906 1.00 43.13 H new ATOM 0 HZ3 LYS A 31 1.753 -4.646 16.126 1.00 43.13 H new ATOM 518 N GLY A 32 -1.015 -1.259 10.018 1.00 42.24 N ATOM 519 CA GLY A 32 -2.281 -0.753 9.532 1.00 44.55 C ATOM 520 C GLY A 32 -2.874 0.283 10.484 1.00 50.05 C ATOM 521 O GLY A 32 -3.463 1.257 10.037 1.00 51.45 O ATOM 0 H GLY A 32 -1.000 -2.275 10.105 1.00 42.24 H new ATOM 0 HA2 GLY A 32 -2.141 -0.306 8.548 1.00 44.55 H new ATOM 0 HA3 GLY A 32 -2.981 -1.579 9.410 1.00 44.55 H new ATOM 525 N ASN A 33 -2.667 0.139 11.793 1.00 61.50 N ATOM 526 CA ASN A 33 -3.202 1.043 12.799 1.00 45.15 C ATOM 527 C ASN A 33 -2.821 2.515 12.608 1.00 12.33 C ATOM 528 O ASN A 33 -3.583 3.386 13.020 1.00 2.13 O ATOM 529 CB ASN A 33 -2.843 0.533 14.206 1.00 34.41 C ATOM 530 CG ASN A 33 -1.358 0.368 14.507 1.00 4.41 C ATOM 531 OD1 ASN A 33 -0.901 -0.685 14.932 1.00 52.12 O ATOM 532 ND2 ASN A 33 -0.543 1.390 14.345 1.00 33.12 N ATOM 0 H ASN A 33 -2.114 -0.623 12.186 1.00 61.50 H new ATOM 0 HA ASN A 33 -4.285 1.033 12.674 1.00 45.15 H new ATOM 0 HB2 ASN A 33 -3.266 1.222 14.937 1.00 34.41 H new ATOM 0 HB3 ASN A 33 -3.331 -0.430 14.356 1.00 34.41 H new ATOM 0 HD21 ASN A 33 0.447 1.294 14.572 1.00 33.12 H new ATOM 0 HD22 ASN A 33 -0.902 2.277 13.992 1.00 33.12 H new ATOM 539 N GLN A 34 -1.646 2.803 12.043 1.00 25.53 N ATOM 540 CA GLN A 34 -1.134 4.154 11.799 1.00 63.34 C ATOM 541 C GLN A 34 -0.967 4.468 10.308 1.00 2.02 C ATOM 542 O GLN A 34 -0.377 5.487 9.950 1.00 44.23 O ATOM 543 CB GLN A 34 0.176 4.348 12.582 1.00 20.51 C ATOM 544 CG GLN A 34 1.313 3.390 12.181 1.00 30.40 C ATOM 545 CD GLN A 34 2.516 3.424 13.126 1.00 24.35 C ATOM 546 OE1 GLN A 34 3.177 2.404 13.326 1.00 43.33 O ATOM 547 NE2 GLN A 34 2.852 4.559 13.711 1.00 62.12 N ATOM 0 H GLN A 34 -1.002 2.076 11.732 1.00 25.53 H new ATOM 0 HA GLN A 34 -1.874 4.869 12.159 1.00 63.34 H new ATOM 0 HB2 GLN A 34 0.518 5.374 12.444 1.00 20.51 H new ATOM 0 HB3 GLN A 34 -0.030 4.221 13.645 1.00 20.51 H new ATOM 0 HG2 GLN A 34 0.922 2.373 12.144 1.00 30.40 H new ATOM 0 HG3 GLN A 34 1.647 3.640 11.174 1.00 30.40 H new ATOM 0 HE21 GLN A 34 2.302 5.402 13.543 1.00 62.12 H new ATOM 0 HE22 GLN A 34 3.661 4.593 14.331 1.00 62.12 H new ATOM 556 N VAL A 35 -1.430 3.575 9.440 1.00 60.23 N ATOM 557 CA VAL A 35 -1.319 3.703 7.995 1.00 21.13 C ATOM 558 C VAL A 35 -1.990 4.974 7.445 1.00 21.40 C ATOM 559 O VAL A 35 -2.962 5.488 8.011 1.00 20.03 O ATOM 560 CB VAL A 35 -1.805 2.371 7.400 1.00 1.21 C ATOM 561 CG1 VAL A 35 -3.327 2.297 7.257 1.00 34.13 C ATOM 562 CG2 VAL A 35 -1.108 2.018 6.089 1.00 34.34 C ATOM 0 H VAL A 35 -1.905 2.721 9.732 1.00 60.23 H new ATOM 0 HA VAL A 35 -0.286 3.863 7.685 1.00 21.13 H new ATOM 0 HB VAL A 35 -1.519 1.614 8.130 1.00 1.21 H new ATOM 0 HG11 VAL A 35 -3.606 1.333 6.832 1.00 34.13 H new ATOM 0 HG12 VAL A 35 -3.790 2.409 8.237 1.00 34.13 H new ATOM 0 HG13 VAL A 35 -3.670 3.096 6.600 1.00 34.13 H new ATOM 0 HG21 VAL A 35 -1.492 1.068 5.717 1.00 34.34 H new ATOM 0 HG22 VAL A 35 -1.299 2.800 5.354 1.00 34.34 H new ATOM 0 HG23 VAL A 35 -0.035 1.934 6.259 1.00 34.34 H new ATOM 572 N LYS A 36 -1.485 5.453 6.304 1.00 2.51 N ATOM 573 CA LYS A 36 -1.931 6.652 5.589 1.00 43.32 C ATOM 574 C LYS A 36 -2.198 6.318 4.119 1.00 22.43 C ATOM 575 O LYS A 36 -1.482 5.456 3.593 1.00 45.41 O ATOM 576 CB LYS A 36 -0.784 7.686 5.698 1.00 55.12 C ATOM 577 CG LYS A 36 -1.002 9.001 4.926 1.00 24.31 C ATOM 578 CD LYS A 36 0.271 9.841 4.765 1.00 65.14 C ATOM 579 CE LYS A 36 0.628 10.663 6.004 1.00 71.21 C ATOM 580 NZ LYS A 36 -0.212 11.869 6.129 1.00 74.45 N ATOM 0 H LYS A 36 -0.711 4.989 5.829 1.00 2.51 H new ATOM 0 HA LYS A 36 -2.855 7.043 6.015 1.00 43.32 H new ATOM 0 HB2 LYS A 36 -0.631 7.924 6.751 1.00 55.12 H new ATOM 0 HB3 LYS A 36 0.135 7.222 5.339 1.00 55.12 H new ATOM 0 HG2 LYS A 36 -1.401 8.770 3.938 1.00 24.31 H new ATOM 0 HG3 LYS A 36 -1.755 9.595 5.444 1.00 24.31 H new ATOM 0 HD2 LYS A 36 1.104 9.180 4.527 1.00 65.14 H new ATOM 0 HD3 LYS A 36 0.146 10.514 3.917 1.00 65.14 H new ATOM 0 HE2 LYS A 36 0.510 10.046 6.895 1.00 71.21 H new ATOM 0 HE3 LYS A 36 1.677 10.955 5.955 1.00 71.21 H new ATOM 0 HZ1 LYS A 36 0.063 12.397 6.982 1.00 74.45 H new ATOM 0 HZ2 LYS A 36 -0.081 12.472 5.291 1.00 74.45 H new ATOM 0 HZ3 LYS A 36 -1.211 11.590 6.202 1.00 74.45 H new ATOM 594 N PRO A 37 -3.175 6.935 3.431 1.00 60.40 N ATOM 595 CA PRO A 37 -3.410 6.674 2.017 1.00 13.41 C ATOM 596 C PRO A 37 -2.297 7.370 1.210 1.00 71.13 C ATOM 597 O PRO A 37 -2.014 8.547 1.418 1.00 1.43 O ATOM 598 CB PRO A 37 -4.795 7.253 1.727 1.00 73.30 C ATOM 599 CG PRO A 37 -4.914 8.415 2.713 1.00 44.02 C ATOM 600 CD PRO A 37 -4.113 7.938 3.924 1.00 55.52 C ATOM 0 HA PRO A 37 -3.387 5.618 1.748 1.00 13.41 H new ATOM 0 HB2 PRO A 37 -4.879 7.593 0.695 1.00 73.30 H new ATOM 0 HB3 PRO A 37 -5.580 6.513 1.884 1.00 73.30 H new ATOM 0 HG2 PRO A 37 -4.505 9.337 2.299 1.00 44.02 H new ATOM 0 HG3 PRO A 37 -5.953 8.616 2.973 1.00 44.02 H new ATOM 0 HD2 PRO A 37 -3.583 8.769 4.390 1.00 55.52 H new ATOM 0 HD3 PRO A 37 -4.771 7.514 4.682 1.00 55.52 H new ATOM 608 N LEU A 38 -1.619 6.640 0.322 1.00 62.53 N ATOM 609 CA LEU A 38 -0.543 7.181 -0.520 1.00 32.01 C ATOM 610 C LEU A 38 -1.097 7.610 -1.887 1.00 23.22 C ATOM 611 O LEU A 38 -2.223 7.240 -2.233 1.00 63.22 O ATOM 612 CB LEU A 38 0.571 6.134 -0.725 1.00 54.43 C ATOM 613 CG LEU A 38 1.602 5.929 0.406 1.00 53.04 C ATOM 614 CD1 LEU A 38 2.120 7.233 1.020 1.00 4.25 C ATOM 615 CD2 LEU A 38 1.066 5.038 1.516 1.00 15.15 C ATOM 0 H LEU A 38 -1.800 5.649 0.164 1.00 62.53 H new ATOM 0 HA LEU A 38 -0.124 8.049 -0.011 1.00 32.01 H new ATOM 0 HB2 LEU A 38 0.093 5.173 -0.917 1.00 54.43 H new ATOM 0 HB3 LEU A 38 1.118 6.404 -1.628 1.00 54.43 H new ATOM 0 HG LEU A 38 2.442 5.438 -0.085 1.00 53.04 H new ATOM 0 HD11 LEU A 38 2.839 7.004 1.806 1.00 4.25 H new ATOM 0 HD12 LEU A 38 2.604 7.831 0.248 1.00 4.25 H new ATOM 0 HD13 LEU A 38 1.286 7.793 1.443 1.00 4.25 H new ATOM 0 HD21 LEU A 38 1.826 4.923 2.289 1.00 15.15 H new ATOM 0 HD22 LEU A 38 0.175 5.492 1.949 1.00 15.15 H new ATOM 0 HD23 LEU A 38 0.813 4.060 1.107 1.00 15.15 H new ATOM 627 N LYS A 39 -0.295 8.365 -2.659 1.00 73.34 N ATOM 628 CA LYS A 39 -0.611 8.871 -4.006 1.00 74.41 C ATOM 629 C LYS A 39 -1.135 7.713 -4.858 1.00 62.12 C ATOM 630 O LYS A 39 -0.707 6.566 -4.683 1.00 43.15 O ATOM 631 CB LYS A 39 0.675 9.500 -4.600 1.00 4.13 C ATOM 632 CG LYS A 39 0.511 10.418 -5.829 1.00 4.35 C ATOM 633 CD LYS A 39 0.518 9.793 -7.227 1.00 71.44 C ATOM 634 CE LYS A 39 1.777 9.002 -7.632 1.00 61.23 C ATOM 635 NZ LYS A 39 2.842 9.831 -8.244 1.00 52.55 N ATOM 0 H LYS A 39 0.633 8.652 -2.346 1.00 73.34 H new ATOM 0 HA LYS A 39 -1.386 9.637 -3.978 1.00 74.41 H new ATOM 0 HB2 LYS A 39 1.164 10.074 -3.813 1.00 4.13 H new ATOM 0 HB3 LYS A 39 1.352 8.690 -4.872 1.00 4.13 H new ATOM 0 HG2 LYS A 39 -0.429 10.957 -5.714 1.00 4.35 H new ATOM 0 HG3 LYS A 39 1.310 11.159 -5.796 1.00 4.35 H new ATOM 0 HD2 LYS A 39 -0.341 9.126 -7.305 1.00 71.44 H new ATOM 0 HD3 LYS A 39 0.370 10.590 -7.955 1.00 71.44 H new ATOM 0 HE2 LYS A 39 2.180 8.505 -6.750 1.00 61.23 H new ATOM 0 HE3 LYS A 39 1.491 8.220 -8.335 1.00 61.23 H new ATOM 0 HZ1 LYS A 39 3.086 9.447 -9.179 1.00 52.55 H new ATOM 0 HZ2 LYS A 39 2.504 10.809 -8.348 1.00 52.55 H new ATOM 0 HZ3 LYS A 39 3.685 9.819 -7.634 1.00 52.55 H new ATOM 649 N ILE A 40 -2.103 7.967 -5.736 1.00 62.33 N ATOM 650 CA ILE A 40 -2.672 6.934 -6.582 1.00 3.24 C ATOM 651 C ILE A 40 -1.568 6.251 -7.382 1.00 34.12 C ATOM 652 O ILE A 40 -0.691 6.891 -7.953 1.00 32.44 O ATOM 653 CB ILE A 40 -3.817 7.521 -7.424 1.00 31.01 C ATOM 654 CG1 ILE A 40 -4.569 6.425 -8.199 1.00 34.24 C ATOM 655 CG2 ILE A 40 -3.381 8.702 -8.308 1.00 53.53 C ATOM 656 CD1 ILE A 40 -3.955 6.088 -9.557 1.00 13.32 C ATOM 0 H ILE A 40 -2.510 8.892 -5.877 1.00 62.33 H new ATOM 0 HA ILE A 40 -3.126 6.144 -5.983 1.00 3.24 H new ATOM 0 HB ILE A 40 -4.530 7.953 -6.722 1.00 31.01 H new ATOM 0 HG12 ILE A 40 -4.599 5.521 -7.591 1.00 34.24 H new ATOM 0 HG13 ILE A 40 -5.601 6.743 -8.348 1.00 34.24 H new ATOM 0 HG21 ILE A 40 -4.237 9.068 -8.875 1.00 53.53 H new ATOM 0 HG22 ILE A 40 -2.993 9.503 -7.679 1.00 53.53 H new ATOM 0 HG23 ILE A 40 -2.603 8.373 -8.997 1.00 53.53 H new ATOM 0 HD11 ILE A 40 -4.544 5.307 -10.039 1.00 13.32 H new ATOM 0 HD12 ILE A 40 -3.950 6.979 -10.185 1.00 13.32 H new ATOM 0 HD13 ILE A 40 -2.933 5.737 -9.417 1.00 13.32 H new ATOM 668 N GLY A 41 -1.597 4.921 -7.391 1.00 34.20 N ATOM 669 CA GLY A 41 -0.637 4.130 -8.132 1.00 4.43 C ATOM 670 C GLY A 41 0.827 4.457 -7.817 1.00 50.43 C ATOM 671 O GLY A 41 1.655 4.248 -8.697 1.00 2.02 O ATOM 0 H GLY A 41 -2.288 4.368 -6.884 1.00 34.20 H new ATOM 0 HA2 GLY A 41 -0.815 3.075 -7.923 1.00 4.43 H new ATOM 0 HA3 GLY A 41 -0.809 4.277 -9.198 1.00 4.43 H new ATOM 675 N ILE A 42 1.154 4.870 -6.587 1.00 21.15 N ATOM 676 CA ILE A 42 2.487 5.228 -6.084 1.00 42.13 C ATOM 677 C ILE A 42 3.526 4.128 -6.407 1.00 13.52 C ATOM 678 O ILE A 42 4.728 4.375 -6.414 1.00 71.34 O ATOM 679 CB ILE A 42 2.369 5.482 -4.563 1.00 34.51 C ATOM 680 CG1 ILE A 42 3.713 5.956 -4.002 1.00 12.21 C ATOM 681 CG2 ILE A 42 1.797 4.278 -3.778 1.00 52.34 C ATOM 682 CD1 ILE A 42 3.601 6.653 -2.651 1.00 54.45 C ATOM 0 H ILE A 42 0.442 4.970 -5.863 1.00 21.15 H new ATOM 0 HA ILE A 42 2.844 6.132 -6.578 1.00 42.13 H new ATOM 0 HB ILE A 42 1.636 6.277 -4.425 1.00 34.51 H new ATOM 0 HG12 ILE A 42 4.379 5.099 -3.904 1.00 12.21 H new ATOM 0 HG13 ILE A 42 4.174 6.638 -4.716 1.00 12.21 H new ATOM 0 HG21 ILE A 42 1.743 4.527 -2.718 1.00 52.34 H new ATOM 0 HG22 ILE A 42 0.799 4.044 -4.148 1.00 52.34 H new ATOM 0 HG23 ILE A 42 2.446 3.413 -3.914 1.00 52.34 H new ATOM 0 HD11 ILE A 42 4.592 6.961 -2.317 1.00 54.45 H new ATOM 0 HD12 ILE A 42 2.962 7.531 -2.746 1.00 54.45 H new ATOM 0 HD13 ILE A 42 3.169 5.967 -1.922 1.00 54.45 H new ATOM 694 N PHE A 43 3.091 2.875 -6.586 1.00 53.32 N ATOM 695 CA PHE A 43 3.988 1.775 -6.922 1.00 11.21 C ATOM 696 C PHE A 43 4.647 2.042 -8.273 1.00 31.12 C ATOM 697 O PHE A 43 5.782 1.644 -8.452 1.00 24.05 O ATOM 698 CB PHE A 43 3.243 0.433 -6.926 1.00 34.01 C ATOM 699 CG PHE A 43 3.207 -0.293 -8.263 1.00 41.41 C ATOM 700 CD1 PHE A 43 2.300 0.122 -9.255 1.00 14.50 C ATOM 701 CD2 PHE A 43 4.116 -1.334 -8.537 1.00 55.42 C ATOM 702 CE1 PHE A 43 2.294 -0.498 -10.516 1.00 24.15 C ATOM 703 CE2 PHE A 43 4.069 -1.990 -9.782 1.00 32.23 C ATOM 704 CZ PHE A 43 3.160 -1.573 -10.769 1.00 61.33 C ATOM 0 H PHE A 43 2.112 2.601 -6.501 1.00 53.32 H new ATOM 0 HA PHE A 43 4.764 1.711 -6.159 1.00 11.21 H new ATOM 0 HB2 PHE A 43 3.707 -0.222 -6.189 1.00 34.01 H new ATOM 0 HB3 PHE A 43 2.218 0.606 -6.598 1.00 34.01 H new ATOM 0 HD1 PHE A 43 1.605 0.921 -9.046 1.00 14.50 H new ATOM 0 HD2 PHE A 43 4.845 -1.627 -7.796 1.00 55.42 H new ATOM 0 HE1 PHE A 43 1.625 -0.148 -11.288 1.00 24.15 H new ATOM 0 HE2 PHE A 43 4.735 -2.817 -9.979 1.00 32.23 H new ATOM 0 HZ PHE A 43 3.128 -2.080 -11.722 1.00 61.33 H new ATOM 714 N ASP A 44 3.948 2.681 -9.212 1.00 20.33 N ATOM 715 CA ASP A 44 4.439 2.979 -10.553 1.00 41.23 C ATOM 716 C ASP A 44 5.614 3.947 -10.488 1.00 21.24 C ATOM 717 O ASP A 44 6.498 3.903 -11.335 1.00 72.23 O ATOM 718 CB ASP A 44 3.278 3.566 -11.366 1.00 75.45 C ATOM 719 CG ASP A 44 3.529 3.549 -12.870 1.00 40.15 C ATOM 720 OD1 ASP A 44 2.960 2.663 -13.552 1.00 32.51 O ATOM 721 OD2 ASP A 44 4.212 4.458 -13.392 1.00 61.44 O ATOM 0 H ASP A 44 2.997 3.014 -9.053 1.00 20.33 H new ATOM 0 HA ASP A 44 4.799 2.070 -11.035 1.00 41.23 H new ATOM 0 HB2 ASP A 44 2.370 3.003 -11.149 1.00 75.45 H new ATOM 0 HB3 ASP A 44 3.101 4.593 -11.045 1.00 75.45 H new ATOM 726 N ASP A 45 5.610 4.844 -9.508 1.00 62.45 N ATOM 727 CA ASP A 45 6.651 5.835 -9.262 1.00 71.22 C ATOM 728 C ASP A 45 7.856 5.198 -8.563 1.00 14.53 C ATOM 729 O ASP A 45 9.007 5.517 -8.850 1.00 4.32 O ATOM 730 CB ASP A 45 6.072 6.949 -8.380 1.00 31.04 C ATOM 731 CG ASP A 45 5.114 7.850 -9.148 1.00 43.12 C ATOM 732 OD1 ASP A 45 5.500 8.972 -9.541 1.00 31.43 O ATOM 733 OD2 ASP A 45 3.924 7.491 -9.292 1.00 23.33 O ATOM 0 H ASP A 45 4.847 4.903 -8.834 1.00 62.45 H new ATOM 0 HA ASP A 45 6.988 6.243 -10.215 1.00 71.22 H new ATOM 0 HB2 ASP A 45 5.550 6.505 -7.532 1.00 31.04 H new ATOM 0 HB3 ASP A 45 6.886 7.549 -7.974 1.00 31.04 H new ATOM 738 N LEU A 46 7.570 4.304 -7.611 1.00 61.42 N ATOM 739 CA LEU A 46 8.495 3.562 -6.757 1.00 24.01 C ATOM 740 C LEU A 46 9.193 2.394 -7.453 1.00 11.43 C ATOM 741 O LEU A 46 10.330 2.059 -7.104 1.00 4.22 O ATOM 742 CB LEU A 46 7.653 3.066 -5.564 1.00 71.32 C ATOM 743 CG LEU A 46 8.347 2.309 -4.417 1.00 32.15 C ATOM 744 CD1 LEU A 46 8.413 0.801 -4.681 1.00 22.41 C ATOM 745 CD2 LEU A 46 9.689 2.911 -4.000 1.00 62.32 C ATOM 0 H LEU A 46 6.601 4.062 -7.403 1.00 61.42 H new ATOM 0 HA LEU A 46 9.313 4.217 -6.456 1.00 24.01 H new ATOM 0 HB2 LEU A 46 7.156 3.934 -5.131 1.00 71.32 H new ATOM 0 HB3 LEU A 46 6.873 2.416 -5.961 1.00 71.32 H new ATOM 0 HG LEU A 46 7.710 2.443 -3.543 1.00 32.15 H new ATOM 0 HD11 LEU A 46 8.910 0.307 -3.846 1.00 22.41 H new ATOM 0 HD12 LEU A 46 7.403 0.406 -4.787 1.00 22.41 H new ATOM 0 HD13 LEU A 46 8.973 0.616 -5.598 1.00 22.41 H new ATOM 0 HD21 LEU A 46 10.115 2.322 -3.188 1.00 62.32 H new ATOM 0 HD22 LEU A 46 10.371 2.903 -4.850 1.00 62.32 H new ATOM 0 HD23 LEU A 46 9.539 3.937 -3.664 1.00 62.32 H new ATOM 757 N ILE A 47 8.531 1.749 -8.413 1.00 4.43 N ATOM 758 CA ILE A 47 9.081 0.610 -9.144 1.00 4.25 C ATOM 759 C ILE A 47 10.391 1.040 -9.822 1.00 23.25 C ATOM 760 O ILE A 47 11.305 0.232 -9.956 1.00 33.02 O ATOM 761 CB ILE A 47 8.044 0.079 -10.161 1.00 0.52 C ATOM 762 CG1 ILE A 47 8.195 -1.418 -10.450 1.00 43.11 C ATOM 763 CG2 ILE A 47 7.973 0.914 -11.446 1.00 24.02 C ATOM 764 CD1 ILE A 47 9.090 -1.777 -11.624 1.00 71.14 C ATOM 0 H ILE A 47 7.589 2.006 -8.707 1.00 4.43 H new ATOM 0 HA ILE A 47 9.303 -0.209 -8.460 1.00 4.25 H new ATOM 0 HB ILE A 47 7.079 0.198 -9.669 1.00 0.52 H new ATOM 0 HG12 ILE A 47 8.587 -1.904 -9.556 1.00 43.11 H new ATOM 0 HG13 ILE A 47 7.205 -1.836 -10.631 1.00 43.11 H new ATOM 0 HG21 ILE A 47 7.227 0.488 -12.116 1.00 24.02 H new ATOM 0 HG22 ILE A 47 7.696 1.939 -11.199 1.00 24.02 H new ATOM 0 HG23 ILE A 47 8.946 0.910 -11.937 1.00 24.02 H new ATOM 0 HD11 ILE A 47 9.125 -2.861 -11.737 1.00 71.14 H new ATOM 0 HD12 ILE A 47 8.692 -1.330 -12.535 1.00 71.14 H new ATOM 0 HD13 ILE A 47 10.096 -1.399 -11.443 1.00 71.14 H new ATOM 776 N ASP A 48 10.507 2.328 -10.169 1.00 73.40 N ATOM 777 CA ASP A 48 11.667 2.918 -10.823 1.00 12.55 C ATOM 778 C ASP A 48 12.912 2.671 -9.973 1.00 72.32 C ATOM 779 O ASP A 48 14.001 2.442 -10.495 1.00 20.14 O ATOM 780 CB ASP A 48 11.475 4.438 -10.998 1.00 25.20 C ATOM 781 CG ASP A 48 10.495 4.835 -12.102 1.00 4.45 C ATOM 782 OD1 ASP A 48 10.753 5.824 -12.830 1.00 4.34 O ATOM 783 OD2 ASP A 48 9.465 4.155 -12.287 1.00 60.34 O ATOM 0 H ASP A 48 9.766 3.006 -9.993 1.00 73.40 H new ATOM 0 HA ASP A 48 11.783 2.457 -11.804 1.00 12.55 H new ATOM 0 HB2 ASP A 48 11.127 4.858 -10.054 1.00 25.20 H new ATOM 0 HB3 ASP A 48 12.443 4.891 -11.211 1.00 25.20 H new ATOM 788 N PHE A 49 12.767 2.716 -8.649 1.00 43.24 N ATOM 789 CA PHE A 49 13.862 2.496 -7.719 1.00 43.41 C ATOM 790 C PHE A 49 14.302 1.030 -7.742 1.00 71.23 C ATOM 791 O PHE A 49 15.448 0.730 -7.413 1.00 24.43 O ATOM 792 CB PHE A 49 13.453 2.942 -6.311 1.00 1.33 C ATOM 793 CG PHE A 49 14.564 3.347 -5.349 1.00 53.04 C ATOM 794 CD1 PHE A 49 14.188 3.791 -4.071 1.00 42.20 C ATOM 795 CD2 PHE A 49 15.926 3.402 -5.715 1.00 71.50 C ATOM 796 CE1 PHE A 49 15.135 4.337 -3.194 1.00 4.04 C ATOM 797 CE2 PHE A 49 16.876 3.952 -4.839 1.00 51.10 C ATOM 798 CZ PHE A 49 16.480 4.422 -3.580 1.00 15.23 C ATOM 0 H PHE A 49 11.875 2.908 -8.193 1.00 43.24 H new ATOM 0 HA PHE A 49 14.717 3.097 -8.027 1.00 43.41 H new ATOM 0 HB2 PHE A 49 12.771 3.786 -6.411 1.00 1.33 H new ATOM 0 HB3 PHE A 49 12.890 2.130 -5.851 1.00 1.33 H new ATOM 0 HD1 PHE A 49 13.157 3.711 -3.760 1.00 42.20 H new ATOM 0 HD2 PHE A 49 16.240 3.019 -6.675 1.00 71.50 H new ATOM 0 HE1 PHE A 49 14.829 4.692 -2.221 1.00 4.04 H new ATOM 0 HE2 PHE A 49 17.913 4.013 -5.136 1.00 51.10 H new ATOM 0 HZ PHE A 49 17.210 4.849 -2.908 1.00 15.23 H new ATOM 808 N TYR A 50 13.387 0.097 -8.014 1.00 72.14 N ATOM 809 CA TYR A 50 13.694 -1.328 -8.082 1.00 23.13 C ATOM 810 C TYR A 50 14.602 -1.591 -9.292 1.00 30.34 C ATOM 811 O TYR A 50 15.454 -2.470 -9.218 1.00 1.45 O ATOM 812 CB TYR A 50 12.410 -2.176 -8.073 1.00 15.44 C ATOM 813 CG TYR A 50 12.372 -3.381 -8.996 1.00 32.13 C ATOM 814 CD1 TYR A 50 12.618 -4.672 -8.497 1.00 43.12 C ATOM 815 CD2 TYR A 50 12.029 -3.216 -10.349 1.00 14.44 C ATOM 816 CE1 TYR A 50 12.496 -5.791 -9.337 1.00 43.34 C ATOM 817 CE2 TYR A 50 11.939 -4.326 -11.205 1.00 52.23 C ATOM 818 CZ TYR A 50 12.177 -5.622 -10.702 1.00 2.35 C ATOM 819 OH TYR A 50 12.091 -6.702 -11.521 1.00 64.33 O ATOM 0 H TYR A 50 12.407 0.313 -8.194 1.00 72.14 H new ATOM 0 HA TYR A 50 14.243 -1.636 -7.192 1.00 23.13 H new ATOM 0 HB2 TYR A 50 12.242 -2.525 -7.054 1.00 15.44 H new ATOM 0 HB3 TYR A 50 11.573 -1.526 -8.330 1.00 15.44 H new ATOM 0 HD1 TYR A 50 12.902 -4.804 -7.463 1.00 43.12 H new ATOM 0 HD2 TYR A 50 11.833 -2.226 -10.734 1.00 14.44 H new ATOM 0 HE1 TYR A 50 12.647 -6.783 -8.938 1.00 43.34 H new ATOM 0 HE2 TYR A 50 11.688 -4.187 -12.246 1.00 52.23 H new ATOM 0 HH TYR A 50 11.862 -6.408 -12.427 1.00 64.33 H new ATOM 829 N GLU A 51 14.470 -0.810 -10.368 1.00 74.12 N ATOM 830 CA GLU A 51 15.277 -0.954 -11.583 1.00 5.21 C ATOM 831 C GLU A 51 16.702 -0.404 -11.404 1.00 31.34 C ATOM 832 O GLU A 51 17.556 -0.579 -12.271 1.00 73.40 O ATOM 833 CB GLU A 51 14.565 -0.286 -12.769 1.00 12.23 C ATOM 834 CG GLU A 51 13.206 -0.956 -13.019 1.00 2.23 C ATOM 835 CD GLU A 51 12.652 -0.716 -14.419 1.00 43.21 C ATOM 836 OE1 GLU A 51 11.437 -0.414 -14.523 1.00 44.21 O ATOM 837 OE2 GLU A 51 13.339 -0.991 -15.423 1.00 12.21 O ATOM 0 H GLU A 51 13.791 -0.050 -10.420 1.00 74.12 H new ATOM 0 HA GLU A 51 15.382 -2.019 -11.790 1.00 5.21 H new ATOM 0 HB2 GLU A 51 14.423 0.776 -12.566 1.00 12.23 H new ATOM 0 HB3 GLU A 51 15.185 -0.360 -13.663 1.00 12.23 H new ATOM 0 HG2 GLU A 51 13.305 -2.029 -12.856 1.00 2.23 H new ATOM 0 HG3 GLU A 51 12.489 -0.587 -12.286 1.00 2.23 H new ATOM 844 N ARG A 52 16.973 0.285 -10.293 1.00 13.14 N ATOM 845 CA ARG A 52 18.291 0.845 -9.976 1.00 21.01 C ATOM 846 C ARG A 52 19.113 -0.171 -9.183 1.00 43.32 C ATOM 847 O ARG A 52 20.329 -0.023 -9.031 1.00 31.12 O ATOM 848 CB ARG A 52 18.114 2.117 -9.135 1.00 13.25 C ATOM 849 CG ARG A 52 17.359 3.226 -9.885 1.00 25.02 C ATOM 850 CD ARG A 52 18.282 4.119 -10.718 1.00 10.04 C ATOM 851 NE ARG A 52 18.793 5.239 -9.913 1.00 35.35 N ATOM 852 CZ ARG A 52 18.468 6.534 -10.004 1.00 71.42 C ATOM 853 NH1 ARG A 52 17.631 6.977 -10.937 1.00 32.11 N ATOM 854 NH2 ARG A 52 18.992 7.374 -9.123 1.00 71.11 N ATOM 0 H ARG A 52 16.272 0.473 -9.576 1.00 13.14 H new ATOM 0 HA ARG A 52 18.811 1.083 -10.904 1.00 21.01 H new ATOM 0 HB2 ARG A 52 17.574 1.870 -8.221 1.00 13.25 H new ATOM 0 HB3 ARG A 52 19.094 2.489 -8.836 1.00 13.25 H new ATOM 0 HG2 ARG A 52 16.614 2.773 -10.539 1.00 25.02 H new ATOM 0 HG3 ARG A 52 16.819 3.842 -9.165 1.00 25.02 H new ATOM 0 HD2 ARG A 52 19.116 3.531 -11.101 1.00 10.04 H new ATOM 0 HD3 ARG A 52 17.740 4.504 -11.582 1.00 10.04 H new ATOM 0 HE ARG A 52 19.479 4.999 -9.198 1.00 35.35 H new ATOM 0 HH11 ARG A 52 17.220 6.325 -11.605 1.00 32.11 H new ATOM 0 HH12 ARG A 52 17.400 7.969 -10.985 1.00 32.11 H new ATOM 0 HH21 ARG A 52 19.624 7.027 -8.401 1.00 71.11 H new ATOM 0 HH22 ARG A 52 18.763 8.367 -9.167 1.00 71.11 H new ATOM 868 N LEU A 53 18.449 -1.181 -8.624 1.00 54.14 N ATOM 869 CA LEU A 53 19.053 -2.228 -7.834 1.00 35.42 C ATOM 870 C LEU A 53 19.938 -3.111 -8.690 1.00 41.20 C ATOM 871 O LEU A 53 19.550 -3.538 -9.777 1.00 32.23 O ATOM 872 CB LEU A 53 17.969 -3.044 -7.115 1.00 71.35 C ATOM 873 CG LEU A 53 16.980 -2.151 -6.349 1.00 2.12 C ATOM 874 CD1 LEU A 53 15.941 -3.009 -5.628 1.00 23.42 C ATOM 875 CD2 LEU A 53 17.672 -1.157 -5.408 1.00 11.04 C ATOM 0 H LEU A 53 17.439 -1.288 -8.718 1.00 54.14 H new ATOM 0 HA LEU A 53 19.689 -1.770 -7.076 1.00 35.42 H new ATOM 0 HB2 LEU A 53 17.424 -3.643 -7.845 1.00 71.35 H new ATOM 0 HB3 LEU A 53 18.441 -3.739 -6.420 1.00 71.35 H new ATOM 0 HG LEU A 53 16.462 -1.533 -7.082 1.00 2.12 H new ATOM 0 HD11 LEU A 53 15.247 -2.364 -5.089 1.00 23.42 H new ATOM 0 HD12 LEU A 53 15.392 -3.605 -6.357 1.00 23.42 H new ATOM 0 HD13 LEU A 53 16.442 -3.671 -4.922 1.00 23.42 H new ATOM 0 HD21 LEU A 53 16.920 -0.556 -4.897 1.00 11.04 H new ATOM 0 HD22 LEU A 53 18.262 -1.703 -4.672 1.00 11.04 H new ATOM 0 HD23 LEU A 53 18.327 -0.504 -5.986 1.00 11.04 H new ATOM 887 N ASP A 54 21.124 -3.394 -8.160 1.00 3.55 N ATOM 888 CA ASP A 54 22.132 -4.230 -8.796 1.00 24.11 C ATOM 889 C ASP A 54 21.672 -5.686 -8.826 1.00 62.42 C ATOM 890 O ASP A 54 22.092 -6.454 -9.688 1.00 13.13 O ATOM 891 CB ASP A 54 23.436 -4.116 -7.994 1.00 22.14 C ATOM 892 CG ASP A 54 24.578 -4.931 -8.605 1.00 54.40 C ATOM 893 OD1 ASP A 54 24.969 -4.644 -9.761 1.00 14.32 O ATOM 894 OD2 ASP A 54 25.148 -5.807 -7.911 1.00 53.05 O ATOM 0 H ASP A 54 21.417 -3.037 -7.250 1.00 3.55 H new ATOM 0 HA ASP A 54 22.289 -3.897 -9.822 1.00 24.11 H new ATOM 0 HB2 ASP A 54 23.732 -3.069 -7.937 1.00 22.14 H new ATOM 0 HB3 ASP A 54 23.260 -4.453 -6.973 1.00 22.14 H new ATOM 899 N THR A 55 20.822 -6.090 -7.877 1.00 13.33 N ATOM 900 CA THR A 55 20.306 -7.449 -7.782 1.00 13.34 C ATOM 901 C THR A 55 18.983 -7.478 -7.009 1.00 62.11 C ATOM 902 O THR A 55 18.969 -7.911 -5.855 1.00 74.14 O ATOM 903 CB THR A 55 21.375 -8.456 -7.332 1.00 24.44 C ATOM 904 OG1 THR A 55 20.836 -9.710 -6.966 1.00 20.11 O ATOM 905 CG2 THR A 55 22.165 -7.877 -6.188 1.00 23.24 C ATOM 0 H THR A 55 20.472 -5.471 -7.146 1.00 13.33 H new ATOM 0 HA THR A 55 20.051 -7.802 -8.781 1.00 13.34 H new ATOM 0 HB THR A 55 22.026 -8.636 -8.187 1.00 24.44 H new ATOM 0 HG1 THR A 55 21.561 -10.310 -6.691 1.00 20.11 H new ATOM 0 HG21 THR A 55 22.923 -8.593 -5.870 1.00 23.24 H new ATOM 0 HG22 THR A 55 22.649 -6.955 -6.510 1.00 23.24 H new ATOM 0 HG23 THR A 55 21.495 -7.663 -5.355 1.00 23.24 H new ATOM 913 N PRO A 56 17.870 -7.026 -7.612 1.00 1.40 N ATOM 914 CA PRO A 56 16.570 -7.036 -6.960 1.00 20.55 C ATOM 915 C PRO A 56 16.172 -8.502 -6.703 1.00 1.23 C ATOM 916 O PRO A 56 15.959 -9.236 -7.671 1.00 70.42 O ATOM 917 CB PRO A 56 15.623 -6.346 -7.937 1.00 2.30 C ATOM 918 CG PRO A 56 16.292 -6.446 -9.302 1.00 33.20 C ATOM 919 CD PRO A 56 17.776 -6.490 -8.965 1.00 22.24 C ATOM 0 HA PRO A 56 16.555 -6.523 -5.999 1.00 20.55 H new ATOM 0 HB2 PRO A 56 14.646 -6.830 -7.943 1.00 2.30 H new ATOM 0 HB3 PRO A 56 15.461 -5.305 -7.656 1.00 2.30 H new ATOM 0 HG2 PRO A 56 15.975 -7.339 -9.840 1.00 33.20 H new ATOM 0 HG3 PRO A 56 16.048 -5.591 -9.933 1.00 33.20 H new ATOM 0 HD2 PRO A 56 18.317 -7.119 -9.672 1.00 22.24 H new ATOM 0 HD3 PRO A 56 18.218 -5.495 -9.021 1.00 22.24 H new ATOM 927 N PRO A 57 16.023 -8.958 -5.447 1.00 21.32 N ATOM 928 CA PRO A 57 15.681 -10.350 -5.178 1.00 64.21 C ATOM 929 C PRO A 57 14.212 -10.724 -5.424 1.00 31.03 C ATOM 930 O PRO A 57 13.902 -11.912 -5.535 1.00 14.11 O ATOM 931 CB PRO A 57 16.066 -10.558 -3.710 1.00 73.22 C ATOM 932 CG PRO A 57 15.884 -9.180 -3.075 1.00 51.13 C ATOM 933 CD PRO A 57 16.239 -8.219 -4.207 1.00 53.34 C ATOM 0 HA PRO A 57 16.213 -11.000 -5.872 1.00 64.21 H new ATOM 0 HB2 PRO A 57 15.429 -11.303 -3.233 1.00 73.22 H new ATOM 0 HB3 PRO A 57 17.094 -10.908 -3.614 1.00 73.22 H new ATOM 0 HG2 PRO A 57 14.862 -9.030 -2.726 1.00 51.13 H new ATOM 0 HG3 PRO A 57 16.538 -9.045 -2.213 1.00 51.13 H new ATOM 0 HD2 PRO A 57 15.614 -7.327 -4.171 1.00 53.34 H new ATOM 0 HD3 PRO A 57 17.274 -7.887 -4.126 1.00 53.34 H new ATOM 941 N PHE A 58 13.293 -9.755 -5.423 1.00 33.42 N ATOM 942 CA PHE A 58 11.861 -9.969 -5.630 1.00 51.40 C ATOM 943 C PHE A 58 11.401 -9.622 -7.051 1.00 30.24 C ATOM 944 O PHE A 58 12.109 -8.939 -7.792 1.00 2.54 O ATOM 945 CB PHE A 58 11.094 -9.135 -4.593 1.00 23.32 C ATOM 946 CG PHE A 58 11.458 -7.661 -4.603 1.00 3.33 C ATOM 947 CD1 PHE A 58 12.483 -7.170 -3.769 1.00 14.10 C ATOM 948 CD2 PHE A 58 10.813 -6.786 -5.492 1.00 14.55 C ATOM 949 CE1 PHE A 58 12.869 -5.821 -3.834 1.00 55.33 C ATOM 950 CE2 PHE A 58 11.196 -5.439 -5.554 1.00 51.33 C ATOM 951 CZ PHE A 58 12.226 -4.954 -4.733 1.00 61.43 C ATOM 0 H PHE A 58 13.532 -8.775 -5.274 1.00 33.42 H new ATOM 0 HA PHE A 58 11.653 -11.031 -5.502 1.00 51.40 H new ATOM 0 HB2 PHE A 58 10.025 -9.237 -4.777 1.00 23.32 H new ATOM 0 HB3 PHE A 58 11.286 -9.541 -3.600 1.00 23.32 H new ATOM 0 HD1 PHE A 58 12.975 -7.836 -3.075 1.00 14.10 H new ATOM 0 HD2 PHE A 58 10.021 -7.151 -6.129 1.00 14.55 H new ATOM 0 HE1 PHE A 58 13.657 -5.452 -3.195 1.00 55.33 H new ATOM 0 HE2 PHE A 58 10.695 -4.770 -6.238 1.00 51.33 H new ATOM 0 HZ PHE A 58 12.523 -3.917 -4.792 1.00 61.43 H new ATOM 961 N SER A 59 10.218 -10.108 -7.442 1.00 11.11 N ATOM 962 CA SER A 59 9.608 -9.844 -8.744 1.00 30.34 C ATOM 963 C SER A 59 8.725 -8.588 -8.690 1.00 30.42 C ATOM 964 O SER A 59 8.320 -8.140 -7.610 1.00 62.24 O ATOM 965 CB SER A 59 8.806 -11.069 -9.202 1.00 4.21 C ATOM 966 OG SER A 59 7.607 -11.177 -8.463 1.00 2.30 O ATOM 0 H SER A 59 9.648 -10.709 -6.847 1.00 11.11 H new ATOM 0 HA SER A 59 10.397 -9.657 -9.472 1.00 30.34 H new ATOM 0 HB2 SER A 59 8.579 -10.987 -10.265 1.00 4.21 H new ATOM 0 HB3 SER A 59 9.403 -11.972 -9.073 1.00 4.21 H new ATOM 0 HG SER A 59 7.105 -11.962 -8.767 1.00 2.30 H new ATOM 972 N LYS A 60 8.343 -8.053 -9.856 1.00 23.41 N ATOM 973 CA LYS A 60 7.472 -6.875 -9.928 1.00 1.31 C ATOM 974 C LYS A 60 6.113 -7.204 -9.314 1.00 21.40 C ATOM 975 O LYS A 60 5.645 -6.509 -8.411 1.00 22.12 O ATOM 976 CB LYS A 60 7.293 -6.389 -11.374 1.00 25.40 C ATOM 977 CG LYS A 60 8.611 -5.909 -11.995 1.00 2.30 C ATOM 978 CD LYS A 60 8.448 -5.433 -13.444 1.00 24.13 C ATOM 979 CE LYS A 60 7.434 -4.282 -13.552 1.00 3.21 C ATOM 980 NZ LYS A 60 7.697 -3.369 -14.683 1.00 13.11 N ATOM 0 H LYS A 60 8.625 -8.419 -10.765 1.00 23.41 H new ATOM 0 HA LYS A 60 7.945 -6.070 -9.366 1.00 1.31 H new ATOM 0 HB2 LYS A 60 6.883 -7.198 -11.978 1.00 25.40 H new ATOM 0 HB3 LYS A 60 6.567 -5.576 -11.394 1.00 25.40 H new ATOM 0 HG2 LYS A 60 9.015 -5.095 -11.393 1.00 2.30 H new ATOM 0 HG3 LYS A 60 9.338 -6.720 -11.964 1.00 2.30 H new ATOM 0 HD2 LYS A 60 9.413 -5.106 -13.831 1.00 24.13 H new ATOM 0 HD3 LYS A 60 8.121 -6.266 -14.066 1.00 24.13 H new ATOM 0 HE2 LYS A 60 6.433 -4.699 -13.658 1.00 3.21 H new ATOM 0 HE3 LYS A 60 7.445 -3.710 -12.624 1.00 3.21 H new ATOM 0 HZ1 LYS A 60 6.978 -2.618 -14.697 1.00 13.11 H new ATOM 0 HZ2 LYS A 60 8.640 -2.944 -14.574 1.00 13.11 H new ATOM 0 HZ3 LYS A 60 7.659 -3.902 -15.575 1.00 13.11 H new ATOM 994 N LYS A 61 5.471 -8.286 -9.782 1.00 0.42 N ATOM 995 CA LYS A 61 4.172 -8.670 -9.239 1.00 62.10 C ATOM 996 C LYS A 61 4.270 -8.912 -7.743 1.00 50.20 C ATOM 997 O LYS A 61 3.324 -8.544 -7.064 1.00 14.13 O ATOM 998 CB LYS A 61 3.554 -9.880 -9.949 1.00 2.40 C ATOM 999 CG LYS A 61 2.774 -9.439 -11.192 1.00 21.11 C ATOM 1000 CD LYS A 61 2.056 -10.631 -11.836 1.00 35.24 C ATOM 1001 CE LYS A 61 1.072 -10.199 -12.927 1.00 12.04 C ATOM 1002 NZ LYS A 61 1.723 -9.430 -13.998 1.00 41.43 N ATOM 0 H LYS A 61 5.826 -8.895 -10.519 1.00 0.42 H new ATOM 0 HA LYS A 61 3.498 -7.833 -9.422 1.00 62.10 H new ATOM 0 HB2 LYS A 61 4.339 -10.580 -10.236 1.00 2.40 H new ATOM 0 HB3 LYS A 61 2.890 -10.409 -9.265 1.00 2.40 H new ATOM 0 HG2 LYS A 61 2.046 -8.675 -10.918 1.00 21.11 H new ATOM 0 HG3 LYS A 61 3.455 -8.986 -11.913 1.00 21.11 H new ATOM 0 HD2 LYS A 61 2.795 -11.309 -12.264 1.00 35.24 H new ATOM 0 HD3 LYS A 61 1.520 -11.188 -11.067 1.00 35.24 H new ATOM 0 HE2 LYS A 61 0.598 -11.082 -13.355 1.00 12.04 H new ATOM 0 HE3 LYS A 61 0.281 -9.597 -12.481 1.00 12.04 H new ATOM 0 HZ1 LYS A 61 1.039 -9.248 -14.760 1.00 41.43 H new ATOM 0 HZ2 LYS A 61 2.065 -8.525 -13.617 1.00 41.43 H new ATOM 0 HZ3 LYS A 61 2.526 -9.972 -14.376 1.00 41.43 H new ATOM 1016 N SER A 62 5.366 -9.465 -7.222 1.00 41.31 N ATOM 1017 CA SER A 62 5.519 -9.697 -5.795 1.00 23.50 C ATOM 1018 C SER A 62 5.450 -8.360 -5.048 1.00 41.41 C ATOM 1019 O SER A 62 4.636 -8.235 -4.130 1.00 71.50 O ATOM 1020 CB SER A 62 6.823 -10.476 -5.587 1.00 72.35 C ATOM 1021 OG SER A 62 7.153 -10.762 -4.247 1.00 54.12 O ATOM 0 H SER A 62 6.167 -9.762 -7.779 1.00 41.31 H new ATOM 0 HA SER A 62 4.711 -10.301 -5.381 1.00 23.50 H new ATOM 0 HB2 SER A 62 6.755 -11.416 -6.135 1.00 72.35 H new ATOM 0 HB3 SER A 62 7.640 -9.907 -6.030 1.00 72.35 H new ATOM 0 HG SER A 62 7.996 -11.261 -4.217 1.00 54.12 H new ATOM 1027 N LEU A 63 6.241 -7.355 -5.460 1.00 44.35 N ATOM 1028 CA LEU A 63 6.256 -6.029 -4.835 1.00 44.32 C ATOM 1029 C LEU A 63 4.845 -5.439 -4.825 1.00 40.40 C ATOM 1030 O LEU A 63 4.319 -5.097 -3.763 1.00 53.44 O ATOM 1031 CB LEU A 63 7.265 -5.095 -5.548 1.00 75.04 C ATOM 1032 CG LEU A 63 7.339 -3.673 -4.927 1.00 43.12 C ATOM 1033 CD1 LEU A 63 8.749 -3.297 -4.477 1.00 25.05 C ATOM 1034 CD2 LEU A 63 6.889 -2.559 -5.884 1.00 11.21 C ATOM 0 H LEU A 63 6.891 -7.444 -6.241 1.00 44.35 H new ATOM 0 HA LEU A 63 6.586 -6.128 -3.801 1.00 44.32 H new ATOM 0 HB2 LEU A 63 8.255 -5.550 -5.514 1.00 75.04 H new ATOM 0 HB3 LEU A 63 6.989 -5.010 -6.599 1.00 75.04 H new ATOM 0 HG LEU A 63 6.659 -3.738 -4.078 1.00 43.12 H new ATOM 0 HD11 LEU A 63 8.740 -2.294 -4.051 1.00 25.05 H new ATOM 0 HD12 LEU A 63 9.092 -4.007 -3.725 1.00 25.05 H new ATOM 0 HD13 LEU A 63 9.423 -3.322 -5.333 1.00 25.05 H new ATOM 0 HD21 LEU A 63 6.968 -1.595 -5.382 1.00 11.21 H new ATOM 0 HD22 LEU A 63 7.525 -2.561 -6.769 1.00 11.21 H new ATOM 0 HD23 LEU A 63 5.854 -2.730 -6.181 1.00 11.21 H new ATOM 1046 N ARG A 64 4.189 -5.374 -5.988 1.00 32.34 N ATOM 1047 CA ARG A 64 2.848 -4.804 -6.065 1.00 4.41 C ATOM 1048 C ARG A 64 1.774 -5.622 -5.361 1.00 62.51 C ATOM 1049 O ARG A 64 0.892 -5.036 -4.735 1.00 51.44 O ATOM 1050 CB ARG A 64 2.474 -4.545 -7.533 1.00 34.15 C ATOM 1051 CG ARG A 64 1.172 -3.739 -7.703 1.00 70.43 C ATOM 1052 CD ARG A 64 1.123 -2.519 -6.769 1.00 73.41 C ATOM 1053 NE ARG A 64 0.175 -1.487 -7.198 1.00 14.53 N ATOM 1054 CZ ARG A 64 -0.224 -0.447 -6.455 1.00 32.12 C ATOM 1055 NH1 ARG A 64 0.148 -0.350 -5.179 1.00 70.53 N ATOM 1056 NH2 ARG A 64 -0.967 0.509 -6.993 1.00 22.03 N ATOM 0 H ARG A 64 4.563 -5.706 -6.877 1.00 32.34 H new ATOM 0 HA ARG A 64 2.885 -3.861 -5.519 1.00 4.41 H new ATOM 0 HB2 ARG A 64 3.290 -4.009 -8.018 1.00 34.15 H new ATOM 0 HB3 ARG A 64 2.370 -5.500 -8.047 1.00 34.15 H new ATOM 0 HG2 ARG A 64 1.084 -3.407 -8.738 1.00 70.43 H new ATOM 0 HG3 ARG A 64 0.317 -4.385 -7.501 1.00 70.43 H new ATOM 0 HD2 ARG A 64 0.856 -2.851 -5.766 1.00 73.41 H new ATOM 0 HD3 ARG A 64 2.119 -2.081 -6.705 1.00 73.41 H new ATOM 0 HE ARG A 64 -0.212 -1.567 -8.138 1.00 14.53 H new ATOM 0 HH11 ARG A 64 0.739 -1.070 -4.764 1.00 70.53 H new ATOM 0 HH12 ARG A 64 -0.159 0.444 -4.617 1.00 70.53 H new ATOM 0 HH21 ARG A 64 -1.236 0.454 -7.975 1.00 22.03 H new ATOM 0 HH22 ARG A 64 -1.270 1.300 -6.425 1.00 22.03 H new ATOM 1070 N GLU A 65 1.794 -6.948 -5.471 1.00 20.13 N ATOM 1071 CA GLU A 65 0.802 -7.812 -4.845 1.00 52.21 C ATOM 1072 C GLU A 65 0.797 -7.593 -3.347 1.00 61.52 C ATOM 1073 O GLU A 65 -0.264 -7.507 -2.726 1.00 74.22 O ATOM 1074 CB GLU A 65 1.104 -9.288 -5.150 1.00 55.02 C ATOM 1075 CG GLU A 65 0.050 -10.230 -4.566 1.00 65.33 C ATOM 1076 CD GLU A 65 0.269 -11.641 -5.092 1.00 30.41 C ATOM 1077 OE1 GLU A 65 1.091 -12.378 -4.508 1.00 23.11 O ATOM 1078 OE2 GLU A 65 -0.389 -12.002 -6.099 1.00 22.11 O ATOM 0 H GLU A 65 2.504 -7.454 -6.000 1.00 20.13 H new ATOM 0 HA GLU A 65 -0.179 -7.562 -5.250 1.00 52.21 H new ATOM 0 HB2 GLU A 65 1.157 -9.430 -6.229 1.00 55.02 H new ATOM 0 HB3 GLU A 65 2.083 -9.547 -4.746 1.00 55.02 H new ATOM 0 HG2 GLU A 65 0.108 -10.225 -3.478 1.00 65.33 H new ATOM 0 HG3 GLU A 65 -0.948 -9.884 -4.833 1.00 65.33 H new ATOM 1085 N ALA A 66 1.994 -7.529 -2.772 1.00 41.40 N ATOM 1086 CA ALA A 66 2.152 -7.320 -1.361 1.00 31.33 C ATOM 1087 C ALA A 66 1.614 -5.940 -0.978 1.00 43.14 C ATOM 1088 O ALA A 66 0.764 -5.866 -0.090 1.00 74.32 O ATOM 1089 CB ALA A 66 3.614 -7.530 -1.006 1.00 21.21 C ATOM 0 H ALA A 66 2.873 -7.622 -3.282 1.00 41.40 H new ATOM 0 HA ALA A 66 1.571 -8.037 -0.782 1.00 31.33 H new ATOM 0 HB1 ALA A 66 3.754 -7.375 0.064 1.00 21.21 H new ATOM 0 HB2 ALA A 66 3.910 -8.546 -1.268 1.00 21.21 H new ATOM 0 HB3 ALA A 66 4.228 -6.820 -1.559 1.00 21.21 H new ATOM 1095 N LEU A 67 2.045 -4.877 -1.671 1.00 24.14 N ATOM 1096 CA LEU A 67 1.631 -3.493 -1.413 1.00 5.23 C ATOM 1097 C LEU A 67 0.103 -3.353 -1.473 1.00 33.31 C ATOM 1098 O LEU A 67 -0.489 -2.701 -0.613 1.00 32.02 O ATOM 1099 CB LEU A 67 2.319 -2.554 -2.430 1.00 54.15 C ATOM 1100 CG LEU A 67 2.756 -1.186 -1.870 1.00 50.41 C ATOM 1101 CD1 LEU A 67 3.421 -0.390 -2.999 1.00 61.25 C ATOM 1102 CD2 LEU A 67 1.624 -0.337 -1.291 1.00 2.22 C ATOM 0 H LEU A 67 2.706 -4.958 -2.444 1.00 24.14 H new ATOM 0 HA LEU A 67 1.940 -3.211 -0.406 1.00 5.23 H new ATOM 0 HB2 LEU A 67 3.196 -3.061 -2.832 1.00 54.15 H new ATOM 0 HB3 LEU A 67 1.637 -2.386 -3.264 1.00 54.15 H new ATOM 0 HG LEU A 67 3.433 -1.401 -1.043 1.00 50.41 H new ATOM 0 HD11 LEU A 67 3.737 0.582 -2.621 1.00 61.25 H new ATOM 0 HD12 LEU A 67 4.289 -0.936 -3.367 1.00 61.25 H new ATOM 0 HD13 LEU A 67 2.710 -0.249 -3.813 1.00 61.25 H new ATOM 0 HD21 LEU A 67 2.028 0.606 -0.922 1.00 2.22 H new ATOM 0 HD22 LEU A 67 0.886 -0.136 -2.068 1.00 2.22 H new ATOM 0 HD23 LEU A 67 1.150 -0.874 -0.470 1.00 2.22 H new ATOM 1114 N SER A 68 -0.548 -4.012 -2.436 1.00 74.14 N ATOM 1115 CA SER A 68 -2.000 -3.985 -2.621 1.00 31.44 C ATOM 1116 C SER A 68 -2.735 -4.380 -1.329 1.00 21.41 C ATOM 1117 O SER A 68 -3.851 -3.917 -1.088 1.00 72.42 O ATOM 1118 CB SER A 68 -2.371 -4.924 -3.786 1.00 40.21 C ATOM 1119 OG SER A 68 -3.704 -4.733 -4.229 1.00 73.22 O ATOM 0 H SER A 68 -0.068 -4.592 -3.124 1.00 74.14 H new ATOM 0 HA SER A 68 -2.314 -2.970 -2.863 1.00 31.44 H new ATOM 0 HB2 SER A 68 -1.687 -4.755 -4.617 1.00 40.21 H new ATOM 0 HB3 SER A 68 -2.240 -5.959 -3.471 1.00 40.21 H new ATOM 0 HG SER A 68 -3.894 -5.347 -4.968 1.00 73.22 H new ATOM 1125 N TYR A 69 -2.137 -5.258 -0.520 1.00 22.04 N ATOM 1126 CA TYR A 69 -2.695 -5.737 0.735 1.00 42.31 C ATOM 1127 C TYR A 69 -2.646 -4.665 1.819 1.00 54.23 C ATOM 1128 O TYR A 69 -3.600 -4.552 2.578 1.00 30.52 O ATOM 1129 CB TYR A 69 -1.916 -6.973 1.192 1.00 3.44 C ATOM 1130 CG TYR A 69 -2.748 -8.205 1.442 1.00 55.51 C ATOM 1131 CD1 TYR A 69 -2.821 -8.773 2.726 1.00 21.10 C ATOM 1132 CD2 TYR A 69 -3.399 -8.819 0.358 1.00 1.43 C ATOM 1133 CE1 TYR A 69 -3.545 -9.957 2.933 1.00 1.11 C ATOM 1134 CE2 TYR A 69 -4.129 -9.999 0.560 1.00 32.24 C ATOM 1135 CZ TYR A 69 -4.197 -10.575 1.846 1.00 2.40 C ATOM 1136 OH TYR A 69 -4.816 -11.767 2.016 1.00 15.21 O ATOM 0 H TYR A 69 -1.225 -5.663 -0.731 1.00 22.04 H new ATOM 0 HA TYR A 69 -3.742 -5.991 0.569 1.00 42.31 H new ATOM 0 HB2 TYR A 69 -1.166 -7.209 0.437 1.00 3.44 H new ATOM 0 HB3 TYR A 69 -1.379 -6.725 2.108 1.00 3.44 H new ATOM 0 HD1 TYR A 69 -2.319 -8.297 3.555 1.00 21.10 H new ATOM 0 HD2 TYR A 69 -3.337 -8.383 -0.628 1.00 1.43 H new ATOM 0 HE1 TYR A 69 -3.603 -10.393 3.920 1.00 1.11 H new ATOM 0 HE2 TYR A 69 -4.639 -10.467 -0.269 1.00 32.24 H new ATOM 0 HH TYR A 69 -5.216 -12.052 1.168 1.00 15.21 H new ATOM 1146 N TYR A 70 -1.555 -3.898 1.942 1.00 43.44 N ATOM 1147 CA TYR A 70 -1.462 -2.855 2.970 1.00 64.12 C ATOM 1148 C TYR A 70 -2.597 -1.863 2.774 1.00 53.20 C ATOM 1149 O TYR A 70 -3.312 -1.532 3.724 1.00 71.11 O ATOM 1150 CB TYR A 70 -0.091 -2.158 2.957 1.00 41.41 C ATOM 1151 CG TYR A 70 0.913 -2.730 3.940 1.00 1.15 C ATOM 1152 CD1 TYR A 70 0.969 -4.115 4.182 1.00 33.11 C ATOM 1153 CD2 TYR A 70 1.800 -1.872 4.620 1.00 11.24 C ATOM 1154 CE1 TYR A 70 1.909 -4.641 5.079 1.00 13.10 C ATOM 1155 CE2 TYR A 70 2.750 -2.395 5.517 1.00 54.35 C ATOM 1156 CZ TYR A 70 2.816 -3.788 5.741 1.00 33.11 C ATOM 1157 OH TYR A 70 3.701 -4.332 6.619 1.00 32.32 O ATOM 0 H TYR A 70 -0.731 -3.979 1.347 1.00 43.44 H new ATOM 0 HA TYR A 70 -1.557 -3.318 3.952 1.00 64.12 H new ATOM 0 HB2 TYR A 70 0.326 -2.222 1.952 1.00 41.41 H new ATOM 0 HB3 TYR A 70 -0.233 -1.100 3.176 1.00 41.41 H new ATOM 0 HD1 TYR A 70 0.284 -4.777 3.674 1.00 33.11 H new ATOM 0 HD2 TYR A 70 1.751 -0.806 4.452 1.00 11.24 H new ATOM 0 HE1 TYR A 70 1.939 -5.705 5.264 1.00 13.10 H new ATOM 0 HE2 TYR A 70 3.428 -1.732 6.034 1.00 54.35 H new ATOM 0 HH TYR A 70 3.626 -3.876 7.483 1.00 32.32 H new ATOM 1167 N SER A 71 -2.823 -1.454 1.531 1.00 25.10 N ATOM 1168 CA SER A 71 -3.895 -0.518 1.216 1.00 22.14 C ATOM 1169 C SER A 71 -5.298 -1.147 1.231 1.00 33.14 C ATOM 1170 O SER A 71 -6.286 -0.472 0.930 1.00 42.21 O ATOM 1171 CB SER A 71 -3.574 0.214 -0.070 1.00 24.21 C ATOM 1172 OG SER A 71 -3.159 -0.647 -1.119 1.00 43.21 O ATOM 0 H SER A 71 -2.277 -1.756 0.724 1.00 25.10 H new ATOM 0 HA SER A 71 -3.940 0.215 2.021 1.00 22.14 H new ATOM 0 HB2 SER A 71 -4.454 0.770 -0.393 1.00 24.21 H new ATOM 0 HB3 SER A 71 -2.789 0.945 0.123 1.00 24.21 H new ATOM 0 HG SER A 71 -2.968 -0.117 -1.921 1.00 43.21 H new ATOM 1178 N ALA A 72 -5.389 -2.448 1.497 1.00 42.01 N ATOM 1179 CA ALA A 72 -6.610 -3.227 1.609 1.00 14.02 C ATOM 1180 C ALA A 72 -6.677 -3.813 3.029 1.00 3.31 C ATOM 1181 O ALA A 72 -7.464 -4.736 3.265 1.00 33.20 O ATOM 1182 CB ALA A 72 -6.660 -4.307 0.522 1.00 30.14 C ATOM 0 H ALA A 72 -4.557 -3.018 1.649 1.00 42.01 H new ATOM 0 HA ALA A 72 -7.486 -2.598 1.452 1.00 14.02 H new ATOM 0 HB1 ALA A 72 -7.581 -4.881 0.621 1.00 30.14 H new ATOM 0 HB2 ALA A 72 -6.630 -3.836 -0.461 1.00 30.14 H new ATOM 0 HB3 ALA A 72 -5.804 -4.973 0.631 1.00 30.14 H new ATOM 1188 N SER A 73 -5.823 -3.336 3.947 1.00 5.23 N ATOM 1189 CA SER A 73 -5.802 -3.842 5.324 1.00 71.13 C ATOM 1190 C SER A 73 -7.072 -3.399 6.064 1.00 0.43 C ATOM 1191 O SER A 73 -7.674 -2.393 5.673 1.00 41.52 O ATOM 1192 CB SER A 73 -4.502 -3.436 6.037 1.00 20.13 C ATOM 1193 OG SER A 73 -4.338 -2.038 6.130 1.00 22.33 O ATOM 0 H SER A 73 -5.140 -2.602 3.759 1.00 5.23 H new ATOM 0 HA SER A 73 -5.807 -4.932 5.315 1.00 71.13 H new ATOM 0 HB2 SER A 73 -4.495 -3.865 7.039 1.00 20.13 H new ATOM 0 HB3 SER A 73 -3.653 -3.861 5.502 1.00 20.13 H new ATOM 0 HG SER A 73 -4.173 -1.668 5.238 1.00 22.33 H new ATOM 1199 N PRO A 74 -7.490 -4.078 7.151 1.00 52.24 N ATOM 1200 CA PRO A 74 -8.699 -3.691 7.862 1.00 20.33 C ATOM 1201 C PRO A 74 -8.552 -2.292 8.438 1.00 23.42 C ATOM 1202 O PRO A 74 -9.435 -1.464 8.248 1.00 50.33 O ATOM 1203 CB PRO A 74 -8.916 -4.734 8.965 1.00 74.33 C ATOM 1204 CG PRO A 74 -7.528 -5.319 9.170 1.00 22.24 C ATOM 1205 CD PRO A 74 -6.913 -5.263 7.770 1.00 40.01 C ATOM 0 HA PRO A 74 -9.560 -3.663 7.194 1.00 20.33 H new ATOM 0 HB2 PRO A 74 -9.300 -4.280 9.878 1.00 74.33 H new ATOM 0 HB3 PRO A 74 -9.633 -5.497 8.662 1.00 74.33 H new ATOM 0 HG2 PRO A 74 -6.948 -4.738 9.888 1.00 22.24 H new ATOM 0 HG3 PRO A 74 -7.574 -6.340 9.549 1.00 22.24 H new ATOM 0 HD2 PRO A 74 -5.826 -5.193 7.819 1.00 40.01 H new ATOM 0 HD3 PRO A 74 -7.149 -6.161 7.199 1.00 40.01 H new ATOM 1213 N ALA A 75 -7.429 -2.012 9.104 1.00 32.55 N ATOM 1214 CA ALA A 75 -7.180 -0.728 9.718 1.00 22.50 C ATOM 1215 C ALA A 75 -7.102 0.400 8.694 1.00 44.24 C ATOM 1216 O ALA A 75 -7.565 1.487 9.020 1.00 23.14 O ATOM 1217 CB ALA A 75 -5.919 -0.831 10.560 1.00 43.42 C ATOM 0 H ALA A 75 -6.669 -2.681 9.227 1.00 32.55 H new ATOM 0 HA ALA A 75 -8.021 -0.470 10.362 1.00 22.50 H new ATOM 0 HB1 ALA A 75 -5.716 0.131 11.031 1.00 43.42 H new ATOM 0 HB2 ALA A 75 -6.057 -1.590 11.330 1.00 43.42 H new ATOM 0 HB3 ALA A 75 -5.078 -1.108 9.924 1.00 43.42 H new ATOM 1223 N TYR A 76 -6.552 0.171 7.491 1.00 21.31 N ATOM 1224 CA TYR A 76 -6.460 1.196 6.449 1.00 25.23 C ATOM 1225 C TYR A 76 -7.859 1.623 6.048 1.00 35.20 C ATOM 1226 O TYR A 76 -8.180 2.808 6.050 1.00 10.52 O ATOM 1227 CB TYR A 76 -5.699 0.653 5.214 1.00 32.44 C ATOM 1228 CG TYR A 76 -5.646 1.560 3.990 1.00 34.34 C ATOM 1229 CD1 TYR A 76 -4.458 2.230 3.639 1.00 63.22 C ATOM 1230 CD2 TYR A 76 -6.775 1.691 3.159 1.00 71.23 C ATOM 1231 CE1 TYR A 76 -4.416 3.042 2.490 1.00 62.35 C ATOM 1232 CE2 TYR A 76 -6.754 2.528 2.034 1.00 13.32 C ATOM 1233 CZ TYR A 76 -5.572 3.218 1.698 1.00 61.21 C ATOM 1234 OH TYR A 76 -5.535 4.034 0.610 1.00 2.31 O ATOM 0 H TYR A 76 -6.160 -0.730 7.217 1.00 21.31 H new ATOM 0 HA TYR A 76 -5.910 2.052 6.839 1.00 25.23 H new ATOM 0 HB2 TYR A 76 -4.676 0.429 5.516 1.00 32.44 H new ATOM 0 HB3 TYR A 76 -6.158 -0.290 4.919 1.00 32.44 H new ATOM 0 HD1 TYR A 76 -3.577 2.120 4.253 1.00 63.22 H new ATOM 0 HD2 TYR A 76 -7.673 1.137 3.392 1.00 71.23 H new ATOM 0 HE1 TYR A 76 -3.495 3.533 2.213 1.00 62.35 H new ATOM 0 HE2 TYR A 76 -7.640 2.643 1.427 1.00 13.32 H new ATOM 0 HH TYR A 76 -6.414 4.042 0.177 1.00 2.31 H new ATOM 1244 N LEU A 77 -8.697 0.644 5.709 1.00 15.12 N ATOM 1245 CA LEU A 77 -10.063 0.891 5.275 1.00 65.22 C ATOM 1246 C LEU A 77 -10.838 1.533 6.412 1.00 11.53 C ATOM 1247 O LEU A 77 -11.499 2.548 6.222 1.00 65.30 O ATOM 1248 CB LEU A 77 -10.690 -0.413 4.774 1.00 2.14 C ATOM 1249 CG LEU A 77 -9.862 -1.064 3.643 1.00 10.42 C ATOM 1250 CD1 LEU A 77 -10.215 -2.542 3.591 1.00 73.44 C ATOM 1251 CD2 LEU A 77 -10.063 -0.359 2.299 1.00 13.21 C ATOM 0 H LEU A 77 -8.443 -0.344 5.729 1.00 15.12 H new ATOM 0 HA LEU A 77 -10.085 1.588 4.437 1.00 65.22 H new ATOM 0 HB2 LEU A 77 -10.780 -1.113 5.605 1.00 2.14 H new ATOM 0 HB3 LEU A 77 -11.699 -0.214 4.414 1.00 2.14 H new ATOM 0 HG LEU A 77 -8.798 -0.957 3.856 1.00 10.42 H new ATOM 0 HD11 LEU A 77 -9.643 -3.025 2.799 1.00 73.44 H new ATOM 0 HD12 LEU A 77 -9.976 -3.007 4.547 1.00 73.44 H new ATOM 0 HD13 LEU A 77 -11.280 -2.655 3.389 1.00 73.44 H new ATOM 0 HD21 LEU A 77 -9.461 -0.852 1.536 1.00 13.21 H new ATOM 0 HD22 LEU A 77 -11.115 -0.405 2.018 1.00 13.21 H new ATOM 0 HD23 LEU A 77 -9.756 0.683 2.385 1.00 13.21 H new ATOM 1263 N SER A 78 -10.690 0.991 7.618 1.00 3.40 N ATOM 1264 CA SER A 78 -11.338 1.510 8.812 1.00 33.55 C ATOM 1265 C SER A 78 -10.855 2.938 9.143 1.00 24.35 C ATOM 1266 O SER A 78 -11.505 3.629 9.930 1.00 73.23 O ATOM 1267 CB SER A 78 -11.093 0.528 9.965 1.00 62.13 C ATOM 1268 OG SER A 78 -12.061 0.667 10.989 1.00 64.12 O ATOM 0 H SER A 78 -10.110 0.170 7.792 1.00 3.40 H new ATOM 0 HA SER A 78 -12.411 1.594 8.643 1.00 33.55 H new ATOM 0 HB2 SER A 78 -11.112 -0.493 9.583 1.00 62.13 H new ATOM 0 HB3 SER A 78 -10.099 0.695 10.380 1.00 62.13 H new ATOM 0 HG SER A 78 -11.874 0.025 11.705 1.00 64.12 H new ATOM 1274 N CYS A 79 -9.740 3.401 8.567 1.00 1.24 N ATOM 1275 CA CYS A 79 -9.173 4.728 8.769 1.00 21.35 C ATOM 1276 C CYS A 79 -9.756 5.746 7.772 1.00 21.32 C ATOM 1277 O CYS A 79 -9.304 6.887 7.773 1.00 41.45 O ATOM 1278 CB CYS A 79 -7.641 4.639 8.714 1.00 21.31 C ATOM 1279 SG CYS A 79 -6.864 6.073 9.503 1.00 72.05 S ATOM 0 H CYS A 79 -9.190 2.834 7.922 1.00 1.24 H new ATOM 0 HA CYS A 79 -9.449 5.097 9.757 1.00 21.35 H new ATOM 0 HB2 CYS A 79 -7.310 3.726 9.210 1.00 21.31 H new ATOM 0 HB3 CYS A 79 -7.316 4.573 7.676 1.00 21.31 H new ATOM 0 HG CYS A 79 -5.571 5.957 9.436 1.00 72.05 H new ATOM 1285 N GLN A 80 -10.739 5.351 6.948 1.00 33.14 N ATOM 1286 CA GLN A 80 -11.456 6.141 5.941 1.00 14.32 C ATOM 1287 C GLN A 80 -11.722 7.588 6.389 1.00 42.31 C ATOM 1288 O GLN A 80 -12.726 7.885 7.036 1.00 54.44 O ATOM 1289 CB GLN A 80 -12.755 5.413 5.535 1.00 72.31 C ATOM 1290 CG GLN A 80 -13.692 4.954 6.672 1.00 71.22 C ATOM 1291 CD GLN A 80 -14.828 4.081 6.140 1.00 11.30 C ATOM 1292 OE1 GLN A 80 -14.607 2.944 5.731 1.00 60.20 O ATOM 1293 NE2 GLN A 80 -16.065 4.543 6.203 1.00 72.35 N ATOM 0 H GLN A 80 -11.079 4.390 6.973 1.00 33.14 H new ATOM 0 HA GLN A 80 -10.812 6.226 5.066 1.00 14.32 H new ATOM 0 HB2 GLN A 80 -13.320 6.073 4.877 1.00 72.31 H new ATOM 0 HB3 GLN A 80 -12.481 4.536 4.948 1.00 72.31 H new ATOM 0 HG2 GLN A 80 -13.120 4.397 7.414 1.00 71.22 H new ATOM 0 HG3 GLN A 80 -14.107 5.826 7.178 1.00 71.22 H new ATOM 0 HE21 GLN A 80 -16.240 5.488 6.544 1.00 72.35 H new ATOM 0 HE22 GLN A 80 -16.845 3.954 5.911 1.00 72.35 H new ATOM 1302 N LYS A 81 -10.821 8.507 6.037 1.00 1.02 N ATOM 1303 CA LYS A 81 -10.890 9.922 6.384 1.00 64.42 C ATOM 1304 C LYS A 81 -10.595 10.775 5.152 1.00 61.33 C ATOM 1305 O LYS A 81 -9.449 10.752 4.685 1.00 54.35 O ATOM 1306 CB LYS A 81 -9.890 10.214 7.514 1.00 32.32 C ATOM 1307 CG LYS A 81 -10.380 9.716 8.887 1.00 62.22 C ATOM 1308 CD LYS A 81 -9.204 9.552 9.856 1.00 11.31 C ATOM 1309 CE LYS A 81 -9.621 8.825 11.138 1.00 40.01 C ATOM 1310 NZ LYS A 81 -10.303 9.705 12.105 1.00 74.11 N ATOM 0 H LYS A 81 -9.996 8.275 5.484 1.00 1.02 H new ATOM 0 HA LYS A 81 -11.892 10.171 6.732 1.00 64.42 H new ATOM 0 HB2 LYS A 81 -8.936 9.741 7.280 1.00 32.32 H new ATOM 0 HB3 LYS A 81 -9.710 11.288 7.565 1.00 32.32 H new ATOM 0 HG2 LYS A 81 -11.101 10.422 9.299 1.00 62.22 H new ATOM 0 HG3 LYS A 81 -10.897 8.764 8.770 1.00 62.22 H new ATOM 0 HD2 LYS A 81 -8.404 8.996 9.366 1.00 11.31 H new ATOM 0 HD3 LYS A 81 -8.802 10.533 10.109 1.00 11.31 H new ATOM 0 HE2 LYS A 81 -10.281 7.997 10.881 1.00 40.01 H new ATOM 0 HE3 LYS A 81 -8.737 8.394 11.608 1.00 40.01 H new ATOM 0 HZ1 LYS A 81 -10.561 9.158 12.951 1.00 74.11 H new ATOM 0 HZ2 LYS A 81 -9.667 10.482 12.376 1.00 74.11 H new ATOM 0 HZ3 LYS A 81 -11.163 10.097 11.671 1.00 74.11 H new ATOM 1324 N PRO A 82 -11.578 11.487 4.580 1.00 51.33 N ATOM 1325 CA PRO A 82 -11.354 12.343 3.424 1.00 24.02 C ATOM 1326 C PRO A 82 -10.593 13.600 3.869 1.00 63.44 C ATOM 1327 O PRO A 82 -10.320 13.793 5.055 1.00 34.33 O ATOM 1328 CB PRO A 82 -12.756 12.689 2.910 1.00 71.52 C ATOM 1329 CG PRO A 82 -13.627 12.641 4.164 1.00 70.53 C ATOM 1330 CD PRO A 82 -12.957 11.577 5.029 1.00 15.33 C ATOM 0 HA PRO A 82 -10.758 11.868 2.645 1.00 24.02 H new ATOM 0 HB2 PRO A 82 -12.779 13.674 2.444 1.00 71.52 H new ATOM 0 HB3 PRO A 82 -13.095 11.974 2.160 1.00 71.52 H new ATOM 0 HG2 PRO A 82 -13.656 13.607 4.668 1.00 70.53 H new ATOM 0 HG3 PRO A 82 -14.657 12.374 3.926 1.00 70.53 H new ATOM 0 HD2 PRO A 82 -13.004 11.848 6.084 1.00 15.33 H new ATOM 0 HD3 PRO A 82 -13.462 10.617 4.924 1.00 15.33 H new ATOM 1338 N ASP A 83 -10.205 14.448 2.911 1.00 72.21 N ATOM 1339 CA ASP A 83 -9.497 15.726 3.131 1.00 72.20 C ATOM 1340 C ASP A 83 -8.114 15.592 3.785 1.00 45.03 C ATOM 1341 O ASP A 83 -7.483 16.600 4.105 1.00 24.04 O ATOM 1342 CB ASP A 83 -10.330 16.705 3.986 1.00 51.05 C ATOM 1343 CG ASP A 83 -11.838 16.675 3.756 1.00 61.41 C ATOM 1344 OD1 ASP A 83 -12.282 16.589 2.590 1.00 34.13 O ATOM 1345 OD2 ASP A 83 -12.572 16.739 4.771 1.00 70.31 O ATOM 0 H ASP A 83 -10.379 14.262 1.923 1.00 72.21 H new ATOM 0 HA ASP A 83 -9.353 16.112 2.122 1.00 72.20 H new ATOM 0 HB2 ASP A 83 -10.138 16.492 5.038 1.00 51.05 H new ATOM 0 HB3 ASP A 83 -9.973 17.717 3.796 1.00 51.05 H new ATOM 1350 N THR A 84 -7.615 14.371 3.933 1.00 1.14 N ATOM 1351 CA THR A 84 -6.355 13.999 4.572 1.00 52.51 C ATOM 1352 C THR A 84 -5.064 14.373 3.819 1.00 34.12 C ATOM 1353 O THR A 84 -4.018 14.442 4.462 1.00 72.33 O ATOM 1354 CB THR A 84 -6.493 12.508 4.946 1.00 24.13 C ATOM 1355 OG1 THR A 84 -5.569 12.098 5.927 1.00 65.24 O ATOM 1356 CG2 THR A 84 -6.402 11.586 3.725 1.00 32.52 C ATOM 0 H THR A 84 -8.116 13.554 3.585 1.00 1.14 H new ATOM 0 HA THR A 84 -6.207 14.609 5.463 1.00 52.51 H new ATOM 0 HB THR A 84 -7.492 12.417 5.371 1.00 24.13 H new ATOM 0 HG1 THR A 84 -5.703 11.148 6.126 1.00 65.24 H new ATOM 0 HG21 THR A 84 -6.505 10.549 4.044 1.00 32.52 H new ATOM 0 HG22 THR A 84 -7.200 11.831 3.024 1.00 32.52 H new ATOM 0 HG23 THR A 84 -5.436 11.722 3.238 1.00 32.52 H new ATOM 1364 N ALA A 85 -5.128 14.688 2.514 1.00 44.15 N ATOM 1365 CA ALA A 85 -3.988 15.072 1.662 1.00 42.31 C ATOM 1366 C ALA A 85 -2.931 13.976 1.590 1.00 31.02 C ATOM 1367 O ALA A 85 -2.094 13.838 2.483 1.00 13.41 O ATOM 1368 CB ALA A 85 -3.401 16.424 2.084 1.00 34.21 C ATOM 0 H ALA A 85 -6.011 14.682 2.003 1.00 44.15 H new ATOM 0 HA ALA A 85 -4.369 15.195 0.648 1.00 42.31 H new ATOM 0 HB1 ALA A 85 -2.563 16.675 1.434 1.00 34.21 H new ATOM 0 HB2 ALA A 85 -4.167 17.195 2.002 1.00 34.21 H new ATOM 0 HB3 ALA A 85 -3.055 16.364 3.116 1.00 34.21 H new ATOM 1374 N ARG A 86 -3.024 13.133 0.560 1.00 50.25 N ATOM 1375 CA ARG A 86 -2.064 12.046 0.373 1.00 62.40 C ATOM 1376 C ARG A 86 -0.713 12.661 -0.036 1.00 42.30 C ATOM 1377 O ARG A 86 -0.618 13.852 -0.343 1.00 63.42 O ATOM 1378 CB ARG A 86 -2.570 11.035 -0.679 1.00 14.12 C ATOM 1379 CG ARG A 86 -4.007 10.508 -0.494 1.00 61.21 C ATOM 1380 CD ARG A 86 -4.655 10.120 -1.831 1.00 22.13 C ATOM 1381 NE ARG A 86 -4.938 11.309 -2.659 1.00 71.31 N ATOM 1382 CZ ARG A 86 -5.977 11.498 -3.479 1.00 71.02 C ATOM 1383 NH1 ARG A 86 -6.956 10.610 -3.603 1.00 13.01 N ATOM 1384 NH2 ARG A 86 -6.041 12.603 -4.195 1.00 43.33 N ATOM 0 H ARG A 86 -3.751 13.182 -0.154 1.00 50.25 H new ATOM 0 HA ARG A 86 -1.943 11.491 1.303 1.00 62.40 H new ATOM 0 HB2 ARG A 86 -2.502 11.503 -1.661 1.00 14.12 H new ATOM 0 HB3 ARG A 86 -1.892 10.181 -0.685 1.00 14.12 H new ATOM 0 HG2 ARG A 86 -3.993 9.641 0.167 1.00 61.21 H new ATOM 0 HG3 ARG A 86 -4.613 11.271 -0.006 1.00 61.21 H new ATOM 0 HD2 ARG A 86 -3.994 9.445 -2.375 1.00 22.13 H new ATOM 0 HD3 ARG A 86 -5.581 9.577 -1.644 1.00 22.13 H new ATOM 0 HE ARG A 86 -4.265 12.073 -2.599 1.00 71.31 H new ATOM 0 HH11 ARG A 86 -6.932 9.746 -3.061 1.00 13.01 H new ATOM 0 HH12 ARG A 86 -7.732 10.792 -4.240 1.00 13.01 H new ATOM 0 HH21 ARG A 86 -5.303 13.303 -4.120 1.00 43.33 H new ATOM 0 HH22 ARG A 86 -6.829 12.758 -4.824 1.00 43.33 H new ATOM 1398 N VAL A 87 0.327 11.841 -0.103 1.00 73.43 N ATOM 1399 CA VAL A 87 1.690 12.204 -0.480 1.00 24.13 C ATOM 1400 C VAL A 87 2.268 11.063 -1.314 1.00 53.23 C ATOM 1401 O VAL A 87 1.774 9.930 -1.259 1.00 54.02 O ATOM 1402 CB VAL A 87 2.567 12.471 0.769 1.00 61.40 C ATOM 1403 CG1 VAL A 87 2.365 13.888 1.313 1.00 11.51 C ATOM 1404 CG2 VAL A 87 2.337 11.451 1.896 1.00 12.13 C ATOM 0 H VAL A 87 0.239 10.849 0.116 1.00 73.43 H new ATOM 0 HA VAL A 87 1.678 13.127 -1.060 1.00 24.13 H new ATOM 0 HB VAL A 87 3.596 12.362 0.426 1.00 61.40 H new ATOM 0 HG11 VAL A 87 2.998 14.035 2.188 1.00 11.51 H new ATOM 0 HG12 VAL A 87 2.633 14.614 0.545 1.00 11.51 H new ATOM 0 HG13 VAL A 87 1.320 14.025 1.593 1.00 11.51 H new ATOM 0 HG21 VAL A 87 2.980 11.692 2.742 1.00 12.13 H new ATOM 0 HG22 VAL A 87 1.294 11.486 2.211 1.00 12.13 H new ATOM 0 HG23 VAL A 87 2.573 10.450 1.535 1.00 12.13 H new ATOM 1414 N ASP A 88 3.256 11.386 -2.144 1.00 40.42 N ATOM 1415 CA ASP A 88 3.966 10.444 -3.006 1.00 72.44 C ATOM 1416 C ASP A 88 5.276 10.024 -2.311 1.00 4.34 C ATOM 1417 O ASP A 88 5.587 10.541 -1.232 1.00 44.43 O ATOM 1418 CB ASP A 88 4.147 11.094 -4.380 1.00 34.50 C ATOM 1419 CG ASP A 88 4.658 10.185 -5.482 1.00 61.51 C ATOM 1420 OD1 ASP A 88 4.942 10.738 -6.569 1.00 74.02 O ATOM 1421 OD2 ASP A 88 4.639 8.956 -5.305 1.00 72.42 O ATOM 0 H ASP A 88 3.596 12.343 -2.239 1.00 40.42 H new ATOM 0 HA ASP A 88 3.408 9.522 -3.172 1.00 72.44 H new ATOM 0 HB2 ASP A 88 3.189 11.509 -4.693 1.00 34.50 H new ATOM 0 HB3 ASP A 88 4.838 11.931 -4.276 1.00 34.50 H new ATOM 1426 N ILE A 89 6.079 9.131 -2.896 1.00 22.10 N ATOM 1427 CA ILE A 89 7.345 8.654 -2.312 1.00 70.33 C ATOM 1428 C ILE A 89 8.362 9.778 -2.087 1.00 34.44 C ATOM 1429 O ILE A 89 9.202 9.693 -1.196 1.00 34.10 O ATOM 1430 CB ILE A 89 7.977 7.543 -3.190 1.00 11.30 C ATOM 1431 CG1 ILE A 89 8.378 8.093 -4.577 1.00 44.32 C ATOM 1432 CG2 ILE A 89 7.076 6.308 -3.300 1.00 22.25 C ATOM 1433 CD1 ILE A 89 8.762 7.054 -5.625 1.00 25.32 C ATOM 0 H ILE A 89 5.869 8.711 -3.801 1.00 22.10 H new ATOM 0 HA ILE A 89 7.091 8.245 -1.334 1.00 70.33 H new ATOM 0 HB ILE A 89 8.888 7.213 -2.691 1.00 11.30 H new ATOM 0 HG12 ILE A 89 7.547 8.682 -4.966 1.00 44.32 H new ATOM 0 HG13 ILE A 89 9.218 8.775 -4.446 1.00 44.32 H new ATOM 0 HG21 ILE A 89 7.561 5.558 -3.924 1.00 22.25 H new ATOM 0 HG22 ILE A 89 6.902 5.895 -2.306 1.00 22.25 H new ATOM 0 HG23 ILE A 89 6.123 6.591 -3.748 1.00 22.25 H new ATOM 0 HD11 ILE A 89 9.024 7.556 -6.556 1.00 25.32 H new ATOM 0 HD12 ILE A 89 9.617 6.478 -5.270 1.00 25.32 H new ATOM 0 HD13 ILE A 89 7.920 6.384 -5.798 1.00 25.32 H new ATOM 1445 N TYR A 90 8.270 10.845 -2.875 1.00 3.22 N ATOM 1446 CA TYR A 90 9.139 12.010 -2.800 1.00 50.33 C ATOM 1447 C TYR A 90 8.643 13.000 -1.737 1.00 42.11 C ATOM 1448 O TYR A 90 9.233 14.068 -1.556 1.00 4.21 O ATOM 1449 CB TYR A 90 9.177 12.644 -4.193 1.00 53.42 C ATOM 1450 CG TYR A 90 9.898 11.790 -5.216 1.00 13.44 C ATOM 1451 CD1 TYR A 90 11.302 11.829 -5.289 1.00 73.41 C ATOM 1452 CD2 TYR A 90 9.182 10.928 -6.068 1.00 31.45 C ATOM 1453 CE1 TYR A 90 11.986 10.998 -6.192 1.00 31.33 C ATOM 1454 CE2 TYR A 90 9.860 10.123 -6.991 1.00 64.35 C ATOM 1455 CZ TYR A 90 11.267 10.140 -7.048 1.00 72.14 C ATOM 1456 OH TYR A 90 11.928 9.304 -7.889 1.00 65.33 O ATOM 0 H TYR A 90 7.564 10.923 -3.607 1.00 3.22 H new ATOM 0 HA TYR A 90 10.145 11.719 -2.498 1.00 50.33 H new ATOM 0 HB2 TYR A 90 8.157 12.823 -4.532 1.00 53.42 H new ATOM 0 HB3 TYR A 90 9.667 13.616 -4.130 1.00 53.42 H new ATOM 0 HD1 TYR A 90 11.856 12.500 -4.649 1.00 73.41 H new ATOM 0 HD2 TYR A 90 8.104 10.888 -6.009 1.00 31.45 H new ATOM 0 HE1 TYR A 90 13.065 11.017 -6.230 1.00 31.33 H new ATOM 0 HE2 TYR A 90 9.302 9.487 -7.662 1.00 64.35 H new ATOM 0 HH TYR A 90 11.280 8.782 -8.407 1.00 65.33 H new ATOM 1466 N GLY A 91 7.550 12.680 -1.034 1.00 0.02 N ATOM 1467 CA GLY A 91 6.959 13.523 -0.009 1.00 20.03 C ATOM 1468 C GLY A 91 6.127 14.651 -0.609 1.00 71.22 C ATOM 1469 O GLY A 91 5.524 15.409 0.152 1.00 5.23 O ATOM 0 H GLY A 91 7.046 11.804 -1.172 1.00 0.02 H new ATOM 0 HA2 GLY A 91 6.331 12.916 0.642 1.00 20.03 H new ATOM 0 HA3 GLY A 91 7.748 13.945 0.613 1.00 20.03 H new ATOM 1473 N ASN A 92 6.082 14.771 -1.940 1.00 71.41 N ATOM 1474 CA ASN A 92 5.325 15.794 -2.640 1.00 50.11 C ATOM 1475 C ASN A 92 3.858 15.542 -2.322 1.00 65.54 C ATOM 1476 O ASN A 92 3.367 14.415 -2.479 1.00 12.52 O ATOM 1477 CB ASN A 92 5.563 15.736 -4.155 1.00 52.54 C ATOM 1478 CG ASN A 92 7.032 15.701 -4.554 1.00 4.13 C ATOM 1479 OD1 ASN A 92 7.904 16.209 -3.859 1.00 2.25 O ATOM 1480 ND2 ASN A 92 7.364 15.023 -5.635 1.00 24.14 N ATOM 0 H ASN A 92 6.584 14.142 -2.567 1.00 71.41 H new ATOM 0 HA ASN A 92 5.639 16.786 -2.316 1.00 50.11 H new ATOM 0 HB2 ASN A 92 5.068 14.852 -4.556 1.00 52.54 H new ATOM 0 HB3 ASN A 92 5.092 16.603 -4.619 1.00 52.54 H new ATOM 0 HD21 ASN A 92 8.346 14.922 -5.892 1.00 24.14 H new ATOM 0 HD22 ASN A 92 6.639 14.600 -6.214 1.00 24.14 H new ATOM 1487 N GLU A 93 3.191 16.556 -1.795 1.00 2.02 N ATOM 1488 CA GLU A 93 1.800 16.535 -1.420 1.00 62.04 C ATOM 1489 C GLU A 93 0.951 16.458 -2.674 1.00 2.30 C ATOM 1490 O GLU A 93 1.290 16.980 -3.742 1.00 54.05 O ATOM 1491 CB GLU A 93 1.489 17.806 -0.624 1.00 60.34 C ATOM 1492 CG GLU A 93 1.681 17.582 0.880 1.00 53.44 C ATOM 1493 CD GLU A 93 1.892 18.914 1.594 1.00 34.41 C ATOM 1494 OE1 GLU A 93 0.949 19.734 1.635 1.00 44.32 O ATOM 1495 OE2 GLU A 93 3.027 19.155 2.064 1.00 41.13 O ATOM 0 H GLU A 93 3.633 17.457 -1.611 1.00 2.02 H new ATOM 0 HA GLU A 93 1.579 15.667 -0.799 1.00 62.04 H new ATOM 0 HB2 GLU A 93 2.138 18.615 -0.959 1.00 60.34 H new ATOM 0 HB3 GLU A 93 0.463 18.118 -0.819 1.00 60.34 H new ATOM 0 HG2 GLU A 93 0.809 17.075 1.293 1.00 53.44 H new ATOM 0 HG3 GLU A 93 2.538 16.931 1.051 1.00 53.44 H new ATOM 1502 N VAL A 94 -0.175 15.786 -2.533 1.00 5.42 N ATOM 1503 CA VAL A 94 -1.173 15.576 -3.553 1.00 55.04 C ATOM 1504 C VAL A 94 -2.510 16.027 -2.983 1.00 62.42 C ATOM 1505 O VAL A 94 -2.613 16.510 -1.852 1.00 10.32 O ATOM 1506 CB VAL A 94 -1.106 14.203 -4.243 1.00 23.31 C ATOM 1507 CG1 VAL A 94 0.292 13.969 -4.806 1.00 72.30 C ATOM 1508 CG2 VAL A 94 -1.462 13.019 -3.361 1.00 54.33 C ATOM 0 H VAL A 94 -0.429 15.347 -1.648 1.00 5.42 H new ATOM 0 HA VAL A 94 -0.976 16.198 -4.426 1.00 55.04 H new ATOM 0 HB VAL A 94 -1.863 14.251 -5.026 1.00 23.31 H new ATOM 0 HG11 VAL A 94 0.330 12.994 -5.293 1.00 72.30 H new ATOM 0 HG12 VAL A 94 0.526 14.747 -5.533 1.00 72.30 H new ATOM 0 HG13 VAL A 94 1.020 13.998 -3.996 1.00 72.30 H new ATOM 0 HG21 VAL A 94 -1.385 12.098 -3.939 1.00 54.33 H new ATOM 0 HG22 VAL A 94 -0.775 12.975 -2.516 1.00 54.33 H new ATOM 0 HG23 VAL A 94 -2.482 13.132 -2.994 1.00 54.33 H new ATOM 1518 N ASP A 95 -3.543 15.900 -3.795 1.00 13.43 N ATOM 1519 CA ASP A 95 -4.882 16.311 -3.448 1.00 0.53 C ATOM 1520 C ASP A 95 -5.477 15.241 -2.525 1.00 43.52 C ATOM 1521 O ASP A 95 -4.793 14.295 -2.101 1.00 21.40 O ATOM 1522 CB ASP A 95 -5.693 16.555 -4.737 1.00 61.24 C ATOM 1523 CG ASP A 95 -5.711 15.412 -5.764 1.00 74.15 C ATOM 1524 OD1 ASP A 95 -4.818 14.525 -5.775 1.00 33.34 O ATOM 1525 OD2 ASP A 95 -6.590 15.440 -6.649 1.00 40.24 O ATOM 0 H ASP A 95 -3.469 15.500 -4.731 1.00 13.43 H new ATOM 0 HA ASP A 95 -4.898 17.256 -2.905 1.00 0.53 H new ATOM 0 HB2 ASP A 95 -6.722 16.776 -4.455 1.00 61.24 H new ATOM 0 HB3 ASP A 95 -5.297 17.446 -5.225 1.00 61.24 H new ATOM 1530 N VAL A 96 -6.755 15.368 -2.180 1.00 63.04 N ATOM 1531 CA VAL A 96 -7.375 14.477 -1.211 1.00 10.12 C ATOM 1532 C VAL A 96 -8.422 13.528 -1.757 1.00 71.35 C ATOM 1533 O VAL A 96 -8.843 13.599 -2.908 1.00 42.54 O ATOM 1534 CB VAL A 96 -8.036 15.385 -0.143 1.00 21.04 C ATOM 1535 CG1 VAL A 96 -7.064 16.385 0.511 1.00 44.03 C ATOM 1536 CG2 VAL A 96 -9.237 16.182 -0.688 1.00 24.21 C ATOM 0 H VAL A 96 -7.380 16.080 -2.558 1.00 63.04 H new ATOM 0 HA VAL A 96 -6.589 13.827 -0.828 1.00 10.12 H new ATOM 0 HB VAL A 96 -8.376 14.676 0.612 1.00 21.04 H new ATOM 0 HG11 VAL A 96 -7.600 16.985 1.247 1.00 44.03 H new ATOM 0 HG12 VAL A 96 -6.259 15.840 1.004 1.00 44.03 H new ATOM 0 HG13 VAL A 96 -6.645 17.039 -0.254 1.00 44.03 H new ATOM 0 HG21 VAL A 96 -9.656 16.798 0.108 1.00 24.21 H new ATOM 0 HG22 VAL A 96 -8.908 16.821 -1.507 1.00 24.21 H new ATOM 0 HG23 VAL A 96 -9.998 15.491 -1.051 1.00 24.21 H new ATOM 1546 N VAL A 97 -8.783 12.582 -0.896 1.00 72.00 N ATOM 1547 CA VAL A 97 -9.800 11.594 -1.188 1.00 31.35 C ATOM 1548 C VAL A 97 -11.123 12.321 -0.914 1.00 14.13 C ATOM 1549 O VAL A 97 -11.272 12.950 0.146 1.00 22.11 O ATOM 1550 CB VAL A 97 -9.628 10.343 -0.294 1.00 1.23 C ATOM 1551 CG1 VAL A 97 -10.550 9.215 -0.774 1.00 2.40 C ATOM 1552 CG2 VAL A 97 -8.188 9.800 -0.278 1.00 43.15 C ATOM 0 H VAL A 97 -8.370 12.484 0.032 1.00 72.00 H new ATOM 0 HA VAL A 97 -9.748 11.223 -2.211 1.00 31.35 H new ATOM 0 HB VAL A 97 -9.884 10.664 0.716 1.00 1.23 H new ATOM 0 HG11 VAL A 97 -10.418 8.341 -0.136 1.00 2.40 H new ATOM 0 HG12 VAL A 97 -11.587 9.547 -0.725 1.00 2.40 H new ATOM 0 HG13 VAL A 97 -10.301 8.954 -1.803 1.00 2.40 H new ATOM 0 HG21 VAL A 97 -8.137 8.923 0.368 1.00 43.15 H new ATOM 0 HG22 VAL A 97 -7.892 9.523 -1.290 1.00 43.15 H new ATOM 0 HG23 VAL A 97 -7.514 10.568 0.100 1.00 43.15 H new ATOM 1562 N THR A 98 -12.047 12.289 -1.871 1.00 3.05 N ATOM 1563 CA THR A 98 -13.360 12.911 -1.742 1.00 11.33 C ATOM 1564 C THR A 98 -14.160 12.149 -0.672 1.00 41.15 C ATOM 1565 O THR A 98 -13.910 10.956 -0.469 1.00 35.11 O ATOM 1566 CB THR A 98 -14.085 12.916 -3.103 1.00 32.43 C ATOM 1567 OG1 THR A 98 -13.816 11.752 -3.864 1.00 62.42 O ATOM 1568 CG2 THR A 98 -13.669 14.131 -3.929 1.00 32.13 C ATOM 0 H THR A 98 -11.902 11.825 -2.768 1.00 3.05 H new ATOM 0 HA THR A 98 -13.258 13.951 -1.430 1.00 11.33 H new ATOM 0 HB THR A 98 -15.151 12.950 -2.879 1.00 32.43 H new ATOM 0 HG1 THR A 98 -14.637 11.455 -4.309 1.00 62.42 H new ATOM 0 HG21 THR A 98 -14.191 14.117 -4.886 1.00 32.13 H new ATOM 0 HG22 THR A 98 -13.925 15.043 -3.389 1.00 32.13 H new ATOM 0 HG23 THR A 98 -12.593 14.102 -4.102 1.00 32.13 H new ATOM 1576 N PRO A 99 -15.156 12.766 -0.012 1.00 15.42 N ATOM 1577 CA PRO A 99 -15.939 12.088 1.014 1.00 31.22 C ATOM 1578 C PRO A 99 -16.629 10.819 0.499 1.00 44.31 C ATOM 1579 O PRO A 99 -16.722 9.852 1.257 1.00 53.40 O ATOM 1580 CB PRO A 99 -16.903 13.133 1.589 1.00 75.35 C ATOM 1581 CG PRO A 99 -16.918 14.259 0.559 1.00 42.40 C ATOM 1582 CD PRO A 99 -15.562 14.157 -0.136 1.00 13.03 C ATOM 0 HA PRO A 99 -15.294 11.708 1.806 1.00 31.22 H new ATOM 0 HB2 PRO A 99 -17.899 12.715 1.733 1.00 75.35 H new ATOM 0 HB3 PRO A 99 -16.564 13.491 2.561 1.00 75.35 H new ATOM 0 HG2 PRO A 99 -17.738 14.138 -0.149 1.00 42.40 H new ATOM 0 HG3 PRO A 99 -17.048 15.231 1.035 1.00 42.40 H new ATOM 0 HD2 PRO A 99 -15.636 14.451 -1.183 1.00 13.03 H new ATOM 0 HD3 PRO A 99 -14.833 14.820 0.330 1.00 13.03 H new ATOM 1590 N GLU A 100 -17.071 10.783 -0.764 1.00 25.42 N ATOM 1591 CA GLU A 100 -17.725 9.602 -1.328 1.00 30.45 C ATOM 1592 C GLU A 100 -16.727 8.452 -1.484 1.00 71.52 C ATOM 1593 O GLU A 100 -17.039 7.301 -1.180 1.00 21.05 O ATOM 1594 CB GLU A 100 -18.354 9.919 -2.693 1.00 32.14 C ATOM 1595 CG GLU A 100 -19.720 10.582 -2.504 1.00 52.02 C ATOM 1596 CD GLU A 100 -20.762 9.600 -1.974 1.00 11.13 C ATOM 1597 OE1 GLU A 100 -21.286 8.766 -2.738 1.00 53.32 O ATOM 1598 OE2 GLU A 100 -21.061 9.651 -0.759 1.00 50.15 O ATOM 0 H GLU A 100 -16.986 11.563 -1.415 1.00 25.42 H new ATOM 0 HA GLU A 100 -18.513 9.302 -0.637 1.00 30.45 H new ATOM 0 HB2 GLU A 100 -17.697 10.578 -3.260 1.00 32.14 H new ATOM 0 HB3 GLU A 100 -18.464 9.003 -3.273 1.00 32.14 H new ATOM 0 HG2 GLU A 100 -19.625 11.419 -1.812 1.00 52.02 H new ATOM 0 HG3 GLU A 100 -20.059 10.992 -3.455 1.00 52.02 H new ATOM 1605 N GLN A 101 -15.518 8.757 -1.965 1.00 61.34 N ATOM 1606 CA GLN A 101 -14.475 7.764 -2.181 1.00 42.23 C ATOM 1607 C GLN A 101 -13.818 7.321 -0.873 1.00 31.14 C ATOM 1608 O GLN A 101 -13.370 6.175 -0.782 1.00 62.13 O ATOM 1609 CB GLN A 101 -13.441 8.295 -3.182 1.00 64.50 C ATOM 1610 CG GLN A 101 -14.089 8.498 -4.562 1.00 20.53 C ATOM 1611 CD GLN A 101 -13.056 8.744 -5.655 1.00 2.44 C ATOM 1612 OE1 GLN A 101 -12.376 7.825 -6.103 1.00 11.44 O ATOM 1613 NE2 GLN A 101 -12.952 9.955 -6.161 1.00 55.24 N ATOM 0 H GLN A 101 -15.239 9.706 -2.215 1.00 61.34 H new ATOM 0 HA GLN A 101 -14.942 6.874 -2.604 1.00 42.23 H new ATOM 0 HB2 GLN A 101 -13.029 9.239 -2.824 1.00 64.50 H new ATOM 0 HB3 GLN A 101 -12.610 7.595 -3.263 1.00 64.50 H new ATOM 0 HG2 GLN A 101 -14.681 7.619 -4.816 1.00 20.53 H new ATOM 0 HG3 GLN A 101 -14.776 9.343 -4.518 1.00 20.53 H new ATOM 0 HE21 GLN A 101 -13.519 10.715 -5.785 1.00 55.24 H new ATOM 0 HE22 GLN A 101 -12.304 10.133 -6.929 1.00 55.24 H new ATOM 1622 N ALA A 102 -13.773 8.179 0.152 1.00 74.14 N ATOM 1623 CA ALA A 102 -13.163 7.811 1.421 1.00 21.35 C ATOM 1624 C ALA A 102 -14.017 6.754 2.126 1.00 42.12 C ATOM 1625 O ALA A 102 -13.512 5.668 2.415 1.00 11.15 O ATOM 1626 CB ALA A 102 -12.960 9.061 2.285 1.00 43.04 C ATOM 0 H ALA A 102 -14.151 9.126 0.122 1.00 74.14 H new ATOM 0 HA ALA A 102 -12.181 7.372 1.244 1.00 21.35 H new ATOM 0 HB1 ALA A 102 -12.503 8.778 3.233 1.00 43.04 H new ATOM 0 HB2 ALA A 102 -12.308 9.762 1.763 1.00 43.04 H new ATOM 0 HB3 ALA A 102 -13.924 9.533 2.474 1.00 43.04 H new ATOM 1632 N LYS A 103 -15.326 7.002 2.259 1.00 22.21 N ATOM 1633 CA LYS A 103 -16.279 6.095 2.898 1.00 52.31 C ATOM 1634 C LYS A 103 -16.370 4.777 2.149 1.00 55.33 C ATOM 1635 O LYS A 103 -16.593 3.753 2.778 1.00 72.21 O ATOM 1636 CB LYS A 103 -17.664 6.749 3.071 1.00 3.02 C ATOM 1637 CG LYS A 103 -18.397 6.974 1.739 1.00 73.32 C ATOM 1638 CD LYS A 103 -19.741 7.698 1.835 1.00 71.33 C ATOM 1639 CE LYS A 103 -20.787 6.838 2.545 1.00 4.15 C ATOM 1640 NZ LYS A 103 -22.159 7.331 2.321 1.00 53.54 N ATOM 0 H LYS A 103 -15.759 7.860 1.916 1.00 22.21 H new ATOM 0 HA LYS A 103 -15.904 5.879 3.898 1.00 52.31 H new ATOM 0 HB2 LYS A 103 -18.278 6.119 3.715 1.00 3.02 H new ATOM 0 HB3 LYS A 103 -17.546 7.706 3.580 1.00 3.02 H new ATOM 0 HG2 LYS A 103 -17.744 7.545 1.078 1.00 73.32 H new ATOM 0 HG3 LYS A 103 -18.560 6.005 1.267 1.00 73.32 H new ATOM 0 HD2 LYS A 103 -19.613 8.637 2.374 1.00 71.33 H new ATOM 0 HD3 LYS A 103 -20.093 7.950 0.835 1.00 71.33 H new ATOM 0 HE2 LYS A 103 -20.710 5.810 2.192 1.00 4.15 H new ATOM 0 HE3 LYS A 103 -20.578 6.824 3.615 1.00 4.15 H new ATOM 0 HZ1 LYS A 103 -22.834 6.718 2.821 1.00 53.54 H new ATOM 0 HZ2 LYS A 103 -22.242 8.303 2.681 1.00 53.54 H new ATOM 0 HZ3 LYS A 103 -22.370 7.320 1.303 1.00 53.54 H new ATOM 1654 N TYR A 104 -16.135 4.792 0.832 1.00 3.41 N ATOM 1655 CA TYR A 104 -16.197 3.639 -0.062 1.00 23.22 C ATOM 1656 C TYR A 104 -15.322 2.497 0.443 1.00 41.33 C ATOM 1657 O TYR A 104 -15.602 1.330 0.177 1.00 41.42 O ATOM 1658 CB TYR A 104 -15.673 4.077 -1.436 1.00 4.50 C ATOM 1659 CG TYR A 104 -16.275 3.354 -2.614 1.00 2.22 C ATOM 1660 CD1 TYR A 104 -17.398 3.917 -3.240 1.00 64.02 C ATOM 1661 CD2 TYR A 104 -15.698 2.174 -3.122 1.00 30.33 C ATOM 1662 CE1 TYR A 104 -17.957 3.310 -4.371 1.00 24.02 C ATOM 1663 CE2 TYR A 104 -16.244 1.568 -4.268 1.00 62.10 C ATOM 1664 CZ TYR A 104 -17.379 2.135 -4.893 1.00 2.33 C ATOM 1665 OH TYR A 104 -17.922 1.550 -5.990 1.00 55.51 O ATOM 0 H TYR A 104 -15.885 5.651 0.341 1.00 3.41 H new ATOM 0 HA TYR A 104 -17.228 3.288 -0.114 1.00 23.22 H new ATOM 0 HB2 TYR A 104 -15.857 5.145 -1.553 1.00 4.50 H new ATOM 0 HB3 TYR A 104 -14.592 3.935 -1.457 1.00 4.50 H new ATOM 0 HD1 TYR A 104 -17.833 4.824 -2.847 1.00 64.02 H new ATOM 0 HD2 TYR A 104 -14.840 1.736 -2.634 1.00 30.33 H new ATOM 0 HE1 TYR A 104 -18.828 3.741 -4.842 1.00 24.02 H new ATOM 0 HE2 TYR A 104 -15.797 0.671 -4.670 1.00 62.10 H new ATOM 0 HH TYR A 104 -17.406 0.750 -6.224 1.00 55.51 H new ATOM 1675 N ALA A 105 -14.255 2.828 1.175 1.00 23.10 N ATOM 1676 CA ALA A 105 -13.339 1.854 1.735 1.00 33.50 C ATOM 1677 C ALA A 105 -14.064 0.801 2.587 1.00 33.10 C ATOM 1678 O ALA A 105 -13.639 -0.356 2.611 1.00 40.31 O ATOM 1679 CB ALA A 105 -12.309 2.614 2.560 1.00 55.12 C ATOM 0 H ALA A 105 -14.008 3.793 1.393 1.00 23.10 H new ATOM 0 HA ALA A 105 -12.854 1.303 0.929 1.00 33.50 H new ATOM 0 HB1 ALA A 105 -11.602 1.909 2.997 1.00 55.12 H new ATOM 0 HB2 ALA A 105 -11.774 3.314 1.919 1.00 55.12 H new ATOM 0 HB3 ALA A 105 -12.813 3.163 3.355 1.00 55.12 H new ATOM 1685 N TYR A 106 -15.191 1.157 3.216 1.00 50.31 N ATOM 1686 CA TYR A 106 -15.969 0.247 4.042 1.00 24.53 C ATOM 1687 C TYR A 106 -16.444 -0.984 3.265 1.00 21.25 C ATOM 1688 O TYR A 106 -16.586 -2.056 3.854 1.00 33.51 O ATOM 1689 CB TYR A 106 -17.132 0.993 4.716 1.00 15.12 C ATOM 1690 CG TYR A 106 -18.476 0.935 4.004 1.00 31.10 C ATOM 1691 CD1 TYR A 106 -18.619 1.466 2.710 1.00 52.41 C ATOM 1692 CD2 TYR A 106 -19.594 0.366 4.643 1.00 22.51 C ATOM 1693 CE1 TYR A 106 -19.864 1.469 2.068 1.00 42.33 C ATOM 1694 CE2 TYR A 106 -20.841 0.334 3.993 1.00 4.21 C ATOM 1695 CZ TYR A 106 -20.980 0.888 2.702 1.00 62.31 C ATOM 1696 OH TYR A 106 -22.195 0.893 2.093 1.00 72.23 O ATOM 0 H TYR A 106 -15.586 2.096 3.160 1.00 50.31 H new ATOM 0 HA TYR A 106 -15.314 -0.131 4.827 1.00 24.53 H new ATOM 0 HB2 TYR A 106 -17.260 0.590 5.721 1.00 15.12 H new ATOM 0 HB3 TYR A 106 -16.848 2.040 4.826 1.00 15.12 H new ATOM 0 HD1 TYR A 106 -17.758 1.877 2.204 1.00 52.41 H new ATOM 0 HD2 TYR A 106 -19.494 -0.047 5.636 1.00 22.51 H new ATOM 0 HE1 TYR A 106 -19.968 1.915 1.090 1.00 42.33 H new ATOM 0 HE2 TYR A 106 -21.693 -0.115 4.482 1.00 4.21 H new ATOM 0 HH TYR A 106 -22.852 0.450 2.670 1.00 72.23 H new ATOM 1706 N GLN A 107 -16.666 -0.855 1.952 1.00 24.34 N ATOM 1707 CA GLN A 107 -17.107 -1.949 1.098 1.00 73.42 C ATOM 1708 C GLN A 107 -16.012 -3.019 1.060 1.00 51.51 C ATOM 1709 O GLN A 107 -16.289 -4.214 1.152 1.00 14.45 O ATOM 1710 CB GLN A 107 -17.408 -1.438 -0.317 1.00 13.52 C ATOM 1711 CG GLN A 107 -18.531 -0.388 -0.340 1.00 70.33 C ATOM 1712 CD GLN A 107 -19.088 -0.022 -1.719 1.00 42.43 C ATOM 1713 OE1 GLN A 107 -20.134 0.619 -1.795 1.00 21.11 O ATOM 1714 NE2 GLN A 107 -18.443 -0.372 -2.820 1.00 53.11 N ATOM 0 H GLN A 107 -16.541 0.025 1.452 1.00 24.34 H new ATOM 0 HA GLN A 107 -18.024 -2.379 1.500 1.00 73.42 H new ATOM 0 HB2 GLN A 107 -16.503 -1.006 -0.743 1.00 13.52 H new ATOM 0 HB3 GLN A 107 -17.689 -2.279 -0.951 1.00 13.52 H new ATOM 0 HG2 GLN A 107 -19.353 -0.753 0.276 1.00 70.33 H new ATOM 0 HG3 GLN A 107 -18.159 0.522 0.131 1.00 70.33 H new ATOM 0 HE21 GLN A 107 -17.575 -0.904 -2.755 1.00 53.11 H new ATOM 0 HE22 GLN A 107 -18.814 -0.110 -3.733 1.00 53.11 H new ATOM 1723 N ARG A 108 -14.756 -2.579 0.938 1.00 11.11 N ATOM 1724 CA ARG A 108 -13.593 -3.457 0.891 1.00 25.11 C ATOM 1725 C ARG A 108 -13.341 -4.054 2.278 1.00 52.01 C ATOM 1726 O ARG A 108 -12.825 -5.164 2.381 1.00 52.33 O ATOM 1727 CB ARG A 108 -12.346 -2.716 0.376 1.00 21.15 C ATOM 1728 CG ARG A 108 -12.574 -1.614 -0.674 1.00 74.10 C ATOM 1729 CD ARG A 108 -13.298 -2.051 -1.954 1.00 53.41 C ATOM 1730 NE ARG A 108 -12.448 -2.799 -2.896 1.00 12.04 N ATOM 1731 CZ ARG A 108 -11.825 -2.293 -3.969 1.00 4.51 C ATOM 1732 NH1 ARG A 108 -11.598 -0.984 -4.066 1.00 63.24 N ATOM 1733 NH2 ARG A 108 -11.429 -3.097 -4.951 1.00 71.31 N ATOM 0 H ARG A 108 -14.520 -1.589 0.869 1.00 11.11 H new ATOM 0 HA ARG A 108 -13.799 -4.264 0.188 1.00 25.11 H new ATOM 0 HB2 ARG A 108 -11.839 -2.269 1.232 1.00 21.15 H new ATOM 0 HB3 ARG A 108 -11.665 -3.453 -0.049 1.00 21.15 H new ATOM 0 HG2 ARG A 108 -13.147 -0.810 -0.211 1.00 74.10 H new ATOM 0 HG3 ARG A 108 -11.606 -1.197 -0.951 1.00 74.10 H new ATOM 0 HD2 ARG A 108 -14.154 -2.669 -1.682 1.00 53.41 H new ATOM 0 HD3 ARG A 108 -13.690 -1.167 -2.457 1.00 53.41 H new ATOM 0 HE ARG A 108 -12.322 -3.795 -2.715 1.00 12.04 H new ATOM 0 HH11 ARG A 108 -11.899 -0.357 -3.320 1.00 63.24 H new ATOM 0 HH12 ARG A 108 -11.123 -0.608 -4.887 1.00 63.24 H new ATOM 0 HH21 ARG A 108 -11.599 -4.101 -4.888 1.00 71.31 H new ATOM 0 HH22 ARG A 108 -10.955 -2.710 -5.767 1.00 71.31 H new ATOM 1747 N TYR A 109 -13.696 -3.339 3.356 1.00 33.30 N ATOM 1748 CA TYR A 109 -13.510 -3.862 4.701 1.00 5.21 C ATOM 1749 C TYR A 109 -14.477 -5.023 4.896 1.00 70.25 C ATOM 1750 O TYR A 109 -14.057 -6.125 5.223 1.00 63.11 O ATOM 1751 CB TYR A 109 -13.719 -2.772 5.769 1.00 34.11 C ATOM 1752 CG TYR A 109 -13.655 -3.266 7.205 1.00 31.11 C ATOM 1753 CD1 TYR A 109 -14.774 -3.893 7.796 1.00 22.23 C ATOM 1754 CD2 TYR A 109 -12.473 -3.109 7.953 1.00 1.40 C ATOM 1755 CE1 TYR A 109 -14.686 -4.433 9.091 1.00 1.14 C ATOM 1756 CE2 TYR A 109 -12.390 -3.626 9.258 1.00 31.20 C ATOM 1757 CZ TYR A 109 -13.481 -4.327 9.819 1.00 53.32 C ATOM 1758 OH TYR A 109 -13.366 -4.882 11.055 1.00 51.12 O ATOM 0 H TYR A 109 -14.109 -2.407 3.315 1.00 33.30 H new ATOM 0 HA TYR A 109 -12.484 -4.210 4.819 1.00 5.21 H new ATOM 0 HB2 TYR A 109 -12.963 -1.999 5.632 1.00 34.11 H new ATOM 0 HB3 TYR A 109 -14.689 -2.303 5.604 1.00 34.11 H new ATOM 0 HD1 TYR A 109 -15.703 -3.958 7.250 1.00 22.23 H new ATOM 0 HD2 TYR A 109 -11.628 -2.591 7.524 1.00 1.40 H new ATOM 0 HE1 TYR A 109 -15.540 -4.929 9.529 1.00 1.14 H new ATOM 0 HE2 TYR A 109 -11.488 -3.487 9.835 1.00 31.20 H new ATOM 0 HH TYR A 109 -12.468 -4.712 11.408 1.00 51.12 H new ATOM 1768 N GLN A 110 -15.769 -4.792 4.648 1.00 71.30 N ATOM 1769 CA GLN A 110 -16.808 -5.798 4.804 1.00 4.54 C ATOM 1770 C GLN A 110 -16.591 -6.998 3.894 1.00 21.55 C ATOM 1771 O GLN A 110 -17.093 -8.080 4.187 1.00 73.30 O ATOM 1772 CB GLN A 110 -18.219 -5.218 4.715 1.00 15.22 C ATOM 1773 CG GLN A 110 -18.637 -4.739 3.327 1.00 31.13 C ATOM 1774 CD GLN A 110 -20.087 -4.283 3.353 1.00 64.00 C ATOM 1775 OE1 GLN A 110 -21.002 -5.072 3.111 1.00 60.02 O ATOM 1776 NE2 GLN A 110 -20.327 -3.028 3.690 1.00 14.31 N ATOM 0 H GLN A 110 -16.121 -3.889 4.330 1.00 71.30 H new ATOM 0 HA GLN A 110 -16.719 -6.175 5.823 1.00 4.54 H new ATOM 0 HB2 GLN A 110 -18.928 -5.975 5.050 1.00 15.22 H new ATOM 0 HB3 GLN A 110 -18.295 -4.381 5.409 1.00 15.22 H new ATOM 0 HG2 GLN A 110 -17.994 -3.919 3.007 1.00 31.13 H new ATOM 0 HG3 GLN A 110 -18.512 -5.543 2.602 1.00 31.13 H new ATOM 0 HE21 GLN A 110 -19.551 -2.395 3.885 1.00 14.31 H new ATOM 0 HE22 GLN A 110 -21.288 -2.692 3.755 1.00 14.31 H new ATOM 1785 N GLU A 111 -15.949 -6.802 2.747 1.00 51.14 N ATOM 1786 CA GLU A 111 -15.669 -7.865 1.788 1.00 34.44 C ATOM 1787 C GLU A 111 -14.960 -9.036 2.488 1.00 72.42 C ATOM 1788 O GLU A 111 -15.316 -10.201 2.279 1.00 0.03 O ATOM 1789 CB GLU A 111 -14.798 -7.272 0.665 1.00 65.03 C ATOM 1790 CG GLU A 111 -15.570 -7.017 -0.631 1.00 31.42 C ATOM 1791 CD GLU A 111 -15.860 -8.298 -1.421 1.00 24.45 C ATOM 1792 OE1 GLU A 111 -16.333 -8.208 -2.578 1.00 0.52 O ATOM 1793 OE2 GLU A 111 -15.611 -9.414 -0.914 1.00 2.20 O ATOM 0 H GLU A 111 -15.604 -5.888 2.453 1.00 51.14 H new ATOM 0 HA GLU A 111 -16.594 -8.255 1.363 1.00 34.44 H new ATOM 0 HB2 GLU A 111 -14.362 -6.335 1.010 1.00 65.03 H new ATOM 0 HB3 GLU A 111 -13.971 -7.952 0.459 1.00 65.03 H new ATOM 0 HG2 GLU A 111 -16.512 -6.522 -0.394 1.00 31.42 H new ATOM 0 HG3 GLU A 111 -14.999 -6.332 -1.258 1.00 31.42 H new ATOM 1800 N ARG A 112 -13.964 -8.736 3.328 1.00 22.20 N ATOM 1801 CA ARG A 112 -13.199 -9.748 4.062 1.00 61.23 C ATOM 1802 C ARG A 112 -13.565 -9.839 5.537 1.00 22.23 C ATOM 1803 O ARG A 112 -13.786 -10.930 6.056 1.00 14.13 O ATOM 1804 CB ARG A 112 -11.693 -9.478 3.890 1.00 63.21 C ATOM 1805 CG ARG A 112 -11.172 -9.780 2.472 1.00 61.21 C ATOM 1806 CD ARG A 112 -10.658 -11.217 2.299 1.00 40.13 C ATOM 1807 NE ARG A 112 -11.702 -12.238 2.498 1.00 44.01 N ATOM 1808 CZ ARG A 112 -11.486 -13.506 2.876 1.00 51.45 C ATOM 1809 NH1 ARG A 112 -10.256 -13.976 3.034 1.00 55.31 N ATOM 1810 NH2 ARG A 112 -12.512 -14.318 3.083 1.00 74.41 N ATOM 0 H ARG A 112 -13.665 -7.780 3.518 1.00 22.20 H new ATOM 0 HA ARG A 112 -13.458 -10.716 3.634 1.00 61.23 H new ATOM 0 HB2 ARG A 112 -11.490 -8.434 4.128 1.00 63.21 H new ATOM 0 HB3 ARG A 112 -11.139 -10.083 4.608 1.00 63.21 H new ATOM 0 HG2 ARG A 112 -11.972 -9.600 1.754 1.00 61.21 H new ATOM 0 HG3 ARG A 112 -10.368 -9.084 2.234 1.00 61.21 H new ATOM 0 HD2 ARG A 112 -10.238 -11.327 1.299 1.00 40.13 H new ATOM 0 HD3 ARG A 112 -9.848 -11.393 3.007 1.00 40.13 H new ATOM 0 HE ARG A 112 -12.669 -11.957 2.335 1.00 44.01 H new ATOM 0 HH11 ARG A 112 -9.453 -13.370 2.867 1.00 55.31 H new ATOM 0 HH12 ARG A 112 -10.113 -14.944 3.322 1.00 55.31 H new ATOM 0 HH21 ARG A 112 -13.465 -13.978 2.955 1.00 74.41 H new ATOM 0 HH22 ARG A 112 -12.349 -15.283 3.371 1.00 74.41 H new ATOM 1824 N TYR A 113 -13.612 -8.697 6.204 1.00 11.45 N ATOM 1825 CA TYR A 113 -13.891 -8.484 7.622 1.00 13.23 C ATOM 1826 C TYR A 113 -15.388 -8.236 7.885 1.00 51.44 C ATOM 1827 O TYR A 113 -15.778 -7.489 8.789 1.00 64.33 O ATOM 1828 CB TYR A 113 -12.963 -7.350 8.104 1.00 44.54 C ATOM 1829 CG TYR A 113 -11.582 -7.343 7.452 1.00 1.52 C ATOM 1830 CD1 TYR A 113 -11.219 -6.280 6.602 1.00 31.41 C ATOM 1831 CD2 TYR A 113 -10.717 -8.448 7.583 1.00 12.21 C ATOM 1832 CE1 TYR A 113 -10.030 -6.327 5.855 1.00 25.31 C ATOM 1833 CE2 TYR A 113 -9.523 -8.505 6.840 1.00 32.01 C ATOM 1834 CZ TYR A 113 -9.185 -7.451 5.960 1.00 62.21 C ATOM 1835 OH TYR A 113 -8.059 -7.503 5.197 1.00 20.41 O ATOM 0 H TYR A 113 -13.441 -7.812 5.726 1.00 11.45 H new ATOM 0 HA TYR A 113 -13.677 -9.380 8.204 1.00 13.23 H new ATOM 0 HB2 TYR A 113 -13.448 -6.393 7.910 1.00 44.54 H new ATOM 0 HB3 TYR A 113 -12.841 -7.432 9.184 1.00 44.54 H new ATOM 0 HD1 TYR A 113 -11.864 -5.417 6.523 1.00 31.41 H new ATOM 0 HD2 TYR A 113 -10.971 -9.254 8.256 1.00 12.21 H new ATOM 0 HE1 TYR A 113 -9.765 -5.507 5.204 1.00 25.31 H new ATOM 0 HE2 TYR A 113 -8.864 -9.355 6.942 1.00 32.01 H new ATOM 0 HH TYR A 113 -7.578 -8.337 5.380 1.00 20.41 H new ATOM 1845 N GLY A 114 -16.250 -8.756 7.014 1.00 11.22 N ATOM 1846 CA GLY A 114 -17.694 -8.639 7.071 1.00 23.55 C ATOM 1847 C GLY A 114 -18.321 -9.799 6.308 1.00 65.33 C ATOM 1848 O GLY A 114 -17.669 -10.826 6.100 1.00 42.32 O ATOM 0 H GLY A 114 -15.937 -9.298 6.209 1.00 11.22 H new ATOM 0 HA2 GLY A 114 -18.031 -8.646 8.108 1.00 23.55 H new ATOM 0 HA3 GLY A 114 -18.011 -7.690 6.639 1.00 23.55 H new ATOM 1852 N ASN A 115 -19.590 -9.670 5.917 1.00 30.10 N ATOM 1853 CA ASN A 115 -20.303 -10.700 5.169 1.00 4.31 C ATOM 1854 C ASN A 115 -21.311 -10.061 4.213 1.00 71.23 C ATOM 1855 O ASN A 115 -21.848 -8.986 4.501 1.00 63.45 O ATOM 1856 CB ASN A 115 -20.994 -11.661 6.142 1.00 33.02 C ATOM 1857 CG ASN A 115 -21.665 -12.800 5.391 1.00 14.11 C ATOM 1858 OD1 ASN A 115 -21.102 -13.347 4.440 1.00 73.20 O ATOM 1859 ND2 ASN A 115 -22.875 -13.157 5.771 1.00 31.20 N ATOM 0 H ASN A 115 -20.153 -8.842 6.113 1.00 30.10 H new ATOM 0 HA ASN A 115 -19.591 -11.269 4.571 1.00 4.31 H new ATOM 0 HB2 ASN A 115 -20.263 -12.063 6.844 1.00 33.02 H new ATOM 0 HB3 ASN A 115 -21.736 -11.120 6.729 1.00 33.02 H new ATOM 0 HD21 ASN A 115 -23.367 -13.901 5.275 1.00 31.20 H new ATOM 0 HD22 ASN A 115 -23.320 -12.690 6.561 1.00 31.20 H new ATOM 1866 N LYS A 116 -21.584 -10.723 3.086 1.00 62.02 N ATOM 1867 CA LYS A 116 -22.498 -10.282 2.032 1.00 42.53 C ATOM 1868 C LYS A 116 -23.635 -11.278 1.816 1.00 13.42 C ATOM 1869 O LYS A 116 -23.666 -12.345 2.424 1.00 35.43 O ATOM 1870 CB LYS A 116 -21.710 -10.069 0.726 1.00 74.42 C ATOM 1871 CG LYS A 116 -20.975 -11.332 0.245 1.00 4.45 C ATOM 1872 CD LYS A 116 -20.843 -11.343 -1.280 1.00 40.30 C ATOM 1873 CE LYS A 116 -20.198 -12.662 -1.711 1.00 44.13 C ATOM 1874 NZ LYS A 116 -20.409 -12.956 -3.141 1.00 72.45 N ATOM 0 H LYS A 116 -21.153 -11.623 2.875 1.00 62.02 H new ATOM 0 HA LYS A 116 -22.950 -9.340 2.343 1.00 42.53 H new ATOM 0 HB2 LYS A 116 -22.396 -9.737 -0.054 1.00 74.42 H new ATOM 0 HB3 LYS A 116 -20.984 -9.269 0.874 1.00 74.42 H new ATOM 0 HG2 LYS A 116 -19.985 -11.376 0.700 1.00 4.45 H new ATOM 0 HG3 LYS A 116 -21.516 -12.219 0.573 1.00 4.45 H new ATOM 0 HD2 LYS A 116 -21.823 -11.233 -1.744 1.00 40.30 H new ATOM 0 HD3 LYS A 116 -20.237 -10.500 -1.612 1.00 40.30 H new ATOM 0 HE2 LYS A 116 -19.128 -12.623 -1.506 1.00 44.13 H new ATOM 0 HE3 LYS A 116 -20.608 -13.475 -1.112 1.00 44.13 H new ATOM 0 HZ1 LYS A 116 -19.953 -13.859 -3.381 1.00 72.45 H new ATOM 0 HZ2 LYS A 116 -21.429 -13.021 -3.335 1.00 72.45 H new ATOM 0 HZ3 LYS A 116 -19.995 -12.195 -3.717 1.00 72.45 H new ATOM 1888 N LYS A 117 -24.556 -10.929 0.925 1.00 42.43 N ATOM 1889 CA LYS A 117 -25.734 -11.697 0.529 1.00 44.35 C ATOM 1890 C LYS A 117 -25.610 -11.985 -0.970 1.00 4.53 C ATOM 1891 O LYS A 117 -24.504 -12.018 -1.511 1.00 64.04 O ATOM 1892 CB LYS A 117 -26.987 -10.863 0.868 1.00 11.42 C ATOM 1893 CG LYS A 117 -26.982 -9.557 0.057 1.00 72.10 C ATOM 1894 CD LYS A 117 -28.302 -8.800 0.050 1.00 22.30 C ATOM 1895 CE LYS A 117 -28.100 -7.699 -0.994 1.00 24.54 C ATOM 1896 NZ LYS A 117 -29.168 -6.695 -0.952 1.00 41.20 N ATOM 0 H LYS A 117 -24.497 -10.042 0.425 1.00 42.43 H new ATOM 0 HA LYS A 117 -25.815 -12.647 1.057 1.00 44.35 H new ATOM 0 HB2 LYS A 117 -27.887 -11.436 0.645 1.00 11.42 H new ATOM 0 HB3 LYS A 117 -27.008 -10.639 1.935 1.00 11.42 H new ATOM 0 HG2 LYS A 117 -26.207 -8.902 0.456 1.00 72.10 H new ATOM 0 HG3 LYS A 117 -26.707 -9.787 -0.972 1.00 72.10 H new ATOM 0 HD2 LYS A 117 -29.134 -9.453 -0.216 1.00 22.30 H new ATOM 0 HD3 LYS A 117 -28.526 -8.382 1.031 1.00 22.30 H new ATOM 0 HE2 LYS A 117 -27.139 -7.213 -0.826 1.00 24.54 H new ATOM 0 HE3 LYS A 117 -28.062 -8.145 -1.988 1.00 24.54 H new ATOM 0 HZ1 LYS A 117 -28.991 -5.969 -1.675 1.00 41.20 H new ATOM 0 HZ2 LYS A 117 -30.083 -7.153 -1.138 1.00 41.20 H new ATOM 0 HZ3 LYS A 117 -29.189 -6.250 -0.012 1.00 41.20 H new ATOM 1910 N SER A 118 -26.723 -12.256 -1.641 1.00 0.33 N ATOM 1911 CA SER A 118 -26.807 -12.503 -3.066 1.00 22.32 C ATOM 1912 C SER A 118 -27.076 -11.182 -3.799 1.00 61.12 C ATOM 1913 O SER A 118 -27.558 -10.217 -3.204 1.00 51.03 O ATOM 1914 CB SER A 118 -27.961 -13.474 -3.305 1.00 41.34 C ATOM 1915 OG SER A 118 -29.075 -13.240 -2.455 1.00 50.22 O ATOM 0 H SER A 118 -27.631 -12.311 -1.180 1.00 0.33 H new ATOM 0 HA SER A 118 -25.874 -12.926 -3.439 1.00 22.32 H new ATOM 0 HB2 SER A 118 -28.282 -13.397 -4.344 1.00 41.34 H new ATOM 0 HB3 SER A 118 -27.606 -14.494 -3.156 1.00 41.34 H new ATOM 0 HG SER A 118 -29.235 -12.276 -2.384 1.00 50.22 H new ATOM 1921 N GLN A 119 -26.756 -11.125 -5.092 1.00 42.41 N ATOM 1922 CA GLN A 119 -26.978 -9.958 -5.940 1.00 25.53 C ATOM 1923 C GLN A 119 -27.447 -10.491 -7.288 1.00 45.42 C ATOM 1924 O GLN A 119 -27.020 -11.562 -7.733 1.00 4.13 O ATOM 1925 CB GLN A 119 -25.720 -9.077 -6.059 1.00 12.02 C ATOM 1926 CG GLN A 119 -25.477 -8.288 -4.761 1.00 64.34 C ATOM 1927 CD GLN A 119 -24.228 -7.409 -4.780 1.00 34.24 C ATOM 1928 OE1 GLN A 119 -23.404 -7.480 -3.870 1.00 53.54 O ATOM 1929 NE2 GLN A 119 -24.060 -6.507 -5.736 1.00 33.12 N ATOM 0 H GLN A 119 -26.326 -11.906 -5.588 1.00 42.41 H new ATOM 0 HA GLN A 119 -27.731 -9.300 -5.506 1.00 25.53 H new ATOM 0 HB2 GLN A 119 -24.853 -9.701 -6.277 1.00 12.02 H new ATOM 0 HB3 GLN A 119 -25.833 -8.385 -6.894 1.00 12.02 H new ATOM 0 HG2 GLN A 119 -26.346 -7.659 -4.565 1.00 64.34 H new ATOM 0 HG3 GLN A 119 -25.399 -8.991 -3.932 1.00 64.34 H new ATOM 0 HE21 GLN A 119 -24.736 -6.438 -6.496 1.00 33.12 H new ATOM 0 HE22 GLN A 119 -23.254 -5.882 -5.711 1.00 33.12 H new ATOM 1938 N ASP A 120 -28.302 -9.740 -7.957 1.00 53.23 N ATOM 1939 CA ASP A 120 -28.902 -10.051 -9.247 1.00 30.15 C ATOM 1940 C ASP A 120 -29.176 -8.771 -10.020 1.00 4.12 C ATOM 1941 O ASP A 120 -29.040 -7.671 -9.477 1.00 52.42 O ATOM 1942 CB ASP A 120 -30.243 -10.765 -9.036 1.00 45.41 C ATOM 1943 CG ASP A 120 -31.292 -9.849 -8.395 1.00 0.24 C ATOM 1944 OD1 ASP A 120 -32.174 -9.391 -9.145 1.00 33.52 O ATOM 1945 OD2 ASP A 120 -31.177 -9.606 -7.167 1.00 61.04 O ATOM 0 H ASP A 120 -28.617 -8.840 -7.594 1.00 53.23 H new ATOM 0 HA ASP A 120 -28.211 -10.686 -9.801 1.00 30.15 H new ATOM 0 HB2 ASP A 120 -30.615 -11.126 -9.995 1.00 45.41 H new ATOM 0 HB3 ASP A 120 -30.091 -11.640 -8.403 1.00 45.41 H new ATOM 1950 N LEU A 121 -29.469 -8.941 -11.309 1.00 32.54 N ATOM 1951 CA LEU A 121 -29.797 -7.907 -12.269 1.00 52.45 C ATOM 1952 C LEU A 121 -30.581 -8.560 -13.414 1.00 54.22 C ATOM 1953 O LEU A 121 -30.645 -9.792 -13.516 1.00 63.30 O ATOM 1954 CB LEU A 121 -28.533 -7.242 -12.865 1.00 44.25 C ATOM 1955 CG LEU A 121 -27.879 -6.164 -11.979 1.00 52.50 C ATOM 1956 CD1 LEU A 121 -26.581 -6.688 -11.348 1.00 55.25 C ATOM 1957 CD2 LEU A 121 -27.568 -4.898 -12.787 1.00 32.11 C ATOM 0 H LEU A 121 -29.482 -9.870 -11.730 1.00 32.54 H new ATOM 0 HA LEU A 121 -30.375 -7.136 -11.760 1.00 52.45 H new ATOM 0 HB2 LEU A 121 -27.796 -8.018 -13.069 1.00 44.25 H new ATOM 0 HB3 LEU A 121 -28.796 -6.792 -13.822 1.00 44.25 H new ATOM 0 HG LEU A 121 -28.591 -5.918 -11.191 1.00 52.50 H new ATOM 0 HD11 LEU A 121 -26.138 -5.909 -10.727 1.00 55.25 H new ATOM 0 HD12 LEU A 121 -26.802 -7.560 -10.733 1.00 55.25 H new ATOM 0 HD13 LEU A 121 -25.881 -6.967 -12.135 1.00 55.25 H new ATOM 0 HD21 LEU A 121 -27.107 -4.155 -12.136 1.00 32.11 H new ATOM 0 HD22 LEU A 121 -26.883 -5.144 -13.599 1.00 32.11 H new ATOM 0 HD23 LEU A 121 -28.492 -4.495 -13.201 1.00 32.11 H new ATOM 1969 N LYS A 122 -31.178 -7.725 -14.269 1.00 61.13 N ATOM 1970 CA LYS A 122 -31.933 -8.151 -15.437 1.00 15.40 C ATOM 1971 C LYS A 122 -30.954 -8.745 -16.435 1.00 54.43 C ATOM 1972 O LYS A 122 -31.370 -9.630 -17.210 1.00 33.23 O ATOM 1973 CB LYS A 122 -32.745 -6.963 -15.996 1.00 20.33 C ATOM 1974 CG LYS A 122 -33.371 -7.221 -17.382 1.00 53.33 C ATOM 1975 CD LYS A 122 -32.474 -6.723 -18.533 1.00 72.25 C ATOM 1976 CE LYS A 122 -32.595 -7.572 -19.808 1.00 1.31 C ATOM 1977 NZ LYS A 122 -31.766 -8.797 -19.733 1.00 1.13 N ATOM 0 H LYS A 122 -31.145 -6.711 -14.160 1.00 61.13 H new ATOM 0 HA LYS A 122 -32.664 -8.921 -15.189 1.00 15.40 H new ATOM 0 HB2 LYS A 122 -33.539 -6.717 -15.291 1.00 20.33 H new ATOM 0 HB3 LYS A 122 -32.094 -6.091 -16.060 1.00 20.33 H new ATOM 0 HG2 LYS A 122 -33.553 -8.289 -17.503 1.00 53.33 H new ATOM 0 HG3 LYS A 122 -34.340 -6.724 -17.439 1.00 53.33 H new ATOM 0 HD2 LYS A 122 -32.734 -5.690 -18.766 1.00 72.25 H new ATOM 0 HD3 LYS A 122 -31.436 -6.723 -18.202 1.00 72.25 H new ATOM 0 HE2 LYS A 122 -33.638 -7.848 -19.964 1.00 1.31 H new ATOM 0 HE3 LYS A 122 -32.290 -6.979 -20.670 1.00 1.31 H new ATOM 0 HZ1 LYS A 122 -32.155 -9.519 -20.373 1.00 1.13 H new ATOM 0 HZ2 LYS A 122 -30.790 -8.574 -20.015 1.00 1.13 H new ATOM 0 HZ3 LYS A 122 -31.770 -9.160 -18.758 1.00 1.13 H new TER 1991 LYS A 122