USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 933 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 43 GLN :FLIP amide:sc= -1.78! C(o=-3.1!,f=-1.7!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 174:sc= 0.0315 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 130:sc= -1.39 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.5!) USER MOD Single : A 44 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.2!) USER MOD Single : A 50 ASN : amide:sc=-0.00784 X(o=-0.0078,f=0) USER MOD Single : A 53 THR OG1 : rot -51:sc= 1.19 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.037) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.5!) USER MOD Single : A 84 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.4) USER MOD Single : A 87 TYR OH : rot 165:sc= -1.36! USER MOD Single : A 88 MET CE :methyl 157:sc= -0.224 (180deg=-0.855) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 109 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.092) USER MOD Single : A 115 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 116 GLN : amide:sc= -0.937 K(o=-0.94,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.980 -2.782 -3.842 1.00 74.53 N ATOM 41 CA GLU A 4 -3.049 -2.516 -4.798 1.00 44.43 C ATOM 42 C GLU A 4 -3.728 -3.814 -5.229 1.00 72.00 C ATOM 43 O GLU A 4 -4.916 -3.829 -5.554 1.00 41.22 O ATOM 44 CB GLU A 4 -2.499 -1.785 -6.023 1.00 55.41 C ATOM 45 CG GLU A 4 -3.500 -1.663 -7.160 1.00 51.52 C ATOM 46 CD GLU A 4 -4.800 -1.015 -6.725 1.00 0.52 C ATOM 47 OE1 GLU A 4 -4.744 0.020 -6.029 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -5.873 -1.543 -7.083 1.00 44.14 O ATOM 0 HA GLU A 4 -3.789 -1.883 -4.309 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -2.176 -0.787 -5.726 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -1.615 -2.312 -6.383 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -3.059 -1.078 -7.967 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -3.709 -2.654 -7.563 1.00 51.52 H new ATOM 55 N LEU A 5 -2.966 -4.902 -5.227 1.00 43.24 N ATOM 56 CA LEU A 5 -3.492 -6.205 -5.618 1.00 13.32 C ATOM 57 C LEU A 5 -4.737 -6.554 -4.810 1.00 63.44 C ATOM 58 O LEU A 5 -5.671 -7.173 -5.323 1.00 51.25 O ATOM 59 CB LEU A 5 -2.426 -7.285 -5.427 1.00 63.32 C ATOM 60 CG LEU A 5 -2.199 -7.757 -3.990 1.00 2.52 C ATOM 61 CD1 LEU A 5 -3.094 -8.944 -3.669 1.00 32.23 C ATOM 62 CD2 LEU A 5 -0.737 -8.115 -3.771 1.00 74.41 C ATOM 0 H LEU A 5 -1.982 -4.908 -4.959 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.767 -6.157 -6.672 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.700 -8.149 -6.033 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.481 -6.908 -5.818 1.00 63.32 H new ATOM 0 HG LEU A 5 -2.458 -6.941 -3.315 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -2.918 -9.265 -2.642 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -4.138 -8.654 -3.784 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -2.868 -9.765 -4.350 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -0.594 -8.449 -2.743 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.452 -8.914 -4.455 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -0.116 -7.239 -3.958 1.00 74.41 H new ATOM 74 N LEU A 6 -4.748 -6.152 -3.544 1.00 10.52 N ATOM 75 CA LEU A 6 -5.879 -6.420 -2.665 1.00 13.21 C ATOM 76 C LEU A 6 -7.187 -5.965 -3.306 1.00 51.12 C ATOM 77 O LEU A 6 -8.200 -6.661 -3.234 1.00 73.12 O ATOM 78 CB LEU A 6 -5.686 -5.714 -1.322 1.00 44.03 C ATOM 79 CG LEU A 6 -4.403 -6.057 -0.562 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.095 -4.989 0.476 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.521 -7.425 0.095 1.00 22.10 C ATOM 0 H LEU A 6 -3.985 -5.638 -3.103 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.931 -7.496 -2.499 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.706 -4.638 -1.494 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.537 -5.951 -0.684 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.579 -6.089 -1.275 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.179 -5.250 1.006 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.965 -4.027 -0.019 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -4.919 -4.923 1.186 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.599 -7.652 0.631 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.356 -7.422 0.795 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.692 -8.182 -0.670 1.00 22.10 H new ATOM 93 N ASP A 7 -7.156 -4.796 -3.937 1.00 4.52 N ATOM 94 CA ASP A 7 -8.338 -4.251 -4.594 1.00 25.12 C ATOM 95 C ASP A 7 -8.732 -5.102 -5.796 1.00 33.21 C ATOM 96 O ASP A 7 -9.909 -5.194 -6.144 1.00 24.02 O ATOM 97 CB ASP A 7 -8.080 -2.809 -5.037 1.00 34.32 C ATOM 98 CG ASP A 7 -9.326 -2.141 -5.585 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.081 -1.549 -4.786 1.00 34.22 O ATOM 100 OD2 ASP A 7 -9.547 -2.210 -6.813 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.325 -4.208 -4.007 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.160 -4.263 -3.879 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.705 -2.233 -4.191 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.301 -2.800 -5.799 1.00 34.32 H new ATOM 105 N ALA A 8 -7.740 -5.722 -6.427 1.00 74.43 N ATOM 106 CA ALA A 8 -7.985 -6.568 -7.589 1.00 44.45 C ATOM 107 C ALA A 8 -8.975 -7.680 -7.261 1.00 72.11 C ATOM 108 O ALA A 8 -9.964 -7.874 -7.969 1.00 71.43 O ATOM 109 CB ALA A 8 -6.677 -7.156 -8.099 1.00 72.11 C ATOM 0 H ALA A 8 -6.760 -5.654 -6.153 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.422 -5.949 -8.372 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.875 -7.785 -8.967 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.001 -6.349 -8.383 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.217 -7.755 -7.313 1.00 72.11 H new ATOM 115 N LEU A 9 -8.702 -8.410 -6.184 1.00 65.10 N ATOM 116 CA LEU A 9 -9.568 -9.505 -5.763 1.00 30.43 C ATOM 117 C LEU A 9 -11.004 -9.023 -5.581 1.00 2.51 C ATOM 118 O LEU A 9 -11.946 -9.639 -6.082 1.00 14.11 O ATOM 119 CB LEU A 9 -9.054 -10.114 -4.457 1.00 54.45 C ATOM 120 CG LEU A 9 -7.580 -10.519 -4.441 1.00 52.20 C ATOM 121 CD1 LEU A 9 -6.996 -10.354 -3.047 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.415 -11.953 -4.924 1.00 32.24 C ATOM 0 H LEU A 9 -7.888 -8.263 -5.587 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.555 -10.267 -6.542 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.222 -9.396 -3.654 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.655 -10.994 -4.229 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.036 -9.863 -5.121 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -5.946 -10.647 -3.055 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.079 -9.312 -2.739 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.543 -10.985 -2.346 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.359 -12.224 -4.906 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -7.973 -12.624 -4.270 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.794 -12.040 -5.942 1.00 32.24 H new ATOM 134 N THR A 10 -11.166 -7.917 -4.862 1.00 42.42 N ATOM 135 CA THR A 10 -12.486 -7.351 -4.614 1.00 45.22 C ATOM 136 C THR A 10 -13.256 -7.163 -5.916 1.00 33.22 C ATOM 137 O THR A 10 -14.442 -7.483 -5.999 1.00 71.53 O ATOM 138 CB THR A 10 -12.390 -5.997 -3.887 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.680 -6.152 -2.654 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.775 -5.430 -3.613 1.00 62.04 C ATOM 0 H THR A 10 -10.398 -7.395 -4.441 1.00 42.42 H new ATOM 0 HA THR A 10 -13.019 -8.058 -3.978 1.00 45.22 H new ATOM 0 HB THR A 10 -11.851 -5.302 -4.531 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.622 -5.286 -2.199 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.681 -4.473 -3.099 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.302 -5.285 -4.556 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.335 -6.125 -2.987 1.00 62.04 H new ATOM 148 N ILE A 11 -12.575 -6.642 -6.931 1.00 32.10 N ATOM 149 CA ILE A 11 -13.195 -6.413 -8.230 1.00 21.23 C ATOM 150 C ILE A 11 -13.748 -7.710 -8.811 1.00 62.33 C ATOM 151 O ILE A 11 -14.773 -7.709 -9.495 1.00 65.32 O ATOM 152 CB ILE A 11 -12.198 -5.799 -9.231 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.674 -4.461 -8.705 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.855 -5.619 -10.591 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.268 -4.140 -9.163 1.00 14.01 C ATOM 0 H ILE A 11 -11.593 -6.370 -6.879 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.013 -5.711 -8.069 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.354 -6.480 -9.345 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.344 -3.665 -9.030 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.698 -4.474 -7.615 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.138 -5.184 -11.287 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.184 -6.588 -10.967 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.715 -4.956 -10.495 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.962 -3.178 -8.752 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.586 -4.916 -8.815 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.241 -4.095 -10.252 1.00 14.01 H new ATOM 167 N LEU A 12 -13.065 -8.815 -8.534 1.00 75.15 N ATOM 168 CA LEU A 12 -13.489 -10.120 -9.028 1.00 35.45 C ATOM 169 C LEU A 12 -14.819 -10.532 -8.406 1.00 52.41 C ATOM 170 O LEU A 12 -15.578 -11.300 -8.996 1.00 23.30 O ATOM 171 CB LEU A 12 -12.421 -11.173 -8.722 1.00 52.11 C ATOM 172 CG LEU A 12 -10.993 -10.822 -9.140 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.062 -12.001 -8.900 1.00 0.53 C ATOM 174 CD2 LEU A 12 -10.954 -10.399 -10.602 1.00 60.44 C ATOM 0 H LEU A 12 -12.215 -8.833 -7.970 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.622 -10.048 -10.107 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.427 -11.366 -7.649 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.704 -12.103 -9.215 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.652 -9.985 -8.531 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.050 -11.733 -9.203 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.067 -12.259 -7.841 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.401 -12.857 -9.484 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -9.930 -10.153 -10.882 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.315 -11.216 -11.227 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.589 -9.525 -10.745 1.00 60.44 H new ATOM 186 N GLU A 13 -15.094 -10.015 -7.212 1.00 2.20 N ATOM 187 CA GLU A 13 -16.334 -10.329 -6.512 1.00 73.44 C ATOM 188 C GLU A 13 -17.547 -9.982 -7.371 1.00 24.32 C ATOM 189 O GLU A 13 -18.609 -10.591 -7.240 1.00 32.15 O ATOM 190 CB GLU A 13 -16.402 -9.571 -5.185 1.00 53.14 C ATOM 191 CG GLU A 13 -17.375 -10.176 -4.187 1.00 32.32 C ATOM 192 CD GLU A 13 -18.757 -9.557 -4.271 1.00 22.03 C ATOM 193 OE1 GLU A 13 -18.845 -8.316 -4.372 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -19.749 -10.314 -4.235 1.00 5.24 O ATOM 0 H GLU A 13 -14.475 -9.378 -6.710 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.347 -11.400 -6.312 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -15.407 -9.545 -4.740 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.691 -8.538 -5.381 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.450 -11.249 -4.363 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.983 -10.045 -3.178 1.00 32.32 H new ATOM 201 N LYS A 14 -17.380 -9.000 -8.251 1.00 41.41 N ATOM 202 CA LYS A 14 -18.459 -8.572 -9.133 1.00 53.15 C ATOM 203 C LYS A 14 -18.918 -9.719 -10.027 1.00 32.03 C ATOM 204 O LYS A 14 -20.056 -9.732 -10.497 1.00 33.02 O ATOM 205 CB LYS A 14 -18.003 -7.391 -9.993 1.00 52.04 C ATOM 206 CG LYS A 14 -19.149 -6.621 -10.626 1.00 23.23 C ATOM 207 CD LYS A 14 -18.646 -5.440 -11.440 1.00 74.34 C ATOM 208 CE LYS A 14 -18.249 -5.863 -12.846 1.00 0.54 C ATOM 209 NZ LYS A 14 -18.267 -4.715 -13.795 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.507 -8.486 -8.372 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.300 -8.259 -8.514 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.415 -6.710 -9.378 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -17.345 -7.758 -10.780 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -19.725 -7.287 -11.268 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -19.824 -6.266 -9.847 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.422 -4.676 -11.494 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -17.790 -4.989 -10.939 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -17.252 -6.302 -12.825 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -18.931 -6.637 -13.199 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -17.991 -5.043 -14.742 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -19.225 -4.312 -13.834 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -17.598 -3.987 -13.472 1.00 44.11 H new ATOM 223 N GLU A 15 -18.028 -10.679 -10.255 1.00 31.13 N ATOM 224 CA GLU A 15 -18.345 -11.830 -11.093 1.00 10.21 C ATOM 225 C GLU A 15 -19.542 -12.595 -10.536 1.00 74.31 C ATOM 226 O GLU A 15 -20.148 -12.186 -9.546 1.00 23.34 O ATOM 227 CB GLU A 15 -17.134 -12.760 -11.198 1.00 45.25 C ATOM 228 CG GLU A 15 -16.051 -12.246 -12.132 1.00 55.15 C ATOM 229 CD GLU A 15 -16.589 -11.874 -13.501 1.00 24.20 C ATOM 230 OE1 GLU A 15 -17.309 -12.699 -14.100 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -16.288 -10.757 -13.971 1.00 1.53 O ATOM 0 H GLU A 15 -17.083 -10.683 -9.872 1.00 31.13 H new ATOM 0 HA GLU A 15 -18.601 -11.465 -12.088 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -16.708 -12.902 -10.205 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -17.467 -13.738 -11.545 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -15.574 -11.374 -11.684 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -15.281 -13.009 -12.244 1.00 55.15 H new ATOM 238 N LYS A 16 -19.876 -13.708 -11.180 1.00 54.02 N ATOM 239 CA LYS A 16 -20.999 -14.533 -10.751 1.00 15.32 C ATOM 240 C LYS A 16 -20.671 -16.016 -10.893 1.00 60.10 C ATOM 241 O LYS A 16 -20.035 -16.430 -11.861 1.00 20.10 O ATOM 242 CB LYS A 16 -22.248 -14.194 -11.569 1.00 20.41 C ATOM 243 CG LYS A 16 -22.185 -14.685 -13.005 1.00 32.52 C ATOM 244 CD LYS A 16 -22.929 -15.998 -13.178 1.00 20.11 C ATOM 245 CE LYS A 16 -22.242 -16.897 -14.195 1.00 73.12 C ATOM 246 NZ LYS A 16 -23.046 -18.116 -14.491 1.00 30.23 N1+ ATOM 0 H LYS A 16 -19.385 -14.060 -12.002 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.192 -14.322 -9.699 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.120 -14.630 -11.082 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -22.390 -13.113 -11.569 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -22.614 -13.933 -13.667 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -21.144 -14.814 -13.301 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -22.990 -16.512 -12.219 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.952 -15.799 -13.499 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -22.074 -16.340 -15.117 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -21.263 -17.191 -13.817 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -22.544 -18.702 -15.188 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -23.185 -18.661 -13.616 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -23.971 -17.837 -14.876 1.00 30.23 H new ATOM 260 N GLY A 17 -21.112 -16.810 -9.922 1.00 53.14 N ATOM 261 CA GLY A 17 -20.856 -18.238 -9.960 1.00 1.24 C ATOM 262 C GLY A 17 -19.458 -18.589 -9.489 1.00 24.31 C ATOM 263 O GLY A 17 -19.084 -19.762 -9.458 1.00 30.33 O ATOM 0 H GLY A 17 -21.641 -16.490 -9.111 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.586 -18.752 -9.335 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.995 -18.602 -10.978 1.00 1.24 H new ATOM 267 N ILE A 18 -18.686 -17.573 -9.123 1.00 51.44 N ATOM 268 CA ILE A 18 -17.322 -17.780 -8.653 1.00 32.50 C ATOM 269 C ILE A 18 -17.059 -17.000 -7.368 1.00 3.32 C ATOM 270 O ILE A 18 -17.864 -16.162 -6.963 1.00 25.41 O ATOM 271 CB ILE A 18 -16.290 -17.359 -9.715 1.00 45.15 C ATOM 272 CG1 ILE A 18 -16.308 -15.841 -9.903 1.00 2.33 C ATOM 273 CG2 ILE A 18 -16.569 -18.066 -11.033 1.00 34.32 C ATOM 274 CD1 ILE A 18 -15.321 -15.348 -10.938 1.00 3.12 C ATOM 0 H ILE A 18 -18.982 -16.597 -9.143 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.215 -18.847 -8.457 1.00 32.50 H new ATOM 0 HB ILE A 18 -15.297 -17.651 -9.372 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.312 -15.531 -10.193 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -16.090 -15.362 -8.948 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.831 -17.758 -11.774 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -16.509 -19.145 -10.887 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -17.567 -17.802 -11.383 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -15.389 -14.263 -11.018 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -14.311 -15.627 -10.639 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.551 -15.798 -11.904 1.00 3.12 H new ATOM 286 N SER A 19 -15.926 -17.283 -6.733 1.00 72.20 N ATOM 287 CA SER A 19 -15.557 -16.611 -5.493 1.00 5.03 C ATOM 288 C SER A 19 -14.082 -16.219 -5.505 1.00 10.11 C ATOM 289 O SER A 19 -13.240 -16.943 -6.036 1.00 55.41 O ATOM 290 CB SER A 19 -15.847 -17.513 -4.293 1.00 70.31 C ATOM 291 OG SER A 19 -15.690 -16.807 -3.074 1.00 12.11 O ATOM 0 H SER A 19 -15.248 -17.973 -7.057 1.00 72.20 H new ATOM 0 HA SER A 19 -16.155 -15.704 -5.409 1.00 5.03 H new ATOM 0 HB2 SER A 19 -16.863 -17.902 -4.363 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.175 -18.371 -4.309 1.00 70.31 H new ATOM 0 HG SER A 19 -16.482 -16.943 -2.513 1.00 12.11 H new ATOM 297 N LYS A 20 -13.777 -15.067 -4.918 1.00 21.45 N ATOM 298 CA LYS A 20 -12.406 -14.577 -4.858 1.00 74.43 C ATOM 299 C LYS A 20 -11.564 -15.429 -3.914 1.00 44.01 C ATOM 300 O LYS A 20 -10.337 -15.453 -4.012 1.00 62.25 O ATOM 301 CB LYS A 20 -12.383 -13.116 -4.402 1.00 25.14 C ATOM 302 CG LYS A 20 -13.135 -12.873 -3.105 1.00 31.04 C ATOM 303 CD LYS A 20 -12.190 -12.527 -1.967 1.00 45.33 C ATOM 304 CE LYS A 20 -11.833 -11.048 -1.971 1.00 73.32 C ATOM 305 NZ LYS A 20 -12.580 -10.294 -0.928 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.463 -14.454 -4.476 1.00 21.45 H new ATOM 0 HA LYS A 20 -11.979 -14.645 -5.859 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.348 -12.799 -4.277 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.815 -12.493 -5.185 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.850 -12.062 -3.245 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.709 -13.762 -2.844 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.653 -12.788 -1.015 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.281 -13.122 -2.053 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -10.762 -10.933 -1.805 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.051 -10.625 -2.951 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -12.309 -9.291 -0.964 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -13.602 -10.383 -1.100 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -12.352 -10.681 0.010 1.00 24.23 H new ATOM 319 N GLU A 21 -12.231 -16.129 -3.001 1.00 64.52 N ATOM 320 CA GLU A 21 -11.542 -16.982 -2.040 1.00 11.33 C ATOM 321 C GLU A 21 -10.618 -17.966 -2.751 1.00 34.03 C ATOM 322 O GLU A 21 -9.538 -18.287 -2.256 1.00 42.53 O ATOM 323 CB GLU A 21 -12.556 -17.744 -1.184 1.00 34.13 C ATOM 324 CG GLU A 21 -13.519 -18.596 -1.994 1.00 74.01 C ATOM 325 CD GLU A 21 -14.849 -18.798 -1.295 1.00 20.11 C ATOM 326 OE1 GLU A 21 -15.332 -17.842 -0.653 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.406 -19.912 -1.389 1.00 12.41 O ATOM 0 H GLU A 21 -13.247 -16.122 -2.907 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.938 -16.345 -1.394 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.019 -18.384 -0.483 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -13.127 -17.030 -0.590 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.689 -18.124 -2.962 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.064 -19.567 -2.188 1.00 74.01 H new ATOM 334 N ILE A 22 -11.053 -18.443 -3.913 1.00 11.12 N ATOM 335 CA ILE A 22 -10.265 -19.389 -4.692 1.00 52.11 C ATOM 336 C ILE A 22 -9.142 -18.683 -5.444 1.00 5.14 C ATOM 337 O ILE A 22 -8.124 -19.291 -5.773 1.00 62.02 O ATOM 338 CB ILE A 22 -11.141 -20.154 -5.702 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.277 -20.880 -4.977 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.297 -21.140 -6.496 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.636 -20.260 -5.211 1.00 40.42 C ATOM 0 H ILE A 22 -11.946 -18.190 -4.335 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.835 -20.098 -3.985 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.578 -19.437 -6.398 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.300 -21.920 -5.304 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.069 -20.886 -3.907 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.931 -21.673 -7.205 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.520 -20.600 -7.038 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.835 -21.854 -5.815 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.393 -20.826 -4.667 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.631 -19.229 -4.858 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.866 -20.278 -6.276 1.00 40.42 H new ATOM 353 N ILE A 23 -9.335 -17.395 -5.711 1.00 13.43 N ATOM 354 CA ILE A 23 -8.337 -16.606 -6.421 1.00 72.34 C ATOM 355 C ILE A 23 -7.056 -16.473 -5.603 1.00 55.40 C ATOM 356 O ILE A 23 -5.952 -16.580 -6.138 1.00 31.34 O ATOM 357 CB ILE A 23 -8.866 -15.199 -6.755 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.157 -15.295 -7.572 1.00 1.43 C ATOM 359 CG2 ILE A 23 -7.813 -14.401 -7.511 1.00 41.41 C ATOM 360 CD1 ILE A 23 -9.958 -15.903 -8.943 1.00 34.01 C ATOM 0 H ILE A 23 -10.173 -16.877 -5.446 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.120 -17.135 -7.349 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.086 -14.680 -5.822 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -10.884 -15.892 -7.020 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.582 -14.298 -7.683 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.203 -13.409 -7.739 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -6.918 -14.306 -6.897 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.564 -14.915 -8.439 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -10.913 -15.940 -9.467 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.256 -15.294 -9.512 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.561 -16.913 -8.839 1.00 34.01 H new ATOM 372 N ILE A 24 -7.212 -16.243 -4.304 1.00 51.31 N ATOM 373 CA ILE A 24 -6.068 -16.100 -3.412 1.00 74.21 C ATOM 374 C ILE A 24 -5.111 -17.280 -3.551 1.00 44.54 C ATOM 375 O ILE A 24 -3.893 -17.106 -3.551 1.00 32.23 O ATOM 376 CB ILE A 24 -6.512 -15.984 -1.942 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.305 -14.694 -1.726 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.303 -16.031 -1.019 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.798 -14.912 -1.624 1.00 31.23 C ATOM 0 H ILE A 24 -8.119 -16.152 -3.846 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.555 -15.183 -3.702 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.159 -16.829 -1.705 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.954 -14.210 -0.815 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.101 -14.010 -2.550 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.632 -15.948 0.017 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.776 -16.975 -1.158 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.633 -15.204 -1.254 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.296 -13.954 -1.471 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.163 -15.368 -2.544 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.013 -15.571 -0.783 1.00 31.23 H new ATOM 391 N GLU A 25 -5.672 -18.479 -3.671 1.00 72.53 N ATOM 392 CA GLU A 25 -4.868 -19.687 -3.813 1.00 43.13 C ATOM 393 C GLU A 25 -4.075 -19.663 -5.115 1.00 2.50 C ATOM 394 O GLU A 25 -3.000 -20.256 -5.211 1.00 34.42 O ATOM 395 CB GLU A 25 -5.761 -20.929 -3.769 1.00 73.04 C ATOM 396 CG GLU A 25 -6.635 -21.007 -2.528 1.00 44.41 C ATOM 397 CD GLU A 25 -5.866 -21.458 -1.301 1.00 73.01 C ATOM 398 OE1 GLU A 25 -5.121 -22.455 -1.400 1.00 32.20 O ATOM 399 OE2 GLU A 25 -6.010 -20.812 -0.241 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.679 -18.640 -3.673 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.165 -19.724 -2.981 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.398 -20.939 -4.653 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.134 -21.819 -3.818 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -7.076 -20.029 -2.337 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.458 -21.698 -2.711 1.00 44.41 H new ATOM 406 N ALA A 26 -4.612 -18.974 -6.116 1.00 1.41 N ATOM 407 CA ALA A 26 -3.954 -18.871 -7.413 1.00 44.13 C ATOM 408 C ALA A 26 -2.744 -17.945 -7.343 1.00 13.13 C ATOM 409 O ALA A 26 -1.696 -18.236 -7.919 1.00 24.00 O ATOM 410 CB ALA A 26 -4.936 -18.379 -8.465 1.00 14.40 C ATOM 0 H ALA A 26 -5.501 -18.478 -6.054 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.603 -19.864 -7.694 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.431 -18.307 -9.428 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.767 -19.080 -8.543 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.314 -17.397 -8.179 1.00 14.40 H new ATOM 416 N ILE A 27 -2.897 -16.832 -6.635 1.00 44.10 N ATOM 417 CA ILE A 27 -1.815 -15.865 -6.490 1.00 13.45 C ATOM 418 C ILE A 27 -0.560 -16.524 -5.927 1.00 13.44 C ATOM 419 O ILE A 27 0.515 -16.438 -6.519 1.00 54.42 O ATOM 420 CB ILE A 27 -2.224 -14.698 -5.571 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.113 -13.710 -6.331 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.989 -13.996 -5.027 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.589 -14.028 -6.234 1.00 74.33 C ATOM 0 H ILE A 27 -3.759 -16.577 -6.153 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.603 -15.477 -7.486 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.792 -15.097 -4.731 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.940 -12.706 -5.944 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.819 -13.702 -7.381 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.293 -13.174 -4.379 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.389 -14.705 -4.456 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.398 -13.606 -5.855 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.158 -13.287 -6.796 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.776 -15.019 -6.648 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.898 -14.007 -5.189 1.00 74.33 H new ATOM 435 N GLU A 28 -0.707 -17.183 -4.783 1.00 54.21 N ATOM 436 CA GLU A 28 0.415 -17.858 -4.142 1.00 54.51 C ATOM 437 C GLU A 28 0.981 -18.951 -5.044 1.00 43.41 C ATOM 438 O GLU A 28 2.196 -19.105 -5.163 1.00 43.02 O ATOM 439 CB GLU A 28 -0.019 -18.460 -2.804 1.00 64.12 C ATOM 440 CG GLU A 28 -1.343 -19.204 -2.873 1.00 40.22 C ATOM 441 CD GLU A 28 -1.643 -19.980 -1.605 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.853 -19.340 -0.554 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -1.667 -21.227 -1.665 1.00 63.03 O ATOM 0 H GLU A 28 -1.591 -17.264 -4.281 1.00 54.21 H new ATOM 0 HA GLU A 28 1.195 -17.118 -3.963 1.00 54.51 H new ATOM 0 HB2 GLU A 28 0.755 -19.144 -2.455 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.098 -17.663 -2.065 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -2.147 -18.491 -3.057 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.326 -19.891 -3.719 1.00 40.22 H new ATOM 450 N ALA A 29 0.090 -19.706 -5.678 1.00 30.04 N ATOM 451 CA ALA A 29 0.500 -20.783 -6.571 1.00 12.54 C ATOM 452 C ALA A 29 1.354 -20.251 -7.718 1.00 13.03 C ATOM 453 O ALA A 29 2.209 -20.960 -8.247 1.00 61.31 O ATOM 454 CB ALA A 29 -0.722 -21.511 -7.114 1.00 31.13 C ATOM 0 H ALA A 29 -0.920 -19.592 -5.590 1.00 30.04 H new ATOM 0 HA ALA A 29 1.105 -21.486 -5.999 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.402 -22.313 -7.779 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.292 -21.932 -6.286 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.348 -20.810 -7.666 1.00 31.13 H new ATOM 460 N ALA A 30 1.115 -19.000 -8.096 1.00 53.23 N ATOM 461 CA ALA A 30 1.864 -18.374 -9.179 1.00 23.45 C ATOM 462 C ALA A 30 3.263 -17.976 -8.720 1.00 61.02 C ATOM 463 O ALA A 30 4.259 -18.343 -9.343 1.00 51.44 O ATOM 464 CB ALA A 30 1.114 -17.159 -9.705 1.00 32.41 C ATOM 0 H ALA A 30 0.409 -18.400 -7.669 1.00 53.23 H new ATOM 0 HA ALA A 30 1.967 -19.101 -9.985 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.684 -16.701 -10.513 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.138 -17.468 -10.079 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.982 -16.436 -8.900 1.00 32.41 H new ATOM 470 N LEU A 31 3.330 -17.223 -7.628 1.00 5.35 N ATOM 471 CA LEU A 31 4.608 -16.775 -7.086 1.00 1.23 C ATOM 472 C LEU A 31 5.536 -17.958 -6.828 1.00 21.11 C ATOM 473 O LEU A 31 6.685 -17.966 -7.269 1.00 34.51 O ATOM 474 CB LEU A 31 4.389 -15.993 -5.789 1.00 45.33 C ATOM 475 CG LEU A 31 3.965 -14.533 -5.949 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.455 -14.398 -5.821 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.670 -13.656 -4.924 1.00 43.31 C ATOM 0 H LEU A 31 2.515 -16.910 -7.101 1.00 5.35 H new ATOM 0 HA LEU A 31 5.077 -16.123 -7.822 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.630 -16.509 -5.201 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.313 -16.021 -5.211 1.00 45.33 H new ATOM 0 HG LEU A 31 4.256 -14.198 -6.945 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.172 -13.352 -5.938 1.00 53.12 H new ATOM 0 HD12 LEU A 31 1.970 -14.994 -6.594 1.00 53.12 H new ATOM 0 HD13 LEU A 31 2.140 -14.752 -4.839 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.356 -12.620 -5.054 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.411 -13.991 -3.919 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.749 -13.728 -5.064 1.00 43.31 H new ATOM 489 N ILE A 32 5.029 -18.956 -6.112 1.00 24.45 N ATOM 490 CA ILE A 32 5.810 -20.146 -5.800 1.00 71.03 C ATOM 491 C ILE A 32 6.307 -20.828 -7.071 1.00 24.23 C ATOM 492 O ILE A 32 7.443 -21.297 -7.133 1.00 63.05 O ATOM 493 CB ILE A 32 4.992 -21.157 -4.975 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.825 -22.409 -4.691 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.709 -21.522 -5.706 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.417 -23.131 -3.426 1.00 4.22 C ATOM 0 H ILE A 32 4.080 -18.964 -5.737 1.00 24.45 H new ATOM 0 HA ILE A 32 6.665 -19.815 -5.210 1.00 71.03 H new ATOM 0 HB ILE A 32 4.726 -20.697 -4.023 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.737 -23.093 -5.535 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.875 -22.128 -4.617 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.142 -22.237 -5.110 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.111 -20.624 -5.862 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.954 -21.967 -6.671 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.049 -24.008 -3.288 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.532 -22.463 -2.573 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.376 -23.443 -3.505 1.00 4.22 H new ATOM 508 N SER A 33 5.447 -20.876 -8.084 1.00 23.51 N ATOM 509 CA SER A 33 5.798 -21.503 -9.353 1.00 62.33 C ATOM 510 C SER A 33 6.845 -20.678 -10.095 1.00 1.44 C ATOM 511 O SER A 33 7.731 -21.225 -10.752 1.00 2.10 O ATOM 512 CB SER A 33 4.551 -21.667 -10.225 1.00 3.21 C ATOM 513 OG SER A 33 4.890 -21.684 -11.601 1.00 24.42 O ATOM 0 H SER A 33 4.504 -20.489 -8.051 1.00 23.51 H new ATOM 0 HA SER A 33 6.218 -22.486 -9.141 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.039 -22.592 -9.962 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.856 -20.851 -10.028 1.00 3.21 H new ATOM 0 HG SER A 33 4.077 -21.791 -12.137 1.00 24.42 H new ATOM 519 N ALA A 34 6.737 -19.357 -9.984 1.00 22.53 N ATOM 520 CA ALA A 34 7.675 -18.456 -10.642 1.00 1.34 C ATOM 521 C ALA A 34 9.076 -18.600 -10.058 1.00 52.14 C ATOM 522 O ALA A 34 10.066 -18.613 -10.790 1.00 62.24 O ATOM 523 CB ALA A 34 7.197 -17.017 -10.521 1.00 23.24 C ATOM 0 H ALA A 34 6.009 -18.888 -9.445 1.00 22.53 H new ATOM 0 HA ALA A 34 7.720 -18.725 -11.697 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.907 -16.355 -11.017 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.219 -16.918 -10.991 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.122 -16.746 -9.468 1.00 23.24 H new ATOM 529 N TYR A 35 9.152 -18.710 -8.737 1.00 60.44 N ATOM 530 CA TYR A 35 10.434 -18.850 -8.054 1.00 42.44 C ATOM 531 C TYR A 35 10.956 -20.279 -8.165 1.00 40.45 C ATOM 532 O TYR A 35 12.164 -20.517 -8.121 1.00 13.24 O ATOM 533 CB TYR A 35 10.297 -18.459 -6.581 1.00 14.41 C ATOM 534 CG TYR A 35 11.546 -18.714 -5.769 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.764 -19.945 -5.164 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.506 -17.723 -5.605 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.904 -20.183 -4.419 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.649 -17.952 -4.864 1.00 13.02 C ATOM 539 CZ TYR A 35 13.843 -19.183 -4.272 1.00 1.20 C ATOM 540 OH TYR A 35 14.980 -19.415 -3.532 1.00 72.42 O ATOM 0 H TYR A 35 8.342 -18.705 -8.117 1.00 60.44 H new ATOM 0 HA TYR A 35 11.148 -18.182 -8.535 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.041 -17.401 -6.517 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.468 -19.014 -6.142 1.00 14.41 H new ATOM 0 HD1 TYR A 35 11.031 -20.730 -5.277 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.356 -16.757 -6.065 1.00 31.21 H new ATOM 0 HE1 TYR A 35 13.059 -21.146 -3.955 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.387 -17.172 -4.749 1.00 13.02 H new ATOM 0 HH TYR A 35 15.538 -18.609 -3.528 1.00 72.42 H new ATOM 550 N LYS A 36 10.039 -21.228 -8.311 1.00 5.13 N ATOM 551 CA LYS A 36 10.404 -22.635 -8.431 1.00 11.15 C ATOM 552 C LYS A 36 11.234 -22.875 -9.688 1.00 32.14 C ATOM 553 O LYS A 36 12.133 -23.718 -9.697 1.00 62.43 O ATOM 554 CB LYS A 36 9.147 -23.508 -8.463 1.00 64.34 C ATOM 555 CG LYS A 36 9.440 -24.997 -8.416 1.00 20.30 C ATOM 556 CD LYS A 36 8.327 -25.764 -7.723 1.00 1.42 C ATOM 557 CE LYS A 36 8.384 -25.589 -6.213 1.00 45.53 C ATOM 558 NZ LYS A 36 7.929 -26.812 -5.495 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.036 -21.049 -8.349 1.00 5.13 H new ATOM 0 HA LYS A 36 11.005 -22.905 -7.562 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.510 -23.245 -7.618 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.583 -23.286 -9.369 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.567 -25.376 -9.430 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.381 -25.167 -7.892 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.361 -25.420 -8.094 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.405 -26.823 -7.971 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.405 -25.351 -5.913 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.761 -24.744 -5.922 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.983 -26.652 -4.469 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.947 -27.026 -5.761 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.540 -27.613 -5.753 1.00 21.13 H new ATOM 572 N ARG A 37 10.930 -22.131 -10.745 1.00 74.25 N ATOM 573 CA ARG A 37 11.649 -22.263 -12.007 1.00 53.51 C ATOM 574 C ARG A 37 13.146 -22.048 -11.804 1.00 13.30 C ATOM 575 O ARG A 37 13.964 -22.530 -12.587 1.00 74.35 O ATOM 576 CB ARG A 37 11.113 -21.262 -13.032 1.00 25.33 C ATOM 577 CG ARG A 37 9.819 -21.703 -13.695 1.00 1.44 C ATOM 578 CD ARG A 37 9.544 -20.910 -14.963 1.00 4.13 C ATOM 579 NE ARG A 37 8.219 -21.191 -15.508 1.00 22.22 N ATOM 580 CZ ARG A 37 7.094 -20.713 -14.989 1.00 71.43 C ATOM 581 NH1 ARG A 37 7.133 -19.934 -13.917 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 5.925 -21.014 -15.543 1.00 43.33 N ATOM 0 H ARG A 37 10.190 -21.429 -10.753 1.00 74.25 H new ATOM 0 HA ARG A 37 11.492 -23.274 -12.382 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.951 -20.303 -12.540 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.869 -21.102 -13.801 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.875 -22.765 -13.934 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.990 -21.576 -12.998 1.00 1.44 H new ATOM 0 HD2 ARG A 37 9.630 -19.844 -14.750 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.301 -21.147 -15.710 1.00 4.13 H new ATOM 0 HE ARG A 37 8.154 -21.787 -16.333 1.00 22.22 H new ATOM 0 HH11 ARG A 37 8.029 -19.700 -13.489 1.00 64.15 H new ATOM 0 HH12 ARG A 37 6.267 -19.568 -13.521 1.00 64.15 H new ATOM 0 HH21 ARG A 37 5.891 -21.613 -16.368 1.00 43.33 H new ATOM 0 HH22 ARG A 37 5.062 -20.646 -15.143 1.00 43.33 H new ATOM 596 N ASN A 38 13.496 -21.321 -10.748 1.00 64.14 N ATOM 597 CA ASN A 38 14.895 -21.042 -10.442 1.00 2.44 C ATOM 598 C ASN A 38 15.574 -22.264 -9.833 1.00 62.25 C ATOM 599 O ASN A 38 16.765 -22.496 -10.042 1.00 62.41 O ATOM 600 CB ASN A 38 15.002 -19.855 -9.483 1.00 14.03 C ATOM 601 CG ASN A 38 14.585 -18.548 -10.133 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.502 -17.961 -9.637 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.229 -18.073 -11.068 1.00 43.51 N flip ATOM 0 H ASN A 38 12.831 -20.915 -10.090 1.00 64.14 H new ATOM 0 HA ASN A 38 15.402 -20.795 -11.375 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.377 -20.039 -8.610 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.029 -19.770 -9.127 1.00 14.03 H new ATOM 0 HD21 ASN A 38 16.055 -18.559 -11.417 1.00 43.51 H new ATOM 0 HD22 ASN A 38 14.937 -17.194 -11.494 1.00 43.51 H new ATOM 610 N PHE A 39 14.807 -23.045 -9.078 1.00 74.50 N ATOM 611 CA PHE A 39 15.335 -24.244 -8.438 1.00 13.22 C ATOM 612 C PHE A 39 14.235 -25.284 -8.241 1.00 13.23 C ATOM 613 O PHE A 39 13.804 -25.541 -7.118 1.00 12.23 O ATOM 614 CB PHE A 39 15.967 -23.892 -7.090 1.00 22.33 C ATOM 615 CG PHE A 39 17.147 -22.971 -7.203 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.354 -23.428 -7.706 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.050 -21.646 -6.807 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.442 -22.582 -7.812 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.133 -20.796 -6.911 1.00 73.20 C ATOM 620 CZ PHE A 39 19.331 -21.264 -7.414 1.00 41.30 C ATOM 0 H PHE A 39 13.819 -22.869 -8.895 1.00 74.50 H new ATOM 0 HA PHE A 39 16.099 -24.668 -9.090 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.213 -23.427 -6.455 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.280 -24.811 -6.594 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.446 -24.458 -8.019 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.116 -21.274 -6.412 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.378 -22.951 -8.205 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.043 -19.766 -6.599 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.179 -20.601 -7.496 1.00 41.30 H new ATOM 630 N ASN A 40 13.786 -25.877 -9.342 1.00 5.11 N ATOM 631 CA ASN A 40 12.735 -26.887 -9.292 1.00 31.44 C ATOM 632 C ASN A 40 13.286 -28.220 -8.793 1.00 13.21 C ATOM 633 O ASN A 40 12.819 -28.759 -7.789 1.00 10.21 O ATOM 634 CB ASN A 40 12.106 -27.069 -10.674 1.00 21.11 C ATOM 635 CG ASN A 40 11.332 -28.367 -10.791 1.00 35.33 C ATOM 636 OD1 ASN A 40 11.540 -29.145 -11.723 1.00 34.12 O ATOM 637 ND2 ASN A 40 10.433 -28.607 -9.844 1.00 33.42 N ATOM 0 H ASN A 40 14.133 -25.676 -10.280 1.00 5.11 H new ATOM 0 HA ASN A 40 11.970 -26.545 -8.595 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.439 -26.232 -10.880 1.00 21.11 H new ATOM 0 HB3 ASN A 40 12.889 -27.046 -11.432 1.00 21.11 H new ATOM 0 HD21 ASN A 40 9.881 -29.464 -9.870 1.00 33.42 H new ATOM 0 HD22 ASN A 40 10.294 -27.934 -9.090 1.00 33.42 H new ATOM 644 N GLN A 41 14.282 -28.745 -9.501 1.00 42.41 N ATOM 645 CA GLN A 41 14.896 -30.014 -9.130 1.00 32.21 C ATOM 646 C GLN A 41 16.055 -29.796 -8.163 1.00 10.23 C ATOM 647 O GLN A 41 16.818 -30.718 -7.876 1.00 2.54 O ATOM 648 CB GLN A 41 15.387 -30.751 -10.377 1.00 24.30 C ATOM 649 CG GLN A 41 16.551 -30.063 -11.070 1.00 23.03 C ATOM 650 CD GLN A 41 16.799 -30.600 -12.466 1.00 60.23 C ATOM 651 OE1 GLN A 41 15.975 -31.330 -13.018 1.00 25.31 O ATOM 652 NE2 GLN A 41 17.938 -30.240 -13.046 1.00 53.52 N ATOM 0 H GLN A 41 14.680 -28.311 -10.334 1.00 42.41 H new ATOM 0 HA GLN A 41 14.141 -30.622 -8.631 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.687 -31.761 -10.098 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.561 -30.847 -11.081 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.354 -28.992 -11.126 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.452 -30.190 -10.470 1.00 23.03 H new ATOM 0 HE21 GLN A 41 18.592 -29.633 -12.552 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.158 -30.570 -13.986 1.00 53.52 H new ATOM 661 N ALA A 42 16.183 -28.570 -7.666 1.00 53.10 N ATOM 662 CA ALA A 42 17.249 -28.231 -6.732 1.00 45.11 C ATOM 663 C ALA A 42 16.751 -28.275 -5.292 1.00 30.22 C ATOM 664 O ALA A 42 17.475 -28.690 -4.387 1.00 53.42 O ATOM 665 CB ALA A 42 17.817 -26.857 -7.054 1.00 52.01 C ATOM 0 H ALA A 42 15.561 -27.795 -7.895 1.00 53.10 H new ATOM 0 HA ALA A 42 18.041 -28.973 -6.838 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.612 -26.617 -6.348 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.219 -26.858 -8.067 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.027 -26.110 -6.978 1.00 52.01 H new ATOM 671 N GLN A 43 15.510 -27.843 -5.086 1.00 44.33 N ATOM 672 CA GLN A 43 14.916 -27.832 -3.754 1.00 63.21 C ATOM 673 C GLN A 43 13.455 -27.401 -3.813 1.00 62.24 C ATOM 674 O GLN A 43 13.039 -26.710 -4.743 1.00 74.55 O ATOM 675 CB GLN A 43 15.701 -26.898 -2.831 1.00 72.12 C ATOM 676 CG GLN A 43 15.570 -27.249 -1.358 1.00 43.55 C ATOM 677 CD GLN A 43 15.980 -26.108 -0.448 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.044 -25.637 0.369 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.123 -25.653 -0.478 1.00 50.05 N flip ATOM 0 H GLN A 43 14.897 -27.496 -5.824 1.00 44.33 H new ATOM 0 HA GLN A 43 14.960 -28.845 -3.355 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.754 -26.925 -3.110 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.357 -25.875 -2.984 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.538 -27.526 -1.145 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.186 -28.122 -1.140 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.811 -26.045 -1.121 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.382 -24.884 0.140 1.00 50.05 H new ATOM 688 N ASN A 44 12.681 -27.811 -2.814 1.00 61.24 N ATOM 689 CA ASN A 44 11.265 -27.467 -2.753 1.00 5.03 C ATOM 690 C ASN A 44 11.067 -26.089 -2.130 1.00 45.14 C ATOM 691 O ASN A 44 12.032 -25.400 -1.798 1.00 15.42 O ATOM 692 CB ASN A 44 10.497 -28.518 -1.949 1.00 2.54 C ATOM 693 CG ASN A 44 10.857 -28.493 -0.475 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.815 -27.836 -0.069 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.088 -29.215 0.333 1.00 2.43 N ATOM 0 H ASN A 44 13.010 -28.382 -2.035 1.00 61.24 H new ATOM 0 HA ASN A 44 10.878 -27.445 -3.772 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.426 -28.348 -2.062 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.707 -29.508 -2.355 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.282 -29.240 1.334 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.304 -29.744 -0.048 1.00 2.43 H new ATOM 702 N VAL A 45 9.808 -25.691 -1.975 1.00 44.30 N ATOM 703 CA VAL A 45 9.482 -24.395 -1.390 1.00 71.11 C ATOM 704 C VAL A 45 7.977 -24.244 -1.192 1.00 24.13 C ATOM 705 O VAL A 45 7.183 -24.856 -1.906 1.00 24.45 O ATOM 706 CB VAL A 45 9.991 -23.238 -2.271 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.214 -23.179 -3.577 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.894 -21.917 -1.522 1.00 21.34 C ATOM 0 H VAL A 45 8.997 -26.247 -2.246 1.00 44.30 H new ATOM 0 HA VAL A 45 9.979 -24.351 -0.421 1.00 71.11 H new ATOM 0 HB VAL A 45 11.039 -23.419 -2.509 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.588 -22.356 -4.186 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.340 -24.117 -4.118 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.156 -23.022 -3.364 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.258 -21.110 -2.159 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.855 -21.727 -1.253 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.500 -21.966 -0.617 1.00 21.34 H new ATOM 718 N ARG A 46 7.594 -23.426 -0.218 1.00 33.25 N ATOM 719 CA ARG A 46 6.185 -23.195 0.075 1.00 13.25 C ATOM 720 C ARG A 46 5.919 -21.715 0.334 1.00 35.22 C ATOM 721 O ARG A 46 6.406 -21.148 1.312 1.00 45.34 O ATOM 722 CB ARG A 46 5.751 -24.021 1.288 1.00 60.23 C ATOM 723 CG ARG A 46 6.196 -25.474 1.225 1.00 34.50 C ATOM 724 CD ARG A 46 5.459 -26.236 0.134 1.00 54.54 C ATOM 725 NE ARG A 46 4.135 -26.673 0.571 1.00 74.02 N ATOM 726 CZ ARG A 46 3.243 -27.235 -0.236 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.530 -27.426 -1.516 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 2.060 -27.606 0.236 1.00 42.44 N ATOM 0 H ARG A 46 8.239 -22.912 0.382 1.00 33.25 H new ATOM 0 HA ARG A 46 5.604 -23.505 -0.794 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.155 -23.565 2.192 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.665 -23.986 1.372 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.269 -25.519 1.040 1.00 34.50 H new ATOM 0 HG3 ARG A 46 6.018 -25.952 2.188 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.359 -25.602 -0.747 1.00 54.54 H new ATOM 0 HD3 ARG A 46 6.048 -27.104 -0.163 1.00 54.54 H new ATOM 0 HE ARG A 46 3.882 -26.539 1.550 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.438 -27.141 -1.883 1.00 53.11 H new ATOM 0 HH12 ARG A 46 2.843 -27.858 -2.134 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.835 -27.460 1.220 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.376 -28.038 -0.385 1.00 42.44 H new ATOM 742 N VAL A 47 5.144 -21.096 -0.550 1.00 13.15 N ATOM 743 CA VAL A 47 4.811 -19.681 -0.418 1.00 40.55 C ATOM 744 C VAL A 47 3.469 -19.495 0.280 1.00 21.11 C ATOM 745 O VAL A 47 2.544 -20.285 0.090 1.00 40.40 O ATOM 746 CB VAL A 47 4.765 -18.985 -1.791 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.379 -17.522 -1.634 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.104 -19.118 -2.500 1.00 3.11 C ATOM 0 H VAL A 47 4.734 -21.551 -1.366 1.00 13.15 H new ATOM 0 HA VAL A 47 5.596 -19.226 0.185 1.00 40.55 H new ATOM 0 HB VAL A 47 4.006 -19.473 -2.402 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.351 -17.046 -2.614 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.395 -17.453 -1.169 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.113 -17.017 -1.006 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.054 -18.621 -3.469 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.884 -18.656 -1.895 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.335 -20.173 -2.646 1.00 3.11 H new ATOM 758 N ASP A 48 3.369 -18.446 1.089 1.00 31.11 N ATOM 759 CA ASP A 48 2.139 -18.154 1.814 1.00 72.44 C ATOM 760 C ASP A 48 1.716 -16.703 1.604 1.00 70.23 C ATOM 761 O ASP A 48 2.380 -15.777 2.071 1.00 21.40 O ATOM 762 CB ASP A 48 2.324 -18.432 3.306 1.00 33.25 C ATOM 763 CG ASP A 48 1.046 -18.911 3.968 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.056 -18.149 3.967 1.00 32.52 O1- ATOM 765 OD2 ASP A 48 1.035 -20.047 4.485 1.00 23.12 O ATOM 0 H ASP A 48 4.126 -17.784 1.259 1.00 31.11 H new ATOM 0 HA ASP A 48 1.354 -18.803 1.425 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.102 -19.183 3.439 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.669 -17.525 3.802 1.00 33.25 H new ATOM 770 N LEU A 49 0.606 -16.512 0.899 1.00 24.33 N ATOM 771 CA LEU A 49 0.094 -15.174 0.625 1.00 74.30 C ATOM 772 C LEU A 49 -0.754 -14.667 1.788 1.00 41.23 C ATOM 773 O LEU A 49 -1.431 -15.445 2.461 1.00 13.24 O ATOM 774 CB LEU A 49 -0.733 -15.176 -0.661 1.00 25.14 C ATOM 775 CG LEU A 49 -1.534 -13.904 -0.946 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.601 -12.742 -1.244 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.496 -14.128 -2.104 1.00 21.20 C ATOM 0 H LEU A 49 0.043 -17.267 0.507 1.00 24.33 H new ATOM 0 HA LEU A 49 0.945 -14.505 0.501 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.062 -15.354 -1.501 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.426 -16.017 -0.623 1.00 25.14 H new ATOM 0 HG LEU A 49 -2.116 -13.658 -0.058 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -1.188 -11.846 -1.444 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.047 -12.567 -0.386 1.00 52.13 H new ATOM 0 HD13 LEU A 49 0.008 -12.979 -2.116 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -3.057 -13.213 -2.293 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -1.933 -14.399 -2.997 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.187 -14.932 -1.852 1.00 21.20 H new ATOM 789 N ASN A 50 -0.715 -13.359 2.017 1.00 2.14 N ATOM 790 CA ASN A 50 -1.481 -12.749 3.098 1.00 51.24 C ATOM 791 C ASN A 50 -2.331 -11.593 2.577 1.00 73.32 C ATOM 792 O ASN A 50 -1.854 -10.465 2.454 1.00 30.13 O ATOM 793 CB ASN A 50 -0.541 -12.250 4.198 1.00 23.52 C ATOM 794 CG ASN A 50 -0.028 -13.376 5.075 1.00 61.45 C ATOM 795 OD1 ASN A 50 1.123 -13.795 4.955 1.00 42.53 O ATOM 796 ND2 ASN A 50 -0.884 -13.871 5.962 1.00 44.50 N ATOM 0 H ASN A 50 -0.161 -12.701 1.469 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.145 -13.507 3.513 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.304 -11.734 3.743 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.065 -11.521 4.817 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -0.597 -14.630 6.579 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -1.829 -13.492 6.026 1.00 44.50 H new ATOM 803 N ARG A 51 -3.590 -11.884 2.271 1.00 0.13 N ATOM 804 CA ARG A 51 -4.507 -10.870 1.763 1.00 51.01 C ATOM 805 C ARG A 51 -4.817 -9.831 2.836 1.00 31.24 C ATOM 806 O ARG A 51 -5.374 -8.773 2.545 1.00 2.24 O ATOM 807 CB ARG A 51 -5.804 -11.522 1.278 1.00 21.12 C ATOM 808 CG ARG A 51 -6.640 -12.120 2.399 1.00 33.14 C ATOM 809 CD ARG A 51 -7.989 -12.604 1.888 1.00 3.53 C ATOM 810 NE ARG A 51 -8.788 -13.212 2.949 1.00 0.04 N ATOM 811 CZ ARG A 51 -8.625 -14.462 3.368 1.00 72.34 C ATOM 812 NH1 ARG A 51 -7.697 -15.233 2.819 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -9.392 -14.942 4.339 1.00 73.32 N ATOM 0 H ARG A 51 -3.999 -12.813 2.366 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.025 -10.368 0.924 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.399 -10.778 0.749 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.561 -12.305 0.560 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.101 -12.952 2.853 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.791 -11.375 3.180 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.536 -11.765 1.457 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -7.835 -13.329 1.089 1.00 3.53 H new ATOM 0 HE ARG A 51 -9.511 -12.645 3.393 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -7.106 -14.867 2.073 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -7.574 -16.192 3.143 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.107 -14.351 4.764 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -9.267 -15.902 4.661 1.00 73.32 H new ATOM 827 N GLU A 52 -4.453 -10.140 4.076 1.00 34.15 N ATOM 828 CA GLU A 52 -4.693 -9.233 5.192 1.00 24.22 C ATOM 829 C GLU A 52 -3.864 -7.960 5.047 1.00 0.20 C ATOM 830 O GLU A 52 -4.354 -6.855 5.282 1.00 22.35 O ATOM 831 CB GLU A 52 -4.363 -9.921 6.518 1.00 52.12 C ATOM 832 CG GLU A 52 -2.945 -10.461 6.588 1.00 75.31 C ATOM 833 CD GLU A 52 -2.680 -11.245 7.858 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.553 -11.241 8.751 1.00 11.41 O ATOM 835 OE2 GLU A 52 -1.600 -11.862 7.959 1.00 52.33 O1- ATOM 0 H GLU A 52 -3.991 -11.012 4.333 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.749 -8.961 5.185 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.513 -9.212 7.332 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.063 -10.741 6.676 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.761 -11.102 5.725 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.241 -9.631 6.524 1.00 75.31 H new ATOM 842 N THR A 53 -2.603 -8.123 4.657 1.00 23.40 N ATOM 843 CA THR A 53 -1.705 -6.989 4.482 1.00 34.31 C ATOM 844 C THR A 53 -1.073 -6.997 3.094 1.00 54.44 C ATOM 845 O THR A 53 -0.078 -6.317 2.851 1.00 31.00 O ATOM 846 CB THR A 53 -0.587 -6.989 5.543 1.00 73.11 C ATOM 847 OG1 THR A 53 0.249 -5.838 5.373 1.00 13.41 O ATOM 848 CG2 THR A 53 0.253 -8.252 5.443 1.00 32.42 C ATOM 0 H THR A 53 -2.181 -9.030 4.457 1.00 23.40 H new ATOM 0 HA THR A 53 -2.307 -6.088 4.599 1.00 34.31 H new ATOM 0 HB THR A 53 -1.051 -6.958 6.529 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.538 -5.779 4.438 1.00 13.41 H new ATOM 0 HG21 THR A 53 1.035 -8.230 6.201 1.00 32.42 H new ATOM 0 HG22 THR A 53 -0.381 -9.124 5.602 1.00 32.42 H new ATOM 0 HG23 THR A 53 0.708 -8.309 4.454 1.00 32.42 H new ATOM 856 N GLY A 54 -1.660 -7.772 2.187 1.00 23.41 N ATOM 857 CA GLY A 54 -1.140 -7.854 0.834 1.00 44.31 C ATOM 858 C GLY A 54 0.337 -8.192 0.800 1.00 5.13 C ATOM 859 O GLY A 54 1.040 -7.836 -0.146 1.00 74.51 O ATOM 0 H GLY A 54 -2.486 -8.344 2.365 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.696 -8.611 0.280 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.304 -6.903 0.327 1.00 44.31 H new ATOM 863 N SER A 55 0.810 -8.878 1.835 1.00 33.40 N ATOM 864 CA SER A 55 2.214 -9.258 1.922 1.00 75.11 C ATOM 865 C SER A 55 2.422 -10.688 1.431 1.00 63.23 C ATOM 866 O SER A 55 1.460 -11.409 1.163 1.00 45.55 O ATOM 867 CB SER A 55 2.713 -9.125 3.362 1.00 55.25 C ATOM 868 OG SER A 55 4.124 -8.998 3.404 1.00 71.01 O ATOM 0 H SER A 55 0.241 -9.182 2.625 1.00 33.40 H new ATOM 0 HA SER A 55 2.786 -8.585 1.283 1.00 75.11 H new ATOM 0 HB2 SER A 55 2.253 -8.255 3.831 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.406 -9.998 3.938 1.00 55.25 H new ATOM 0 HG SER A 55 4.417 -8.913 4.335 1.00 71.01 H new ATOM 874 N ILE A 56 3.683 -11.091 1.316 1.00 3.53 N ATOM 875 CA ILE A 56 4.017 -12.434 0.858 1.00 74.13 C ATOM 876 C ILE A 56 5.331 -12.911 1.468 1.00 0.40 C ATOM 877 O ILE A 56 6.266 -12.130 1.642 1.00 42.33 O ATOM 878 CB ILE A 56 4.123 -12.496 -0.677 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.946 -13.935 -1.165 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.460 -11.935 -1.137 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.520 -14.276 -1.534 1.00 3.04 C ATOM 0 H ILE A 56 4.490 -10.507 1.534 1.00 3.53 H new ATOM 0 HA ILE A 56 3.209 -13.089 1.184 1.00 74.13 H new ATOM 0 HB ILE A 56 3.328 -11.887 -1.107 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.586 -14.097 -2.032 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.285 -14.618 -0.386 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.521 -11.985 -2.224 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.549 -10.897 -0.816 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.270 -12.520 -0.701 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.469 -15.311 -1.871 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.878 -14.146 -0.663 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.184 -13.617 -2.334 1.00 3.04 H new ATOM 893 N ARG A 57 5.394 -14.200 1.789 1.00 32.14 N ATOM 894 CA ARG A 57 6.594 -14.782 2.377 1.00 64.45 C ATOM 895 C ARG A 57 6.873 -16.162 1.790 1.00 32.01 C ATOM 896 O ARG A 57 5.993 -17.022 1.752 1.00 32.22 O ATOM 897 CB ARG A 57 6.444 -14.883 3.897 1.00 61.04 C ATOM 898 CG ARG A 57 6.463 -13.538 4.603 1.00 70.51 C ATOM 899 CD ARG A 57 7.840 -12.894 4.535 1.00 15.33 C ATOM 900 NE ARG A 57 7.983 -11.806 5.499 1.00 71.31 N ATOM 901 CZ ARG A 57 7.531 -10.575 5.291 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.908 -10.277 4.158 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 7.699 -9.639 6.216 1.00 34.43 N ATOM 0 H ARG A 57 4.628 -14.860 1.652 1.00 32.14 H new ATOM 0 HA ARG A 57 7.436 -14.130 2.143 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.508 -15.391 4.128 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.249 -15.502 4.292 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.727 -12.876 4.147 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.172 -13.668 5.645 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.603 -13.649 4.724 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.012 -12.512 3.529 1.00 15.33 H new ATOM 0 HE ARG A 57 8.456 -12.003 6.381 1.00 71.31 H new ATOM 0 HH11 ARG A 57 6.776 -10.994 3.445 1.00 34.40 H new ATOM 0 HH12 ARG A 57 6.561 -9.331 4.000 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.176 -9.864 7.089 1.00 34.43 H new ATOM 0 HH22 ARG A 57 7.351 -8.694 6.054 1.00 34.43 H new ATOM 917 N VAL A 58 8.104 -16.366 1.331 1.00 42.34 N ATOM 918 CA VAL A 58 8.500 -17.642 0.746 1.00 43.54 C ATOM 919 C VAL A 58 9.458 -18.394 1.663 1.00 10.15 C ATOM 920 O VAL A 58 10.542 -17.905 1.980 1.00 73.04 O ATOM 921 CB VAL A 58 9.169 -17.445 -0.627 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.315 -18.777 -1.346 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.374 -16.459 -1.470 1.00 4.35 C ATOM 0 H VAL A 58 8.844 -15.664 1.353 1.00 42.34 H new ATOM 0 HA VAL A 58 7.590 -18.228 0.618 1.00 43.54 H new ATOM 0 HB VAL A 58 10.166 -17.033 -0.470 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.790 -18.618 -2.314 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.930 -19.449 -0.747 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.330 -19.221 -1.493 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.861 -16.332 -2.437 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.364 -16.840 -1.620 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.327 -15.498 -0.958 1.00 4.35 H new ATOM 933 N PHE A 59 9.050 -19.586 2.086 1.00 1.31 N ATOM 934 CA PHE A 59 9.872 -20.406 2.968 1.00 44.44 C ATOM 935 C PHE A 59 10.194 -21.749 2.319 1.00 1.24 C ATOM 936 O PHE A 59 9.408 -22.274 1.531 1.00 3.23 O ATOM 937 CB PHE A 59 9.159 -20.630 4.302 1.00 43.13 C ATOM 938 CG PHE A 59 8.753 -19.357 4.988 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.684 -18.603 5.686 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.441 -18.912 4.933 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.314 -17.431 6.317 1.00 33.32 C ATOM 942 CE2 PHE A 59 7.066 -17.741 5.562 1.00 52.11 C ATOM 943 CZ PHE A 59 8.002 -16.999 6.256 1.00 33.22 C ATOM 0 H PHE A 59 8.155 -20.005 1.832 1.00 1.31 H new ATOM 0 HA PHE A 59 10.807 -19.876 3.148 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.272 -21.240 4.132 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.814 -21.197 4.964 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.710 -18.936 5.737 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.704 -19.487 4.392 1.00 45.01 H new ATOM 0 HE1 PHE A 59 10.049 -16.853 6.857 1.00 33.32 H new ATOM 0 HE2 PHE A 59 6.041 -17.405 5.511 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.710 -16.084 6.750 1.00 33.22 H new ATOM 953 N ALA A 60 11.357 -22.298 2.654 1.00 64.33 N ATOM 954 CA ALA A 60 11.783 -23.579 2.105 1.00 61.55 C ATOM 955 C ALA A 60 11.519 -24.714 3.090 1.00 45.11 C ATOM 956 O ALA A 60 11.981 -24.678 4.231 1.00 31.21 O ATOM 957 CB ALA A 60 13.257 -23.531 1.736 1.00 21.41 C ATOM 0 H ALA A 60 12.021 -21.875 3.303 1.00 64.33 H new ATOM 0 HA ALA A 60 11.200 -23.772 1.204 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.561 -24.495 1.327 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.420 -22.753 0.991 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.848 -23.311 2.625 1.00 21.41 H new ATOM 963 N ARG A 61 10.772 -25.717 2.642 1.00 41.23 N ATOM 964 CA ARG A 61 10.445 -26.862 3.486 1.00 72.14 C ATOM 965 C ARG A 61 11.555 -27.907 3.438 1.00 20.13 C ATOM 966 O ARG A 61 11.756 -28.570 2.420 1.00 1.01 O ATOM 967 CB ARG A 61 9.121 -27.487 3.043 1.00 64.24 C ATOM 968 CG ARG A 61 7.923 -27.015 3.851 1.00 32.03 C ATOM 969 CD ARG A 61 6.799 -28.037 3.829 1.00 70.43 C ATOM 970 NE ARG A 61 5.495 -27.422 4.070 1.00 4.21 N ATOM 971 CZ ARG A 61 5.120 -26.933 5.247 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.946 -26.985 6.284 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 3.919 -26.389 5.388 1.00 24.30 N ATOM 0 H ARG A 61 10.382 -25.761 1.701 1.00 41.23 H new ATOM 0 HA ARG A 61 10.347 -26.509 4.513 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.953 -27.255 1.991 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.197 -28.572 3.122 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.228 -26.830 4.881 1.00 32.03 H new ATOM 0 HG3 ARG A 61 7.563 -26.068 3.450 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.788 -28.543 2.864 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.986 -28.798 4.586 1.00 70.43 H new ATOM 0 HE ARG A 61 4.837 -27.365 3.292 1.00 4.21 H new ATOM 0 HH11 ARG A 61 6.871 -27.401 6.179 1.00 71.04 H new ATOM 0 HH12 ARG A 61 5.656 -26.609 7.187 1.00 71.04 H new ATOM 0 HH21 ARG A 61 3.282 -26.346 4.592 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.632 -26.014 6.292 1.00 24.30 H new ATOM 987 N LYS A 62 12.275 -28.049 4.545 1.00 10.33 N ATOM 988 CA LYS A 62 13.365 -29.015 4.631 1.00 21.43 C ATOM 989 C LYS A 62 13.007 -30.156 5.578 1.00 75.40 C ATOM 990 O LYS A 62 12.499 -29.928 6.676 1.00 2.42 O ATOM 991 CB LYS A 62 14.646 -28.327 5.106 1.00 43.22 C ATOM 992 CG LYS A 62 15.463 -27.718 3.980 1.00 41.54 C ATOM 993 CD LYS A 62 16.519 -26.762 4.510 1.00 43.23 C ATOM 994 CE LYS A 62 17.634 -26.545 3.498 1.00 43.44 C ATOM 995 NZ LYS A 62 17.408 -25.321 2.680 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.124 -27.507 5.396 1.00 10.33 H new ATOM 0 HA LYS A 62 13.530 -29.430 3.637 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.385 -27.545 5.819 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.261 -29.052 5.639 1.00 43.22 H new ATOM 0 HG2 LYS A 62 15.944 -28.512 3.408 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.801 -27.187 3.295 1.00 41.54 H new ATOM 0 HD2 LYS A 62 16.056 -25.806 4.753 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.938 -27.158 5.435 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.587 -26.463 4.020 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.704 -27.413 2.842 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 18.236 -25.151 2.074 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 16.565 -25.451 2.086 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 17.266 -24.505 3.309 1.00 24.24 H new ATOM 1009 N ASP A 63 13.276 -31.383 5.146 1.00 23.54 N ATOM 1010 CA ASP A 63 12.985 -32.560 5.956 1.00 42.41 C ATOM 1011 C ASP A 63 13.942 -32.655 7.141 1.00 73.33 C ATOM 1012 O ASP A 63 15.145 -32.848 6.966 1.00 62.32 O ATOM 1013 CB ASP A 63 13.080 -33.828 5.106 1.00 73.01 C ATOM 1014 CG ASP A 63 11.860 -34.715 5.252 1.00 64.14 C ATOM 1015 OD1 ASP A 63 10.730 -34.193 5.157 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 12.036 -35.934 5.462 1.00 40.11 O ATOM 0 H ASP A 63 13.695 -31.588 4.239 1.00 23.54 H new ATOM 0 HA ASP A 63 11.969 -32.464 6.339 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.201 -33.552 4.059 1.00 73.01 H new ATOM 0 HB3 ASP A 63 13.970 -34.389 5.393 1.00 73.01 H new ATOM 1021 N VAL A 64 13.400 -32.516 8.346 1.00 22.25 N ATOM 1022 CA VAL A 64 14.204 -32.587 9.559 1.00 63.30 C ATOM 1023 C VAL A 64 14.625 -34.021 9.858 1.00 51.12 C ATOM 1024 O VAL A 64 13.789 -34.875 10.154 1.00 75.14 O ATOM 1025 CB VAL A 64 13.441 -32.023 10.773 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.323 -32.038 12.013 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.941 -30.616 10.481 1.00 14.04 C ATOM 0 H VAL A 64 12.406 -32.353 8.508 1.00 22.25 H new ATOM 0 HA VAL A 64 15.093 -31.980 9.384 1.00 63.30 H new ATOM 0 HB VAL A 64 12.577 -32.659 10.964 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.767 -31.636 12.860 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.627 -33.062 12.231 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.208 -31.427 11.837 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.404 -30.233 11.349 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.789 -29.967 10.263 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.271 -30.639 9.621 1.00 14.04 H new ATOM 1037 N VAL A 65 15.926 -34.280 9.779 1.00 11.54 N ATOM 1038 CA VAL A 65 16.458 -35.611 10.043 1.00 13.21 C ATOM 1039 C VAL A 65 17.826 -35.533 10.713 1.00 31.21 C ATOM 1040 O VAL A 65 18.601 -34.611 10.462 1.00 25.11 O ATOM 1041 CB VAL A 65 16.581 -36.434 8.746 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.205 -36.776 8.198 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.403 -35.678 7.712 1.00 31.51 C ATOM 0 H VAL A 65 16.631 -33.585 9.534 1.00 11.54 H new ATOM 0 HA VAL A 65 15.755 -36.105 10.714 1.00 13.21 H new ATOM 0 HB VAL A 65 17.096 -37.367 8.975 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.312 -37.357 7.282 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.654 -37.360 8.936 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.660 -35.857 7.983 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.480 -36.273 6.802 1.00 31.51 H new ATOM 0 HG22 VAL A 65 16.918 -34.729 7.485 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.401 -35.489 8.108 1.00 31.51 H new ATOM 1053 N ASP A 66 18.114 -36.507 11.569 1.00 62.52 N ATOM 1054 CA ASP A 66 19.389 -36.551 12.277 1.00 23.33 C ATOM 1055 C ASP A 66 20.556 -36.458 11.299 1.00 21.04 C ATOM 1056 O ASP A 66 21.571 -35.826 11.589 1.00 0.24 O ATOM 1057 CB ASP A 66 19.497 -37.836 13.098 1.00 11.32 C ATOM 1058 CG ASP A 66 20.522 -37.730 14.210 1.00 10.50 C ATOM 1059 OD1 ASP A 66 20.859 -36.591 14.598 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 20.987 -38.783 14.691 1.00 32.13 O ATOM 0 H ASP A 66 17.482 -37.277 11.790 1.00 62.52 H new ATOM 0 HA ASP A 66 19.433 -35.695 12.950 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.523 -38.072 13.527 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.764 -38.663 12.440 1.00 11.32 H new ATOM 1065 N GLU A 67 20.404 -37.093 10.141 1.00 15.03 N ATOM 1066 CA GLU A 67 21.447 -37.083 9.122 1.00 31.11 C ATOM 1067 C GLU A 67 20.859 -36.786 7.746 1.00 50.23 C ATOM 1068 O GLU A 67 19.802 -37.302 7.384 1.00 63.43 O ATOM 1069 CB GLU A 67 22.180 -38.425 9.097 1.00 55.42 C ATOM 1070 CG GLU A 67 22.656 -38.884 10.465 1.00 72.25 C ATOM 1071 CD GLU A 67 23.615 -40.057 10.387 1.00 31.21 C ATOM 1072 OE1 GLU A 67 23.626 -40.746 9.346 1.00 71.05 O ATOM 1073 OE2 GLU A 67 24.355 -40.284 11.366 1.00 25.33 O1- ATOM 0 H GLU A 67 19.569 -37.620 9.885 1.00 15.03 H new ATOM 0 HA GLU A 67 22.157 -36.295 9.373 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.518 -39.183 8.679 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.039 -38.348 8.430 1.00 55.42 H new ATOM 0 HG2 GLU A 67 23.145 -38.053 10.973 1.00 72.25 H new ATOM 0 HG3 GLU A 67 21.794 -39.164 11.070 1.00 72.25 H new ATOM 1080 N VAL A 68 21.553 -35.950 6.980 1.00 15.43 N ATOM 1081 CA VAL A 68 21.102 -35.583 5.643 1.00 65.11 C ATOM 1082 C VAL A 68 20.896 -36.820 4.775 1.00 4.00 C ATOM 1083 O VAL A 68 21.842 -37.552 4.485 1.00 42.11 O ATOM 1084 CB VAL A 68 22.107 -34.644 4.949 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.656 -34.334 3.530 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.283 -33.365 5.754 1.00 63.52 C ATOM 0 H VAL A 68 22.431 -35.514 7.263 1.00 15.43 H new ATOM 0 HA VAL A 68 20.152 -35.062 5.761 1.00 65.11 H new ATOM 0 HB VAL A 68 23.072 -35.148 4.895 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.378 -33.670 3.056 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.586 -35.260 2.960 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.680 -33.850 3.556 1.00 71.34 H new ATOM 0 HG21 VAL A 68 22.996 -32.713 5.250 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.324 -32.855 5.841 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.655 -33.610 6.749 1.00 63.52 H new ATOM 1096 N TYR A 69 19.654 -37.046 4.363 1.00 32.10 N ATOM 1097 CA TYR A 69 19.322 -38.195 3.529 1.00 32.14 C ATOM 1098 C TYR A 69 18.978 -37.757 2.108 1.00 61.22 C ATOM 1099 O TYR A 69 19.170 -38.507 1.152 1.00 10.20 O ATOM 1100 CB TYR A 69 18.149 -38.969 4.134 1.00 62.24 C ATOM 1101 CG TYR A 69 18.571 -40.041 5.112 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.164 -41.218 4.672 1.00 73.44 C ATOM 1103 CD2 TYR A 69 18.378 -39.876 6.478 1.00 23.33 C ATOM 1104 CE1 TYR A 69 19.551 -42.200 5.563 1.00 1.01 C ATOM 1105 CE2 TYR A 69 18.764 -40.853 7.377 1.00 60.10 C ATOM 1106 CZ TYR A 69 19.349 -42.013 6.914 1.00 34.24 C ATOM 1107 OH TYR A 69 19.734 -42.989 7.805 1.00 60.13 O ATOM 0 H TYR A 69 18.860 -36.449 4.593 1.00 32.10 H new ATOM 0 HA TYR A 69 20.196 -38.846 3.487 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.485 -38.268 4.640 1.00 62.24 H new ATOM 0 HB3 TYR A 69 17.574 -39.429 3.330 1.00 62.24 H new ATOM 0 HD1 TYR A 69 19.325 -41.368 3.615 1.00 73.44 H new ATOM 0 HD2 TYR A 69 17.919 -38.969 6.844 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.009 -43.109 5.203 1.00 1.01 H new ATOM 0 HE2 TYR A 69 18.608 -40.709 8.436 1.00 60.10 H new ATOM 0 HH TYR A 69 19.523 -42.701 8.717 1.00 60.13 H new ATOM 1117 N ASP A 70 18.471 -36.536 1.980 1.00 20.02 N ATOM 1118 CA ASP A 70 18.101 -35.995 0.678 1.00 33.31 C ATOM 1119 C ASP A 70 19.001 -34.821 0.301 1.00 24.14 C ATOM 1120 O ASP A 70 18.947 -33.762 0.924 1.00 24.10 O ATOM 1121 CB ASP A 70 16.638 -35.550 0.683 1.00 13.03 C ATOM 1122 CG ASP A 70 15.711 -36.607 0.117 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.122 -37.315 -0.825 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.571 -36.725 0.615 1.00 62.25 O1- ATOM 0 H ASP A 70 18.307 -35.902 2.762 1.00 20.02 H new ATOM 0 HA ASP A 70 18.231 -36.782 -0.064 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.336 -35.315 1.704 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.538 -34.634 0.101 1.00 13.03 H new ATOM 1129 N GLN A 71 19.829 -35.020 -0.720 1.00 45.13 N ATOM 1130 CA GLN A 71 20.741 -33.979 -1.177 1.00 73.34 C ATOM 1131 C GLN A 71 19.978 -32.842 -1.849 1.00 44.25 C ATOM 1132 O GLN A 71 20.515 -31.752 -2.047 1.00 55.10 O ATOM 1133 CB GLN A 71 21.769 -34.562 -2.148 1.00 71.25 C ATOM 1134 CG GLN A 71 22.984 -33.673 -2.354 1.00 52.44 C ATOM 1135 CD GLN A 71 23.929 -33.689 -1.168 1.00 44.52 C ATOM 1136 OE1 GLN A 71 23.840 -32.844 -0.277 1.00 34.54 O ATOM 1137 NE2 GLN A 71 24.841 -34.655 -1.151 1.00 51.40 N ATOM 0 H GLN A 71 19.887 -35.892 -1.246 1.00 45.13 H new ATOM 0 HA GLN A 71 21.260 -33.579 -0.306 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.098 -35.532 -1.776 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.289 -34.736 -3.111 1.00 71.25 H new ATOM 0 HG2 GLN A 71 23.520 -33.999 -3.245 1.00 52.44 H new ATOM 0 HG3 GLN A 71 22.654 -32.650 -2.537 1.00 52.44 H new ATOM 0 HE21 GLN A 71 24.878 -35.334 -1.911 1.00 51.40 H new ATOM 0 HE22 GLN A 71 25.504 -34.717 -0.378 1.00 51.40 H new ATOM 1146 N ARG A 72 18.723 -33.105 -2.198 1.00 4.45 N ATOM 1147 CA ARG A 72 17.886 -32.104 -2.850 1.00 31.14 C ATOM 1148 C ARG A 72 17.337 -31.108 -1.832 1.00 3.13 C ATOM 1149 O ARG A 72 17.241 -29.912 -2.108 1.00 25.45 O ATOM 1150 CB ARG A 72 16.732 -32.779 -3.593 1.00 14.31 C ATOM 1151 CG ARG A 72 15.716 -33.436 -2.673 1.00 43.23 C ATOM 1152 CD ARG A 72 14.612 -34.123 -3.462 1.00 44.31 C ATOM 1153 NE ARG A 72 13.974 -33.216 -4.412 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.362 -33.082 -5.676 1.00 1.35 C ATOM 1155 NH1 ARG A 72 15.381 -33.794 -6.137 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 13.730 -32.237 -6.479 1.00 72.31 N ATOM 0 H ARG A 72 18.263 -34.002 -2.041 1.00 4.45 H new ATOM 0 HA ARG A 72 18.503 -31.562 -3.567 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.225 -32.037 -4.209 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.137 -33.532 -4.269 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.218 -34.165 -2.037 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.280 -32.685 -2.014 1.00 43.23 H new ATOM 0 HD2 ARG A 72 15.027 -34.977 -3.998 1.00 44.31 H new ATOM 0 HD3 ARG A 72 13.862 -34.513 -2.773 1.00 44.31 H new ATOM 0 HE ARG A 72 13.187 -32.654 -4.088 1.00 31.03 H new ATOM 0 HH11 ARG A 72 15.868 -34.445 -5.521 1.00 20.14 H new ATOM 0 HH12 ARG A 72 15.678 -33.690 -7.107 1.00 20.14 H new ATOM 0 HH21 ARG A 72 12.945 -31.689 -6.127 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.029 -32.135 -7.449 1.00 72.31 H new ATOM 1170 N LEU A 73 16.976 -31.611 -0.657 1.00 3.20 N ATOM 1171 CA LEU A 73 16.435 -30.766 0.403 1.00 51.45 C ATOM 1172 C LEU A 73 16.384 -31.520 1.727 1.00 42.22 C ATOM 1173 O LEU A 73 15.725 -32.554 1.839 1.00 32.31 O ATOM 1174 CB LEU A 73 15.036 -30.276 0.027 1.00 24.54 C ATOM 1175 CG LEU A 73 13.948 -31.347 -0.050 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.083 -31.320 1.202 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.094 -31.153 -1.294 1.00 14.14 C ATOM 0 H LEU A 73 17.048 -32.599 -0.414 1.00 3.20 H new ATOM 0 HA LEU A 73 17.094 -29.906 0.521 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.728 -29.525 0.755 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.095 -29.777 -0.940 1.00 24.54 H new ATOM 0 HG LEU A 73 14.430 -32.323 -0.114 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.314 -32.089 1.130 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.704 -31.509 2.078 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.611 -30.342 1.297 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.325 -31.925 -1.331 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.622 -30.171 -1.261 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.723 -31.224 -2.182 1.00 14.14 H new ATOM 1189 N GLU A 74 17.082 -30.994 2.729 1.00 52.14 N ATOM 1190 CA GLU A 74 17.114 -31.618 4.047 1.00 53.33 C ATOM 1191 C GLU A 74 17.638 -30.643 5.097 1.00 31.14 C ATOM 1192 O GLU A 74 18.216 -29.608 4.765 1.00 54.40 O ATOM 1193 CB GLU A 74 17.987 -32.874 4.020 1.00 34.50 C ATOM 1194 CG GLU A 74 17.461 -33.999 4.894 1.00 5.55 C ATOM 1195 CD GLU A 74 16.508 -34.918 4.153 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.494 -34.417 3.624 1.00 53.23 O ATOM 1197 OE2 GLU A 74 16.778 -36.137 4.102 1.00 54.12 O1- ATOM 0 H GLU A 74 17.632 -30.138 2.653 1.00 52.14 H new ATOM 0 HA GLU A 74 16.095 -31.899 4.313 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.066 -33.230 2.993 1.00 34.50 H new ATOM 0 HB3 GLU A 74 18.994 -32.613 4.345 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.300 -34.582 5.273 1.00 5.55 H new ATOM 0 HG3 GLU A 74 16.951 -33.574 5.759 1.00 5.55 H new ATOM 1204 N ILE A 75 17.431 -30.981 6.366 1.00 62.14 N ATOM 1205 CA ILE A 75 17.883 -30.137 7.464 1.00 30.31 C ATOM 1206 C ILE A 75 18.194 -30.968 8.704 1.00 75.04 C ATOM 1207 O ILE A 75 17.361 -31.748 9.166 1.00 14.04 O ATOM 1208 CB ILE A 75 16.831 -29.072 7.825 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.303 -28.243 9.021 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.493 -29.729 8.124 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.179 -26.750 8.808 1.00 31.35 C ATOM 0 H ILE A 75 16.953 -31.833 6.658 1.00 62.14 H new ATOM 0 HA ILE A 75 18.792 -29.639 7.126 1.00 30.31 H new ATOM 0 HB ILE A 75 16.703 -28.405 6.972 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.724 -28.526 9.900 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.344 -28.486 9.233 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.760 -28.963 8.377 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.154 -30.280 7.247 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.604 -30.416 8.963 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.532 -26.225 9.696 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.781 -26.454 7.949 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.135 -26.494 8.626 1.00 31.35 H new ATOM 1223 N SER A 76 19.398 -30.795 9.240 1.00 72.03 N ATOM 1224 CA SER A 76 19.820 -31.530 10.427 1.00 2.32 C ATOM 1225 C SER A 76 18.976 -31.141 11.637 1.00 11.44 C ATOM 1226 O SER A 76 18.661 -29.967 11.834 1.00 13.53 O ATOM 1227 CB SER A 76 21.300 -31.268 10.716 1.00 63.42 C ATOM 1228 OG SER A 76 22.019 -32.483 10.834 1.00 63.00 O ATOM 0 H SER A 76 20.099 -30.152 8.871 1.00 72.03 H new ATOM 0 HA SER A 76 19.678 -32.593 10.235 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.729 -30.664 9.916 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.398 -30.693 11.637 1.00 63.42 H new ATOM 0 HG SER A 76 22.962 -32.289 11.017 1.00 63.00 H new ATOM 1234 N ILE A 77 18.616 -32.133 12.443 1.00 32.21 N ATOM 1235 CA ILE A 77 17.810 -31.894 13.634 1.00 42.24 C ATOM 1236 C ILE A 77 18.413 -30.787 14.493 1.00 3.30 C ATOM 1237 O ILE A 77 17.693 -29.973 15.069 1.00 62.34 O ATOM 1238 CB ILE A 77 17.671 -33.170 14.485 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.844 -32.885 15.740 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.044 -33.709 14.861 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.432 -32.430 15.442 1.00 2.10 C ATOM 0 H ILE A 77 18.869 -33.110 12.294 1.00 32.21 H new ATOM 0 HA ILE A 77 16.822 -31.587 13.290 1.00 42.24 H new ATOM 0 HB ILE A 77 17.154 -33.927 13.895 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.805 -33.786 16.352 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.347 -32.119 16.331 1.00 61.14 H new ATOM 0 HG21 ILE A 77 18.929 -34.611 15.462 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.602 -33.946 13.955 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.585 -32.957 15.435 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.904 -32.246 16.378 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.462 -31.512 14.856 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.912 -33.204 14.878 1.00 2.10 H new ATOM 1253 N GLU A 78 19.740 -30.763 14.573 1.00 30.11 N ATOM 1254 CA GLU A 78 20.440 -29.756 15.361 1.00 0.34 C ATOM 1255 C GLU A 78 20.372 -28.391 14.682 1.00 42.21 C ATOM 1256 O GLU A 78 20.352 -27.356 15.346 1.00 45.21 O ATOM 1257 CB GLU A 78 21.900 -30.162 15.568 1.00 12.10 C ATOM 1258 CG GLU A 78 22.750 -30.043 14.315 1.00 52.02 C ATOM 1259 CD GLU A 78 23.844 -31.091 14.248 1.00 3.31 C ATOM 1260 OE1 GLU A 78 23.572 -32.254 14.615 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 24.970 -30.749 13.831 1.00 44.14 O ATOM 0 H GLU A 78 20.351 -31.430 14.102 1.00 30.11 H new ATOM 0 HA GLU A 78 19.949 -29.685 16.332 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.333 -29.540 16.351 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.935 -31.192 15.924 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.110 -30.135 13.437 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.200 -29.051 14.279 1.00 52.02 H new ATOM 1268 N GLU A 79 20.338 -28.399 13.353 1.00 34.12 N ATOM 1269 CA GLU A 79 20.275 -27.161 12.583 1.00 41.22 C ATOM 1270 C GLU A 79 18.967 -26.422 12.850 1.00 73.11 C ATOM 1271 O GLU A 79 18.967 -25.232 13.162 1.00 3.25 O ATOM 1272 CB GLU A 79 20.410 -27.457 11.087 1.00 40.51 C ATOM 1273 CG GLU A 79 20.436 -26.209 10.221 1.00 71.40 C ATOM 1274 CD GLU A 79 21.666 -25.355 10.463 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.710 -25.631 9.834 1.00 25.22 O ATOM 1276 OE2 GLU A 79 21.585 -24.415 11.279 1.00 73.13 O1- ATOM 0 H GLU A 79 20.353 -29.248 12.787 1.00 34.12 H new ATOM 0 HA GLU A 79 21.103 -26.525 12.896 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.325 -28.025 10.919 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.579 -28.090 10.774 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.401 -26.499 9.171 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.543 -25.616 10.418 1.00 71.40 H new ATOM 1283 N ALA A 80 17.853 -27.137 12.724 1.00 23.40 N ATOM 1284 CA ALA A 80 16.539 -26.549 12.952 1.00 41.12 C ATOM 1285 C ALA A 80 16.432 -25.975 14.361 1.00 13.05 C ATOM 1286 O ALA A 80 15.702 -25.011 14.592 1.00 13.31 O ATOM 1287 CB ALA A 80 15.450 -27.587 12.719 1.00 63.34 C ATOM 0 H ALA A 80 17.835 -28.124 12.465 1.00 23.40 H new ATOM 0 HA ALA A 80 16.405 -25.732 12.244 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.473 -27.135 12.893 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.505 -27.948 11.692 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.590 -28.422 13.405 1.00 63.34 H new ATOM 1293 N GLN A 81 17.163 -26.572 15.296 1.00 53.33 N ATOM 1294 CA GLN A 81 17.147 -26.119 16.682 1.00 55.10 C ATOM 1295 C GLN A 81 17.786 -24.740 16.810 1.00 65.05 C ATOM 1296 O GLN A 81 17.471 -23.982 17.727 1.00 13.14 O ATOM 1297 CB GLN A 81 17.882 -27.119 17.576 1.00 55.14 C ATOM 1298 CG GLN A 81 17.286 -28.517 17.542 1.00 15.04 C ATOM 1299 CD GLN A 81 16.495 -28.845 18.794 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.836 -28.403 19.891 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.432 -29.623 18.635 1.00 12.11 N ATOM 0 H GLN A 81 17.773 -27.370 15.120 1.00 53.33 H new ATOM 0 HA GLN A 81 16.108 -26.050 17.004 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.926 -27.170 17.268 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.871 -26.753 18.603 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.636 -28.610 16.672 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.087 -29.246 17.421 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.186 -29.967 17.707 1.00 12.11 H new ATOM 0 HE22 GLN A 81 14.861 -29.877 19.441 1.00 12.11 H new ATOM 1310 N GLY A 82 18.686 -24.420 15.884 1.00 10.33 N ATOM 1311 CA GLY A 82 19.354 -23.133 15.913 1.00 0.41 C ATOM 1312 C GLY A 82 18.380 -21.972 15.888 1.00 3.45 C ATOM 1313 O GLY A 82 18.640 -20.922 16.475 1.00 20.11 O ATOM 0 H GLY A 82 18.964 -25.030 15.115 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.970 -23.067 16.810 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.027 -23.057 15.059 1.00 0.41 H new ATOM 1317 N ILE A 83 17.255 -22.161 15.206 1.00 31.40 N ATOM 1318 CA ILE A 83 16.239 -21.121 15.106 1.00 1.12 C ATOM 1319 C ILE A 83 14.981 -21.506 15.878 1.00 73.35 C ATOM 1320 O ILE A 83 14.220 -20.643 16.317 1.00 13.12 O ATOM 1321 CB ILE A 83 15.862 -20.840 13.640 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.211 -22.074 13.013 1.00 4.34 C ATOM 1323 CG2 ILE A 83 17.092 -20.423 12.848 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.771 -21.863 11.580 1.00 2.43 C ATOM 0 H ILE A 83 17.025 -23.025 14.715 1.00 31.40 H new ATOM 0 HA ILE A 83 16.668 -20.218 15.541 1.00 1.12 H new ATOM 0 HB ILE A 83 15.143 -20.021 13.615 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.916 -22.905 13.050 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.347 -22.362 13.611 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.810 -20.228 11.813 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.517 -19.519 13.285 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.832 -21.223 12.877 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.318 -22.779 11.200 1.00 2.43 H new ATOM 0 HD12 ILE A 83 14.042 -21.054 11.539 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.635 -21.604 10.968 1.00 2.43 H new ATOM 1336 N HIS A 84 14.768 -22.808 16.040 1.00 63.03 N ATOM 1337 CA HIS A 84 13.603 -23.308 16.762 1.00 54.51 C ATOM 1338 C HIS A 84 13.848 -24.725 17.273 1.00 12.33 C ATOM 1339 O HIS A 84 13.723 -25.706 16.538 1.00 53.42 O ATOM 1340 CB HIS A 84 12.370 -23.284 15.859 1.00 32.52 C ATOM 1341 CG HIS A 84 11.147 -22.737 16.530 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.813 -23.024 17.836 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.177 -21.914 16.068 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.690 -22.403 18.148 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.283 -21.722 17.092 1.00 13.00 N ATOM 0 H HIS A 84 15.386 -23.536 15.681 1.00 63.03 H new ATOM 0 HA HIS A 84 13.429 -22.657 17.619 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.589 -22.684 14.975 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.163 -24.297 15.514 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.117 -21.487 15.078 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.189 -22.445 19.104 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.442 -21.147 17.045 1.00 13.00 H new ATOM 1353 N PRO A 85 14.204 -24.837 18.560 1.00 51.33 N ATOM 1354 CA PRO A 85 14.474 -26.130 19.198 1.00 21.45 C ATOM 1355 C PRO A 85 13.210 -26.963 19.374 1.00 1.12 C ATOM 1356 O PRO A 85 13.277 -28.149 19.696 1.00 55.23 O ATOM 1357 CB PRO A 85 15.051 -25.739 20.561 1.00 54.51 C ATOM 1358 CG PRO A 85 14.496 -24.384 20.834 1.00 23.33 C ATOM 1359 CD PRO A 85 14.372 -23.710 19.495 1.00 35.21 C ATOM 0 HA PRO A 85 15.142 -26.749 18.599 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.758 -26.450 21.334 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.141 -25.723 20.540 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.527 -24.452 21.328 1.00 23.33 H new ATOM 0 HG3 PRO A 85 15.153 -23.819 21.496 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.519 -23.032 19.464 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.258 -23.120 19.258 1.00 35.21 H new ATOM 1367 N GLU A 86 12.057 -26.336 19.159 1.00 11.24 N ATOM 1368 CA GLU A 86 10.777 -27.023 19.295 1.00 2.30 C ATOM 1369 C GLU A 86 10.622 -28.100 18.225 1.00 54.33 C ATOM 1370 O GLU A 86 9.836 -29.035 18.380 1.00 72.01 O ATOM 1371 CB GLU A 86 9.624 -26.022 19.198 1.00 32.11 C ATOM 1372 CG GLU A 86 9.140 -25.785 17.778 1.00 10.02 C ATOM 1373 CD GLU A 86 7.986 -26.692 17.396 1.00 32.22 C ATOM 1374 OE1 GLU A 86 6.889 -26.529 17.969 1.00 32.50 O ATOM 1375 OE2 GLU A 86 8.181 -27.564 16.523 1.00 51.41 O1- ATOM 0 H GLU A 86 11.983 -25.355 18.890 1.00 11.24 H new ATOM 0 HA GLU A 86 10.752 -27.502 20.274 1.00 2.30 H new ATOM 0 HB2 GLU A 86 8.790 -26.382 19.801 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.942 -25.072 19.628 1.00 32.11 H new ATOM 0 HG2 GLU A 86 8.830 -24.745 17.672 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.966 -25.943 17.085 1.00 10.02 H new ATOM 1382 N TYR A 87 11.375 -27.961 17.141 1.00 13.33 N ATOM 1383 CA TYR A 87 11.319 -28.919 16.043 1.00 62.40 C ATOM 1384 C TYR A 87 11.639 -30.328 16.533 1.00 30.01 C ATOM 1385 O TYR A 87 11.970 -30.530 17.702 1.00 64.21 O ATOM 1386 CB TYR A 87 12.297 -28.518 14.937 1.00 41.24 C ATOM 1387 CG TYR A 87 11.816 -27.358 14.095 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.547 -27.363 13.529 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.630 -26.255 13.866 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.103 -26.306 12.759 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.195 -25.192 13.098 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.930 -25.223 12.546 1.00 73.33 C ATOM 1393 OH TYR A 87 10.492 -24.167 11.781 1.00 33.41 O ATOM 0 H TYR A 87 12.032 -27.194 16.998 1.00 13.33 H new ATOM 0 HA TYR A 87 10.305 -28.914 15.642 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.255 -28.257 15.387 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.473 -29.377 14.290 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.896 -28.209 13.694 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.620 -26.228 14.296 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.114 -26.327 12.326 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.840 -24.342 12.931 1.00 41.22 H new ATOM 0 HH TYR A 87 11.079 -23.395 11.922 1.00 33.41 H new ATOM 1403 N MET A 88 11.539 -31.298 15.631 1.00 30.33 N ATOM 1404 CA MET A 88 11.819 -32.689 15.971 1.00 15.53 C ATOM 1405 C MET A 88 11.999 -33.530 14.712 1.00 10.42 C ATOM 1406 O MET A 88 11.393 -33.253 13.676 1.00 24.25 O ATOM 1407 CB MET A 88 10.690 -33.265 16.826 1.00 14.22 C ATOM 1408 CG MET A 88 11.016 -34.621 17.431 1.00 4.24 C ATOM 1409 SD MET A 88 12.365 -34.543 18.625 1.00 21.05 S ATOM 1410 CE MET A 88 11.680 -33.412 19.834 1.00 34.51 C ATOM 0 H MET A 88 11.266 -31.148 14.660 1.00 30.33 H new ATOM 0 HA MET A 88 12.747 -32.718 16.542 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.460 -32.564 17.629 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.792 -33.356 16.214 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.127 -35.020 17.919 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.281 -35.316 16.634 1.00 4.24 H new ATOM 0 HE1 MET A 88 12.172 -33.565 20.795 1.00 34.51 H new ATOM 0 HE2 MET A 88 11.840 -32.386 19.504 1.00 34.51 H new ATOM 0 HE3 MET A 88 10.611 -33.597 19.940 1.00 34.51 H new ATOM 1420 N VAL A 89 12.835 -34.559 14.806 1.00 2.14 N ATOM 1421 CA VAL A 89 13.094 -35.441 13.675 1.00 32.25 C ATOM 1422 C VAL A 89 11.793 -35.953 13.069 1.00 31.51 C ATOM 1423 O VAL A 89 10.987 -36.588 13.747 1.00 22.02 O ATOM 1424 CB VAL A 89 13.963 -36.643 14.087 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.215 -37.555 12.897 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.276 -36.169 14.694 1.00 64.13 C ATOM 0 H VAL A 89 13.345 -34.802 15.655 1.00 2.14 H new ATOM 0 HA VAL A 89 13.631 -34.852 12.932 1.00 32.25 H new ATOM 0 HB VAL A 89 13.425 -37.214 14.843 1.00 43.25 H new ATOM 0 HG11 VAL A 89 14.831 -38.398 13.209 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.264 -37.923 12.513 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.731 -36.998 12.115 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.877 -37.032 14.979 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.821 -35.573 13.962 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.071 -35.562 15.576 1.00 64.13 H new ATOM 1436 N GLY A 90 11.594 -35.673 11.783 1.00 61.31 N ATOM 1437 CA GLY A 90 10.388 -36.112 11.107 1.00 5.34 C ATOM 1438 C GLY A 90 9.488 -34.957 10.718 1.00 73.20 C ATOM 1439 O GLY A 90 8.631 -35.096 9.844 1.00 73.05 O ATOM 0 H GLY A 90 12.247 -35.150 11.199 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.660 -36.673 10.213 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.839 -36.794 11.757 1.00 5.34 H new ATOM 1443 N ASP A 91 9.679 -33.815 11.367 1.00 14.12 N ATOM 1444 CA ASP A 91 8.877 -32.630 11.085 1.00 22.15 C ATOM 1445 C ASP A 91 9.449 -31.856 9.901 1.00 32.31 C ATOM 1446 O ASP A 91 10.343 -32.336 9.204 1.00 53.31 O ATOM 1447 CB ASP A 91 8.811 -31.726 12.316 1.00 12.13 C ATOM 1448 CG ASP A 91 7.392 -31.320 12.662 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.652 -30.912 11.742 1.00 3.14 O ATOM 1450 OD2 ASP A 91 7.021 -31.410 13.851 1.00 10.52 O1- ATOM 0 H ASP A 91 10.383 -33.684 12.093 1.00 14.12 H new ATOM 0 HA ASP A 91 7.869 -32.957 10.830 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.255 -32.243 13.167 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.408 -30.832 12.139 1.00 12.13 H new ATOM 1455 N VAL A 92 8.927 -30.653 9.678 1.00 31.51 N ATOM 1456 CA VAL A 92 9.385 -29.813 8.580 1.00 42.33 C ATOM 1457 C VAL A 92 9.636 -28.383 9.048 1.00 75.52 C ATOM 1458 O VAL A 92 8.838 -27.814 9.794 1.00 53.31 O ATOM 1459 CB VAL A 92 8.365 -29.791 7.425 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.401 -31.104 6.658 1.00 55.14 C ATOM 1461 CG2 VAL A 92 6.968 -29.511 7.956 1.00 61.45 C ATOM 0 H VAL A 92 8.186 -30.240 10.244 1.00 31.51 H new ATOM 0 HA VAL A 92 10.320 -30.245 8.222 1.00 42.33 H new ATOM 0 HB VAL A 92 8.635 -28.989 6.738 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.675 -31.071 5.846 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.399 -31.258 6.246 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.156 -31.925 7.331 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.260 -29.499 7.128 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.685 -30.290 8.664 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.957 -28.543 8.457 1.00 61.45 H new ATOM 1471 N VAL A 93 10.748 -27.806 8.605 1.00 53.22 N ATOM 1472 CA VAL A 93 11.103 -26.442 8.978 1.00 1.40 C ATOM 1473 C VAL A 93 11.004 -25.502 7.782 1.00 13.54 C ATOM 1474 O VAL A 93 11.341 -25.875 6.659 1.00 42.32 O ATOM 1475 CB VAL A 93 12.529 -26.371 9.556 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.533 -26.952 8.572 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.888 -24.937 9.913 1.00 1.50 C ATOM 0 H VAL A 93 11.419 -28.262 7.987 1.00 53.22 H new ATOM 0 HA VAL A 93 10.393 -26.128 9.743 1.00 1.40 H new ATOM 0 HB VAL A 93 12.563 -26.967 10.468 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.535 -26.893 8.997 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.284 -27.994 8.371 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.500 -26.385 7.641 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.899 -24.905 10.320 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.837 -24.316 9.019 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.186 -24.560 10.657 1.00 1.50 H new ATOM 1487 N GLU A 94 10.539 -24.282 8.032 1.00 63.33 N ATOM 1488 CA GLU A 94 10.395 -23.289 6.974 1.00 13.04 C ATOM 1489 C GLU A 94 11.304 -22.090 7.228 1.00 14.14 C ATOM 1490 O GLU A 94 11.112 -21.344 8.190 1.00 22.33 O ATOM 1491 CB GLU A 94 8.940 -22.828 6.872 1.00 72.23 C ATOM 1492 CG GLU A 94 8.152 -23.536 5.783 1.00 51.42 C ATOM 1493 CD GLU A 94 6.653 -23.428 5.985 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.122 -24.128 6.873 1.00 3.23 O ATOM 1495 OE2 GLU A 94 6.010 -22.646 5.254 1.00 11.44 O1- ATOM 0 H GLU A 94 10.256 -23.958 8.957 1.00 63.33 H new ATOM 0 HA GLU A 94 10.688 -23.753 6.032 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.448 -22.993 7.830 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.920 -21.755 6.684 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.416 -23.112 4.814 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.437 -24.588 5.759 1.00 51.42 H new ATOM 1502 N ILE A 95 12.292 -21.910 6.358 1.00 43.41 N ATOM 1503 CA ILE A 95 13.230 -20.801 6.487 1.00 24.11 C ATOM 1504 C ILE A 95 13.038 -19.786 5.367 1.00 51.42 C ATOM 1505 O ILE A 95 12.808 -20.153 4.216 1.00 43.44 O ATOM 1506 CB ILE A 95 14.689 -21.294 6.473 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.865 -22.464 7.445 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.635 -20.157 6.829 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.635 -23.817 6.809 1.00 4.40 C ATOM 0 H ILE A 95 12.464 -22.517 5.557 1.00 43.41 H new ATOM 0 HA ILE A 95 13.025 -20.324 7.445 1.00 24.11 H new ATOM 0 HB ILE A 95 14.930 -21.641 5.468 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.873 -22.433 7.860 1.00 21.22 H new ATOM 0 HG13 ILE A 95 14.173 -22.341 8.278 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.662 -20.521 6.815 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.525 -19.352 6.103 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.396 -19.783 7.825 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.777 -24.599 7.555 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.618 -23.868 6.419 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.344 -23.961 5.994 1.00 4.40 H new ATOM 1521 N GLU A 96 13.135 -18.505 5.712 1.00 15.41 N ATOM 1522 CA GLU A 96 12.973 -17.437 4.734 1.00 4.20 C ATOM 1523 C GLU A 96 13.895 -17.649 3.537 1.00 3.25 C ATOM 1524 O GLU A 96 15.117 -17.691 3.681 1.00 21.32 O ATOM 1525 CB GLU A 96 13.260 -16.078 5.378 1.00 33.11 C ATOM 1526 CG GLU A 96 12.406 -15.792 6.602 1.00 44.11 C ATOM 1527 CD GLU A 96 13.063 -14.814 7.556 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.273 -14.971 7.824 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 12.369 -13.893 8.035 1.00 64.34 O ATOM 0 H GLU A 96 13.325 -18.183 6.661 1.00 15.41 H new ATOM 0 HA GLU A 96 11.941 -17.455 4.383 1.00 4.20 H new ATOM 0 HB2 GLU A 96 14.312 -16.034 5.661 1.00 33.11 H new ATOM 0 HB3 GLU A 96 13.096 -15.293 4.639 1.00 33.11 H new ATOM 0 HG2 GLU A 96 11.443 -15.392 6.283 1.00 44.11 H new ATOM 0 HG3 GLU A 96 12.205 -16.726 7.127 1.00 44.11 H new ATOM 1536 N VAL A 97 13.301 -17.783 2.355 1.00 52.41 N ATOM 1537 CA VAL A 97 14.068 -17.991 1.133 1.00 41.24 C ATOM 1538 C VAL A 97 13.583 -17.072 0.018 1.00 64.02 C ATOM 1539 O VAL A 97 13.920 -17.265 -1.152 1.00 40.42 O ATOM 1540 CB VAL A 97 13.977 -19.452 0.655 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.609 -19.732 0.051 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.083 -19.756 -0.343 1.00 14.33 C ATOM 0 H VAL A 97 12.291 -17.751 2.218 1.00 52.41 H new ATOM 0 HA VAL A 97 15.107 -17.758 1.367 1.00 41.24 H new ATOM 0 HB VAL A 97 14.108 -20.107 1.517 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.563 -20.769 -0.281 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.837 -19.557 0.801 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.445 -19.071 -0.800 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.003 -20.793 -0.670 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.987 -19.095 -1.205 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.053 -19.598 0.129 1.00 14.33 H new ATOM 1552 N THR A 98 12.790 -16.071 0.386 1.00 74.11 N ATOM 1553 CA THR A 98 12.258 -15.121 -0.583 1.00 21.42 C ATOM 1554 C THR A 98 13.288 -14.053 -0.930 1.00 23.55 C ATOM 1555 O THR A 98 14.019 -13.560 -0.071 1.00 72.05 O ATOM 1556 CB THR A 98 10.982 -14.436 -0.057 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.367 -13.676 -1.103 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.303 -13.525 1.118 1.00 33.24 C ATOM 0 H THR A 98 12.502 -15.897 1.349 1.00 74.11 H new ATOM 0 HA THR A 98 12.013 -15.690 -1.480 1.00 21.42 H new ATOM 0 HB THR A 98 10.293 -15.210 0.281 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.556 -13.245 -0.761 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.387 -13.052 1.473 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.744 -14.112 1.924 1.00 33.24 H new ATOM 0 HG23 THR A 98 12.008 -12.757 0.801 1.00 33.24 H new ATOM 1566 N PRO A 99 13.349 -13.685 -2.218 1.00 61.42 N ATOM 1567 CA PRO A 99 14.287 -12.669 -2.707 1.00 22.35 C ATOM 1568 C PRO A 99 13.930 -11.269 -2.223 1.00 21.13 C ATOM 1569 O PRO A 99 12.788 -11.003 -1.848 1.00 4.33 O ATOM 1570 CB PRO A 99 14.147 -12.762 -4.229 1.00 33.45 C ATOM 1571 CG PRO A 99 12.779 -13.307 -4.451 1.00 23.31 C ATOM 1572 CD PRO A 99 12.509 -14.231 -3.297 1.00 75.43 C ATOM 0 HA PRO A 99 15.301 -12.843 -2.347 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.265 -11.785 -4.698 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.908 -13.415 -4.657 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.041 -12.506 -4.490 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.721 -13.840 -5.400 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.454 -14.233 -3.023 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.779 -15.260 -3.535 1.00 75.43 H new ATOM 1580 N LYS A 100 14.913 -10.375 -2.233 1.00 1.34 N ATOM 1581 CA LYS A 100 14.703 -9.001 -1.797 1.00 31.23 C ATOM 1582 C LYS A 100 13.941 -8.205 -2.852 1.00 11.53 C ATOM 1583 O LYS A 100 13.562 -7.056 -2.623 1.00 43.02 O ATOM 1584 CB LYS A 100 16.045 -8.325 -1.504 1.00 14.02 C ATOM 1585 CG LYS A 100 16.978 -8.284 -2.702 1.00 13.24 C ATOM 1586 CD LYS A 100 18.434 -8.365 -2.277 1.00 51.30 C ATOM 1587 CE LYS A 100 19.005 -6.989 -1.973 1.00 60.13 C ATOM 1588 NZ LYS A 100 19.554 -6.336 -3.194 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.864 -10.579 -2.539 1.00 1.34 H new ATOM 0 HA LYS A 100 14.108 -9.024 -0.884 1.00 31.23 H new ATOM 0 HB2 LYS A 100 15.862 -7.307 -1.161 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.538 -8.853 -0.688 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.747 -9.112 -3.373 1.00 13.24 H new ATOM 0 HG3 LYS A 100 16.812 -7.364 -3.262 1.00 13.24 H new ATOM 0 HD2 LYS A 100 18.521 -8.999 -1.395 1.00 51.30 H new ATOM 0 HD3 LYS A 100 19.019 -8.836 -3.067 1.00 51.30 H new ATOM 0 HE2 LYS A 100 18.226 -6.359 -1.543 1.00 60.13 H new ATOM 0 HE3 LYS A 100 19.792 -7.079 -1.224 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 19.934 -5.400 -2.946 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 20.314 -6.925 -3.590 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 18.797 -6.227 -3.899 1.00 62.04 H new ATOM 1602 N ASP A 101 13.719 -8.824 -4.006 1.00 23.32 N ATOM 1603 CA ASP A 101 13.000 -8.174 -5.096 1.00 41.13 C ATOM 1604 C ASP A 101 11.598 -8.758 -5.247 1.00 43.12 C ATOM 1605 O ASP A 101 10.874 -8.425 -6.185 1.00 15.43 O ATOM 1606 CB ASP A 101 13.772 -8.325 -6.407 1.00 64.01 C ATOM 1607 CG ASP A 101 13.357 -7.301 -7.445 1.00 62.02 C ATOM 1608 OD1 ASP A 101 12.595 -6.376 -7.095 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 13.795 -7.424 -8.608 1.00 12.30 O ATOM 0 H ASP A 101 14.026 -9.775 -4.211 1.00 23.32 H new ATOM 0 HA ASP A 101 12.909 -7.114 -4.857 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.839 -8.226 -6.210 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.613 -9.327 -6.806 1.00 64.01 H new ATOM 1614 N PHE A 102 11.224 -9.631 -4.317 1.00 61.52 N ATOM 1615 CA PHE A 102 9.910 -10.265 -4.349 1.00 41.25 C ATOM 1616 C PHE A 102 8.815 -9.260 -4.001 1.00 61.03 C ATOM 1617 O PHE A 102 7.648 -9.457 -4.337 1.00 73.03 O ATOM 1618 CB PHE A 102 9.865 -11.443 -3.373 1.00 42.23 C ATOM 1619 CG PHE A 102 9.227 -12.675 -3.951 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.670 -13.201 -5.154 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.186 -13.305 -3.290 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.085 -14.334 -5.687 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.597 -14.439 -3.819 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.047 -14.953 -5.019 1.00 15.23 C ATOM 0 H PHE A 102 11.811 -9.915 -3.533 1.00 61.52 H new ATOM 0 HA PHE A 102 9.735 -10.633 -5.360 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.881 -11.683 -3.058 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.316 -11.144 -2.480 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.481 -12.720 -5.681 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.830 -12.907 -2.351 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.439 -14.735 -6.625 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.786 -14.922 -3.294 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.588 -15.838 -5.434 1.00 15.23 H new ATOM 1634 N GLY A 103 9.201 -8.183 -3.324 1.00 33.20 N ATOM 1635 CA GLY A 103 8.241 -7.164 -2.941 1.00 14.33 C ATOM 1636 C GLY A 103 7.400 -6.691 -4.110 1.00 14.11 C ATOM 1637 O GLY A 103 6.172 -6.662 -4.029 1.00 52.21 O ATOM 0 H GLY A 103 10.161 -7.998 -3.034 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.587 -7.559 -2.163 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.770 -6.314 -2.511 1.00 14.33 H new ATOM 1641 N ARG A 104 8.063 -6.317 -5.200 1.00 11.41 N ATOM 1642 CA ARG A 104 7.368 -5.840 -6.390 1.00 21.11 C ATOM 1643 C ARG A 104 6.791 -7.006 -7.187 1.00 54.21 C ATOM 1644 O ARG A 104 5.698 -6.909 -7.744 1.00 35.02 O ATOM 1645 CB ARG A 104 8.319 -5.028 -7.270 1.00 50.22 C ATOM 1646 CG ARG A 104 8.933 -3.832 -6.562 1.00 72.45 C ATOM 1647 CD ARG A 104 7.947 -2.677 -6.464 1.00 22.14 C ATOM 1648 NE ARG A 104 7.130 -2.757 -5.256 1.00 50.51 N ATOM 1649 CZ ARG A 104 6.155 -1.900 -4.971 1.00 32.33 C ATOM 1650 NH1 ARG A 104 5.878 -0.905 -5.803 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 5.455 -2.038 -3.852 1.00 63.54 N ATOM 0 H ARG A 104 9.079 -6.335 -5.284 1.00 11.41 H new ATOM 0 HA ARG A 104 6.546 -5.201 -6.068 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.118 -5.679 -7.624 1.00 50.22 H new ATOM 0 HB3 ARG A 104 7.778 -4.680 -8.150 1.00 50.22 H new ATOM 0 HG2 ARG A 104 9.253 -4.125 -5.562 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.824 -3.507 -7.100 1.00 72.45 H new ATOM 0 HD2 ARG A 104 8.492 -1.733 -6.471 1.00 22.14 H new ATOM 0 HD3 ARG A 104 7.299 -2.678 -7.341 1.00 22.14 H new ATOM 0 HE ARG A 104 7.318 -3.511 -4.596 1.00 50.51 H new ATOM 0 HH11 ARG A 104 6.414 -0.796 -6.664 1.00 65.42 H new ATOM 0 HH12 ARG A 104 5.129 -0.249 -5.582 1.00 65.42 H new ATOM 0 HH21 ARG A 104 5.665 -2.802 -3.210 1.00 63.54 H new ATOM 0 HH22 ARG A 104 4.707 -1.380 -3.634 1.00 63.54 H new ATOM 1665 N ILE A 105 7.534 -8.108 -7.237 1.00 74.15 N ATOM 1666 CA ILE A 105 7.096 -9.291 -7.965 1.00 51.42 C ATOM 1667 C ILE A 105 5.766 -9.808 -7.426 1.00 31.22 C ATOM 1668 O ILE A 105 4.945 -10.338 -8.175 1.00 32.23 O ATOM 1669 CB ILE A 105 8.142 -10.420 -7.887 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.475 -9.950 -8.472 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.642 -11.657 -8.618 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.637 -10.858 -8.134 1.00 51.01 C ATOM 0 H ILE A 105 8.442 -8.205 -6.782 1.00 74.15 H new ATOM 0 HA ILE A 105 6.972 -8.992 -9.006 1.00 51.42 H new ATOM 0 HB ILE A 105 8.298 -10.680 -6.840 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.382 -9.880 -9.556 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.690 -8.946 -8.105 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.392 -12.445 -8.554 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.714 -12.000 -8.160 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.461 -11.413 -9.665 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.549 -10.463 -8.581 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.756 -10.909 -7.052 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.444 -11.857 -8.525 1.00 51.01 H new ATOM 1684 N ALA A 106 5.559 -9.647 -6.123 1.00 52.13 N ATOM 1685 CA ALA A 106 4.328 -10.093 -5.485 1.00 0.32 C ATOM 1686 C ALA A 106 3.103 -9.519 -6.191 1.00 11.13 C ATOM 1687 O ALA A 106 2.181 -10.251 -6.547 1.00 42.22 O ATOM 1688 CB ALA A 106 4.324 -9.702 -4.014 1.00 60.32 C ATOM 0 H ALA A 106 6.229 -9.211 -5.489 1.00 52.13 H new ATOM 0 HA ALA A 106 4.282 -11.179 -5.561 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.398 -10.042 -3.550 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.173 -10.166 -3.512 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.398 -8.618 -3.925 1.00 60.32 H new ATOM 1694 N ALA A 107 3.103 -8.204 -6.388 1.00 54.24 N ATOM 1695 CA ALA A 107 1.993 -7.533 -7.052 1.00 40.42 C ATOM 1696 C ALA A 107 1.920 -7.918 -8.526 1.00 61.51 C ATOM 1697 O ALA A 107 0.835 -8.047 -9.090 1.00 62.23 O ATOM 1698 CB ALA A 107 2.126 -6.024 -6.906 1.00 41.43 C ATOM 0 H ALA A 107 3.859 -7.584 -6.097 1.00 54.24 H new ATOM 0 HA ALA A 107 1.068 -7.855 -6.573 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.290 -5.535 -7.407 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.121 -5.759 -5.849 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.062 -5.696 -7.358 1.00 41.43 H new ATOM 1704 N GLN A 108 3.083 -8.101 -9.143 1.00 63.24 N ATOM 1705 CA GLN A 108 3.150 -8.472 -10.552 1.00 24.31 C ATOM 1706 C GLN A 108 2.598 -9.876 -10.773 1.00 33.31 C ATOM 1707 O GLN A 108 2.051 -10.181 -11.833 1.00 5.33 O ATOM 1708 CB GLN A 108 4.593 -8.394 -11.054 1.00 74.24 C ATOM 1709 CG GLN A 108 4.776 -8.928 -12.466 1.00 10.13 C ATOM 1710 CD GLN A 108 6.223 -8.898 -12.918 1.00 34.33 C ATOM 1711 OE1 GLN A 108 6.925 -7.905 -12.725 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.676 -9.989 -13.523 1.00 30.20 N ATOM 0 H GLN A 108 3.991 -7.999 -8.690 1.00 63.24 H new ATOM 0 HA GLN A 108 2.538 -7.768 -11.116 1.00 24.31 H new ATOM 0 HB2 GLN A 108 4.925 -7.356 -11.021 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.236 -8.956 -10.376 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.405 -9.952 -12.514 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.172 -8.338 -13.155 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.058 -10.789 -13.662 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.642 -10.028 -13.849 1.00 30.20 H new ATOM 1721 N THR A 109 2.744 -10.730 -9.764 1.00 14.35 N ATOM 1722 CA THR A 109 2.262 -12.102 -9.848 1.00 1.22 C ATOM 1723 C THR A 109 0.787 -12.190 -9.473 1.00 5.53 C ATOM 1724 O THR A 109 0.029 -12.953 -10.072 1.00 22.25 O ATOM 1725 CB THR A 109 3.071 -13.039 -8.931 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.467 -12.737 -9.031 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.834 -14.495 -9.302 1.00 43.12 C ATOM 0 H THR A 109 3.193 -10.494 -8.879 1.00 14.35 H new ATOM 0 HA THR A 109 2.390 -12.420 -10.883 1.00 1.22 H new ATOM 0 HB THR A 109 2.739 -12.883 -7.905 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.669 -11.941 -8.496 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.415 -15.138 -8.641 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.775 -14.729 -9.197 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.142 -14.662 -10.334 1.00 43.12 H new ATOM 1735 N ALA A 110 0.386 -11.406 -8.478 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.999 -11.394 -8.024 1.00 65.20 C ATOM 1737 C ALA A 110 -1.895 -10.658 -9.016 1.00 34.15 C ATOM 1738 O ALA A 110 -3.059 -11.014 -9.199 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.098 -10.755 -6.647 1.00 42.13 C ATOM 0 H ALA A 110 1.001 -10.770 -7.970 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.343 -12.426 -7.959 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.138 -10.753 -6.321 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.496 -11.324 -5.938 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.731 -9.730 -6.694 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.344 -9.630 -9.653 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.092 -8.843 -10.626 1.00 13.33 C ATOM 1747 C LYS A 111 -2.342 -9.646 -11.898 1.00 33.32 C ATOM 1748 O LYS A 111 -3.396 -9.527 -12.522 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.337 -7.556 -10.961 1.00 20.42 C ATOM 1750 CG LYS A 111 -0.100 -7.782 -11.814 1.00 74.20 C ATOM 1751 CD LYS A 111 -0.414 -7.665 -13.296 1.00 34.11 C ATOM 1752 CE LYS A 111 0.701 -6.956 -14.049 1.00 74.34 C ATOM 1753 NZ LYS A 111 0.345 -6.721 -15.475 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.382 -9.323 -9.513 1.00 4.43 H new ATOM 0 HA LYS A 111 -3.055 -8.586 -10.185 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -2.009 -6.876 -11.484 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.044 -7.064 -10.033 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.666 -7.055 -11.545 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.311 -8.770 -11.605 1.00 74.20 H new ATOM 0 HD2 LYS A 111 -0.563 -8.659 -13.717 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -1.348 -7.119 -13.429 1.00 34.11 H new ATOM 0 HE2 LYS A 111 0.916 -6.003 -13.566 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.612 -7.553 -13.996 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 1.131 -6.236 -15.954 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 0.165 -7.632 -15.943 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 -0.509 -6.130 -15.527 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.364 -10.464 -12.277 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.479 -11.287 -13.475 1.00 10.21 C ATOM 1769 C GLN A 112 -2.408 -12.472 -13.235 1.00 0.31 C ATOM 1770 O GLN A 112 -3.103 -12.924 -14.145 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.100 -11.785 -13.912 1.00 41.41 C ATOM 1772 CG GLN A 112 0.575 -12.681 -12.886 1.00 33.01 C ATOM 1773 CD GLN A 112 1.855 -13.304 -13.408 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.886 -12.638 -13.511 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.796 -14.587 -13.743 1.00 73.33 N ATOM 0 H GLN A 112 -0.485 -10.574 -11.772 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.903 -10.671 -14.268 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.200 -12.332 -14.850 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.541 -10.926 -14.111 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.797 -12.099 -11.991 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.115 -13.471 -12.589 1.00 33.01 H new ATOM 0 HE21 GLN A 112 0.921 -15.101 -13.641 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.626 -15.059 -14.102 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.414 -12.972 -12.003 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.259 -14.105 -11.643 1.00 53.54 C ATOM 1786 C VAL A 113 -4.728 -13.699 -11.584 1.00 33.44 C ATOM 1787 O VAL A 113 -5.577 -14.308 -12.235 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.848 -14.701 -10.283 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.908 -15.669 -9.782 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.495 -15.387 -10.390 1.00 71.43 C ATOM 0 H VAL A 113 -1.844 -12.611 -11.238 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.124 -14.859 -12.418 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.762 -13.889 -9.561 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.600 -16.080 -8.820 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.855 -15.143 -9.665 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.029 -16.479 -10.501 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.220 -15.802 -9.420 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.551 -16.189 -11.126 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.743 -14.662 -10.701 1.00 71.43 H new ATOM 1800 N VAL A 114 -5.020 -12.666 -10.801 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.386 -12.178 -10.659 1.00 44.31 C ATOM 1802 C VAL A 114 -6.989 -11.829 -12.015 1.00 24.40 C ATOM 1803 O VAL A 114 -8.166 -12.085 -12.268 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.446 -10.936 -9.748 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -6.048 -11.298 -8.325 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.555 -9.831 -10.294 1.00 62.43 C ATOM 0 H VAL A 114 -4.329 -12.151 -10.255 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.964 -12.982 -10.204 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.472 -10.569 -9.731 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -6.096 -10.409 -7.696 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.731 -12.054 -7.937 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -5.031 -11.691 -8.320 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.610 -8.962 -9.638 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.525 -10.185 -10.343 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.891 -9.553 -11.293 1.00 62.43 H new ATOM 1816 N THR A 115 -6.174 -11.240 -12.885 1.00 11.13 N ATOM 1817 CA THR A 115 -6.627 -10.855 -14.215 1.00 33.11 C ATOM 1818 C THR A 115 -6.842 -12.079 -15.099 1.00 25.41 C ATOM 1819 O THR A 115 -7.691 -12.070 -15.990 1.00 0.53 O ATOM 1820 CB THR A 115 -5.618 -9.913 -14.901 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.415 -8.745 -14.097 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.111 -9.505 -16.281 1.00 72.31 C ATOM 0 H THR A 115 -5.197 -11.020 -12.692 1.00 11.13 H new ATOM 0 HA THR A 115 -7.574 -10.331 -14.087 1.00 33.11 H new ATOM 0 HB THR A 115 -4.674 -10.446 -15.013 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.789 -8.952 -13.372 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.383 -8.840 -16.746 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.238 -10.394 -16.899 1.00 72.31 H new ATOM 0 HG23 THR A 115 -7.066 -8.988 -16.188 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.068 -13.130 -14.845 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.176 -14.361 -15.618 1.00 54.01 C ATOM 1832 C GLN A 116 -7.458 -15.112 -15.271 1.00 61.15 C ATOM 1833 O GLN A 116 -8.207 -15.524 -16.157 1.00 62.10 O ATOM 1834 CB GLN A 116 -4.962 -15.256 -15.364 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.746 -14.880 -16.195 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.462 -15.480 -15.654 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -2.136 -15.320 -14.477 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -1.725 -16.175 -16.512 1.00 23.42 N ATOM 0 H GLN A 116 -5.360 -13.153 -14.111 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.208 -14.095 -16.675 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.699 -15.207 -14.307 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.232 -16.290 -15.577 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -3.895 -15.214 -17.222 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.652 -13.794 -16.224 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.033 -16.283 -17.478 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -0.851 -16.601 -16.205 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.703 -15.286 -13.977 1.00 54.30 N ATOM 1848 CA ARG A 117 -8.893 -15.988 -13.512 1.00 0.51 C ATOM 1849 C ARG A 117 -10.158 -15.348 -14.077 1.00 2.44 C ATOM 1850 O ARG A 117 -11.173 -16.018 -14.268 1.00 12.00 O ATOM 1851 CB ARG A 117 -8.948 -15.988 -11.983 1.00 31.12 C ATOM 1852 CG ARG A 117 -7.741 -16.641 -11.331 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.636 -18.112 -11.701 1.00 72.54 C ATOM 1854 NE ARG A 117 -8.885 -18.829 -11.455 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.247 -19.288 -10.263 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.460 -19.104 -9.211 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.399 -19.930 -10.119 1.00 63.20 N ATOM 0 H ARG A 117 -7.093 -14.950 -13.231 1.00 54.30 H new ATOM 0 HA ARG A 117 -8.838 -17.017 -13.866 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.029 -14.960 -11.631 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -9.850 -16.507 -11.660 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -6.834 -16.121 -11.640 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -7.813 -16.541 -10.248 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -7.367 -18.203 -12.753 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -6.833 -18.574 -11.126 1.00 72.54 H new ATOM 0 HE ARG A 117 -9.514 -18.986 -12.243 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.575 -18.609 -9.317 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -8.740 -19.458 -8.296 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.008 -20.072 -10.925 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.676 -20.282 -9.202 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.088 -14.048 -14.344 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.227 -13.318 -14.888 1.00 4.21 C ATOM 1873 C VAL A 118 -11.681 -13.916 -16.215 1.00 14.31 C ATOM 1874 O VAL A 118 -12.872 -14.136 -16.433 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.890 -11.829 -15.098 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.081 -11.090 -15.688 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.453 -11.192 -13.787 1.00 2.43 C ATOM 0 H VAL A 118 -9.255 -13.479 -14.193 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.034 -13.402 -14.160 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.063 -11.758 -15.804 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.824 -10.040 -15.829 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.344 -11.532 -16.649 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.930 -11.168 -15.009 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.219 -10.141 -13.954 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.258 -11.273 -13.057 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.568 -11.705 -13.410 1.00 2.43 H new