USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 953 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 94 LYS NZ :NH3+ -120:sc= -0.0875 (180deg=-1.69!) USER MOD Set 1.2: A 95 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 87 MET CE :methyl -119:sc= -0.794 (180deg=-2.28!) USER MOD Single : A 10 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 11 THR OG1 : rot -150:sc= -0.954 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -83:sc= 0.789 USER MOD Single : A 29 SER OG : rot 180:sc= -0.139 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.87) USER MOD Single : A 46 TYR OH : rot 41:sc= 0.00721 USER MOD Single : A 48 GLN : amide:sc=-0.00194 K(o=-0.0019,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.012 USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.71) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 79 SER OG : rot -49:sc= 0.828 USER MOD Single : A 81 MET CE :methyl -157:sc= -3.39 (180deg=-5.53!) USER MOD Single : A 82 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.5) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 88 THR OG1 : rot 65:sc= 1.28 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc=-0.00776 (180deg=-0.00776) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 96 GLN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=-0.32) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.24) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 4 1.292 -6.500 -12.335 1.00 23.51 N ATOM 58 CA GLY A 4 0.775 -7.523 -13.226 1.00 5.22 C ATOM 59 C GLY A 4 -0.723 -7.415 -13.424 1.00 75.21 C ATOM 60 O GLY A 4 -1.374 -8.378 -13.834 1.00 1.32 O ATOM 0 HA2 GLY A 4 1.273 -7.444 -14.192 1.00 5.22 H new ATOM 0 HA3 GLY A 4 1.015 -8.507 -12.823 1.00 5.22 H new ATOM 64 N LEU A 5 -1.274 -6.242 -13.132 1.00 35.31 N ATOM 65 CA LEU A 5 -2.708 -6.012 -13.279 1.00 25.42 C ATOM 66 C LEU A 5 -3.004 -4.529 -13.475 1.00 3.00 C ATOM 67 O LEU A 5 -2.174 -3.675 -13.164 1.00 54.22 O ATOM 68 CB LEU A 5 -3.456 -6.536 -12.052 1.00 14.31 C ATOM 69 CG LEU A 5 -3.317 -5.705 -10.776 1.00 24.55 C ATOM 70 CD1 LEU A 5 -1.860 -5.341 -10.533 1.00 13.23 C ATOM 71 CD2 LEU A 5 -4.176 -4.452 -10.858 1.00 24.01 C ATOM 0 H LEU A 5 -0.750 -5.435 -12.792 1.00 35.31 H new ATOM 0 HA LEU A 5 -3.049 -6.551 -14.163 1.00 25.42 H new ATOM 0 HB2 LEU A 5 -4.515 -6.609 -12.301 1.00 14.31 H new ATOM 0 HB3 LEU A 5 -3.107 -7.547 -11.843 1.00 14.31 H new ATOM 0 HG LEU A 5 -3.666 -6.304 -9.935 1.00 24.55 H new ATOM 0 HD11 LEU A 5 -1.780 -4.750 -9.621 1.00 13.23 H new ATOM 0 HD12 LEU A 5 -1.270 -6.252 -10.428 1.00 13.23 H new ATOM 0 HD13 LEU A 5 -1.485 -4.761 -11.376 1.00 13.23 H new ATOM 0 HD21 LEU A 5 -4.064 -3.873 -9.941 1.00 24.01 H new ATOM 0 HD22 LEU A 5 -3.859 -3.849 -11.709 1.00 24.01 H new ATOM 0 HD23 LEU A 5 -5.221 -4.735 -10.983 1.00 24.01 H new ATOM 83 N GLU A 6 -4.192 -4.231 -13.991 1.00 33.24 N ATOM 84 CA GLU A 6 -4.598 -2.850 -14.226 1.00 63.53 C ATOM 85 C GLU A 6 -5.868 -2.516 -13.450 1.00 73.40 C ATOM 86 O GLU A 6 -6.798 -3.322 -13.384 1.00 44.41 O ATOM 87 CB GLU A 6 -4.822 -2.609 -15.721 1.00 23.43 C ATOM 88 CG GLU A 6 -5.574 -3.734 -16.413 1.00 1.25 C ATOM 89 CD GLU A 6 -7.065 -3.693 -16.139 1.00 41.35 C ATOM 90 OE1 GLU A 6 -7.580 -2.600 -15.823 1.00 44.53 O ATOM 91 OE2 GLU A 6 -7.717 -4.753 -16.242 1.00 1.34 O ATOM 0 H GLU A 6 -4.890 -4.927 -14.254 1.00 33.24 H new ATOM 0 HA GLU A 6 -3.798 -2.198 -13.876 1.00 63.53 H new ATOM 0 HB2 GLU A 6 -5.376 -1.679 -15.852 1.00 23.43 H new ATOM 0 HB3 GLU A 6 -3.856 -2.476 -16.208 1.00 23.43 H new ATOM 0 HG2 GLU A 6 -5.404 -3.672 -17.488 1.00 1.25 H new ATOM 0 HG3 GLU A 6 -5.173 -4.692 -16.081 1.00 1.25 H new ATOM 98 N ILE A 7 -5.900 -1.324 -12.864 1.00 31.41 N ATOM 99 CA ILE A 7 -7.056 -0.883 -12.093 1.00 22.42 C ATOM 100 C ILE A 7 -7.556 0.472 -12.579 1.00 53.40 C ATOM 101 O ILE A 7 -6.771 1.320 -13.002 1.00 2.23 O ATOM 102 CB ILE A 7 -6.728 -0.788 -10.591 1.00 64.50 C ATOM 103 CG1 ILE A 7 -5.363 -0.129 -10.386 1.00 5.42 C ATOM 104 CG2 ILE A 7 -6.755 -2.170 -9.954 1.00 73.05 C ATOM 105 CD1 ILE A 7 -4.215 -1.114 -10.346 1.00 12.44 C ATOM 0 H ILE A 7 -5.139 -0.646 -12.908 1.00 31.41 H new ATOM 0 HA ILE A 7 -7.837 -1.630 -12.240 1.00 22.42 H new ATOM 0 HB ILE A 7 -7.485 -0.171 -10.107 1.00 64.50 H new ATOM 0 HG12 ILE A 7 -5.190 0.586 -11.190 1.00 5.42 H new ATOM 0 HG13 ILE A 7 -5.378 0.437 -9.454 1.00 5.42 H new ATOM 0 HG21 ILE A 7 -6.521 -2.086 -8.893 1.00 73.05 H new ATOM 0 HG22 ILE A 7 -7.747 -2.607 -10.074 1.00 73.05 H new ATOM 0 HG23 ILE A 7 -6.017 -2.809 -10.439 1.00 73.05 H new ATOM 0 HD11 ILE A 7 -3.279 -0.576 -10.198 1.00 12.44 H new ATOM 0 HD12 ILE A 7 -4.365 -1.814 -9.524 1.00 12.44 H new ATOM 0 HD13 ILE A 7 -4.173 -1.663 -11.287 1.00 12.44 H new ATOM 117 N ALA A 8 -8.869 0.670 -12.514 1.00 41.53 N ATOM 118 CA ALA A 8 -9.474 1.925 -12.944 1.00 73.22 C ATOM 119 C ALA A 8 -10.374 2.501 -11.856 1.00 43.52 C ATOM 120 O ALA A 8 -11.027 1.762 -11.120 1.00 73.23 O ATOM 121 CB ALA A 8 -10.263 1.717 -14.229 1.00 10.13 C ATOM 0 H ALA A 8 -9.534 -0.022 -12.168 1.00 41.53 H new ATOM 0 HA ALA A 8 -8.674 2.640 -13.133 1.00 73.22 H new ATOM 0 HB1 ALA A 8 -10.709 2.662 -14.539 1.00 10.13 H new ATOM 0 HB2 ALA A 8 -9.595 1.357 -15.012 1.00 10.13 H new ATOM 0 HB3 ALA A 8 -11.050 0.983 -14.058 1.00 10.13 H new ATOM 127 N PHE A 9 -10.402 3.827 -11.759 1.00 71.52 N ATOM 128 CA PHE A 9 -11.220 4.503 -10.759 1.00 75.43 C ATOM 129 C PHE A 9 -11.974 5.677 -11.377 1.00 2.12 C ATOM 130 O PHE A 9 -11.416 6.438 -12.167 1.00 53.10 O ATOM 131 CB PHE A 9 -10.348 4.993 -9.602 1.00 42.43 C ATOM 132 CG PHE A 9 -11.111 5.758 -8.559 1.00 4.42 C ATOM 133 CD1 PHE A 9 -12.010 5.112 -7.726 1.00 41.23 C ATOM 134 CD2 PHE A 9 -10.929 7.124 -8.411 1.00 5.01 C ATOM 135 CE1 PHE A 9 -12.713 5.813 -6.765 1.00 13.13 C ATOM 136 CE2 PHE A 9 -11.629 7.830 -7.451 1.00 4.11 C ATOM 137 CZ PHE A 9 -12.523 7.174 -6.628 1.00 0.13 C ATOM 0 H PHE A 9 -9.868 4.454 -12.361 1.00 71.52 H new ATOM 0 HA PHE A 9 -11.948 3.787 -10.377 1.00 75.43 H new ATOM 0 HB2 PHE A 9 -9.866 4.136 -9.132 1.00 42.43 H new ATOM 0 HB3 PHE A 9 -9.555 5.627 -9.998 1.00 42.43 H new ATOM 0 HD1 PHE A 9 -12.163 4.048 -7.829 1.00 41.23 H new ATOM 0 HD2 PHE A 9 -10.232 7.643 -9.053 1.00 5.01 H new ATOM 0 HE1 PHE A 9 -13.410 5.297 -6.122 1.00 13.13 H new ATOM 0 HE2 PHE A 9 -11.477 8.894 -7.345 1.00 4.11 H new ATOM 0 HZ PHE A 9 -13.073 7.724 -5.879 1.00 0.13 H new ATOM 147 N GLN A 10 -13.244 5.816 -11.010 1.00 42.23 N ATOM 148 CA GLN A 10 -14.074 6.897 -11.529 1.00 71.30 C ATOM 149 C GLN A 10 -14.257 7.993 -10.484 1.00 62.42 C ATOM 150 O GLN A 10 -14.063 7.765 -9.289 1.00 51.34 O ATOM 151 CB GLN A 10 -15.438 6.357 -11.963 1.00 61.11 C ATOM 152 CG GLN A 10 -16.129 5.522 -10.897 1.00 61.23 C ATOM 153 CD GLN A 10 -17.632 5.716 -10.888 1.00 34.14 C ATOM 154 OE1 GLN A 10 -18.297 5.556 -11.912 1.00 33.24 O ATOM 155 NE2 GLN A 10 -18.177 6.063 -9.727 1.00 73.24 N ATOM 0 H GLN A 10 -13.720 5.195 -10.356 1.00 42.23 H new ATOM 0 HA GLN A 10 -13.569 7.326 -12.394 1.00 71.30 H new ATOM 0 HB2 GLN A 10 -16.082 7.194 -12.231 1.00 61.11 H new ATOM 0 HB3 GLN A 10 -15.311 5.752 -12.861 1.00 61.11 H new ATOM 0 HG2 GLN A 10 -15.903 4.469 -11.063 1.00 61.23 H new ATOM 0 HG3 GLN A 10 -15.727 5.784 -9.918 1.00 61.23 H new ATOM 0 HE21 GLN A 10 -17.588 6.185 -8.903 1.00 73.24 H new ATOM 0 HE22 GLN A 10 -19.184 6.208 -9.659 1.00 73.24 H new ATOM 164 N THR A 11 -14.631 9.183 -10.942 1.00 1.53 N ATOM 165 CA THR A 11 -14.838 10.315 -10.047 1.00 53.23 C ATOM 166 C THR A 11 -15.738 11.366 -10.689 1.00 23.51 C ATOM 167 O THR A 11 -15.831 11.452 -11.914 1.00 22.33 O ATOM 168 CB THR A 11 -13.502 10.972 -9.653 1.00 21.11 C ATOM 169 OG1 THR A 11 -13.734 12.296 -9.159 1.00 65.10 O ATOM 170 CG2 THR A 11 -12.555 11.027 -10.842 1.00 5.22 C ATOM 0 H THR A 11 -14.797 9.388 -11.927 1.00 1.53 H new ATOM 0 HA THR A 11 -15.321 9.925 -9.151 1.00 53.23 H new ATOM 0 HB THR A 11 -13.042 10.368 -8.870 1.00 21.11 H new ATOM 0 HG1 THR A 11 -12.957 12.859 -9.355 1.00 65.10 H new ATOM 0 HG21 THR A 11 -11.618 11.495 -10.540 1.00 5.22 H new ATOM 0 HG22 THR A 11 -12.357 10.015 -11.197 1.00 5.22 H new ATOM 0 HG23 THR A 11 -13.010 11.610 -11.643 1.00 5.22 H new ATOM 178 N ILE A 12 -16.397 12.162 -9.855 1.00 12.22 N ATOM 179 CA ILE A 12 -17.288 13.208 -10.342 1.00 42.20 C ATOM 180 C ILE A 12 -17.038 14.525 -9.616 1.00 1.45 C ATOM 181 O ILE A 12 -16.710 15.536 -10.236 1.00 74.32 O ATOM 182 CB ILE A 12 -18.767 12.813 -10.171 1.00 44.22 C ATOM 183 CG1 ILE A 12 -18.929 11.297 -10.293 1.00 73.30 C ATOM 184 CG2 ILE A 12 -19.628 13.528 -11.201 1.00 52.31 C ATOM 185 CD1 ILE A 12 -18.821 10.569 -8.971 1.00 40.22 C ATOM 0 H ILE A 12 -16.331 12.103 -8.839 1.00 12.22 H new ATOM 0 HA ILE A 12 -17.075 13.335 -11.403 1.00 42.20 H new ATOM 0 HB ILE A 12 -19.097 13.116 -9.177 1.00 44.22 H new ATOM 0 HG12 ILE A 12 -19.898 11.078 -10.741 1.00 73.30 H new ATOM 0 HG13 ILE A 12 -18.169 10.912 -10.974 1.00 73.30 H new ATOM 0 HG21 ILE A 12 -20.670 13.239 -11.068 1.00 52.31 H new ATOM 0 HG22 ILE A 12 -19.531 14.606 -11.071 1.00 52.31 H new ATOM 0 HG23 ILE A 12 -19.300 13.252 -12.203 1.00 52.31 H new ATOM 0 HD11 ILE A 12 -18.946 9.498 -9.134 1.00 40.22 H new ATOM 0 HD12 ILE A 12 -17.842 10.757 -8.531 1.00 40.22 H new ATOM 0 HD13 ILE A 12 -19.598 10.926 -8.295 1.00 40.22 H new ATOM 237 N ASP A 16 -14.520 12.278 -4.436 1.00 3.14 N ATOM 238 CA ASP A 16 -13.982 11.632 -5.627 1.00 23.40 C ATOM 239 C ASP A 16 -12.771 12.392 -6.158 1.00 43.41 C ATOM 240 O ASP A 16 -11.659 11.866 -6.186 1.00 70.42 O ATOM 241 CB ASP A 16 -15.056 11.537 -6.711 1.00 52.54 C ATOM 242 CG ASP A 16 -16.424 11.212 -6.144 1.00 60.14 C ATOM 243 OD1 ASP A 16 -16.532 10.229 -5.381 1.00 43.02 O ATOM 244 OD2 ASP A 16 -17.387 11.940 -6.463 1.00 44.42 O ATOM 0 HA ASP A 16 -13.665 10.626 -5.352 1.00 23.40 H new ATOM 0 HB2 ASP A 16 -15.106 12.481 -7.253 1.00 52.54 H new ATOM 0 HB3 ASP A 16 -14.773 10.770 -7.432 1.00 52.54 H new ATOM 249 N GLU A 17 -12.995 13.633 -6.579 1.00 15.21 N ATOM 250 CA GLU A 17 -11.922 14.465 -7.111 1.00 34.21 C ATOM 251 C GLU A 17 -10.727 14.484 -6.162 1.00 73.31 C ATOM 252 O GLU A 17 -9.586 14.292 -6.581 1.00 23.13 O ATOM 253 CB GLU A 17 -12.422 15.891 -7.348 1.00 12.54 C ATOM 254 CG GLU A 17 -13.156 16.485 -6.157 1.00 32.43 C ATOM 255 CD GLU A 17 -13.777 17.833 -6.467 1.00 31.14 C ATOM 256 OE1 GLU A 17 -13.762 18.236 -7.648 1.00 50.22 O ATOM 257 OE2 GLU A 17 -14.279 18.485 -5.526 1.00 64.55 O ATOM 0 H GLU A 17 -13.910 14.084 -6.562 1.00 15.21 H new ATOM 0 HA GLU A 17 -11.602 14.037 -8.061 1.00 34.21 H new ATOM 0 HB2 GLU A 17 -11.573 16.528 -7.595 1.00 12.54 H new ATOM 0 HB3 GLU A 17 -13.086 15.895 -8.212 1.00 12.54 H new ATOM 0 HG2 GLU A 17 -13.936 15.795 -5.835 1.00 32.43 H new ATOM 0 HG3 GLU A 17 -12.462 16.592 -5.324 1.00 32.43 H new ATOM 264 N SER A 18 -10.999 14.717 -4.882 1.00 72.01 N ATOM 265 CA SER A 18 -9.947 14.766 -3.874 1.00 21.33 C ATOM 266 C SER A 18 -9.180 13.448 -3.825 1.00 21.31 C ATOM 267 O SER A 18 -7.950 13.434 -3.760 1.00 61.40 O ATOM 268 CB SER A 18 -10.543 15.073 -2.499 1.00 1.23 C ATOM 269 OG SER A 18 -10.610 16.471 -2.273 1.00 74.41 O ATOM 0 H SER A 18 -11.939 14.875 -4.519 1.00 72.01 H new ATOM 0 HA SER A 18 -9.253 15.561 -4.147 1.00 21.33 H new ATOM 0 HB2 SER A 18 -11.541 14.642 -2.427 1.00 1.23 H new ATOM 0 HB3 SER A 18 -9.937 14.605 -1.724 1.00 1.23 H new ATOM 0 HG SER A 18 -10.996 16.641 -1.388 1.00 74.41 H new ATOM 275 N LEU A 19 -9.915 12.342 -3.857 1.00 22.55 N ATOM 276 CA LEU A 19 -9.305 11.017 -3.816 1.00 73.30 C ATOM 277 C LEU A 19 -8.408 10.793 -5.029 1.00 72.31 C ATOM 278 O LEU A 19 -7.386 10.113 -4.941 1.00 63.33 O ATOM 279 CB LEU A 19 -10.388 9.937 -3.762 1.00 2.24 C ATOM 280 CG LEU A 19 -9.904 8.515 -3.479 1.00 25.33 C ATOM 281 CD1 LEU A 19 -9.318 7.890 -4.736 1.00 11.24 C ATOM 282 CD2 LEU A 19 -8.879 8.514 -2.354 1.00 2.14 C ATOM 0 H LEU A 19 -10.934 12.336 -3.911 1.00 22.55 H new ATOM 0 HA LEU A 19 -8.692 10.954 -2.917 1.00 73.30 H new ATOM 0 HB2 LEU A 19 -11.110 10.213 -2.994 1.00 2.24 H new ATOM 0 HB3 LEU A 19 -10.920 9.936 -4.714 1.00 2.24 H new ATOM 0 HG LEU A 19 -10.759 7.917 -3.165 1.00 25.33 H new ATOM 0 HD11 LEU A 19 -8.979 6.878 -4.515 1.00 11.24 H new ATOM 0 HD12 LEU A 19 -10.080 7.855 -5.514 1.00 11.24 H new ATOM 0 HD13 LEU A 19 -8.474 8.488 -5.081 1.00 11.24 H new ATOM 0 HD21 LEU A 19 -8.546 7.493 -2.166 1.00 2.14 H new ATOM 0 HD22 LEU A 19 -8.025 9.128 -2.640 1.00 2.14 H new ATOM 0 HD23 LEU A 19 -9.331 8.920 -1.449 1.00 2.14 H new ATOM 294 N VAL A 20 -8.797 11.371 -6.161 1.00 70.02 N ATOM 295 CA VAL A 20 -8.027 11.237 -7.392 1.00 5.53 C ATOM 296 C VAL A 20 -6.696 11.974 -7.290 1.00 2.44 C ATOM 297 O VAL A 20 -5.634 11.390 -7.502 1.00 31.43 O ATOM 298 CB VAL A 20 -8.808 11.777 -8.604 1.00 41.05 C ATOM 299 CG1 VAL A 20 -7.979 11.650 -9.873 1.00 41.04 C ATOM 300 CG2 VAL A 20 -10.135 11.048 -8.750 1.00 11.13 C ATOM 0 H VAL A 20 -9.641 11.937 -6.251 1.00 70.02 H new ATOM 0 HA VAL A 20 -7.840 10.173 -7.534 1.00 5.53 H new ATOM 0 HB VAL A 20 -9.016 12.834 -8.438 1.00 41.05 H new ATOM 0 HG11 VAL A 20 -8.547 12.037 -10.719 1.00 41.04 H new ATOM 0 HG12 VAL A 20 -7.057 12.221 -9.764 1.00 41.04 H new ATOM 0 HG13 VAL A 20 -7.738 10.601 -10.047 1.00 41.04 H new ATOM 0 HG21 VAL A 20 -10.674 11.442 -9.612 1.00 11.13 H new ATOM 0 HG22 VAL A 20 -9.951 9.983 -8.893 1.00 11.13 H new ATOM 0 HG23 VAL A 20 -10.732 11.195 -7.850 1.00 11.13 H new ATOM 310 N GLN A 21 -6.762 13.261 -6.963 1.00 2.11 N ATOM 311 CA GLN A 21 -5.561 14.078 -6.833 1.00 12.22 C ATOM 312 C GLN A 21 -4.698 13.596 -5.671 1.00 50.44 C ATOM 313 O GLN A 21 -3.484 13.798 -5.662 1.00 52.30 O ATOM 314 CB GLN A 21 -5.938 15.547 -6.629 1.00 22.30 C ATOM 315 CG GLN A 21 -6.718 15.803 -5.350 1.00 30.23 C ATOM 316 CD GLN A 21 -7.025 17.272 -5.138 1.00 14.02 C ATOM 317 OE1 GLN A 21 -6.630 17.862 -4.132 1.00 32.02 O ATOM 318 NE2 GLN A 21 -7.734 17.872 -6.087 1.00 61.12 N ATOM 0 H GLN A 21 -7.633 13.760 -6.783 1.00 2.11 H new ATOM 0 HA GLN A 21 -4.985 13.982 -7.753 1.00 12.22 H new ATOM 0 HB2 GLN A 21 -5.029 16.148 -6.617 1.00 22.30 H new ATOM 0 HB3 GLN A 21 -6.531 15.883 -7.480 1.00 22.30 H new ATOM 0 HG2 GLN A 21 -7.652 15.241 -5.380 1.00 30.23 H new ATOM 0 HG3 GLN A 21 -6.148 15.429 -4.500 1.00 30.23 H new ATOM 0 HE21 GLN A 21 -8.041 17.345 -6.904 1.00 61.12 H new ATOM 0 HE22 GLN A 21 -7.971 18.860 -5.999 1.00 61.12 H new ATOM 327 N ALA A 22 -5.333 12.959 -4.693 1.00 71.13 N ATOM 328 CA ALA A 22 -4.623 12.447 -3.528 1.00 21.01 C ATOM 329 C ALA A 22 -3.932 11.124 -3.843 1.00 15.30 C ATOM 330 O ALA A 22 -2.735 10.964 -3.602 1.00 51.42 O ATOM 331 CB ALA A 22 -5.581 12.279 -2.358 1.00 20.11 C ATOM 0 H ALA A 22 -6.338 12.785 -4.684 1.00 71.13 H new ATOM 0 HA ALA A 22 -3.856 13.171 -3.254 1.00 21.01 H new ATOM 0 HB1 ALA A 22 -5.037 11.896 -1.495 1.00 20.11 H new ATOM 0 HB2 ALA A 22 -6.024 13.243 -2.109 1.00 20.11 H new ATOM 0 HB3 ALA A 22 -6.369 11.577 -2.631 1.00 20.11 H new ATOM 337 N LEU A 23 -4.694 10.179 -4.382 1.00 20.42 N ATOM 338 CA LEU A 23 -4.155 8.868 -4.730 1.00 12.34 C ATOM 339 C LEU A 23 -3.039 8.995 -5.761 1.00 61.22 C ATOM 340 O LEU A 23 -2.079 8.225 -5.749 1.00 2.10 O ATOM 341 CB LEU A 23 -5.265 7.966 -5.271 1.00 34.22 C ATOM 342 CG LEU A 23 -5.558 8.085 -6.767 1.00 12.42 C ATOM 343 CD1 LEU A 23 -4.647 7.166 -7.564 1.00 61.53 C ATOM 344 CD2 LEU A 23 -7.019 7.769 -7.051 1.00 53.32 C ATOM 0 H LEU A 23 -5.686 10.295 -4.588 1.00 20.42 H new ATOM 0 HA LEU A 23 -3.740 8.421 -3.826 1.00 12.34 H new ATOM 0 HB2 LEU A 23 -5.002 6.931 -5.054 1.00 34.22 H new ATOM 0 HB3 LEU A 23 -6.182 8.184 -4.723 1.00 34.22 H new ATOM 0 HG LEU A 23 -5.363 9.112 -7.075 1.00 12.42 H new ATOM 0 HD11 LEU A 23 -4.870 7.264 -8.626 1.00 61.53 H new ATOM 0 HD12 LEU A 23 -3.607 7.440 -7.385 1.00 61.53 H new ATOM 0 HD13 LEU A 23 -4.809 6.134 -7.253 1.00 61.53 H new ATOM 0 HD21 LEU A 23 -7.209 7.859 -8.120 1.00 53.32 H new ATOM 0 HD22 LEU A 23 -7.241 6.752 -6.727 1.00 53.32 H new ATOM 0 HD23 LEU A 23 -7.655 8.469 -6.509 1.00 53.32 H new ATOM 356 N ALA A 24 -3.171 9.972 -6.652 1.00 11.53 N ATOM 357 CA ALA A 24 -2.172 10.203 -7.687 1.00 62.35 C ATOM 358 C ALA A 24 -0.806 10.499 -7.077 1.00 32.44 C ATOM 359 O ALA A 24 0.185 9.848 -7.404 1.00 43.13 O ATOM 360 CB ALA A 24 -2.605 11.345 -8.594 1.00 71.14 C ATOM 0 H ALA A 24 -3.961 10.617 -6.677 1.00 11.53 H new ATOM 0 HA ALA A 24 -2.086 9.294 -8.282 1.00 62.35 H new ATOM 0 HB1 ALA A 24 -1.849 11.506 -9.362 1.00 71.14 H new ATOM 0 HB2 ALA A 24 -3.555 11.094 -9.066 1.00 71.14 H new ATOM 0 HB3 ALA A 24 -2.722 12.254 -8.004 1.00 71.14 H new ATOM 366 N GLY A 25 -0.762 11.486 -6.187 1.00 31.42 N ATOM 367 CA GLY A 25 0.487 11.851 -5.545 1.00 63.32 C ATOM 368 C GLY A 25 1.026 10.748 -4.655 1.00 14.31 C ATOM 369 O GLY A 25 2.227 10.478 -4.646 1.00 12.41 O ATOM 0 H GLY A 25 -1.569 12.039 -5.899 1.00 31.42 H new ATOM 0 HA2 GLY A 25 1.227 12.092 -6.308 1.00 63.32 H new ATOM 0 HA3 GLY A 25 0.337 12.752 -4.951 1.00 63.32 H new ATOM 373 N VAL A 26 0.135 10.110 -3.902 1.00 63.31 N ATOM 374 CA VAL A 26 0.528 9.031 -3.003 1.00 74.24 C ATOM 375 C VAL A 26 1.100 7.850 -3.779 1.00 44.14 C ATOM 376 O VAL A 26 2.108 7.262 -3.384 1.00 35.12 O ATOM 377 CB VAL A 26 -0.663 8.545 -2.156 1.00 75.13 C ATOM 378 CG1 VAL A 26 -0.221 7.461 -1.185 1.00 74.44 C ATOM 379 CG2 VAL A 26 -1.299 9.710 -1.413 1.00 40.45 C ATOM 0 H VAL A 26 -0.863 10.321 -3.897 1.00 63.31 H new ATOM 0 HA VAL A 26 1.295 9.434 -2.342 1.00 74.24 H new ATOM 0 HB VAL A 26 -1.411 8.118 -2.824 1.00 75.13 H new ATOM 0 HG11 VAL A 26 -1.076 7.130 -0.595 1.00 74.44 H new ATOM 0 HG12 VAL A 26 0.184 6.616 -1.742 1.00 74.44 H new ATOM 0 HG13 VAL A 26 0.546 7.859 -0.520 1.00 74.44 H new ATOM 0 HG21 VAL A 26 -2.139 9.348 -0.820 1.00 40.45 H new ATOM 0 HG22 VAL A 26 -0.561 10.169 -0.755 1.00 40.45 H new ATOM 0 HG23 VAL A 26 -1.654 10.449 -2.131 1.00 40.45 H new ATOM 389 N THR A 27 0.452 7.507 -4.888 1.00 42.23 N ATOM 390 CA THR A 27 0.896 6.396 -5.721 1.00 0.14 C ATOM 391 C THR A 27 2.266 6.677 -6.327 1.00 62.40 C ATOM 392 O THR A 27 3.194 5.882 -6.181 1.00 5.02 O ATOM 393 CB THR A 27 -0.106 6.109 -6.855 1.00 23.42 C ATOM 394 OG1 THR A 27 -0.433 7.323 -7.539 1.00 11.32 O ATOM 395 CG2 THR A 27 -1.374 5.471 -6.308 1.00 21.11 C ATOM 0 H THR A 27 -0.383 7.983 -5.230 1.00 42.23 H new ATOM 0 HA THR A 27 0.961 5.521 -5.074 1.00 0.14 H new ATOM 0 HB THR A 27 0.359 5.414 -7.554 1.00 23.42 H new ATOM 0 HG1 THR A 27 -1.134 7.798 -7.045 1.00 11.32 H new ATOM 0 HG21 THR A 27 -2.067 5.278 -7.127 1.00 21.11 H new ATOM 0 HG22 THR A 27 -1.125 4.532 -5.814 1.00 21.11 H new ATOM 0 HG23 THR A 27 -1.840 6.146 -5.590 1.00 21.11 H new ATOM 403 N ALA A 28 2.386 7.812 -7.008 1.00 32.23 N ATOM 404 CA ALA A 28 3.644 8.198 -7.634 1.00 0.01 C ATOM 405 C ALA A 28 4.765 8.289 -6.604 1.00 13.32 C ATOM 406 O ALA A 28 5.910 7.937 -6.886 1.00 30.14 O ATOM 407 CB ALA A 28 3.485 9.524 -8.363 1.00 65.01 C ATOM 0 H ALA A 28 1.627 8.480 -7.140 1.00 32.23 H new ATOM 0 HA ALA A 28 3.913 7.428 -8.357 1.00 0.01 H new ATOM 0 HB1 ALA A 28 4.432 9.801 -8.826 1.00 65.01 H new ATOM 0 HB2 ALA A 28 2.720 9.426 -9.133 1.00 65.01 H new ATOM 0 HB3 ALA A 28 3.189 10.296 -7.653 1.00 65.01 H new ATOM 413 N SER A 29 4.427 8.765 -5.410 1.00 1.15 N ATOM 414 CA SER A 29 5.407 8.907 -4.339 1.00 15.05 C ATOM 415 C SER A 29 5.758 7.548 -3.740 1.00 52.31 C ATOM 416 O SER A 29 6.904 7.300 -3.367 1.00 23.24 O ATOM 417 CB SER A 29 4.869 9.834 -3.247 1.00 10.23 C ATOM 418 OG SER A 29 5.667 9.762 -2.078 1.00 34.43 O ATOM 0 H SER A 29 3.483 9.059 -5.160 1.00 1.15 H new ATOM 0 HA SER A 29 6.312 9.343 -4.763 1.00 15.05 H new ATOM 0 HB2 SER A 29 4.848 10.860 -3.614 1.00 10.23 H new ATOM 0 HB3 SER A 29 3.842 9.561 -3.007 1.00 10.23 H new ATOM 0 HG SER A 29 5.303 10.365 -1.396 1.00 34.43 H new ATOM 424 N ASP A 30 4.763 6.673 -3.652 1.00 72.45 N ATOM 425 CA ASP A 30 4.965 5.338 -3.101 1.00 21.03 C ATOM 426 C ASP A 30 5.637 4.424 -4.121 1.00 1.31 C ATOM 427 O ASP A 30 6.171 3.371 -3.770 1.00 54.54 O ATOM 428 CB ASP A 30 3.629 4.737 -2.661 1.00 23.31 C ATOM 429 CG ASP A 30 3.262 5.119 -1.240 1.00 61.25 C ATOM 430 OD1 ASP A 30 3.731 4.439 -0.303 1.00 15.41 O ATOM 431 OD2 ASP A 30 2.507 6.098 -1.066 1.00 71.23 O ATOM 0 H ASP A 30 3.808 6.864 -3.955 1.00 72.45 H new ATOM 0 HA ASP A 30 5.619 5.426 -2.233 1.00 21.03 H new ATOM 0 HB2 ASP A 30 2.843 5.071 -3.338 1.00 23.31 H new ATOM 0 HB3 ASP A 30 3.679 3.651 -2.741 1.00 23.31 H new ATOM 436 N PHE A 31 5.606 4.834 -5.385 1.00 23.52 N ATOM 437 CA PHE A 31 6.210 4.051 -6.457 1.00 24.13 C ATOM 438 C PHE A 31 7.411 4.781 -7.053 1.00 33.51 C ATOM 439 O PHE A 31 7.360 5.307 -8.165 1.00 14.14 O ATOM 440 CB PHE A 31 5.180 3.763 -7.550 1.00 54.12 C ATOM 441 CG PHE A 31 4.106 2.803 -7.124 1.00 60.12 C ATOM 442 CD1 PHE A 31 4.433 1.539 -6.659 1.00 51.42 C ATOM 443 CD2 PHE A 31 2.770 3.164 -7.189 1.00 72.24 C ATOM 444 CE1 PHE A 31 3.447 0.653 -6.266 1.00 45.40 C ATOM 445 CE2 PHE A 31 1.780 2.282 -6.797 1.00 41.33 C ATOM 446 CZ PHE A 31 2.119 1.025 -6.336 1.00 43.22 C ATOM 0 H PHE A 31 5.169 5.703 -5.692 1.00 23.52 H new ATOM 0 HA PHE A 31 6.554 3.107 -6.034 1.00 24.13 H new ATOM 0 HB2 PHE A 31 4.717 4.701 -7.858 1.00 54.12 H new ATOM 0 HB3 PHE A 31 5.692 3.359 -8.423 1.00 54.12 H new ATOM 0 HD1 PHE A 31 5.470 1.243 -6.603 1.00 51.42 H new ATOM 0 HD2 PHE A 31 2.499 4.145 -7.550 1.00 72.24 H new ATOM 0 HE1 PHE A 31 3.715 -0.329 -5.905 1.00 45.40 H new ATOM 0 HE2 PHE A 31 0.742 2.576 -6.851 1.00 41.33 H new ATOM 0 HZ PHE A 31 1.347 0.334 -6.031 1.00 43.22 H new ATOM 501 N ASP A 35 7.510 2.486 -11.896 1.00 62.13 N ATOM 502 CA ASP A 35 6.826 1.386 -12.566 1.00 22.31 C ATOM 503 C ASP A 35 5.313 1.569 -12.505 1.00 30.35 C ATOM 504 O ASP A 35 4.555 0.618 -12.697 1.00 72.22 O ATOM 505 CB ASP A 35 7.217 0.051 -11.929 1.00 42.13 C ATOM 506 CG ASP A 35 6.383 -0.273 -10.706 1.00 30.14 C ATOM 507 OD1 ASP A 35 6.598 0.367 -9.655 1.00 61.51 O ATOM 508 OD2 ASP A 35 5.516 -1.167 -10.798 1.00 74.12 O ATOM 0 HA ASP A 35 7.132 1.384 -13.612 1.00 22.31 H new ATOM 0 HB2 ASP A 35 7.104 -0.746 -12.664 1.00 42.13 H new ATOM 0 HB3 ASP A 35 8.270 0.080 -11.650 1.00 42.13 H new ATOM 513 N ILE A 36 4.881 2.796 -12.234 1.00 61.12 N ATOM 514 CA ILE A 36 3.459 3.103 -12.147 1.00 71.25 C ATOM 515 C ILE A 36 3.006 3.948 -13.333 1.00 13.42 C ATOM 516 O ILE A 36 3.540 5.030 -13.578 1.00 53.34 O ATOM 517 CB ILE A 36 3.122 3.847 -10.842 1.00 21.02 C ATOM 518 CG1 ILE A 36 1.697 4.402 -10.898 1.00 62.52 C ATOM 519 CG2 ILE A 36 4.123 4.967 -10.597 1.00 73.41 C ATOM 520 CD1 ILE A 36 1.638 5.889 -11.168 1.00 72.31 C ATOM 0 H ILE A 36 5.496 3.594 -12.071 1.00 61.12 H new ATOM 0 HA ILE A 36 2.929 2.150 -12.159 1.00 71.25 H new ATOM 0 HB ILE A 36 3.185 3.142 -10.013 1.00 21.02 H new ATOM 0 HG12 ILE A 36 1.142 3.877 -11.676 1.00 62.52 H new ATOM 0 HG13 ILE A 36 1.197 4.192 -9.953 1.00 62.52 H new ATOM 0 HG21 ILE A 36 3.871 5.484 -9.671 1.00 73.41 H new ATOM 0 HG22 ILE A 36 5.126 4.548 -10.518 1.00 73.41 H new ATOM 0 HG23 ILE A 36 4.089 5.673 -11.427 1.00 73.41 H new ATOM 0 HD11 ILE A 36 0.598 6.213 -11.194 1.00 72.31 H new ATOM 0 HD12 ILE A 36 2.165 6.424 -10.378 1.00 72.31 H new ATOM 0 HD13 ILE A 36 2.109 6.104 -12.127 1.00 72.31 H new ATOM 532 N LYS A 37 2.016 3.449 -14.065 1.00 33.13 N ATOM 533 CA LYS A 37 1.487 4.159 -15.223 1.00 73.43 C ATOM 534 C LYS A 37 0.031 4.555 -15.001 1.00 34.25 C ATOM 535 O LYS A 37 -0.880 3.751 -15.203 1.00 65.15 O ATOM 536 CB LYS A 37 1.603 3.289 -16.477 1.00 65.21 C ATOM 537 CG LYS A 37 2.652 3.778 -17.461 1.00 52.13 C ATOM 538 CD LYS A 37 3.985 3.080 -17.249 1.00 74.24 C ATOM 539 CE LYS A 37 4.907 3.898 -16.359 1.00 42.11 C ATOM 540 NZ LYS A 37 5.827 3.033 -15.570 1.00 11.05 N ATOM 0 H LYS A 37 1.563 2.555 -13.876 1.00 33.13 H new ATOM 0 HA LYS A 37 2.075 5.066 -15.361 1.00 73.43 H new ATOM 0 HB2 LYS A 37 1.843 2.268 -16.180 1.00 65.21 H new ATOM 0 HB3 LYS A 37 0.635 3.256 -16.977 1.00 65.21 H new ATOM 0 HG2 LYS A 37 2.306 3.602 -18.480 1.00 52.13 H new ATOM 0 HG3 LYS A 37 2.782 4.854 -17.350 1.00 52.13 H new ATOM 0 HD2 LYS A 37 3.817 2.102 -16.799 1.00 74.24 H new ATOM 0 HD3 LYS A 37 4.465 2.909 -18.213 1.00 74.24 H new ATOM 0 HE2 LYS A 37 5.491 4.584 -16.973 1.00 42.11 H new ATOM 0 HE3 LYS A 37 4.310 4.507 -15.680 1.00 42.11 H new ATOM 0 HZ1 LYS A 37 6.306 3.605 -14.846 1.00 11.05 H new ATOM 0 HZ2 LYS A 37 5.282 2.276 -15.109 1.00 11.05 H new ATOM 0 HZ3 LYS A 37 6.537 2.612 -16.203 1.00 11.05 H new ATOM 554 N TYR A 38 -0.182 5.798 -14.584 1.00 31.03 N ATOM 555 CA TYR A 38 -1.528 6.300 -14.333 1.00 2.23 C ATOM 556 C TYR A 38 -1.820 7.527 -15.191 1.00 53.10 C ATOM 557 O TYR A 38 -0.906 8.184 -15.686 1.00 62.05 O ATOM 558 CB TYR A 38 -1.697 6.647 -12.853 1.00 15.13 C ATOM 559 CG TYR A 38 -1.212 8.034 -12.496 1.00 52.14 C ATOM 560 CD1 TYR A 38 0.129 8.375 -12.620 1.00 23.11 C ATOM 561 CD2 TYR A 38 -2.094 9.003 -12.035 1.00 54.33 C ATOM 562 CE1 TYR A 38 0.578 9.641 -12.295 1.00 34.40 C ATOM 563 CE2 TYR A 38 -1.655 10.272 -11.709 1.00 73.24 C ATOM 564 CZ TYR A 38 -0.319 10.586 -11.841 1.00 24.43 C ATOM 565 OH TYR A 38 0.123 11.848 -11.516 1.00 20.33 O ATOM 0 H TYR A 38 0.560 6.477 -14.413 1.00 31.03 H new ATOM 0 HA TYR A 38 -2.237 5.516 -14.599 1.00 2.23 H new ATOM 0 HB2 TYR A 38 -2.750 6.560 -12.586 1.00 15.13 H new ATOM 0 HB3 TYR A 38 -1.155 5.916 -12.253 1.00 15.13 H new ATOM 0 HD1 TYR A 38 0.833 7.638 -12.977 1.00 23.11 H new ATOM 0 HD2 TYR A 38 -3.141 8.760 -11.930 1.00 54.33 H new ATOM 0 HE1 TYR A 38 1.624 9.889 -12.396 1.00 34.40 H new ATOM 0 HE2 TYR A 38 -2.355 11.014 -11.353 1.00 73.24 H new ATOM 0 HH TYR A 38 -0.634 12.392 -11.214 1.00 20.33 H new ATOM 575 N ASN A 39 -3.103 7.830 -15.361 1.00 72.33 N ATOM 576 CA ASN A 39 -3.518 8.978 -16.159 1.00 73.44 C ATOM 577 C ASN A 39 -4.951 9.383 -15.825 1.00 44.21 C ATOM 578 O ASN A 39 -5.814 8.531 -15.614 1.00 53.30 O ATOM 579 CB ASN A 39 -3.402 8.657 -17.651 1.00 31.01 C ATOM 580 CG ASN A 39 -2.011 8.924 -18.193 1.00 53.41 C ATOM 581 OD1 ASN A 39 -1.503 10.043 -18.106 1.00 74.50 O ATOM 582 ND2 ASN A 39 -1.388 7.896 -18.757 1.00 54.11 N ATOM 0 H ASN A 39 -3.873 7.297 -14.957 1.00 72.33 H new ATOM 0 HA ASN A 39 -2.858 9.812 -15.921 1.00 73.44 H new ATOM 0 HB2 ASN A 39 -3.659 7.611 -17.816 1.00 31.01 H new ATOM 0 HB3 ASN A 39 -4.126 9.254 -18.206 1.00 31.01 H new ATOM 0 HD21 ASN A 39 -0.450 8.016 -19.140 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -1.847 6.987 -18.807 1.00 54.11 H new ATOM 589 N ILE A 40 -5.195 10.689 -15.780 1.00 24.55 N ATOM 590 CA ILE A 40 -6.522 11.207 -15.473 1.00 31.31 C ATOM 591 C ILE A 40 -7.099 11.975 -16.657 1.00 11.32 C ATOM 592 O ILE A 40 -6.511 12.951 -17.124 1.00 1.05 O ATOM 593 CB ILE A 40 -6.495 12.129 -14.240 1.00 52.41 C ATOM 594 CG1 ILE A 40 -5.075 12.226 -13.679 1.00 50.11 C ATOM 595 CG2 ILE A 40 -7.457 11.621 -13.177 1.00 31.22 C ATOM 596 CD1 ILE A 40 -4.981 13.042 -12.409 1.00 14.02 C ATOM 0 H ILE A 40 -4.491 11.407 -15.952 1.00 24.55 H new ATOM 0 HA ILE A 40 -7.155 10.346 -15.258 1.00 31.31 H new ATOM 0 HB ILE A 40 -6.814 13.126 -14.544 1.00 52.41 H new ATOM 0 HG12 ILE A 40 -4.701 11.221 -13.484 1.00 50.11 H new ATOM 0 HG13 ILE A 40 -4.424 12.668 -14.434 1.00 50.11 H new ATOM 0 HG21 ILE A 40 -7.426 12.283 -12.312 1.00 31.22 H new ATOM 0 HG22 ILE A 40 -8.469 11.600 -13.582 1.00 31.22 H new ATOM 0 HG23 ILE A 40 -7.166 10.615 -12.874 1.00 31.22 H new ATOM 0 HD11 ILE A 40 -3.946 13.068 -12.069 1.00 14.02 H new ATOM 0 HD12 ILE A 40 -5.324 14.058 -12.603 1.00 14.02 H new ATOM 0 HD13 ILE A 40 -5.605 12.589 -11.639 1.00 14.02 H new ATOM 608 N PHE A 41 -8.255 11.530 -17.137 1.00 53.13 N ATOM 609 CA PHE A 41 -8.913 12.176 -18.267 1.00 15.42 C ATOM 610 C PHE A 41 -10.371 12.490 -17.940 1.00 44.32 C ATOM 611 O PHE A 41 -11.029 11.748 -17.211 1.00 33.31 O ATOM 612 CB PHE A 41 -8.838 11.284 -19.507 1.00 60.03 C ATOM 613 CG PHE A 41 -8.959 9.819 -19.200 1.00 23.31 C ATOM 614 CD1 PHE A 41 -10.198 9.247 -18.962 1.00 71.02 C ATOM 615 CD2 PHE A 41 -7.832 9.013 -19.148 1.00 54.21 C ATOM 616 CE1 PHE A 41 -10.313 7.899 -18.679 1.00 62.14 C ATOM 617 CE2 PHE A 41 -7.941 7.665 -18.866 1.00 60.53 C ATOM 618 CZ PHE A 41 -9.182 7.107 -18.630 1.00 74.14 C ATOM 0 H PHE A 41 -8.756 10.725 -16.761 1.00 53.13 H new ATOM 0 HA PHE A 41 -8.394 13.113 -18.470 1.00 15.42 H new ATOM 0 HB2 PHE A 41 -9.631 11.569 -20.198 1.00 60.03 H new ATOM 0 HB3 PHE A 41 -7.891 11.463 -20.017 1.00 60.03 H new ATOM 0 HD1 PHE A 41 -11.085 9.862 -18.998 1.00 71.02 H new ATOM 0 HD2 PHE A 41 -6.858 9.444 -19.330 1.00 54.21 H new ATOM 0 HE1 PHE A 41 -11.285 7.466 -18.496 1.00 62.14 H new ATOM 0 HE2 PHE A 41 -7.056 7.048 -18.830 1.00 60.53 H new ATOM 0 HZ PHE A 41 -9.268 6.054 -18.408 1.00 74.14 H new ATOM 628 N LEU A 42 -10.868 13.596 -18.484 1.00 65.44 N ATOM 629 CA LEU A 42 -12.247 14.010 -18.251 1.00 62.34 C ATOM 630 C LEU A 42 -13.120 13.700 -19.463 1.00 34.42 C ATOM 631 O LEU A 42 -12.879 14.202 -20.561 1.00 23.44 O ATOM 632 CB LEU A 42 -12.305 15.505 -17.936 1.00 43.40 C ATOM 633 CG LEU A 42 -13.465 15.960 -17.050 1.00 3.04 C ATOM 634 CD1 LEU A 42 -13.395 17.460 -16.808 1.00 34.25 C ATOM 635 CD2 LEU A 42 -14.797 15.580 -17.679 1.00 13.52 C ATOM 0 H LEU A 42 -10.336 14.222 -19.089 1.00 65.44 H new ATOM 0 HA LEU A 42 -12.629 13.450 -17.398 1.00 62.34 H new ATOM 0 HB2 LEU A 42 -11.371 15.790 -17.452 1.00 43.40 H new ATOM 0 HB3 LEU A 42 -12.357 16.052 -18.877 1.00 43.40 H new ATOM 0 HG LEU A 42 -13.383 15.454 -16.088 1.00 3.04 H new ATOM 0 HD11 LEU A 42 -14.228 17.766 -16.176 1.00 34.25 H new ATOM 0 HD12 LEU A 42 -12.455 17.705 -16.313 1.00 34.25 H new ATOM 0 HD13 LEU A 42 -13.451 17.985 -17.761 1.00 34.25 H new ATOM 0 HD21 LEU A 42 -15.611 15.912 -17.035 1.00 13.52 H new ATOM 0 HD22 LEU A 42 -14.888 16.058 -18.654 1.00 13.52 H new ATOM 0 HD23 LEU A 42 -14.847 14.498 -17.799 1.00 13.52 H new ATOM 647 N VAL A 43 -14.139 12.871 -19.255 1.00 64.41 N ATOM 648 CA VAL A 43 -15.051 12.496 -20.329 1.00 2.10 C ATOM 649 C VAL A 43 -16.385 13.222 -20.195 1.00 62.11 C ATOM 650 O VAL A 43 -16.956 13.297 -19.107 1.00 3.31 O ATOM 651 CB VAL A 43 -15.305 10.977 -20.345 1.00 42.05 C ATOM 652 CG1 VAL A 43 -14.093 10.227 -19.815 1.00 4.02 C ATOM 653 CG2 VAL A 43 -16.548 10.636 -19.538 1.00 53.41 C ATOM 0 H VAL A 43 -14.353 12.447 -18.353 1.00 64.41 H new ATOM 0 HA VAL A 43 -14.574 12.787 -21.265 1.00 2.10 H new ATOM 0 HB VAL A 43 -15.473 10.665 -21.376 1.00 42.05 H new ATOM 0 HG11 VAL A 43 -14.291 9.155 -19.834 1.00 4.02 H new ATOM 0 HG12 VAL A 43 -13.227 10.447 -20.440 1.00 4.02 H new ATOM 0 HG13 VAL A 43 -13.890 10.540 -18.791 1.00 4.02 H new ATOM 0 HG21 VAL A 43 -16.712 9.559 -19.560 1.00 53.41 H new ATOM 0 HG22 VAL A 43 -16.413 10.961 -18.506 1.00 53.41 H new ATOM 0 HG23 VAL A 43 -17.412 11.144 -19.968 1.00 53.41 H new ATOM 663 N ASP A 44 -16.877 13.754 -21.308 1.00 44.34 N ATOM 664 CA ASP A 44 -18.145 14.473 -21.316 1.00 52.44 C ATOM 665 C ASP A 44 -19.007 14.043 -22.499 1.00 64.45 C ATOM 666 O ASP A 44 -18.756 14.436 -23.639 1.00 53.45 O ATOM 667 CB ASP A 44 -17.900 15.982 -21.371 1.00 13.24 C ATOM 668 CG ASP A 44 -16.717 16.346 -22.247 1.00 35.44 C ATOM 669 OD1 ASP A 44 -16.882 16.376 -23.484 1.00 74.44 O ATOM 670 OD2 ASP A 44 -15.627 16.601 -21.694 1.00 71.14 O ATOM 0 H ASP A 44 -16.417 13.701 -22.217 1.00 44.34 H new ATOM 0 HA ASP A 44 -18.676 14.232 -20.395 1.00 52.44 H new ATOM 0 HB2 ASP A 44 -18.794 16.479 -21.748 1.00 13.24 H new ATOM 0 HB3 ASP A 44 -17.729 16.356 -20.362 1.00 13.24 H new ATOM 675 N LEU A 45 -20.021 13.231 -22.222 1.00 10.25 N ATOM 676 CA LEU A 45 -20.920 12.745 -23.263 1.00 3.41 C ATOM 677 C LEU A 45 -22.319 12.505 -22.706 1.00 53.30 C ATOM 678 O LEU A 45 -22.496 12.323 -21.501 1.00 72.23 O ATOM 679 CB LEU A 45 -20.373 11.454 -23.874 1.00 31.10 C ATOM 680 CG LEU A 45 -20.061 11.499 -25.370 1.00 43.01 C ATOM 681 CD1 LEU A 45 -21.264 12.003 -26.152 1.00 30.03 C ATOM 682 CD2 LEU A 45 -18.845 12.376 -25.635 1.00 33.50 C ATOM 0 H LEU A 45 -20.241 12.895 -21.285 1.00 10.25 H new ATOM 0 HA LEU A 45 -20.984 13.508 -24.039 1.00 3.41 H new ATOM 0 HB2 LEU A 45 -19.462 11.181 -23.341 1.00 31.10 H new ATOM 0 HB3 LEU A 45 -21.096 10.658 -23.698 1.00 31.10 H new ATOM 0 HG LEU A 45 -19.835 10.487 -25.705 1.00 43.01 H new ATOM 0 HD11 LEU A 45 -21.023 12.028 -27.215 1.00 30.03 H new ATOM 0 HD12 LEU A 45 -22.110 11.336 -25.988 1.00 30.03 H new ATOM 0 HD13 LEU A 45 -21.523 13.007 -25.815 1.00 30.03 H new ATOM 0 HD21 LEU A 45 -18.637 12.397 -26.705 1.00 33.50 H new ATOM 0 HD22 LEU A 45 -19.043 13.389 -25.284 1.00 33.50 H new ATOM 0 HD23 LEU A 45 -17.982 11.971 -25.106 1.00 33.50 H new ATOM 694 N TYR A 46 -23.310 12.505 -23.591 1.00 31.14 N ATOM 695 CA TYR A 46 -24.694 12.287 -23.188 1.00 14.24 C ATOM 696 C TYR A 46 -25.187 13.423 -22.297 1.00 15.33 C ATOM 697 O TYR A 46 -26.012 13.217 -21.408 1.00 13.14 O ATOM 698 CB TYR A 46 -24.830 10.953 -22.453 1.00 21.51 C ATOM 699 CG TYR A 46 -24.023 9.835 -23.074 1.00 23.11 C ATOM 700 CD1 TYR A 46 -23.958 9.682 -24.453 1.00 71.05 C ATOM 701 CD2 TYR A 46 -23.326 8.931 -22.281 1.00 43.34 C ATOM 702 CE1 TYR A 46 -23.223 8.662 -25.025 1.00 64.04 C ATOM 703 CE2 TYR A 46 -22.586 7.909 -22.845 1.00 15.33 C ATOM 704 CZ TYR A 46 -22.538 7.779 -24.217 1.00 32.41 C ATOM 705 OH TYR A 46 -21.804 6.761 -24.782 1.00 30.02 O ATOM 0 H TYR A 46 -23.180 12.654 -24.592 1.00 31.14 H new ATOM 0 HA TYR A 46 -25.308 12.262 -24.088 1.00 14.24 H new ATOM 0 HB2 TYR A 46 -24.516 11.085 -21.417 1.00 21.51 H new ATOM 0 HB3 TYR A 46 -25.881 10.664 -22.433 1.00 21.51 H new ATOM 0 HD1 TYR A 46 -24.492 10.373 -25.089 1.00 71.05 H new ATOM 0 HD2 TYR A 46 -23.363 9.029 -21.206 1.00 43.34 H new ATOM 0 HE1 TYR A 46 -23.185 8.557 -26.099 1.00 64.04 H new ATOM 0 HE2 TYR A 46 -22.048 7.216 -22.215 1.00 15.33 H new ATOM 0 HH TYR A 46 -21.326 7.100 -25.568 1.00 30.02 H new ATOM 715 N GLY A 47 -24.675 14.625 -22.543 1.00 51.33 N ATOM 716 CA GLY A 47 -25.074 15.778 -21.757 1.00 33.44 C ATOM 717 C GLY A 47 -24.654 15.662 -20.305 1.00 2.22 C ATOM 718 O GLY A 47 -25.137 16.406 -19.452 1.00 5.41 O ATOM 0 H GLY A 47 -23.990 14.821 -23.273 1.00 51.33 H new ATOM 0 HA2 GLY A 47 -24.635 16.678 -22.188 1.00 33.44 H new ATOM 0 HA3 GLY A 47 -26.156 15.894 -21.811 1.00 33.44 H new ATOM 722 N GLN A 48 -23.753 14.726 -20.024 1.00 32.12 N ATOM 723 CA GLN A 48 -23.270 14.515 -18.664 1.00 74.33 C ATOM 724 C GLN A 48 -21.747 14.450 -18.632 1.00 20.14 C ATOM 725 O GLN A 48 -21.125 13.786 -19.462 1.00 0.44 O ATOM 726 CB GLN A 48 -23.860 13.227 -18.085 1.00 40.53 C ATOM 727 CG GLN A 48 -25.379 13.183 -18.125 1.00 20.35 C ATOM 728 CD GLN A 48 -26.015 13.929 -16.968 1.00 41.25 C ATOM 729 OE1 GLN A 48 -25.321 14.505 -16.130 1.00 33.04 O ATOM 730 NE2 GLN A 48 -27.342 13.924 -16.918 1.00 62.22 N ATOM 0 H GLN A 48 -23.343 14.102 -20.719 1.00 32.12 H new ATOM 0 HA GLN A 48 -23.592 15.360 -18.055 1.00 74.33 H new ATOM 0 HB2 GLN A 48 -23.465 12.375 -18.639 1.00 40.53 H new ATOM 0 HB3 GLN A 48 -23.529 13.117 -17.052 1.00 40.53 H new ATOM 0 HG2 GLN A 48 -25.727 13.613 -19.064 1.00 20.35 H new ATOM 0 HG3 GLN A 48 -25.709 12.144 -18.108 1.00 20.35 H new ATOM 0 HE21 GLN A 48 -27.877 13.433 -17.634 1.00 62.22 H new ATOM 0 HE22 GLN A 48 -27.826 14.411 -16.163 1.00 62.22 H new ATOM 739 N LYS A 49 -21.151 15.143 -17.668 1.00 2.43 N ATOM 740 CA LYS A 49 -19.700 15.165 -17.525 1.00 61.31 C ATOM 741 C LYS A 49 -19.255 14.293 -16.355 1.00 13.10 C ATOM 742 O LYS A 49 -19.861 14.319 -15.283 1.00 52.55 O ATOM 743 CB LYS A 49 -19.208 16.600 -17.322 1.00 22.50 C ATOM 744 CG LYS A 49 -19.631 17.550 -18.429 1.00 3.03 C ATOM 745 CD LYS A 49 -20.896 18.306 -18.061 1.00 55.01 C ATOM 746 CE LYS A 49 -20.648 19.805 -17.983 1.00 61.44 C ATOM 747 NZ LYS A 49 -21.883 20.554 -17.622 1.00 32.43 N ATOM 0 H LYS A 49 -21.651 15.698 -16.973 1.00 2.43 H new ATOM 0 HA LYS A 49 -19.264 14.764 -18.440 1.00 61.31 H new ATOM 0 HB2 LYS A 49 -19.586 16.973 -16.370 1.00 22.50 H new ATOM 0 HB3 LYS A 49 -18.120 16.596 -17.254 1.00 22.50 H new ATOM 0 HG2 LYS A 49 -18.827 18.259 -18.628 1.00 3.03 H new ATOM 0 HG3 LYS A 49 -19.796 16.988 -19.348 1.00 3.03 H new ATOM 0 HD2 LYS A 49 -21.671 18.102 -18.800 1.00 55.01 H new ATOM 0 HD3 LYS A 49 -21.269 17.948 -17.102 1.00 55.01 H new ATOM 0 HE2 LYS A 49 -19.872 20.007 -17.244 1.00 61.44 H new ATOM 0 HE3 LYS A 49 -20.275 20.162 -18.943 1.00 61.44 H new ATOM 0 HZ1 LYS A 49 -21.672 21.571 -17.579 1.00 32.43 H new ATOM 0 HZ2 LYS A 49 -22.616 20.382 -18.340 1.00 32.43 H new ATOM 0 HZ3 LYS A 49 -22.225 20.232 -16.694 1.00 32.43 H new ATOM 761 N TYR A 50 -18.194 13.523 -16.567 1.00 3.34 N ATOM 762 CA TYR A 50 -17.669 12.643 -15.529 1.00 42.24 C ATOM 763 C TYR A 50 -16.154 12.502 -15.649 1.00 54.44 C ATOM 764 O TYR A 50 -15.595 12.600 -16.742 1.00 24.33 O ATOM 765 CB TYR A 50 -18.329 11.266 -15.618 1.00 3.14 C ATOM 766 CG TYR A 50 -19.781 11.263 -15.198 1.00 75.14 C ATOM 767 CD1 TYR A 50 -20.137 11.304 -13.856 1.00 14.22 C ATOM 768 CD2 TYR A 50 -20.798 11.218 -16.144 1.00 70.43 C ATOM 769 CE1 TYR A 50 -21.463 11.301 -13.468 1.00 33.21 C ATOM 770 CE2 TYR A 50 -22.126 11.215 -15.766 1.00 15.33 C ATOM 771 CZ TYR A 50 -22.454 11.257 -14.426 1.00 71.25 C ATOM 772 OH TYR A 50 -23.776 11.253 -14.045 1.00 53.22 O ATOM 0 H TYR A 50 -17.680 13.490 -17.448 1.00 3.34 H new ATOM 0 HA TYR A 50 -17.899 13.087 -14.561 1.00 42.24 H new ATOM 0 HB2 TYR A 50 -18.255 10.902 -16.643 1.00 3.14 H new ATOM 0 HB3 TYR A 50 -17.777 10.566 -14.991 1.00 3.14 H new ATOM 0 HD1 TYR A 50 -19.364 11.339 -13.103 1.00 14.22 H new ATOM 0 HD2 TYR A 50 -20.545 11.185 -17.193 1.00 70.43 H new ATOM 0 HE1 TYR A 50 -21.722 11.333 -12.420 1.00 33.21 H new ATOM 0 HE2 TYR A 50 -22.904 11.180 -16.515 1.00 15.33 H new ATOM 0 HH TYR A 50 -24.346 11.221 -14.842 1.00 53.22 H new ATOM 782 N PHE A 51 -15.497 12.272 -14.518 1.00 23.01 N ATOM 783 CA PHE A 51 -14.047 12.118 -14.494 1.00 62.32 C ATOM 784 C PHE A 51 -13.658 10.647 -14.376 1.00 33.22 C ATOM 785 O PHE A 51 -14.183 9.921 -13.531 1.00 12.30 O ATOM 786 CB PHE A 51 -13.447 12.911 -13.331 1.00 33.50 C ATOM 787 CG PHE A 51 -13.630 14.396 -13.461 1.00 23.33 C ATOM 788 CD1 PHE A 51 -14.890 14.963 -13.363 1.00 3.51 C ATOM 789 CD2 PHE A 51 -12.541 15.224 -13.681 1.00 40.01 C ATOM 790 CE1 PHE A 51 -15.061 16.330 -13.482 1.00 30.15 C ATOM 791 CE2 PHE A 51 -12.706 16.591 -13.800 1.00 51.01 C ATOM 792 CZ PHE A 51 -13.968 17.145 -13.701 1.00 63.44 C ATOM 0 H PHE A 51 -15.945 12.188 -13.606 1.00 23.01 H new ATOM 0 HA PHE A 51 -13.650 12.507 -15.432 1.00 62.32 H new ATOM 0 HB2 PHE A 51 -13.904 12.577 -12.400 1.00 33.50 H new ATOM 0 HB3 PHE A 51 -12.382 12.689 -13.261 1.00 33.50 H new ATOM 0 HD1 PHE A 51 -15.748 14.330 -13.192 1.00 3.51 H new ATOM 0 HD2 PHE A 51 -11.552 14.796 -13.760 1.00 40.01 H new ATOM 0 HE1 PHE A 51 -16.049 16.760 -13.404 1.00 30.15 H new ATOM 0 HE2 PHE A 51 -11.849 17.226 -13.970 1.00 51.01 H new ATOM 0 HZ PHE A 51 -14.099 18.213 -13.795 1.00 63.44 H new ATOM 802 N ARG A 52 -12.736 10.214 -15.229 1.00 3.21 N ATOM 803 CA ARG A 52 -12.278 8.830 -15.222 1.00 4.22 C ATOM 804 C ARG A 52 -10.754 8.762 -15.173 1.00 30.04 C ATOM 805 O ARG A 52 -10.067 9.516 -15.862 1.00 63.23 O ATOM 806 CB ARG A 52 -12.792 8.094 -16.460 1.00 40.03 C ATOM 807 CG ARG A 52 -14.182 7.504 -16.285 1.00 24.23 C ATOM 808 CD ARG A 52 -15.259 8.464 -16.763 1.00 13.43 C ATOM 809 NE ARG A 52 -16.602 7.967 -16.475 1.00 51.42 N ATOM 810 CZ ARG A 52 -17.167 8.028 -15.274 1.00 43.13 C ATOM 811 NH1 ARG A 52 -16.508 8.562 -14.255 1.00 33.12 N ATOM 812 NH2 ARG A 52 -18.393 7.554 -15.092 1.00 3.55 N ATOM 0 H ARG A 52 -12.291 10.802 -15.934 1.00 3.21 H new ATOM 0 HA ARG A 52 -12.675 8.347 -14.329 1.00 4.22 H new ATOM 0 HB2 ARG A 52 -12.803 8.784 -17.304 1.00 40.03 H new ATOM 0 HB3 ARG A 52 -12.096 7.294 -16.712 1.00 40.03 H new ATOM 0 HG2 ARG A 52 -14.254 6.569 -16.841 1.00 24.23 H new ATOM 0 HG3 ARG A 52 -14.347 7.264 -15.235 1.00 24.23 H new ATOM 0 HD2 ARG A 52 -15.120 9.433 -16.283 1.00 13.43 H new ATOM 0 HD3 ARG A 52 -15.153 8.622 -17.836 1.00 13.43 H new ATOM 0 HE ARG A 52 -17.135 7.550 -17.238 1.00 51.42 H new ATOM 0 HH11 ARG A 52 -15.565 8.927 -14.392 1.00 33.12 H new ATOM 0 HH12 ARG A 52 -16.944 8.608 -13.334 1.00 33.12 H new ATOM 0 HH21 ARG A 52 -18.902 7.143 -15.874 1.00 3.55 H new ATOM 0 HH22 ARG A 52 -18.826 7.601 -14.170 1.00 3.55 H new ATOM 826 N ILE A 53 -10.234 7.855 -14.353 1.00 22.30 N ATOM 827 CA ILE A 53 -8.792 7.688 -14.215 1.00 14.34 C ATOM 828 C ILE A 53 -8.371 6.258 -14.532 1.00 72.43 C ATOM 829 O ILE A 53 -9.015 5.299 -14.103 1.00 52.23 O ATOM 830 CB ILE A 53 -8.318 8.048 -12.794 1.00 70.41 C ATOM 831 CG1 ILE A 53 -8.376 6.817 -11.887 1.00 21.11 C ATOM 832 CG2 ILE A 53 -9.165 9.174 -12.222 1.00 11.40 C ATOM 833 CD1 ILE A 53 -7.102 6.001 -11.894 1.00 33.32 C ATOM 0 H ILE A 53 -10.789 7.225 -13.774 1.00 22.30 H new ATOM 0 HA ILE A 53 -8.326 8.367 -14.928 1.00 14.34 H new ATOM 0 HB ILE A 53 -7.284 8.389 -12.847 1.00 70.41 H new ATOM 0 HG12 ILE A 53 -8.587 7.137 -10.867 1.00 21.11 H new ATOM 0 HG13 ILE A 53 -9.206 6.183 -12.201 1.00 21.11 H new ATOM 0 HG21 ILE A 53 -8.818 9.417 -11.218 1.00 11.40 H new ATOM 0 HG22 ILE A 53 -9.078 10.054 -12.859 1.00 11.40 H new ATOM 0 HG23 ILE A 53 -10.208 8.859 -12.179 1.00 11.40 H new ATOM 0 HD11 ILE A 53 -7.215 5.145 -11.229 1.00 33.32 H new ATOM 0 HD12 ILE A 53 -6.900 5.651 -12.906 1.00 33.32 H new ATOM 0 HD13 ILE A 53 -6.272 6.619 -11.552 1.00 33.32 H new ATOM 845 N LEU A 54 -7.285 6.120 -15.285 1.00 74.12 N ATOM 846 CA LEU A 54 -6.776 4.805 -15.660 1.00 3.34 C ATOM 847 C LEU A 54 -5.389 4.571 -15.070 1.00 24.01 C ATOM 848 O LEU A 54 -4.456 5.331 -15.329 1.00 43.52 O ATOM 849 CB LEU A 54 -6.724 4.671 -17.183 1.00 12.25 C ATOM 850 CG LEU A 54 -6.909 3.259 -17.739 1.00 31.14 C ATOM 851 CD1 LEU A 54 -6.499 3.204 -19.202 1.00 73.41 C ATOM 852 CD2 LEU A 54 -6.110 2.255 -16.921 1.00 21.22 C ATOM 0 H LEU A 54 -6.740 6.902 -15.648 1.00 74.12 H new ATOM 0 HA LEU A 54 -7.454 4.052 -15.259 1.00 3.34 H new ATOM 0 HB2 LEU A 54 -7.495 5.312 -17.611 1.00 12.25 H new ATOM 0 HB3 LEU A 54 -5.764 5.053 -17.529 1.00 12.25 H new ATOM 0 HG LEU A 54 -7.965 2.997 -17.669 1.00 31.14 H new ATOM 0 HD11 LEU A 54 -6.637 2.191 -19.581 1.00 73.41 H new ATOM 0 HD12 LEU A 54 -7.115 3.894 -19.779 1.00 73.41 H new ATOM 0 HD13 LEU A 54 -5.451 3.487 -19.297 1.00 73.41 H new ATOM 0 HD21 LEU A 54 -6.254 1.255 -17.331 1.00 21.22 H new ATOM 0 HD22 LEU A 54 -5.052 2.514 -16.959 1.00 21.22 H new ATOM 0 HD23 LEU A 54 -6.451 2.275 -15.886 1.00 21.22 H new ATOM 864 N PHE A 55 -5.260 3.512 -14.277 1.00 45.31 N ATOM 865 CA PHE A 55 -3.986 3.177 -13.651 1.00 62.44 C ATOM 866 C PHE A 55 -3.590 1.736 -13.963 1.00 3.30 C ATOM 867 O PHE A 55 -4.318 0.798 -13.639 1.00 43.34 O ATOM 868 CB PHE A 55 -4.069 3.378 -12.137 1.00 5.41 C ATOM 869 CG PHE A 55 -2.944 2.727 -11.383 1.00 53.31 C ATOM 870 CD1 PHE A 55 -1.663 2.703 -11.909 1.00 44.10 C ATOM 871 CD2 PHE A 55 -3.169 2.140 -10.149 1.00 0.05 C ATOM 872 CE1 PHE A 55 -0.627 2.104 -11.218 1.00 24.12 C ATOM 873 CE2 PHE A 55 -2.137 1.540 -9.452 1.00 63.44 C ATOM 874 CZ PHE A 55 -0.864 1.523 -9.987 1.00 63.44 C ATOM 0 H PHE A 55 -6.022 2.872 -14.053 1.00 45.31 H new ATOM 0 HA PHE A 55 -3.224 3.842 -14.057 1.00 62.44 H new ATOM 0 HB2 PHE A 55 -4.071 4.446 -11.920 1.00 5.41 H new ATOM 0 HB3 PHE A 55 -5.017 2.978 -11.777 1.00 5.41 H new ATOM 0 HD1 PHE A 55 -1.472 3.157 -12.870 1.00 44.10 H new ATOM 0 HD2 PHE A 55 -4.163 2.151 -9.726 1.00 0.05 H new ATOM 0 HE1 PHE A 55 0.367 2.090 -11.640 1.00 24.12 H new ATOM 0 HE2 PHE A 55 -2.326 1.085 -8.491 1.00 63.44 H new ATOM 0 HZ PHE A 55 -0.055 1.056 -9.444 1.00 63.44 H new ATOM 884 N GLN A 56 -2.432 1.571 -14.594 1.00 24.33 N ATOM 885 CA GLN A 56 -1.939 0.245 -14.950 1.00 53.44 C ATOM 886 C GLN A 56 -0.481 0.077 -14.538 1.00 4.41 C ATOM 887 O GLN A 56 0.272 1.049 -14.472 1.00 50.23 O ATOM 888 CB GLN A 56 -2.086 0.011 -16.455 1.00 14.32 C ATOM 889 CG GLN A 56 -3.423 0.472 -17.014 1.00 61.52 C ATOM 890 CD GLN A 56 -3.284 1.641 -17.968 1.00 55.44 C ATOM 891 OE1 GLN A 56 -2.950 2.754 -17.560 1.00 52.04 O ATOM 892 NE2 GLN A 56 -3.541 1.396 -19.248 1.00 33.31 N ATOM 0 H GLN A 56 -1.818 2.338 -14.869 1.00 24.33 H new ATOM 0 HA GLN A 56 -2.536 -0.493 -14.414 1.00 53.44 H new ATOM 0 HB2 GLN A 56 -1.284 0.534 -16.976 1.00 14.32 H new ATOM 0 HB3 GLN A 56 -1.961 -1.052 -16.663 1.00 14.32 H new ATOM 0 HG2 GLN A 56 -3.902 -0.359 -17.531 1.00 61.52 H new ATOM 0 HG3 GLN A 56 -4.078 0.756 -16.191 1.00 61.52 H new ATOM 0 HE21 GLN A 56 -3.815 0.459 -19.543 1.00 33.31 H new ATOM 0 HE22 GLN A 56 -3.465 2.145 -19.936 1.00 33.31 H new ATOM 901 N SER A 57 -0.088 -1.162 -14.261 1.00 11.14 N ATOM 902 CA SER A 57 1.280 -1.457 -13.850 1.00 53.23 C ATOM 903 C SER A 57 2.242 -1.318 -15.026 1.00 74.04 C ATOM 904 O SER A 57 1.835 -0.990 -16.141 1.00 71.44 O ATOM 905 CB SER A 57 1.367 -2.869 -13.269 1.00 61.32 C ATOM 906 OG SER A 57 2.624 -3.091 -12.654 1.00 2.23 O ATOM 0 H SER A 57 -0.698 -1.978 -14.314 1.00 11.14 H new ATOM 0 HA SER A 57 1.566 -0.738 -13.082 1.00 53.23 H new ATOM 0 HB2 SER A 57 0.571 -3.015 -12.539 1.00 61.32 H new ATOM 0 HB3 SER A 57 1.212 -3.602 -14.061 1.00 61.32 H new ATOM 0 HG SER A 57 2.654 -4.000 -12.289 1.00 2.23 H new ATOM 912 N LYS A 58 3.521 -1.570 -14.769 1.00 54.23 N ATOM 913 CA LYS A 58 4.543 -1.475 -15.805 1.00 33.02 C ATOM 914 C LYS A 58 4.448 -2.650 -16.772 1.00 75.35 C ATOM 915 O LYS A 58 4.370 -2.463 -17.987 1.00 20.40 O ATOM 916 CB LYS A 58 5.936 -1.433 -15.173 1.00 11.32 C ATOM 917 CG LYS A 58 6.970 -0.718 -16.026 1.00 75.42 C ATOM 918 CD LYS A 58 7.606 -1.659 -17.036 1.00 34.33 C ATOM 919 CE LYS A 58 8.781 -2.413 -16.432 1.00 11.31 C ATOM 920 NZ LYS A 58 9.459 -3.279 -17.436 1.00 10.04 N ATOM 0 H LYS A 58 3.875 -1.842 -13.852 1.00 54.23 H new ATOM 0 HA LYS A 58 4.375 -0.554 -16.363 1.00 33.02 H new ATOM 0 HB2 LYS A 58 5.871 -0.938 -14.204 1.00 11.32 H new ATOM 0 HB3 LYS A 58 6.273 -2.453 -14.988 1.00 11.32 H new ATOM 0 HG2 LYS A 58 6.499 0.114 -16.549 1.00 75.42 H new ATOM 0 HG3 LYS A 58 7.743 -0.295 -15.384 1.00 75.42 H new ATOM 0 HD2 LYS A 58 6.860 -2.370 -17.392 1.00 34.33 H new ATOM 0 HD3 LYS A 58 7.944 -1.090 -17.902 1.00 34.33 H new ATOM 0 HE2 LYS A 58 9.498 -1.701 -16.023 1.00 11.31 H new ATOM 0 HE3 LYS A 58 8.431 -3.026 -15.601 1.00 11.31 H new ATOM 0 HZ1 LYS A 58 9.645 -4.213 -17.019 1.00 10.04 H new ATOM 0 HZ2 LYS A 58 8.847 -3.388 -18.270 1.00 10.04 H new ATOM 0 HZ3 LYS A 58 10.358 -2.842 -17.721 1.00 10.04 H new ATOM 934 N LYS A 59 4.452 -3.862 -16.227 1.00 4.20 N ATOM 935 CA LYS A 59 4.364 -5.068 -17.041 1.00 33.30 C ATOM 936 C LYS A 59 2.917 -5.534 -17.167 1.00 72.50 C ATOM 937 O LYS A 59 2.531 -6.128 -18.175 1.00 32.42 O ATOM 938 CB LYS A 59 5.219 -6.183 -16.433 1.00 15.51 C ATOM 939 CG LYS A 59 6.685 -5.814 -16.289 1.00 61.43 C ATOM 940 CD LYS A 59 7.515 -6.373 -17.433 1.00 72.21 C ATOM 941 CE LYS A 59 7.204 -5.667 -18.744 1.00 30.20 C ATOM 942 NZ LYS A 59 8.279 -5.874 -19.754 1.00 34.31 N ATOM 0 H LYS A 59 4.515 -4.035 -15.224 1.00 4.20 H new ATOM 0 HA LYS A 59 4.740 -4.833 -18.037 1.00 33.30 H new ATOM 0 HB2 LYS A 59 4.820 -6.442 -15.452 1.00 15.51 H new ATOM 0 HB3 LYS A 59 5.136 -7.074 -17.056 1.00 15.51 H new ATOM 0 HG2 LYS A 59 6.787 -4.729 -16.260 1.00 61.43 H new ATOM 0 HG3 LYS A 59 7.066 -6.195 -15.342 1.00 61.43 H new ATOM 0 HD2 LYS A 59 8.575 -6.264 -17.202 1.00 72.21 H new ATOM 0 HD3 LYS A 59 7.320 -7.440 -17.538 1.00 72.21 H new ATOM 0 HE2 LYS A 59 6.258 -6.036 -19.140 1.00 30.20 H new ATOM 0 HE3 LYS A 59 7.078 -4.600 -18.561 1.00 30.20 H new ATOM 0 HZ1 LYS A 59 8.030 -5.377 -20.633 1.00 34.31 H new ATOM 0 HZ2 LYS A 59 9.177 -5.499 -19.387 1.00 34.31 H new ATOM 0 HZ3 LYS A 59 8.382 -6.891 -19.948 1.00 34.31 H new ATOM 956 N LEU A 60 2.120 -5.261 -16.140 1.00 4.23 N ATOM 957 CA LEU A 60 0.715 -5.651 -16.136 1.00 53.03 C ATOM 958 C LEU A 60 0.517 -6.980 -16.858 1.00 73.01 C ATOM 959 O LEU A 60 -0.400 -7.128 -17.666 1.00 63.25 O ATOM 960 CB LEU A 60 -0.138 -4.566 -16.798 1.00 24.44 C ATOM 961 CG LEU A 60 0.424 -3.964 -18.086 1.00 1.01 C ATOM 962 CD1 LEU A 60 0.050 -4.823 -19.284 1.00 41.41 C ATOM 963 CD2 LEU A 60 -0.077 -2.539 -18.271 1.00 73.22 C ATOM 0 H LEU A 60 2.423 -4.771 -15.299 1.00 4.23 H new ATOM 0 HA LEU A 60 0.400 -5.771 -15.100 1.00 53.03 H new ATOM 0 HB2 LEU A 60 -1.120 -4.986 -17.015 1.00 24.44 H new ATOM 0 HB3 LEU A 60 -0.288 -3.760 -16.079 1.00 24.44 H new ATOM 0 HG LEU A 60 1.511 -3.938 -18.009 1.00 1.01 H new ATOM 0 HD11 LEU A 60 0.459 -4.379 -20.192 1.00 41.41 H new ATOM 0 HD12 LEU A 60 0.458 -5.825 -19.155 1.00 41.41 H new ATOM 0 HD13 LEU A 60 -1.035 -4.881 -19.365 1.00 41.41 H new ATOM 0 HD21 LEU A 60 0.333 -2.126 -19.193 1.00 73.22 H new ATOM 0 HD22 LEU A 60 -1.166 -2.540 -18.327 1.00 73.22 H new ATOM 0 HD23 LEU A 60 0.242 -1.929 -17.426 1.00 73.22 H new ATOM 975 N SER A 61 1.381 -7.945 -16.559 1.00 12.42 N ATOM 976 CA SER A 61 1.302 -9.261 -17.180 1.00 70.43 C ATOM 977 C SER A 61 0.357 -10.173 -16.404 1.00 31.05 C ATOM 978 O SER A 61 0.143 -9.986 -15.206 1.00 74.33 O ATOM 979 CB SER A 61 2.692 -9.896 -17.258 1.00 71.01 C ATOM 980 OG SER A 61 2.672 -11.071 -18.050 1.00 24.00 O ATOM 0 H SER A 61 2.144 -7.840 -15.890 1.00 12.42 H new ATOM 0 HA SER A 61 0.910 -9.136 -18.189 1.00 70.43 H new ATOM 0 HB2 SER A 61 3.399 -9.181 -17.680 1.00 71.01 H new ATOM 0 HB3 SER A 61 3.042 -10.136 -16.254 1.00 71.01 H new ATOM 0 HG SER A 61 3.572 -11.457 -18.086 1.00 24.00 H new ATOM 986 N GLU A 62 -0.205 -11.160 -17.095 1.00 11.40 N ATOM 987 CA GLU A 62 -1.128 -12.100 -16.470 1.00 70.04 C ATOM 988 C GLU A 62 -0.518 -12.704 -15.208 1.00 54.25 C ATOM 989 O GLU A 62 -1.231 -13.051 -14.266 1.00 32.03 O ATOM 990 CB GLU A 62 -1.500 -13.213 -17.453 1.00 10.51 C ATOM 991 CG GLU A 62 -2.323 -12.730 -18.636 1.00 20.05 C ATOM 992 CD GLU A 62 -2.813 -13.869 -19.508 1.00 53.15 C ATOM 993 OE1 GLU A 62 -3.657 -14.658 -19.036 1.00 74.40 O ATOM 994 OE2 GLU A 62 -2.352 -13.970 -20.665 1.00 13.01 O ATOM 0 H GLU A 62 -0.037 -11.329 -18.087 1.00 11.40 H new ATOM 0 HA GLU A 62 -2.029 -11.554 -16.192 1.00 70.04 H new ATOM 0 HB2 GLU A 62 -0.587 -13.680 -17.823 1.00 10.51 H new ATOM 0 HB3 GLU A 62 -2.060 -13.983 -16.922 1.00 10.51 H new ATOM 0 HG2 GLU A 62 -3.179 -12.162 -18.271 1.00 20.05 H new ATOM 0 HG3 GLU A 62 -1.722 -12.049 -19.238 1.00 20.05 H new ATOM 1001 N LEU A 63 0.804 -12.826 -15.198 1.00 63.50 N ATOM 1002 CA LEU A 63 1.511 -13.389 -14.053 1.00 5.33 C ATOM 1003 C LEU A 63 1.101 -12.688 -12.762 1.00 4.54 C ATOM 1004 O LEU A 63 0.509 -11.608 -12.790 1.00 62.21 O ATOM 1005 CB LEU A 63 3.023 -13.270 -14.253 1.00 43.41 C ATOM 1006 CG LEU A 63 3.571 -13.817 -15.571 1.00 72.55 C ATOM 1007 CD1 LEU A 63 5.080 -13.646 -15.635 1.00 45.41 C ATOM 1008 CD2 LEU A 63 3.191 -15.282 -15.739 1.00 43.42 C ATOM 0 H LEU A 63 1.408 -12.543 -15.969 1.00 63.50 H new ATOM 0 HA LEU A 63 1.243 -14.443 -13.974 1.00 5.33 H new ATOM 0 HB2 LEU A 63 3.298 -12.218 -14.177 1.00 43.41 H new ATOM 0 HB3 LEU A 63 3.520 -13.789 -13.433 1.00 43.41 H new ATOM 0 HG LEU A 63 3.127 -13.250 -16.389 1.00 72.55 H new ATOM 0 HD11 LEU A 63 5.451 -14.041 -16.581 1.00 45.41 H new ATOM 0 HD12 LEU A 63 5.330 -12.588 -15.561 1.00 45.41 H new ATOM 0 HD13 LEU A 63 5.543 -14.186 -14.809 1.00 45.41 H new ATOM 0 HD21 LEU A 63 3.589 -15.655 -16.683 1.00 43.42 H new ATOM 0 HD22 LEU A 63 3.606 -15.862 -14.915 1.00 43.42 H new ATOM 0 HD23 LEU A 63 2.105 -15.378 -15.740 1.00 43.42 H new ATOM 1020 N HIS A 64 1.422 -13.307 -11.630 1.00 60.11 N ATOM 1021 CA HIS A 64 1.089 -12.741 -10.328 1.00 4.23 C ATOM 1022 C HIS A 64 -0.423 -12.651 -10.145 1.00 4.15 C ATOM 1023 O HIS A 64 -1.002 -11.566 -10.089 1.00 32.11 O ATOM 1024 CB HIS A 64 1.717 -11.355 -10.175 1.00 54.24 C ATOM 1025 CG HIS A 64 3.164 -11.307 -10.556 1.00 24.42 C ATOM 1026 ND1 HIS A 64 3.602 -10.922 -11.805 1.00 40.33 N ATOM 1027 CD2 HIS A 64 4.277 -11.598 -9.842 1.00 62.43 C ATOM 1028 CE1 HIS A 64 4.921 -10.979 -11.844 1.00 63.24 C ATOM 1029 NE2 HIS A 64 5.356 -11.387 -10.666 1.00 13.35 N ATOM 0 H HIS A 64 1.912 -14.200 -11.588 1.00 60.11 H new ATOM 0 HA HIS A 64 1.491 -13.401 -9.559 1.00 4.23 H new ATOM 0 HB2 HIS A 64 1.164 -10.645 -10.790 1.00 54.24 H new ATOM 0 HB3 HIS A 64 1.611 -11.030 -9.140 1.00 54.24 H new ATOM 0 HD2 HIS A 64 4.310 -11.933 -8.816 1.00 62.43 H new ATOM 0 HE1 HIS A 64 5.539 -10.734 -12.695 1.00 63.24 H new ATOM 0 HE2 HIS A 64 6.334 -11.523 -10.409 1.00 13.35 H new ATOM 1037 N PRO A 65 -1.078 -13.817 -10.049 1.00 72.32 N ATOM 1038 CA PRO A 65 -2.531 -13.896 -9.871 1.00 71.53 C ATOM 1039 C PRO A 65 -2.973 -13.423 -8.491 1.00 23.24 C ATOM 1040 O PRO A 65 -3.968 -12.712 -8.358 1.00 2.21 O ATOM 1041 CB PRO A 65 -2.829 -15.388 -10.046 1.00 50.30 C ATOM 1042 CG PRO A 65 -1.558 -16.073 -9.681 1.00 63.31 C ATOM 1043 CD PRO A 65 -0.451 -15.148 -10.107 1.00 74.53 C ATOM 0 HA PRO A 65 -3.063 -13.255 -10.574 1.00 71.53 H new ATOM 0 HB2 PRO A 65 -3.649 -15.706 -9.402 1.00 50.30 H new ATOM 0 HB3 PRO A 65 -3.121 -15.616 -11.071 1.00 50.30 H new ATOM 0 HG2 PRO A 65 -1.513 -16.267 -8.609 1.00 63.31 H new ATOM 0 HG3 PRO A 65 -1.476 -17.037 -10.183 1.00 63.31 H new ATOM 0 HD2 PRO A 65 0.409 -15.217 -9.441 1.00 74.53 H new ATOM 0 HD3 PRO A 65 -0.096 -15.382 -11.111 1.00 74.53 H new ATOM 1051 N GLU A 66 -2.226 -13.823 -7.466 1.00 44.31 N ATOM 1052 CA GLU A 66 -2.542 -13.439 -6.095 1.00 41.34 C ATOM 1053 C GLU A 66 -2.355 -11.938 -5.894 1.00 53.42 C ATOM 1054 O GLU A 66 -3.012 -11.328 -5.051 1.00 31.22 O ATOM 1055 CB GLU A 66 -1.661 -14.210 -5.110 1.00 51.20 C ATOM 1056 CG GLU A 66 -2.439 -15.153 -4.208 1.00 0.24 C ATOM 1057 CD GLU A 66 -3.292 -16.135 -4.987 1.00 12.32 C ATOM 1058 OE1 GLU A 66 -2.725 -17.080 -5.572 1.00 64.35 O ATOM 1059 OE2 GLU A 66 -4.528 -15.957 -5.010 1.00 72.15 O ATOM 0 H GLU A 66 -1.399 -14.412 -7.559 1.00 44.31 H new ATOM 0 HA GLU A 66 -3.587 -13.686 -5.907 1.00 41.34 H new ATOM 0 HB2 GLU A 66 -0.921 -14.783 -5.669 1.00 51.20 H new ATOM 0 HB3 GLU A 66 -1.113 -13.499 -4.492 1.00 51.20 H new ATOM 0 HG2 GLU A 66 -1.742 -15.704 -3.577 1.00 0.24 H new ATOM 0 HG3 GLU A 66 -3.077 -14.570 -3.544 1.00 0.24 H new ATOM 1066 N GLU A 67 -1.455 -11.349 -6.675 1.00 64.10 N ATOM 1067 CA GLU A 67 -1.181 -9.920 -6.581 1.00 44.04 C ATOM 1068 C GLU A 67 -2.388 -9.104 -7.034 1.00 42.23 C ATOM 1069 O GLU A 67 -2.638 -8.011 -6.526 1.00 5.23 O ATOM 1070 CB GLU A 67 0.041 -9.556 -7.427 1.00 44.11 C ATOM 1071 CG GLU A 67 1.363 -9.947 -6.787 1.00 71.13 C ATOM 1072 CD GLU A 67 2.524 -9.109 -7.286 1.00 54.53 C ATOM 1073 OE1 GLU A 67 2.391 -7.867 -7.307 1.00 45.25 O ATOM 1074 OE2 GLU A 67 3.563 -9.693 -7.656 1.00 21.33 O ATOM 0 H GLU A 67 -0.904 -11.839 -7.379 1.00 64.10 H new ATOM 0 HA GLU A 67 -0.975 -9.683 -5.537 1.00 44.04 H new ATOM 0 HB2 GLU A 67 -0.041 -10.044 -8.398 1.00 44.11 H new ATOM 0 HB3 GLU A 67 0.039 -8.481 -7.609 1.00 44.11 H new ATOM 0 HG2 GLU A 67 1.283 -9.843 -5.705 1.00 71.13 H new ATOM 0 HG3 GLU A 67 1.564 -10.998 -6.992 1.00 71.13 H new ATOM 1081 N ARG A 68 -3.133 -9.643 -7.994 1.00 45.41 N ATOM 1082 CA ARG A 68 -4.312 -8.964 -8.517 1.00 72.44 C ATOM 1083 C ARG A 68 -5.297 -8.645 -7.397 1.00 13.31 C ATOM 1084 O ARG A 68 -5.710 -7.497 -7.227 1.00 34.41 O ATOM 1085 CB ARG A 68 -4.994 -9.829 -9.580 1.00 14.44 C ATOM 1086 CG ARG A 68 -4.342 -9.738 -10.949 1.00 61.24 C ATOM 1087 CD ARG A 68 -4.832 -10.841 -11.874 1.00 33.51 C ATOM 1088 NE ARG A 68 -6.289 -10.947 -11.876 1.00 21.14 N ATOM 1089 CZ ARG A 68 -6.950 -11.980 -12.386 1.00 52.33 C ATOM 1090 NH1 ARG A 68 -6.288 -12.990 -12.933 1.00 75.12 N ATOM 1091 NH2 ARG A 68 -8.276 -12.003 -12.350 1.00 74.21 N ATOM 0 H ARG A 68 -2.941 -10.547 -8.425 1.00 45.41 H new ATOM 0 HA ARG A 68 -3.990 -8.027 -8.972 1.00 72.44 H new ATOM 0 HB2 ARG A 68 -4.985 -10.868 -9.251 1.00 14.44 H new ATOM 0 HB3 ARG A 68 -6.039 -9.530 -9.664 1.00 14.44 H new ATOM 0 HG2 ARG A 68 -4.559 -8.766 -11.393 1.00 61.24 H new ATOM 0 HG3 ARG A 68 -3.259 -9.805 -10.843 1.00 61.24 H new ATOM 0 HD2 ARG A 68 -4.481 -10.646 -12.888 1.00 33.51 H new ATOM 0 HD3 ARG A 68 -4.400 -11.792 -11.564 1.00 33.51 H new ATOM 0 HE ARG A 68 -6.828 -10.186 -11.463 1.00 21.14 H new ATOM 0 HH11 ARG A 68 -5.269 -12.975 -12.963 1.00 75.12 H new ATOM 0 HH12 ARG A 68 -6.798 -13.782 -13.324 1.00 75.12 H new ATOM 0 HH21 ARG A 68 -8.788 -11.227 -11.931 1.00 74.21 H new ATOM 0 HH22 ARG A 68 -8.783 -12.797 -12.742 1.00 74.21 H new ATOM 1105 N LYS A 69 -5.671 -9.667 -6.635 1.00 23.12 N ATOM 1106 CA LYS A 69 -6.607 -9.497 -5.530 1.00 5.32 C ATOM 1107 C LYS A 69 -6.000 -8.628 -4.432 1.00 53.35 C ATOM 1108 O LYS A 69 -6.695 -7.829 -3.804 1.00 21.04 O ATOM 1109 CB LYS A 69 -7.003 -10.859 -4.956 1.00 12.33 C ATOM 1110 CG LYS A 69 -5.818 -11.709 -4.532 1.00 41.30 C ATOM 1111 CD LYS A 69 -6.267 -13.003 -3.874 1.00 5.43 C ATOM 1112 CE LYS A 69 -6.823 -12.755 -2.480 1.00 30.10 C ATOM 1113 NZ LYS A 69 -7.088 -14.028 -1.754 1.00 64.22 N ATOM 0 H LYS A 69 -5.340 -10.623 -6.763 1.00 23.12 H new ATOM 0 HA LYS A 69 -7.497 -8.999 -5.914 1.00 5.32 H new ATOM 0 HB2 LYS A 69 -7.655 -10.706 -4.096 1.00 12.33 H new ATOM 0 HB3 LYS A 69 -7.582 -11.404 -5.702 1.00 12.33 H new ATOM 0 HG2 LYS A 69 -5.203 -11.937 -5.402 1.00 41.30 H new ATOM 0 HG3 LYS A 69 -5.194 -11.145 -3.839 1.00 41.30 H new ATOM 0 HD2 LYS A 69 -7.028 -13.481 -4.491 1.00 5.43 H new ATOM 0 HD3 LYS A 69 -5.425 -13.693 -3.814 1.00 5.43 H new ATOM 0 HE2 LYS A 69 -6.117 -12.152 -1.909 1.00 30.10 H new ATOM 0 HE3 LYS A 69 -7.746 -12.180 -2.554 1.00 30.10 H new ATOM 0 HZ1 LYS A 69 -7.466 -13.816 -0.809 1.00 64.22 H new ATOM 0 HZ2 LYS A 69 -7.781 -14.593 -2.285 1.00 64.22 H new ATOM 0 HZ3 LYS A 69 -6.202 -14.565 -1.660 1.00 64.22 H new ATOM 1127 N LYS A 70 -4.700 -8.787 -4.208 1.00 74.31 N ATOM 1128 CA LYS A 70 -3.999 -8.016 -3.189 1.00 11.21 C ATOM 1129 C LYS A 70 -4.180 -6.519 -3.419 1.00 12.20 C ATOM 1130 O LYS A 70 -4.610 -5.790 -2.524 1.00 64.52 O ATOM 1131 CB LYS A 70 -2.509 -8.366 -3.190 1.00 33.11 C ATOM 1132 CG LYS A 70 -1.746 -7.782 -2.013 1.00 74.34 C ATOM 1133 CD LYS A 70 -0.604 -8.688 -1.585 1.00 42.22 C ATOM 1134 CE LYS A 70 -1.083 -9.785 -0.647 1.00 14.41 C ATOM 1135 NZ LYS A 70 -0.234 -11.004 -0.740 1.00 32.43 N ATOM 0 H LYS A 70 -4.110 -9.444 -4.719 1.00 74.31 H new ATOM 0 HA LYS A 70 -4.425 -8.271 -2.219 1.00 11.21 H new ATOM 0 HB2 LYS A 70 -2.399 -9.450 -3.181 1.00 33.11 H new ATOM 0 HB3 LYS A 70 -2.061 -8.008 -4.117 1.00 33.11 H new ATOM 0 HG2 LYS A 70 -1.353 -6.802 -2.283 1.00 74.34 H new ATOM 0 HG3 LYS A 70 -2.427 -7.632 -1.175 1.00 74.34 H new ATOM 0 HD2 LYS A 70 -0.144 -9.136 -2.466 1.00 42.22 H new ATOM 0 HD3 LYS A 70 0.166 -8.096 -1.090 1.00 42.22 H new ATOM 0 HE2 LYS A 70 -1.076 -9.415 0.378 1.00 14.41 H new ATOM 0 HE3 LYS A 70 -2.115 -10.042 -0.886 1.00 14.41 H new ATOM 0 HZ1 LYS A 70 -0.593 -11.728 -0.086 1.00 32.43 H new ATOM 0 HZ2 LYS A 70 -0.261 -11.372 -1.712 1.00 32.43 H new ATOM 0 HZ3 LYS A 70 0.746 -10.765 -0.487 1.00 32.43 H new ATOM 1149 N VAL A 71 -3.851 -6.066 -4.625 1.00 14.13 N ATOM 1150 CA VAL A 71 -3.980 -4.656 -4.973 1.00 74.12 C ATOM 1151 C VAL A 71 -5.445 -4.242 -5.054 1.00 53.21 C ATOM 1152 O VAL A 71 -5.802 -3.114 -4.711 1.00 60.43 O ATOM 1153 CB VAL A 71 -3.295 -4.345 -6.317 1.00 73.12 C ATOM 1154 CG1 VAL A 71 -1.802 -4.621 -6.232 1.00 21.10 C ATOM 1155 CG2 VAL A 71 -3.932 -5.152 -7.438 1.00 61.35 C ATOM 0 H VAL A 71 -3.493 -6.655 -5.377 1.00 14.13 H new ATOM 0 HA VAL A 71 -3.488 -4.088 -4.183 1.00 74.12 H new ATOM 0 HB VAL A 71 -3.432 -3.287 -6.539 1.00 73.12 H new ATOM 0 HG11 VAL A 71 -1.335 -4.396 -7.191 1.00 21.10 H new ATOM 0 HG12 VAL A 71 -1.360 -3.995 -5.457 1.00 21.10 H new ATOM 0 HG13 VAL A 71 -1.639 -5.671 -5.987 1.00 21.10 H new ATOM 0 HG21 VAL A 71 -3.436 -4.920 -8.380 1.00 61.35 H new ATOM 0 HG22 VAL A 71 -3.828 -6.216 -7.225 1.00 61.35 H new ATOM 0 HG23 VAL A 71 -4.990 -4.899 -7.513 1.00 61.35 H new ATOM 1165 N ARG A 72 -6.290 -5.161 -5.509 1.00 72.13 N ATOM 1166 CA ARG A 72 -7.717 -4.891 -5.636 1.00 73.20 C ATOM 1167 C ARG A 72 -8.301 -4.416 -4.309 1.00 3.24 C ATOM 1168 O ARG A 72 -8.958 -3.377 -4.246 1.00 24.35 O ATOM 1169 CB ARG A 72 -8.455 -6.145 -6.110 1.00 10.13 C ATOM 1170 CG ARG A 72 -9.300 -5.921 -7.353 1.00 63.24 C ATOM 1171 CD ARG A 72 -8.665 -6.558 -8.580 1.00 21.02 C ATOM 1172 NE ARG A 72 -9.228 -6.035 -9.822 1.00 35.34 N ATOM 1173 CZ ARG A 72 -8.925 -6.512 -11.024 1.00 13.40 C ATOM 1174 NH1 ARG A 72 -8.069 -7.516 -11.146 1.00 62.30 N ATOM 1175 NH2 ARG A 72 -9.480 -5.983 -12.107 1.00 43.04 N ATOM 0 H ARG A 72 -6.011 -6.099 -5.796 1.00 72.13 H new ATOM 0 HA ARG A 72 -7.847 -4.100 -6.374 1.00 73.20 H new ATOM 0 HB2 ARG A 72 -7.727 -6.930 -6.313 1.00 10.13 H new ATOM 0 HB3 ARG A 72 -9.096 -6.505 -5.305 1.00 10.13 H new ATOM 0 HG2 ARG A 72 -10.295 -6.339 -7.198 1.00 63.24 H new ATOM 0 HG3 ARG A 72 -9.426 -4.851 -7.521 1.00 63.24 H new ATOM 0 HD2 ARG A 72 -7.590 -6.379 -8.566 1.00 21.02 H new ATOM 0 HD3 ARG A 72 -8.809 -7.638 -8.543 1.00 21.02 H new ATOM 0 HE ARG A 72 -9.890 -5.261 -9.763 1.00 35.34 H new ATOM 0 HH11 ARG A 72 -7.641 -7.925 -10.315 1.00 62.30 H new ATOM 0 HH12 ARG A 72 -7.838 -7.880 -12.070 1.00 62.30 H new ATOM 0 HH21 ARG A 72 -10.139 -5.210 -12.016 1.00 43.04 H new ATOM 0 HH22 ARG A 72 -9.247 -6.349 -13.030 1.00 43.04 H new ATOM 1189 N GLU A 73 -8.056 -5.184 -3.251 1.00 41.35 N ATOM 1190 CA GLU A 73 -8.558 -4.841 -1.926 1.00 55.13 C ATOM 1191 C GLU A 73 -7.817 -3.634 -1.359 1.00 11.13 C ATOM 1192 O GLU A 73 -8.424 -2.736 -0.775 1.00 11.12 O ATOM 1193 CB GLU A 73 -8.415 -6.033 -0.978 1.00 75.20 C ATOM 1194 CG GLU A 73 -6.985 -6.521 -0.825 1.00 4.11 C ATOM 1195 CD GLU A 73 -6.886 -7.789 0.001 1.00 64.15 C ATOM 1196 OE1 GLU A 73 -7.471 -8.812 -0.412 1.00 74.03 O ATOM 1197 OE2 GLU A 73 -6.223 -7.759 1.059 1.00 54.24 O ATOM 0 H GLU A 73 -7.513 -6.047 -3.286 1.00 41.35 H new ATOM 0 HA GLU A 73 -9.613 -4.586 -2.020 1.00 55.13 H new ATOM 0 HB2 GLU A 73 -8.802 -5.755 0.002 1.00 75.20 H new ATOM 0 HB3 GLU A 73 -9.033 -6.853 -1.344 1.00 75.20 H new ATOM 0 HG2 GLU A 73 -6.559 -6.701 -1.812 1.00 4.11 H new ATOM 0 HG3 GLU A 73 -6.387 -5.739 -0.357 1.00 4.11 H new ATOM 1204 N LYS A 74 -6.500 -3.620 -1.534 1.00 51.11 N ATOM 1205 CA LYS A 74 -5.674 -2.524 -1.041 1.00 63.51 C ATOM 1206 C LYS A 74 -6.157 -1.187 -1.593 1.00 71.20 C ATOM 1207 O LYS A 74 -6.395 -0.243 -0.840 1.00 11.13 O ATOM 1208 CB LYS A 74 -4.210 -2.749 -1.428 1.00 0.43 C ATOM 1209 CG LYS A 74 -3.224 -2.281 -0.372 1.00 5.32 C ATOM 1210 CD LYS A 74 -3.438 -0.819 -0.018 1.00 4.35 C ATOM 1211 CE LYS A 74 -3.178 0.088 -1.211 1.00 61.20 C ATOM 1212 NZ LYS A 74 -2.600 1.397 -0.798 1.00 72.30 N ATOM 0 H LYS A 74 -5.981 -4.356 -2.014 1.00 51.11 H new ATOM 0 HA LYS A 74 -5.757 -2.499 0.046 1.00 63.51 H new ATOM 0 HB2 LYS A 74 -4.052 -3.811 -1.616 1.00 0.43 H new ATOM 0 HB3 LYS A 74 -4.005 -2.226 -2.362 1.00 0.43 H new ATOM 0 HG2 LYS A 74 -3.331 -2.893 0.524 1.00 5.32 H new ATOM 0 HG3 LYS A 74 -2.206 -2.423 -0.735 1.00 5.32 H new ATOM 0 HD2 LYS A 74 -4.459 -0.675 0.334 1.00 4.35 H new ATOM 0 HD3 LYS A 74 -2.776 -0.542 0.802 1.00 4.35 H new ATOM 0 HE2 LYS A 74 -2.497 -0.408 -1.902 1.00 61.20 H new ATOM 0 HE3 LYS A 74 -4.111 0.257 -1.749 1.00 61.20 H new ATOM 0 HZ1 LYS A 74 -2.438 1.986 -1.640 1.00 72.30 H new ATOM 0 HZ2 LYS A 74 -3.261 1.882 -0.158 1.00 72.30 H new ATOM 0 HZ3 LYS A 74 -1.697 1.238 -0.307 1.00 72.30 H new ATOM 1226 N PHE A 75 -6.302 -1.114 -2.912 1.00 63.10 N ATOM 1227 CA PHE A 75 -6.758 0.108 -3.565 1.00 24.24 C ATOM 1228 C PHE A 75 -8.212 0.404 -3.209 1.00 44.21 C ATOM 1229 O PHE A 75 -8.608 1.563 -3.088 1.00 12.44 O ATOM 1230 CB PHE A 75 -6.606 -0.012 -5.082 1.00 71.44 C ATOM 1231 CG PHE A 75 -7.917 -0.068 -5.813 1.00 72.31 C ATOM 1232 CD1 PHE A 75 -8.593 1.096 -6.140 1.00 52.22 C ATOM 1233 CD2 PHE A 75 -8.473 -1.285 -6.173 1.00 75.02 C ATOM 1234 CE1 PHE A 75 -9.800 1.047 -6.812 1.00 11.52 C ATOM 1235 CE2 PHE A 75 -9.680 -1.340 -6.845 1.00 71.04 C ATOM 1236 CZ PHE A 75 -10.344 -0.172 -7.166 1.00 4.01 C ATOM 0 H PHE A 75 -6.110 -1.887 -3.550 1.00 63.10 H new ATOM 0 HA PHE A 75 -6.140 0.933 -3.210 1.00 24.24 H new ATOM 0 HB2 PHE A 75 -6.030 0.837 -5.450 1.00 71.44 H new ATOM 0 HB3 PHE A 75 -6.032 -0.910 -5.312 1.00 71.44 H new ATOM 0 HD1 PHE A 75 -8.172 2.052 -5.867 1.00 52.22 H new ATOM 0 HD2 PHE A 75 -7.958 -2.201 -5.926 1.00 75.02 H new ATOM 0 HE1 PHE A 75 -10.318 1.962 -7.060 1.00 11.52 H new ATOM 0 HE2 PHE A 75 -10.103 -2.295 -7.119 1.00 71.04 H new ATOM 0 HZ PHE A 75 -11.286 -0.212 -7.692 1.00 4.01 H new ATOM 1246 N ASP A 76 -9.001 -0.651 -3.044 1.00 61.44 N ATOM 1247 CA ASP A 76 -10.411 -0.506 -2.702 1.00 51.24 C ATOM 1248 C ASP A 76 -10.577 0.279 -1.405 1.00 53.30 C ATOM 1249 O ASP A 76 -11.317 1.261 -1.354 1.00 1.33 O ATOM 1250 CB ASP A 76 -11.070 -1.880 -2.570 1.00 12.42 C ATOM 1251 CG ASP A 76 -12.568 -1.785 -2.352 1.00 44.35 C ATOM 1252 OD1 ASP A 76 -13.312 -1.746 -3.355 1.00 22.41 O ATOM 1253 OD2 ASP A 76 -12.995 -1.750 -1.180 1.00 14.30 O ATOM 0 H ASP A 76 -8.688 -1.617 -3.142 1.00 61.44 H new ATOM 0 HA ASP A 76 -10.900 0.046 -3.505 1.00 51.24 H new ATOM 0 HB2 ASP A 76 -10.873 -2.462 -3.470 1.00 12.42 H new ATOM 0 HB3 ASP A 76 -10.618 -2.418 -1.737 1.00 12.42 H new ATOM 1258 N GLU A 77 -9.885 -0.162 -0.359 1.00 50.13 N ATOM 1259 CA GLU A 77 -9.958 0.499 0.938 1.00 13.13 C ATOM 1260 C GLU A 77 -9.294 1.872 0.888 1.00 24.21 C ATOM 1261 O GLU A 77 -9.849 2.860 1.365 1.00 34.05 O ATOM 1262 CB GLU A 77 -9.293 -0.363 2.013 1.00 3.00 C ATOM 1263 CG GLU A 77 -7.858 -0.743 1.686 1.00 34.31 C ATOM 1264 CD GLU A 77 -7.302 -1.789 2.633 1.00 41.11 C ATOM 1265 OE1 GLU A 77 -7.851 -2.910 2.669 1.00 10.31 O ATOM 1266 OE2 GLU A 77 -6.316 -1.486 3.338 1.00 53.34 O ATOM 0 H GLU A 77 -9.268 -0.974 -0.385 1.00 50.13 H new ATOM 0 HA GLU A 77 -11.010 0.633 1.190 1.00 13.13 H new ATOM 0 HB2 GLU A 77 -9.311 0.175 2.961 1.00 3.00 H new ATOM 0 HB3 GLU A 77 -9.878 -1.272 2.152 1.00 3.00 H new ATOM 0 HG2 GLU A 77 -7.810 -1.120 0.665 1.00 34.31 H new ATOM 0 HG3 GLU A 77 -7.232 0.148 1.726 1.00 34.31 H new ATOM 1273 N ASN A 78 -8.100 1.924 0.306 1.00 24.45 N ATOM 1274 CA ASN A 78 -7.358 3.174 0.194 1.00 4.14 C ATOM 1275 C ASN A 78 -8.227 4.270 -0.414 1.00 73.02 C ATOM 1276 O ASN A 78 -8.155 5.430 -0.010 1.00 2.40 O ATOM 1277 CB ASN A 78 -6.102 2.972 -0.657 1.00 14.02 C ATOM 1278 CG ASN A 78 -5.107 4.104 -0.496 1.00 45.44 C ATOM 1279 OD1 ASN A 78 -4.732 4.463 0.620 1.00 10.02 O ATOM 1280 ND2 ASN A 78 -4.673 4.674 -1.615 1.00 60.31 N ATOM 0 H ASN A 78 -7.626 1.115 -0.095 1.00 24.45 H new ATOM 0 HA ASN A 78 -7.063 3.483 1.197 1.00 4.14 H new ATOM 0 HB2 ASN A 78 -5.626 2.031 -0.380 1.00 14.02 H new ATOM 0 HB3 ASN A 78 -6.387 2.888 -1.706 1.00 14.02 H new ATOM 0 HD21 ASN A 78 -4.002 5.441 -1.570 1.00 60.31 H new ATOM 0 HD22 ASN A 78 -5.011 4.344 -2.519 1.00 60.31 H new ATOM 1287 N SER A 79 -9.050 3.893 -1.388 1.00 23.21 N ATOM 1288 CA SER A 79 -9.931 4.844 -2.055 1.00 35.41 C ATOM 1289 C SER A 79 -11.146 5.159 -1.187 1.00 72.13 C ATOM 1290 O SER A 79 -11.599 6.302 -1.125 1.00 44.23 O ATOM 1291 CB SER A 79 -10.386 4.289 -3.406 1.00 61.32 C ATOM 1292 OG SER A 79 -11.434 3.348 -3.245 1.00 44.31 O ATOM 0 H SER A 79 -9.125 2.936 -1.732 1.00 23.21 H new ATOM 0 HA SER A 79 -9.373 5.766 -2.218 1.00 35.41 H new ATOM 0 HB2 SER A 79 -10.722 5.107 -4.044 1.00 61.32 H new ATOM 0 HB3 SER A 79 -9.543 3.817 -3.911 1.00 61.32 H new ATOM 0 HG SER A 79 -11.188 2.700 -2.552 1.00 44.31 H new ATOM 1298 N ARG A 80 -11.669 4.136 -0.519 1.00 13.32 N ATOM 1299 CA ARG A 80 -12.832 4.303 0.345 1.00 72.34 C ATOM 1300 C ARG A 80 -12.452 5.021 1.636 1.00 12.10 C ATOM 1301 O ARG A 80 -13.318 5.402 2.424 1.00 43.25 O ATOM 1302 CB ARG A 80 -13.452 2.942 0.669 1.00 53.23 C ATOM 1303 CG ARG A 80 -12.925 2.323 1.953 1.00 60.03 C ATOM 1304 CD ARG A 80 -13.821 2.649 3.137 1.00 1.14 C ATOM 1305 NE ARG A 80 -14.025 1.492 4.004 1.00 75.50 N ATOM 1306 CZ ARG A 80 -14.682 1.544 5.158 1.00 43.13 C ATOM 1307 NH1 ARG A 80 -15.194 2.691 5.581 1.00 55.21 N ATOM 1308 NH2 ARG A 80 -14.826 0.447 5.891 1.00 54.44 N ATOM 0 H ARG A 80 -11.306 3.184 -0.559 1.00 13.32 H new ATOM 0 HA ARG A 80 -13.564 4.911 -0.186 1.00 72.34 H new ATOM 0 HB2 ARG A 80 -14.533 3.054 0.747 1.00 53.23 H new ATOM 0 HB3 ARG A 80 -13.261 2.259 -0.159 1.00 53.23 H new ATOM 0 HG2 ARG A 80 -12.855 1.242 1.835 1.00 60.03 H new ATOM 0 HG3 ARG A 80 -11.916 2.688 2.147 1.00 60.03 H new ATOM 0 HD2 ARG A 80 -13.378 3.461 3.714 1.00 1.14 H new ATOM 0 HD3 ARG A 80 -14.785 3.005 2.775 1.00 1.14 H new ATOM 0 HE ARG A 80 -13.642 0.594 3.708 1.00 75.50 H new ATOM 0 HH11 ARG A 80 -15.084 3.536 5.020 1.00 55.21 H new ATOM 0 HH12 ARG A 80 -15.698 2.729 6.467 1.00 55.21 H new ATOM 0 HH21 ARG A 80 -14.432 -0.437 5.569 1.00 54.44 H new ATOM 0 HH22 ARG A 80 -15.330 0.488 6.777 1.00 54.44 H new ATOM 1322 N MET A 81 -11.152 5.202 1.846 1.00 34.32 N ATOM 1323 CA MET A 81 -10.658 5.875 3.042 1.00 72.23 C ATOM 1324 C MET A 81 -11.532 7.076 3.390 1.00 71.41 C ATOM 1325 O MET A 81 -12.113 7.708 2.508 1.00 22.30 O ATOM 1326 CB MET A 81 -9.210 6.325 2.838 1.00 74.02 C ATOM 1327 CG MET A 81 -8.213 5.178 2.828 1.00 21.13 C ATOM 1328 SD MET A 81 -8.139 4.309 4.406 1.00 21.23 S ATOM 1329 CE MET A 81 -7.635 5.635 5.500 1.00 63.32 C ATOM 0 H MET A 81 -10.422 4.892 1.204 1.00 34.32 H new ATOM 0 HA MET A 81 -10.698 5.167 3.870 1.00 72.23 H new ATOM 0 HB2 MET A 81 -9.136 6.868 1.896 1.00 74.02 H new ATOM 0 HB3 MET A 81 -8.940 7.023 3.630 1.00 74.02 H new ATOM 0 HG2 MET A 81 -8.484 4.473 2.042 1.00 21.13 H new ATOM 0 HG3 MET A 81 -7.223 5.564 2.583 1.00 21.13 H new ATOM 0 HE1 MET A 81 -7.159 5.215 6.386 1.00 63.32 H new ATOM 0 HE2 MET A 81 -6.929 6.285 4.983 1.00 63.32 H new ATOM 0 HE3 MET A 81 -8.510 6.213 5.798 1.00 63.32 H new ATOM 1339 N GLN A 82 -11.620 7.383 4.680 1.00 54.41 N ATOM 1340 CA GLN A 82 -12.425 8.508 5.143 1.00 23.01 C ATOM 1341 C GLN A 82 -11.824 9.832 4.684 1.00 1.50 C ATOM 1342 O GLN A 82 -10.619 9.931 4.451 1.00 51.43 O ATOM 1343 CB GLN A 82 -12.538 8.487 6.668 1.00 11.24 C ATOM 1344 CG GLN A 82 -13.235 7.249 7.210 1.00 51.52 C ATOM 1345 CD GLN A 82 -13.703 7.423 8.641 1.00 32.53 C ATOM 1346 OE1 GLN A 82 -13.530 8.485 9.239 1.00 25.23 O ATOM 1347 NE2 GLN A 82 -14.301 6.376 9.199 1.00 12.54 N ATOM 0 H GLN A 82 -11.145 6.870 5.422 1.00 54.41 H new ATOM 0 HA GLN A 82 -13.421 8.413 4.710 1.00 23.01 H new ATOM 0 HB2 GLN A 82 -11.539 8.549 7.099 1.00 11.24 H new ATOM 0 HB3 GLN A 82 -13.082 9.373 6.996 1.00 11.24 H new ATOM 0 HG2 GLN A 82 -14.091 7.012 6.578 1.00 51.52 H new ATOM 0 HG3 GLN A 82 -12.554 6.400 7.155 1.00 51.52 H new ATOM 0 HE21 GLN A 82 -14.423 5.515 8.666 1.00 12.54 H new ATOM 0 HE22 GLN A 82 -14.638 6.433 10.160 1.00 12.54 H new ATOM 1356 N TYR A 83 -12.671 10.848 4.556 1.00 20.41 N ATOM 1357 CA TYR A 83 -12.224 12.166 4.122 1.00 30.11 C ATOM 1358 C TYR A 83 -11.097 12.680 5.013 1.00 34.12 C ATOM 1359 O TYR A 83 -10.145 13.296 4.535 1.00 23.24 O ATOM 1360 CB TYR A 83 -13.392 13.154 4.136 1.00 22.25 C ATOM 1361 CG TYR A 83 -13.582 13.886 2.827 1.00 23.03 C ATOM 1362 CD1 TYR A 83 -12.532 14.580 2.239 1.00 42.44 C ATOM 1363 CD2 TYR A 83 -14.811 13.884 2.179 1.00 3.44 C ATOM 1364 CE1 TYR A 83 -12.701 15.251 1.043 1.00 43.41 C ATOM 1365 CE2 TYR A 83 -14.988 14.551 0.983 1.00 53.32 C ATOM 1366 CZ TYR A 83 -13.931 15.234 0.419 1.00 65.53 C ATOM 1367 OH TYR A 83 -14.104 15.900 -0.772 1.00 42.45 O ATOM 0 H TYR A 83 -13.671 10.784 4.747 1.00 20.41 H new ATOM 0 HA TYR A 83 -11.845 12.076 3.104 1.00 30.11 H new ATOM 0 HB2 TYR A 83 -14.309 12.616 4.378 1.00 22.25 H new ATOM 0 HB3 TYR A 83 -13.231 13.883 4.930 1.00 22.25 H new ATOM 0 HD1 TYR A 83 -11.568 14.595 2.725 1.00 42.44 H new ATOM 0 HD2 TYR A 83 -15.642 13.352 2.618 1.00 3.44 H new ATOM 0 HE1 TYR A 83 -11.874 15.786 0.599 1.00 43.41 H new ATOM 0 HE2 TYR A 83 -15.950 14.538 0.492 1.00 53.32 H new ATOM 0 HH TYR A 83 -15.028 15.787 -1.079 1.00 42.45 H new ATOM 1377 N SER A 84 -11.214 12.421 6.312 1.00 51.32 N ATOM 1378 CA SER A 84 -10.208 12.860 7.272 1.00 70.21 C ATOM 1379 C SER A 84 -8.855 12.223 6.970 1.00 30.42 C ATOM 1380 O SER A 84 -7.842 12.913 6.862 1.00 15.44 O ATOM 1381 CB SER A 84 -10.644 12.508 8.696 1.00 42.33 C ATOM 1382 OG SER A 84 -12.038 12.698 8.864 1.00 72.44 O ATOM 0 H SER A 84 -11.995 11.910 6.723 1.00 51.32 H new ATOM 0 HA SER A 84 -10.108 13.942 7.187 1.00 70.21 H new ATOM 0 HB2 SER A 84 -10.386 11.471 8.913 1.00 42.33 H new ATOM 0 HB3 SER A 84 -10.101 13.127 9.410 1.00 42.33 H new ATOM 0 HG SER A 84 -12.292 12.465 9.781 1.00 72.44 H new ATOM 1388 N GLU A 85 -8.848 10.900 6.835 1.00 4.03 N ATOM 1389 CA GLU A 85 -7.619 10.169 6.547 1.00 53.10 C ATOM 1390 C GLU A 85 -7.098 10.509 5.154 1.00 53.15 C ATOM 1391 O GLU A 85 -5.889 10.535 4.919 1.00 32.34 O ATOM 1392 CB GLU A 85 -7.858 8.662 6.661 1.00 63.04 C ATOM 1393 CG GLU A 85 -6.901 7.964 7.612 1.00 4.45 C ATOM 1394 CD GLU A 85 -7.579 6.887 8.436 1.00 0.24 C ATOM 1395 OE1 GLU A 85 -8.693 6.467 8.060 1.00 13.02 O ATOM 1396 OE2 GLU A 85 -6.996 6.465 9.457 1.00 74.22 O ATOM 0 H GLU A 85 -9.678 10.314 6.920 1.00 4.03 H new ATOM 0 HA GLU A 85 -6.868 10.467 7.279 1.00 53.10 H new ATOM 0 HB2 GLU A 85 -8.881 8.489 6.996 1.00 63.04 H new ATOM 0 HB3 GLU A 85 -7.767 8.212 5.672 1.00 63.04 H new ATOM 0 HG2 GLU A 85 -6.086 7.520 7.040 1.00 4.45 H new ATOM 0 HG3 GLU A 85 -6.456 8.702 8.280 1.00 4.45 H new ATOM 1403 N LEU A 86 -8.019 10.769 4.232 1.00 64.05 N ATOM 1404 CA LEU A 86 -7.654 11.107 2.860 1.00 3.12 C ATOM 1405 C LEU A 86 -6.962 12.465 2.800 1.00 43.11 C ATOM 1406 O LEU A 86 -5.925 12.616 2.155 1.00 64.11 O ATOM 1407 CB LEU A 86 -8.896 11.115 1.968 1.00 13.11 C ATOM 1408 CG LEU A 86 -8.738 10.468 0.592 1.00 54.35 C ATOM 1409 CD1 LEU A 86 -7.752 11.255 -0.258 1.00 32.11 C ATOM 1410 CD2 LEU A 86 -8.290 9.021 0.731 1.00 64.04 C ATOM 0 H LEU A 86 -9.023 10.752 4.409 1.00 64.05 H new ATOM 0 HA LEU A 86 -6.959 10.349 2.498 1.00 3.12 H new ATOM 0 HB2 LEU A 86 -9.702 10.605 2.497 1.00 13.11 H new ATOM 0 HB3 LEU A 86 -9.211 12.149 1.827 1.00 13.11 H new ATOM 0 HG LEU A 86 -9.707 10.480 0.093 1.00 54.35 H new ATOM 0 HD11 LEU A 86 -7.652 10.780 -1.234 1.00 32.11 H new ATOM 0 HD12 LEU A 86 -8.115 12.275 -0.387 1.00 32.11 H new ATOM 0 HD13 LEU A 86 -6.781 11.276 0.236 1.00 32.11 H new ATOM 0 HD21 LEU A 86 -8.183 8.577 -0.259 1.00 64.04 H new ATOM 0 HD22 LEU A 86 -7.333 8.985 1.251 1.00 64.04 H new ATOM 0 HD23 LEU A 86 -9.033 8.463 1.301 1.00 64.04 H new ATOM 1422 N MET A 87 -7.542 13.450 3.478 1.00 30.30 N ATOM 1423 CA MET A 87 -6.979 14.795 3.504 1.00 23.41 C ATOM 1424 C MET A 87 -5.722 14.841 4.368 1.00 54.21 C ATOM 1425 O MET A 87 -4.858 15.698 4.180 1.00 13.43 O ATOM 1426 CB MET A 87 -8.011 15.793 4.031 1.00 33.00 C ATOM 1427 CG MET A 87 -8.548 16.733 2.964 1.00 64.14 C ATOM 1428 SD MET A 87 -9.245 15.855 1.552 1.00 74.22 S ATOM 1429 CE MET A 87 -7.910 16.003 0.367 1.00 30.44 C ATOM 0 H MET A 87 -8.401 13.342 4.017 1.00 30.30 H new ATOM 0 HA MET A 87 -6.708 15.069 2.484 1.00 23.41 H new ATOM 0 HB2 MET A 87 -8.843 15.244 4.472 1.00 33.00 H new ATOM 0 HB3 MET A 87 -7.560 16.383 4.829 1.00 33.00 H new ATOM 0 HG2 MET A 87 -9.313 17.374 3.402 1.00 64.14 H new ATOM 0 HG3 MET A 87 -7.744 17.384 2.621 1.00 64.14 H new ATOM 0 HE1 MET A 87 -8.261 16.546 -0.510 1.00 30.44 H new ATOM 0 HE2 MET A 87 -7.079 16.544 0.821 1.00 30.44 H new ATOM 0 HE3 MET A 87 -7.576 15.009 0.069 1.00 30.44 H new ATOM 1439 N THR A 88 -5.627 13.914 5.316 1.00 5.10 N ATOM 1440 CA THR A 88 -4.477 13.851 6.209 1.00 22.54 C ATOM 1441 C THR A 88 -3.275 13.219 5.515 1.00 13.53 C ATOM 1442 O THR A 88 -2.137 13.646 5.711 1.00 30.24 O ATOM 1443 CB THR A 88 -4.799 13.048 7.484 1.00 74.42 C ATOM 1444 OG1 THR A 88 -5.795 13.730 8.254 1.00 1.21 O ATOM 1445 CG2 THR A 88 -3.549 12.845 8.327 1.00 53.04 C ATOM 0 H THR A 88 -6.332 13.197 5.485 1.00 5.10 H new ATOM 0 HA THR A 88 -4.236 14.877 6.485 1.00 22.54 H new ATOM 0 HB THR A 88 -5.178 12.071 7.185 1.00 74.42 H new ATOM 0 HG1 THR A 88 -6.633 13.764 7.748 1.00 1.21 H new ATOM 0 HG21 THR A 88 -3.802 12.276 9.221 1.00 53.04 H new ATOM 0 HG22 THR A 88 -2.804 12.299 7.748 1.00 53.04 H new ATOM 0 HG23 THR A 88 -3.144 13.815 8.617 1.00 53.04 H new ATOM 1453 N LYS A 89 -3.535 12.201 4.702 1.00 12.32 N ATOM 1454 CA LYS A 89 -2.475 11.512 3.976 1.00 34.52 C ATOM 1455 C LYS A 89 -1.995 12.345 2.793 1.00 50.24 C ATOM 1456 O LYS A 89 -0.988 12.023 2.162 1.00 5.23 O ATOM 1457 CB LYS A 89 -2.968 10.148 3.487 1.00 74.05 C ATOM 1458 CG LYS A 89 -2.081 8.991 3.912 1.00 2.45 C ATOM 1459 CD LYS A 89 -2.490 8.445 5.270 1.00 75.53 C ATOM 1460 CE LYS A 89 -1.726 9.121 6.397 1.00 11.32 C ATOM 1461 NZ LYS A 89 -0.904 8.150 7.171 1.00 13.11 N ATOM 0 H LYS A 89 -4.471 11.835 4.529 1.00 12.32 H new ATOM 0 HA LYS A 89 -1.637 11.366 4.658 1.00 34.52 H new ATOM 0 HB2 LYS A 89 -3.976 9.979 3.865 1.00 74.05 H new ATOM 0 HB3 LYS A 89 -3.034 10.164 2.399 1.00 74.05 H new ATOM 0 HG2 LYS A 89 -2.136 8.197 3.168 1.00 2.45 H new ATOM 0 HG3 LYS A 89 -1.043 9.322 3.949 1.00 2.45 H new ATOM 0 HD2 LYS A 89 -3.560 8.593 5.415 1.00 75.53 H new ATOM 0 HD3 LYS A 89 -2.310 7.370 5.300 1.00 75.53 H new ATOM 0 HE2 LYS A 89 -1.080 9.896 5.984 1.00 11.32 H new ATOM 0 HE3 LYS A 89 -2.429 9.616 7.067 1.00 11.32 H new ATOM 0 HZ1 LYS A 89 -0.399 8.650 7.930 1.00 13.11 H new ATOM 0 HZ2 LYS A 89 -1.523 7.425 7.587 1.00 13.11 H new ATOM 0 HZ3 LYS A 89 -0.215 7.696 6.538 1.00 13.11 H new ATOM 1475 N TYR A 90 -2.721 13.418 2.497 1.00 22.31 N ATOM 1476 CA TYR A 90 -2.369 14.297 1.389 1.00 42.14 C ATOM 1477 C TYR A 90 -1.863 15.642 1.900 1.00 42.51 C ATOM 1478 O TYR A 90 -0.993 16.265 1.289 1.00 21.34 O ATOM 1479 CB TYR A 90 -3.577 14.508 0.474 1.00 3.01 C ATOM 1480 CG TYR A 90 -3.352 15.554 -0.595 1.00 22.53 C ATOM 1481 CD1 TYR A 90 -2.819 15.209 -1.831 1.00 33.43 C ATOM 1482 CD2 TYR A 90 -3.673 16.886 -0.369 1.00 2.44 C ATOM 1483 CE1 TYR A 90 -2.611 16.161 -2.810 1.00 34.23 C ATOM 1484 CE2 TYR A 90 -3.470 17.845 -1.342 1.00 43.24 C ATOM 1485 CZ TYR A 90 -2.938 17.477 -2.561 1.00 14.50 C ATOM 1486 OH TYR A 90 -2.734 18.429 -3.534 1.00 71.31 O ATOM 0 H TYR A 90 -3.557 13.699 3.009 1.00 22.31 H new ATOM 0 HA TYR A 90 -1.570 13.821 0.821 1.00 42.14 H new ATOM 0 HB2 TYR A 90 -3.830 13.561 -0.003 1.00 3.01 H new ATOM 0 HB3 TYR A 90 -4.435 14.799 1.080 1.00 3.01 H new ATOM 0 HD1 TYR A 90 -2.563 14.179 -2.030 1.00 33.43 H new ATOM 0 HD2 TYR A 90 -4.089 17.177 0.584 1.00 2.44 H new ATOM 0 HE1 TYR A 90 -2.195 15.876 -3.765 1.00 34.23 H new ATOM 0 HE2 TYR A 90 -3.726 18.877 -1.150 1.00 43.24 H new ATOM 0 HH TYR A 90 -3.018 19.305 -3.199 1.00 71.31 H new ATOM 1496 N HIS A 91 -2.414 16.086 3.025 1.00 21.34 N ATOM 1497 CA HIS A 91 -2.018 17.357 3.621 1.00 35.14 C ATOM 1498 C HIS A 91 -0.950 17.147 4.690 1.00 34.15 C ATOM 1499 O HIS A 91 -0.157 18.045 4.974 1.00 34.22 O ATOM 1500 CB HIS A 91 -3.233 18.059 4.229 1.00 52.45 C ATOM 1501 CG HIS A 91 -3.061 19.541 4.368 1.00 62.41 C ATOM 1502 ND1 HIS A 91 -3.079 20.189 5.585 1.00 50.24 N ATOM 1503 CD2 HIS A 91 -2.864 20.501 3.434 1.00 33.23 C ATOM 1504 CE1 HIS A 91 -2.903 21.484 5.393 1.00 1.43 C ATOM 1505 NE2 HIS A 91 -2.770 21.700 4.097 1.00 64.20 N ATOM 0 H HIS A 91 -3.136 15.585 3.542 1.00 21.34 H new ATOM 0 HA HIS A 91 -1.600 17.985 2.834 1.00 35.14 H new ATOM 0 HB2 HIS A 91 -4.106 17.859 3.608 1.00 52.45 H new ATOM 0 HB3 HIS A 91 -3.436 17.631 5.211 1.00 52.45 H new ATOM 0 HD2 HIS A 91 -2.794 20.352 2.367 1.00 33.23 H new ATOM 0 HE1 HIS A 91 -2.873 22.238 6.165 1.00 1.43 H new ATOM 0 HE2 HIS A 91 -2.622 22.609 3.660 1.00 64.20 H new ATOM 1513 N ASP A 92 -0.937 15.957 5.280 1.00 23.41 N ATOM 1514 CA ASP A 92 0.034 15.629 6.318 1.00 60.42 C ATOM 1515 C ASP A 92 1.193 14.821 5.742 1.00 20.10 C ATOM 1516 O ASP A 92 2.359 15.181 5.911 1.00 31.31 O ATOM 1517 CB ASP A 92 -0.639 14.845 7.446 1.00 2.31 C ATOM 1518 CG ASP A 92 -0.148 15.268 8.817 1.00 70.11 C ATOM 1519 OD1 ASP A 92 -0.672 16.267 9.352 1.00 33.54 O ATOM 1520 OD2 ASP A 92 0.761 14.600 9.354 1.00 50.42 O ATOM 0 H ASP A 92 -1.587 15.203 5.058 1.00 23.41 H new ATOM 0 HA ASP A 92 0.429 16.562 6.720 1.00 60.42 H new ATOM 0 HB2 ASP A 92 -1.718 14.987 7.390 1.00 2.31 H new ATOM 0 HB3 ASP A 92 -0.450 13.780 7.308 1.00 2.31 H new ATOM 1525 N LEU A 93 0.865 13.728 5.062 1.00 23.44 N ATOM 1526 CA LEU A 93 1.879 12.867 4.462 1.00 41.41 C ATOM 1527 C LEU A 93 2.730 13.644 3.463 1.00 42.43 C ATOM 1528 O LEU A 93 3.834 13.226 3.113 1.00 72.35 O ATOM 1529 CB LEU A 93 1.218 11.675 3.768 1.00 44.02 C ATOM 1530 CG LEU A 93 1.814 10.302 4.080 1.00 22.12 C ATOM 1531 CD1 LEU A 93 3.292 10.268 3.724 1.00 23.10 C ATOM 1532 CD2 LEU A 93 1.609 9.953 5.547 1.00 20.40 C ATOM 0 H LEU A 93 -0.095 13.417 4.912 1.00 23.44 H new ATOM 0 HA LEU A 93 2.528 12.502 5.258 1.00 41.41 H new ATOM 0 HB2 LEU A 93 0.163 11.661 4.040 1.00 44.02 H new ATOM 0 HB3 LEU A 93 1.267 11.834 2.691 1.00 44.02 H new ATOM 0 HG LEU A 93 1.298 9.557 3.474 1.00 22.12 H new ATOM 0 HD11 LEU A 93 3.699 9.283 3.953 1.00 23.10 H new ATOM 0 HD12 LEU A 93 3.415 10.473 2.661 1.00 23.10 H new ATOM 0 HD13 LEU A 93 3.823 11.023 4.303 1.00 23.10 H new ATOM 0 HD21 LEU A 93 2.039 8.973 5.751 1.00 20.40 H new ATOM 0 HD22 LEU A 93 2.098 10.701 6.171 1.00 20.40 H new ATOM 0 HD23 LEU A 93 0.542 9.935 5.771 1.00 20.40 H new ATOM 1544 N LYS A 94 2.211 14.780 3.008 1.00 31.22 N ATOM 1545 CA LYS A 94 2.923 15.619 2.052 1.00 64.21 C ATOM 1546 C LYS A 94 4.206 16.174 2.664 1.00 34.52 C ATOM 1547 O LYS A 94 5.084 16.663 1.954 1.00 51.40 O ATOM 1548 CB LYS A 94 2.029 16.770 1.586 1.00 73.40 C ATOM 1549 CG LYS A 94 1.340 17.503 2.724 1.00 52.45 C ATOM 1550 CD LYS A 94 1.934 18.886 2.936 1.00 33.31 C ATOM 1551 CE LYS A 94 3.040 18.863 3.980 1.00 34.32 C ATOM 1552 NZ LYS A 94 3.022 20.083 4.833 1.00 3.04 N ATOM 0 H LYS A 94 1.299 15.141 3.287 1.00 31.22 H new ATOM 0 HA LYS A 94 3.188 15.002 1.193 1.00 64.21 H new ATOM 0 HB2 LYS A 94 2.631 17.480 1.019 1.00 73.40 H new ATOM 0 HB3 LYS A 94 1.272 16.379 0.906 1.00 73.40 H new ATOM 0 HG2 LYS A 94 0.275 17.592 2.509 1.00 52.45 H new ATOM 0 HG3 LYS A 94 1.432 16.922 3.641 1.00 52.45 H new ATOM 0 HD2 LYS A 94 2.330 19.262 1.993 1.00 33.31 H new ATOM 0 HD3 LYS A 94 1.150 19.576 3.250 1.00 33.31 H new ATOM 0 HE2 LYS A 94 2.928 17.979 4.608 1.00 34.32 H new ATOM 0 HE3 LYS A 94 4.007 18.781 3.483 1.00 34.32 H new ATOM 0 HZ1 LYS A 94 3.927 20.587 4.737 1.00 3.04 H new ATOM 0 HZ2 LYS A 94 2.245 20.705 4.532 1.00 3.04 H new ATOM 0 HZ3 LYS A 94 2.882 19.810 5.827 1.00 3.04 H new ATOM 1566 N LYS A 95 4.308 16.092 3.986 1.00 14.35 N ATOM 1567 CA LYS A 95 5.483 16.583 4.695 1.00 5.32 C ATOM 1568 C LYS A 95 6.757 15.959 4.134 1.00 41.21 C ATOM 1569 O LYS A 95 7.786 16.625 4.018 1.00 14.03 O ATOM 1570 CB LYS A 95 5.368 16.276 6.190 1.00 4.51 C ATOM 1571 CG LYS A 95 4.651 17.358 6.980 1.00 61.25 C ATOM 1572 CD LYS A 95 5.633 18.310 7.640 1.00 4.42 C ATOM 1573 CE LYS A 95 5.663 19.658 6.936 1.00 72.05 C ATOM 1574 NZ LYS A 95 4.738 20.637 7.572 1.00 64.11 N ATOM 0 H LYS A 95 3.590 15.690 4.589 1.00 14.35 H new ATOM 0 HA LYS A 95 5.536 17.663 4.555 1.00 5.32 H new ATOM 0 HB2 LYS A 95 4.838 15.332 6.319 1.00 4.51 H new ATOM 0 HB3 LYS A 95 6.368 16.139 6.602 1.00 4.51 H new ATOM 0 HG2 LYS A 95 3.991 17.917 6.317 1.00 61.25 H new ATOM 0 HG3 LYS A 95 4.022 16.897 7.742 1.00 61.25 H new ATOM 0 HD2 LYS A 95 5.358 18.451 8.685 1.00 4.42 H new ATOM 0 HD3 LYS A 95 6.630 17.871 7.629 1.00 4.42 H new ATOM 0 HE2 LYS A 95 6.678 20.054 6.953 1.00 72.05 H new ATOM 0 HE3 LYS A 95 5.389 19.527 5.889 1.00 72.05 H new ATOM 0 HZ1 LYS A 95 4.762 21.532 7.043 1.00 64.11 H new ATOM 0 HZ2 LYS A 95 3.770 20.256 7.564 1.00 64.11 H new ATOM 0 HZ3 LYS A 95 5.035 20.807 8.554 1.00 64.11 H new ATOM 1588 N GLN A 96 6.680 14.679 3.786 1.00 33.20 N ATOM 1589 CA GLN A 96 7.827 13.966 3.236 1.00 10.51 C ATOM 1590 C GLN A 96 7.534 13.470 1.824 1.00 34.43 C ATOM 1591 O GLN A 96 8.438 13.341 1.000 1.00 12.41 O ATOM 1592 CB GLN A 96 8.202 12.788 4.137 1.00 51.25 C ATOM 1593 CG GLN A 96 7.167 11.675 4.144 1.00 32.04 C ATOM 1594 CD GLN A 96 7.261 10.799 5.378 1.00 14.55 C ATOM 1595 OE1 GLN A 96 7.607 9.621 5.293 1.00 43.12 O ATOM 1596 NE2 GLN A 96 6.951 11.372 6.536 1.00 44.31 N ATOM 0 H GLN A 96 5.835 14.114 3.875 1.00 33.20 H new ATOM 0 HA GLN A 96 8.666 14.660 3.190 1.00 10.51 H new ATOM 0 HB2 GLN A 96 9.159 12.381 3.810 1.00 51.25 H new ATOM 0 HB3 GLN A 96 8.341 13.150 5.156 1.00 51.25 H new ATOM 0 HG2 GLN A 96 6.170 12.111 4.088 1.00 32.04 H new ATOM 0 HG3 GLN A 96 7.296 11.058 3.255 1.00 32.04 H new ATOM 0 HE21 GLN A 96 6.669 12.352 6.561 1.00 44.31 H new ATOM 0 HE22 GLN A 96 6.995 10.832 7.400 1.00 44.31 H new ATOM 1605 N GLY A 97 6.262 13.191 1.552 1.00 22.35 N ATOM 1606 CA GLY A 97 5.872 12.710 0.240 1.00 44.43 C ATOM 1607 C GLY A 97 5.762 13.829 -0.778 1.00 31.24 C ATOM 1608 O GLY A 97 6.088 14.979 -0.485 1.00 11.42 O ATOM 0 H GLY A 97 5.495 13.290 2.217 1.00 22.35 H new ATOM 0 HA2 GLY A 97 6.601 11.978 -0.107 1.00 44.43 H new ATOM 0 HA3 GLY A 97 4.914 12.195 0.315 1.00 44.43 H new ATOM 1612 N LYS A 98 5.302 13.491 -1.978 1.00 3.53 N ATOM 1613 CA LYS A 98 5.150 14.475 -3.043 1.00 73.03 C ATOM 1614 C LYS A 98 3.935 14.155 -3.909 1.00 12.53 C ATOM 1615 O LYS A 98 3.516 13.002 -4.004 1.00 72.45 O ATOM 1616 CB LYS A 98 6.410 14.517 -3.911 1.00 11.55 C ATOM 1617 CG LYS A 98 6.678 13.223 -4.658 1.00 74.23 C ATOM 1618 CD LYS A 98 7.408 12.216 -3.786 1.00 21.21 C ATOM 1619 CE LYS A 98 8.173 11.203 -4.624 1.00 52.15 C ATOM 1620 NZ LYS A 98 9.501 11.725 -5.050 1.00 52.42 N ATOM 0 H LYS A 98 5.028 12.543 -2.237 1.00 3.53 H new ATOM 0 HA LYS A 98 5.000 15.452 -2.583 1.00 73.03 H new ATOM 0 HB2 LYS A 98 6.318 15.330 -4.631 1.00 11.55 H new ATOM 0 HB3 LYS A 98 7.268 14.747 -3.280 1.00 11.55 H new ATOM 0 HG2 LYS A 98 5.734 12.795 -4.997 1.00 74.23 H new ATOM 0 HG3 LYS A 98 7.271 13.432 -5.548 1.00 74.23 H new ATOM 0 HD2 LYS A 98 8.099 12.739 -3.125 1.00 21.21 H new ATOM 0 HD3 LYS A 98 6.691 11.696 -3.150 1.00 21.21 H new ATOM 0 HE2 LYS A 98 8.310 10.287 -4.050 1.00 52.15 H new ATOM 0 HE3 LYS A 98 7.586 10.943 -5.505 1.00 52.15 H new ATOM 0 HZ1 LYS A 98 9.991 11.005 -5.619 1.00 52.42 H new ATOM 0 HZ2 LYS A 98 9.369 12.585 -5.619 1.00 52.42 H new ATOM 0 HZ3 LYS A 98 10.071 11.950 -4.210 1.00 52.42 H new ATOM 1634 N ILE A 99 3.375 15.184 -4.537 1.00 62.43 N ATOM 1635 CA ILE A 99 2.210 15.011 -5.397 1.00 25.35 C ATOM 1636 C ILE A 99 2.258 15.964 -6.586 1.00 3.02 C ATOM 1637 O ILE A 99 2.710 17.103 -6.465 1.00 51.02 O ATOM 1638 CB ILE A 99 0.900 15.241 -4.621 1.00 72.41 C ATOM 1639 CG1 ILE A 99 -0.300 15.157 -5.568 1.00 4.15 C ATOM 1640 CG2 ILE A 99 0.931 16.588 -3.915 1.00 25.20 C ATOM 1641 CD1 ILE A 99 -0.750 16.502 -6.093 1.00 4.32 C ATOM 0 H ILE A 99 3.709 16.145 -4.467 1.00 62.43 H new ATOM 0 HA ILE A 99 2.233 13.983 -5.758 1.00 25.35 H new ATOM 0 HB ILE A 99 0.800 14.460 -3.867 1.00 72.41 H new ATOM 0 HG12 ILE A 99 -0.044 14.514 -6.410 1.00 4.15 H new ATOM 0 HG13 ILE A 99 -1.132 14.683 -5.047 1.00 4.15 H new ATOM 0 HG21 ILE A 99 -0.002 16.735 -3.371 1.00 25.20 H new ATOM 0 HG22 ILE A 99 1.767 16.613 -3.215 1.00 25.20 H new ATOM 0 HG23 ILE A 99 1.051 17.382 -4.652 1.00 25.20 H new ATOM 0 HD11 ILE A 99 -1.604 16.366 -6.757 1.00 4.32 H new ATOM 0 HD12 ILE A 99 -1.038 17.141 -5.258 1.00 4.32 H new ATOM 0 HD13 ILE A 99 0.067 16.970 -6.643 1.00 4.32 H new ATOM 1653 N LYS A 100 1.788 15.491 -7.735 1.00 13.50 N ATOM 1654 CA LYS A 100 1.773 16.302 -8.947 1.00 60.42 C ATOM 1655 C LYS A 100 0.361 16.405 -9.516 1.00 23.25 C ATOM 1656 O LYS A 100 -0.391 15.430 -9.516 1.00 2.14 O ATOM 1657 CB LYS A 100 2.714 15.704 -9.996 1.00 10.31 C ATOM 1658 CG LYS A 100 4.115 15.435 -9.474 1.00 14.15 C ATOM 1659 CD LYS A 100 4.832 16.725 -9.112 1.00 63.31 C ATOM 1660 CE LYS A 100 5.394 17.414 -10.346 1.00 2.42 C ATOM 1661 NZ LYS A 100 6.173 18.634 -9.993 1.00 62.42 N ATOM 0 H LYS A 100 1.412 14.550 -7.853 1.00 13.50 H new ATOM 0 HA LYS A 100 2.115 17.304 -8.688 1.00 60.42 H new ATOM 0 HB2 LYS A 100 2.287 14.771 -10.365 1.00 10.31 H new ATOM 0 HB3 LYS A 100 2.776 16.384 -10.846 1.00 10.31 H new ATOM 0 HG2 LYS A 100 4.060 14.790 -8.597 1.00 14.15 H new ATOM 0 HG3 LYS A 100 4.689 14.898 -10.229 1.00 14.15 H new ATOM 0 HD2 LYS A 100 4.141 17.396 -8.602 1.00 63.31 H new ATOM 0 HD3 LYS A 100 5.641 16.510 -8.414 1.00 63.31 H new ATOM 0 HE2 LYS A 100 6.034 16.719 -10.890 1.00 2.42 H new ATOM 0 HE3 LYS A 100 4.577 17.685 -11.014 1.00 2.42 H new ATOM 0 HZ1 LYS A 100 6.539 19.075 -10.861 1.00 62.42 H new ATOM 0 HZ2 LYS A 100 5.556 19.308 -9.496 1.00 62.42 H new ATOM 0 HZ3 LYS A 100 6.968 18.372 -9.376 1.00 62.42 H new ATOM 1675 N ASP A 101 0.009 17.590 -10.000 1.00 12.51 N ATOM 1676 CA ASP A 101 -1.312 17.820 -10.574 1.00 30.01 C ATOM 1677 C ASP A 101 -1.215 18.083 -12.073 1.00 62.14 C ATOM 1678 O ASP A 101 -1.263 19.230 -12.517 1.00 1.43 O ATOM 1679 CB ASP A 101 -1.995 18.999 -9.880 1.00 12.50 C ATOM 1680 CG ASP A 101 -1.159 20.263 -9.928 1.00 24.13 C ATOM 1681 OD1 ASP A 101 -0.089 20.290 -9.284 1.00 40.31 O ATOM 1682 OD2 ASP A 101 -1.574 21.225 -10.608 1.00 61.51 O ATOM 0 H ASP A 101 0.620 18.407 -10.007 1.00 12.51 H new ATOM 0 HA ASP A 101 -1.909 16.922 -10.419 1.00 30.01 H new ATOM 0 HB2 ASP A 101 -2.959 19.186 -10.353 1.00 12.50 H new ATOM 0 HB3 ASP A 101 -2.195 18.739 -8.841 1.00 12.50 H new ATOM 1687 N ARG A 102 -1.077 17.013 -12.849 1.00 24.51 N ATOM 1688 CA ARG A 102 -0.970 17.128 -14.298 1.00 71.23 C ATOM 1689 C ARG A 102 -2.317 17.493 -14.915 1.00 50.51 C ATOM 1690 O ARG A 102 -3.373 17.322 -14.306 1.00 53.32 O ATOM 1691 CB ARG A 102 -0.461 15.817 -14.900 1.00 20.54 C ATOM 1692 CG ARG A 102 1.055 15.729 -14.976 1.00 54.51 C ATOM 1693 CD ARG A 102 1.502 14.570 -15.852 1.00 44.24 C ATOM 1694 NE ARG A 102 1.003 14.693 -17.219 1.00 61.44 N ATOM 1695 CZ ARG A 102 1.249 13.802 -18.174 1.00 40.31 C ATOM 1696 NH1 ARG A 102 1.983 12.730 -17.912 1.00 24.01 N ATOM 1697 NH2 ARG A 102 0.759 13.984 -19.394 1.00 24.50 N ATOM 0 H ARG A 102 -1.037 16.056 -12.498 1.00 24.51 H new ATOM 0 HA ARG A 102 -0.259 17.923 -14.522 1.00 71.23 H new ATOM 0 HB2 ARG A 102 -0.835 14.984 -14.305 1.00 20.54 H new ATOM 0 HB3 ARG A 102 -0.874 15.703 -15.902 1.00 20.54 H new ATOM 0 HG2 ARG A 102 1.455 16.662 -15.373 1.00 54.51 H new ATOM 0 HG3 ARG A 102 1.464 15.608 -13.973 1.00 54.51 H new ATOM 0 HD2 ARG A 102 2.591 14.525 -15.866 1.00 44.24 H new ATOM 0 HD3 ARG A 102 1.150 13.633 -15.421 1.00 44.24 H new ATOM 0 HE ARG A 102 0.435 15.507 -17.454 1.00 61.44 H new ATOM 0 HH11 ARG A 102 2.361 12.587 -16.975 1.00 24.01 H new ATOM 0 HH12 ARG A 102 2.170 12.048 -18.647 1.00 24.01 H new ATOM 0 HH21 ARG A 102 0.194 14.808 -19.599 1.00 24.50 H new ATOM 0 HH22 ARG A 102 0.948 13.300 -20.127 1.00 24.50 H new ATOM 1711 N PRO A 103 -2.281 18.010 -16.152 1.00 61.25 N ATOM 1712 CA PRO A 103 -3.490 18.410 -16.879 1.00 3.53 C ATOM 1713 C PRO A 103 -4.338 17.214 -17.297 1.00 1.32 C ATOM 1714 O PRO A 103 -3.821 16.224 -17.814 1.00 3.01 O ATOM 1715 CB PRO A 103 -2.940 19.133 -18.111 1.00 40.10 C ATOM 1716 CG PRO A 103 -1.580 18.558 -18.312 1.00 53.40 C ATOM 1717 CD PRO A 103 -1.057 18.242 -16.938 1.00 73.22 C ATOM 0 HA PRO A 103 -4.149 19.025 -16.266 1.00 3.53 H new ATOM 0 HB2 PRO A 103 -3.573 18.967 -18.983 1.00 40.10 H new ATOM 0 HB3 PRO A 103 -2.895 20.210 -17.951 1.00 40.10 H new ATOM 0 HG2 PRO A 103 -1.623 17.661 -18.929 1.00 53.40 H new ATOM 0 HG3 PRO A 103 -0.929 19.266 -18.824 1.00 53.40 H new ATOM 0 HD2 PRO A 103 -0.412 17.363 -16.946 1.00 73.22 H new ATOM 0 HD3 PRO A 103 -0.469 19.065 -16.533 1.00 73.22 H new ATOM 1725 N VAL A 104 -5.644 17.313 -17.070 1.00 70.41 N ATOM 1726 CA VAL A 104 -6.565 16.239 -17.425 1.00 5.01 C ATOM 1727 C VAL A 104 -6.756 16.156 -18.935 1.00 61.11 C ATOM 1728 O VAL A 104 -6.912 17.174 -19.610 1.00 12.05 O ATOM 1729 CB VAL A 104 -7.938 16.432 -16.754 1.00 44.54 C ATOM 1730 CG1 VAL A 104 -8.657 17.634 -17.347 1.00 51.34 C ATOM 1731 CG2 VAL A 104 -8.780 15.174 -16.894 1.00 74.22 C ATOM 0 H VAL A 104 -6.088 18.125 -16.642 1.00 70.41 H new ATOM 0 HA VAL A 104 -6.122 15.310 -17.066 1.00 5.01 H new ATOM 0 HB VAL A 104 -7.781 16.620 -15.692 1.00 44.54 H new ATOM 0 HG11 VAL A 104 -9.625 17.755 -16.861 1.00 51.34 H new ATOM 0 HG12 VAL A 104 -8.057 18.531 -17.190 1.00 51.34 H new ATOM 0 HG13 VAL A 104 -8.804 17.479 -18.416 1.00 51.34 H new ATOM 0 HG21 VAL A 104 -9.747 15.328 -16.414 1.00 74.22 H new ATOM 0 HG22 VAL A 104 -8.930 14.953 -17.951 1.00 74.22 H new ATOM 0 HG23 VAL A 104 -8.268 14.338 -16.418 1.00 74.22 H new ATOM 1741 N LYS A 105 -6.743 14.936 -19.461 1.00 70.12 N ATOM 1742 CA LYS A 105 -6.917 14.717 -20.892 1.00 41.43 C ATOM 1743 C LYS A 105 -8.395 14.585 -21.247 1.00 5.31 C ATOM 1744 O LYS A 105 -9.160 13.947 -20.526 1.00 21.43 O ATOM 1745 CB LYS A 105 -6.161 13.462 -21.333 1.00 35.51 C ATOM 1746 CG LYS A 105 -4.669 13.680 -21.509 1.00 42.14 C ATOM 1747 CD LYS A 105 -4.365 14.448 -22.785 1.00 23.20 C ATOM 1748 CE LYS A 105 -4.530 13.570 -24.016 1.00 51.44 C ATOM 1749 NZ LYS A 105 -5.008 14.349 -25.192 1.00 42.33 N ATOM 0 H LYS A 105 -6.614 14.083 -18.917 1.00 70.12 H new ATOM 0 HA LYS A 105 -6.511 15.581 -21.418 1.00 41.43 H new ATOM 0 HB2 LYS A 105 -6.320 12.675 -20.596 1.00 35.51 H new ATOM 0 HB3 LYS A 105 -6.581 13.107 -22.274 1.00 35.51 H new ATOM 0 HG2 LYS A 105 -4.277 14.227 -20.652 1.00 42.14 H new ATOM 0 HG3 LYS A 105 -4.160 12.717 -21.533 1.00 42.14 H new ATOM 0 HD2 LYS A 105 -5.029 15.309 -22.859 1.00 23.20 H new ATOM 0 HD3 LYS A 105 -3.346 14.833 -22.745 1.00 23.20 H new ATOM 0 HE2 LYS A 105 -3.577 13.098 -24.256 1.00 51.44 H new ATOM 0 HE3 LYS A 105 -5.237 12.769 -23.799 1.00 51.44 H new ATOM 0 HZ1 LYS A 105 -5.108 13.715 -26.011 1.00 42.33 H new ATOM 0 HZ2 LYS A 105 -5.929 14.779 -24.972 1.00 42.33 H new ATOM 0 HZ3 LYS A 105 -4.321 15.097 -25.415 1.00 42.33 H new ATOM 1763 N GLU A 106 -8.787 15.192 -22.363 1.00 14.24 N ATOM 1764 CA GLU A 106 -10.174 15.141 -22.812 1.00 23.31 C ATOM 1765 C GLU A 106 -10.500 13.777 -23.415 1.00 0.24 C ATOM 1766 O GLU A 106 -9.698 13.203 -24.151 1.00 43.42 O ATOM 1767 CB GLU A 106 -10.441 16.242 -23.840 1.00 11.12 C ATOM 1768 CG GLU A 106 -10.721 17.600 -23.218 1.00 71.11 C ATOM 1769 CD GLU A 106 -10.848 18.701 -24.253 1.00 73.43 C ATOM 1770 OE1 GLU A 106 -10.542 18.440 -25.436 1.00 13.01 O ATOM 1771 OE2 GLU A 106 -11.253 19.822 -23.882 1.00 31.34 O ATOM 0 H GLU A 106 -8.165 15.724 -22.972 1.00 14.24 H new ATOM 0 HA GLU A 106 -10.816 15.299 -21.946 1.00 23.31 H new ATOM 0 HB2 GLU A 106 -9.579 16.326 -24.502 1.00 11.12 H new ATOM 0 HB3 GLU A 106 -11.291 15.952 -24.458 1.00 11.12 H new ATOM 0 HG2 GLU A 106 -11.641 17.546 -22.636 1.00 71.11 H new ATOM 0 HG3 GLU A 106 -9.919 17.850 -22.524 1.00 71.11 H new ATOM 1778 N VAL A 107 -11.684 13.264 -23.095 1.00 62.34 N ATOM 1779 CA VAL A 107 -12.118 11.968 -23.605 1.00 3.32 C ATOM 1780 C VAL A 107 -13.234 12.127 -24.631 1.00 12.23 C ATOM 1781 O VAL A 107 -14.134 12.951 -24.463 1.00 4.51 O ATOM 1782 CB VAL A 107 -12.607 11.053 -22.467 1.00 14.11 C ATOM 1783 CG1 VAL A 107 -13.623 10.048 -22.989 1.00 51.41 C ATOM 1784 CG2 VAL A 107 -11.432 10.344 -21.811 1.00 73.21 C ATOM 0 H VAL A 107 -12.359 13.725 -22.486 1.00 62.34 H new ATOM 0 HA VAL A 107 -11.252 11.509 -24.083 1.00 3.32 H new ATOM 0 HB VAL A 107 -13.096 11.670 -21.713 1.00 14.11 H new ATOM 0 HG11 VAL A 107 -13.957 9.410 -22.171 1.00 51.41 H new ATOM 0 HG12 VAL A 107 -14.478 10.579 -23.408 1.00 51.41 H new ATOM 0 HG13 VAL A 107 -13.163 9.434 -23.763 1.00 51.41 H new ATOM 0 HG21 VAL A 107 -11.796 9.702 -21.009 1.00 73.21 H new ATOM 0 HG22 VAL A 107 -10.912 9.738 -22.553 1.00 73.21 H new ATOM 0 HG23 VAL A 107 -10.745 11.083 -21.400 1.00 73.21 H new ATOM 1794 N HIS A 108 -13.171 11.332 -25.694 1.00 41.11 N ATOM 1795 CA HIS A 108 -14.178 11.383 -26.748 1.00 41.40 C ATOM 1796 C HIS A 108 -14.831 10.018 -26.943 1.00 2.24 C ATOM 1797 O HIS A 108 -14.459 9.044 -26.289 1.00 51.04 O ATOM 1798 CB HIS A 108 -13.550 11.853 -28.060 1.00 64.14 C ATOM 1799 CG HIS A 108 -13.354 13.336 -28.134 1.00 50.01 C ATOM 1800 ND1 HIS A 108 -14.295 14.242 -27.692 1.00 51.04 N ATOM 1801 CD2 HIS A 108 -12.317 14.070 -28.600 1.00 42.21 C ATOM 1802 CE1 HIS A 108 -13.846 15.469 -27.885 1.00 41.33 C ATOM 1803 NE2 HIS A 108 -12.647 15.393 -28.434 1.00 71.35 N ATOM 0 H HIS A 108 -12.433 10.645 -25.849 1.00 41.11 H new ATOM 0 HA HIS A 108 -14.947 12.094 -26.447 1.00 41.40 H new ATOM 0 HB2 HIS A 108 -12.586 11.361 -28.188 1.00 64.14 H new ATOM 0 HB3 HIS A 108 -14.182 11.537 -28.890 1.00 64.14 H new ATOM 0 HD2 HIS A 108 -11.400 13.687 -29.024 1.00 42.21 H new ATOM 0 HE1 HIS A 108 -14.370 16.380 -27.636 1.00 41.33 H new ATOM 0 HE2 HIS A 108 -12.062 16.187 -28.693 1.00 71.35 H new ATOM 1811 N GLU A 109 -15.806 9.957 -27.844 1.00 63.14 N ATOM 1812 CA GLU A 109 -16.511 8.711 -28.123 1.00 4.13 C ATOM 1813 C GLU A 109 -15.673 7.800 -29.015 1.00 21.51 C ATOM 1814 O GLU A 109 -15.316 8.167 -30.133 1.00 44.44 O ATOM 1815 CB GLU A 109 -17.857 8.999 -28.790 1.00 40.11 C ATOM 1816 CG GLU A 109 -18.733 9.960 -28.004 1.00 1.01 C ATOM 1817 CD GLU A 109 -20.184 9.523 -27.959 1.00 72.12 C ATOM 1818 OE1 GLU A 109 -20.525 8.681 -27.103 1.00 22.25 O ATOM 1819 OE2 GLU A 109 -20.980 10.024 -28.782 1.00 25.04 O ATOM 0 H GLU A 109 -16.126 10.755 -28.393 1.00 63.14 H new ATOM 0 HA GLU A 109 -16.685 8.202 -27.175 1.00 4.13 H new ATOM 0 HB2 GLU A 109 -17.680 9.412 -29.783 1.00 40.11 H new ATOM 0 HB3 GLU A 109 -18.394 8.060 -28.926 1.00 40.11 H new ATOM 0 HG2 GLU A 109 -18.351 10.044 -26.987 1.00 1.01 H new ATOM 0 HG3 GLU A 109 -18.670 10.952 -28.451 1.00 1.01 H new ATOM 1826 N GLU A 110 -15.363 6.609 -28.510 1.00 54.23 N ATOM 1827 CA GLU A 110 -14.567 5.646 -29.261 1.00 24.20 C ATOM 1828 C GLU A 110 -14.210 4.442 -28.394 1.00 23.11 C ATOM 1829 O GLU A 110 -14.761 4.260 -27.308 1.00 73.44 O ATOM 1830 CB GLU A 110 -13.290 6.306 -29.787 1.00 32.22 C ATOM 1831 CG GLU A 110 -13.152 6.245 -31.299 1.00 12.32 C ATOM 1832 CD GLU A 110 -11.796 5.731 -31.741 1.00 3.34 C ATOM 1833 OE1 GLU A 110 -10.789 6.082 -31.091 1.00 4.23 O ATOM 1834 OE2 GLU A 110 -11.741 4.979 -32.736 1.00 10.13 O ATOM 0 H GLU A 110 -15.651 6.289 -27.585 1.00 54.23 H new ATOM 0 HA GLU A 110 -15.163 5.300 -30.106 1.00 24.20 H new ATOM 0 HB2 GLU A 110 -13.273 7.349 -29.471 1.00 32.22 H new ATOM 0 HB3 GLU A 110 -12.426 5.821 -29.332 1.00 32.22 H new ATOM 0 HG2 GLU A 110 -13.931 5.600 -31.705 1.00 12.32 H new ATOM 0 HG3 GLU A 110 -13.313 7.240 -31.715 1.00 12.32 H new ATOM 1841 N TYR A 111 -13.284 3.623 -28.881 1.00 53.14 N ATOM 1842 CA TYR A 111 -12.855 2.435 -28.153 1.00 73.25 C ATOM 1843 C TYR A 111 -11.389 2.544 -27.748 1.00 45.12 C ATOM 1844 O TYR A 111 -10.516 1.926 -28.359 1.00 13.20 O ATOM 1845 CB TYR A 111 -13.068 1.184 -29.007 1.00 71.42 C ATOM 1846 CG TYR A 111 -14.494 1.009 -29.480 1.00 65.52 C ATOM 1847 CD1 TYR A 111 -15.431 0.351 -28.694 1.00 75.33 C ATOM 1848 CD2 TYR A 111 -14.902 1.502 -30.713 1.00 55.11 C ATOM 1849 CE1 TYR A 111 -16.735 0.188 -29.123 1.00 25.10 C ATOM 1850 CE2 TYR A 111 -16.204 1.345 -31.149 1.00 41.33 C ATOM 1851 CZ TYR A 111 -17.116 0.687 -30.351 1.00 0.11 C ATOM 1852 OH TYR A 111 -18.413 0.528 -30.781 1.00 15.21 O ATOM 0 H TYR A 111 -12.816 3.760 -29.777 1.00 53.14 H new ATOM 0 HA TYR A 111 -13.458 2.357 -27.248 1.00 73.25 H new ATOM 0 HB2 TYR A 111 -12.409 1.230 -29.874 1.00 71.42 H new ATOM 0 HB3 TYR A 111 -12.775 0.307 -28.431 1.00 71.42 H new ATOM 0 HD1 TYR A 111 -15.136 -0.040 -27.731 1.00 75.33 H new ATOM 0 HD2 TYR A 111 -14.190 2.016 -31.341 1.00 55.11 H new ATOM 0 HE1 TYR A 111 -17.451 -0.327 -28.500 1.00 25.10 H new ATOM 0 HE2 TYR A 111 -16.506 1.736 -32.110 1.00 41.33 H new ATOM 0 HH TYR A 111 -18.517 0.938 -31.665 1.00 15.21 H new ATOM 1862 N ASP A 112 -11.125 3.334 -26.713 1.00 51.23 N ATOM 1863 CA ASP A 112 -9.765 3.525 -26.223 1.00 63.55 C ATOM 1864 C ASP A 112 -9.622 3.001 -24.798 1.00 33.03 C ATOM 1865 O ASP A 112 -9.075 1.920 -24.573 1.00 53.45 O ATOM 1866 CB ASP A 112 -9.383 5.005 -26.277 1.00 60.40 C ATOM 1867 CG ASP A 112 -8.084 5.294 -25.550 1.00 53.25 C ATOM 1868 OD1 ASP A 112 -7.010 5.123 -26.164 1.00 42.20 O ATOM 1869 OD2 ASP A 112 -8.142 5.693 -24.369 1.00 33.24 O ATOM 0 H ASP A 112 -11.836 3.853 -26.197 1.00 51.23 H new ATOM 0 HA ASP A 112 -9.091 2.961 -26.867 1.00 63.55 H new ATOM 0 HB2 ASP A 112 -9.291 5.316 -27.318 1.00 60.40 H new ATOM 0 HB3 ASP A 112 -10.183 5.600 -25.836 1.00 60.40 H new ATOM 1874 N LEU A 113 -10.117 3.774 -23.837 1.00 62.11 N ATOM 1875 CA LEU A 113 -10.044 3.389 -22.432 1.00 20.01 C ATOM 1876 C LEU A 113 -10.748 2.056 -22.195 1.00 44.52 C ATOM 1877 O LEU A 113 -11.211 1.412 -23.136 1.00 50.53 O ATOM 1878 CB LEU A 113 -10.670 4.473 -21.553 1.00 35.33 C ATOM 1879 CG LEU A 113 -12.009 5.035 -22.032 1.00 51.11 C ATOM 1880 CD1 LEU A 113 -12.967 5.202 -20.863 1.00 74.21 C ATOM 1881 CD2 LEU A 113 -11.804 6.361 -22.749 1.00 52.54 C ATOM 0 H LEU A 113 -10.573 4.671 -24.005 1.00 62.11 H new ATOM 0 HA LEU A 113 -8.993 3.276 -22.166 1.00 20.01 H new ATOM 0 HB2 LEU A 113 -10.807 4.066 -20.551 1.00 35.33 H new ATOM 0 HB3 LEU A 113 -9.962 5.298 -21.468 1.00 35.33 H new ATOM 0 HG LEU A 113 -12.447 4.328 -22.736 1.00 51.11 H new ATOM 0 HD11 LEU A 113 -13.914 5.603 -21.223 1.00 74.21 H new ATOM 0 HD12 LEU A 113 -13.138 4.234 -20.392 1.00 74.21 H new ATOM 0 HD13 LEU A 113 -12.536 5.889 -20.135 1.00 74.21 H new ATOM 0 HD21 LEU A 113 -12.767 6.747 -23.083 1.00 52.54 H new ATOM 0 HD22 LEU A 113 -11.344 7.076 -22.067 1.00 52.54 H new ATOM 0 HD23 LEU A 113 -11.154 6.212 -23.611 1.00 52.54 H new ATOM 1893 N TRP A 114 -10.825 1.651 -20.933 1.00 71.41 N ATOM 1894 CA TRP A 114 -11.475 0.395 -20.573 1.00 4.44 C ATOM 1895 C TRP A 114 -12.946 0.410 -20.971 1.00 71.24 C ATOM 1896 O TRP A 114 -13.471 -0.583 -21.475 1.00 1.31 O ATOM 1897 CB TRP A 114 -11.343 0.143 -19.070 1.00 31.42 C ATOM 1898 CG TRP A 114 -9.943 -0.180 -18.642 1.00 74.10 C ATOM 1899 CD1 TRP A 114 -9.246 0.396 -17.619 1.00 20.54 C ATOM 1900 CD2 TRP A 114 -9.071 -1.153 -19.228 1.00 10.35 C ATOM 1901 NE1 TRP A 114 -7.992 -0.161 -17.533 1.00 15.34 N ATOM 1902 CE2 TRP A 114 -7.861 -1.114 -18.508 1.00 3.51 C ATOM 1903 CE3 TRP A 114 -9.195 -2.054 -20.288 1.00 70.20 C ATOM 1904 CZ2 TRP A 114 -6.784 -1.940 -18.817 1.00 70.33 C ATOM 1905 CZ3 TRP A 114 -8.125 -2.874 -20.594 1.00 55.10 C ATOM 1906 CH2 TRP A 114 -6.933 -2.813 -19.861 1.00 31.24 C ATOM 0 H TRP A 114 -10.446 2.172 -20.142 1.00 71.41 H new ATOM 0 HA TRP A 114 -10.980 -0.411 -21.115 1.00 4.44 H new ATOM 0 HB2 TRP A 114 -11.686 1.025 -18.530 1.00 31.42 H new ATOM 0 HB3 TRP A 114 -12.000 -0.679 -18.788 1.00 31.42 H new ATOM 0 HD1 TRP A 114 -9.624 1.174 -16.973 1.00 20.54 H new ATOM 0 HE1 TRP A 114 -7.275 0.094 -16.853 1.00 15.34 H new ATOM 0 HE3 TRP A 114 -10.110 -2.109 -20.858 1.00 70.20 H new ATOM 0 HZ2 TRP A 114 -5.864 -1.894 -18.253 1.00 70.33 H new ATOM 0 HZ3 TRP A 114 -8.210 -3.574 -21.412 1.00 55.10 H new ATOM 0 HH2 TRP A 114 -6.115 -3.468 -20.125 1.00 31.24 H new ATOM 1917 N GLU A 115 -13.606 1.541 -20.743 1.00 41.10 N ATOM 1918 CA GLU A 115 -15.018 1.682 -21.079 1.00 2.42 C ATOM 1919 C GLU A 115 -15.831 0.524 -20.509 1.00 71.54 C ATOM 1920 O GLU A 115 -16.419 -0.261 -21.254 1.00 13.11 O ATOM 1921 CB GLU A 115 -15.200 1.750 -22.597 1.00 4.14 C ATOM 1922 CG GLU A 115 -15.045 3.150 -23.166 1.00 41.13 C ATOM 1923 CD GLU A 115 -16.369 3.758 -23.587 1.00 3.42 C ATOM 1924 OE1 GLU A 115 -16.869 3.397 -24.673 1.00 4.02 O ATOM 1925 OE2 GLU A 115 -16.904 4.595 -22.831 1.00 15.51 O ATOM 0 H GLU A 115 -13.186 2.372 -20.327 1.00 41.10 H new ATOM 0 HA GLU A 115 -15.380 2.610 -20.636 1.00 2.42 H new ATOM 0 HB2 GLU A 115 -14.473 1.091 -23.072 1.00 4.14 H new ATOM 0 HB3 GLU A 115 -16.189 1.370 -22.853 1.00 4.14 H new ATOM 0 HG2 GLU A 115 -14.576 3.791 -22.420 1.00 41.13 H new ATOM 0 HG3 GLU A 115 -14.375 3.117 -24.025 1.00 41.13 H new ATOM 1932 N ASP A 116 -15.859 0.423 -19.185 1.00 64.41 N ATOM 1933 CA ASP A 116 -16.599 -0.640 -18.514 1.00 55.55 C ATOM 1934 C ASP A 116 -16.493 -0.503 -16.999 1.00 14.31 C ATOM 1935 O ASP A 116 -17.487 -0.312 -16.297 1.00 41.32 O ATOM 1936 CB ASP A 116 -16.079 -2.009 -18.953 1.00 62.10 C ATOM 1937 CG ASP A 116 -17.087 -2.771 -19.791 1.00 11.23 C ATOM 1938 OD1 ASP A 116 -18.223 -2.973 -19.313 1.00 74.23 O ATOM 1939 OD2 ASP A 116 -16.740 -3.164 -20.924 1.00 12.30 O ATOM 0 H ASP A 116 -15.378 1.064 -18.555 1.00 64.41 H new ATOM 0 HA ASP A 116 -17.648 -0.552 -18.796 1.00 55.55 H new ATOM 0 HB2 ASP A 116 -15.160 -1.879 -19.525 1.00 62.10 H new ATOM 0 HB3 ASP A 116 -15.825 -2.598 -18.071 1.00 62.10 H new ATOM 1944 N PRO A 117 -15.261 -0.603 -16.480 1.00 64.41 N ATOM 1945 CA PRO A 117 -14.995 -0.494 -15.043 1.00 33.55 C ATOM 1946 C PRO A 117 -15.206 0.923 -14.520 1.00 24.50 C ATOM 1947 O PRO A 117 -15.917 1.132 -13.537 1.00 4.23 O ATOM 1948 CB PRO A 117 -13.523 -0.896 -14.922 1.00 51.11 C ATOM 1949 CG PRO A 117 -12.936 -0.586 -16.256 1.00 22.53 C ATOM 1950 CD PRO A 117 -14.031 -0.831 -17.257 1.00 44.11 C ATOM 0 HA PRO A 117 -15.670 -1.117 -14.456 1.00 33.55 H new ATOM 0 HB2 PRO A 117 -13.024 -0.338 -14.130 1.00 51.11 H new ATOM 0 HB3 PRO A 117 -13.420 -1.954 -14.680 1.00 51.11 H new ATOM 0 HG2 PRO A 117 -12.591 0.447 -16.300 1.00 22.53 H new ATOM 0 HG3 PRO A 117 -12.073 -1.219 -16.459 1.00 22.53 H new ATOM 0 HD2 PRO A 117 -13.960 -0.150 -18.105 1.00 44.11 H new ATOM 0 HD3 PRO A 117 -13.990 -1.844 -17.657 1.00 44.11 H new ATOM 1958 N ILE A 118 -14.584 1.891 -15.184 1.00 2.24 N ATOM 1959 CA ILE A 118 -14.705 3.288 -14.786 1.00 42.31 C ATOM 1960 C ILE A 118 -15.993 3.903 -15.323 1.00 60.00 C ATOM 1961 O ILE A 118 -16.374 5.007 -14.935 1.00 51.44 O ATOM 1962 CB ILE A 118 -13.507 4.120 -15.281 1.00 51.32 C ATOM 1963 CG1 ILE A 118 -13.016 3.594 -16.631 1.00 63.22 C ATOM 1964 CG2 ILE A 118 -12.384 4.094 -14.256 1.00 23.24 C ATOM 1965 CD1 ILE A 118 -14.100 3.524 -17.684 1.00 31.05 C ATOM 0 H ILE A 118 -13.992 1.734 -15.999 1.00 2.24 H new ATOM 0 HA ILE A 118 -14.724 3.305 -13.696 1.00 42.31 H new ATOM 0 HB ILE A 118 -13.830 5.153 -15.410 1.00 51.32 H new ATOM 0 HG12 ILE A 118 -12.212 4.236 -16.991 1.00 63.22 H new ATOM 0 HG13 ILE A 118 -12.592 2.600 -16.492 1.00 63.22 H new ATOM 0 HG21 ILE A 118 -11.545 4.686 -14.621 1.00 23.24 H new ATOM 0 HG22 ILE A 118 -12.741 4.511 -13.315 1.00 23.24 H new ATOM 0 HG23 ILE A 118 -12.060 3.065 -14.097 1.00 23.24 H new ATOM 0 HD11 ILE A 118 -13.679 3.142 -18.614 1.00 31.05 H new ATOM 0 HD12 ILE A 118 -14.894 2.859 -17.345 1.00 31.05 H new ATOM 0 HD13 ILE A 118 -14.509 4.520 -17.852 1.00 31.05 H new ATOM 1977 N TRP A 119 -16.660 3.180 -16.215 1.00 63.32 N ATOM 1978 CA TRP A 119 -17.907 3.653 -16.804 1.00 51.34 C ATOM 1979 C TRP A 119 -19.099 3.276 -15.932 1.00 0.14 C ATOM 1980 O TRP A 119 -20.107 3.982 -15.905 1.00 70.50 O ATOM 1981 CB TRP A 119 -18.084 3.074 -18.209 1.00 30.02 C ATOM 1982 CG TRP A 119 -19.416 3.390 -18.818 1.00 74.21 C ATOM 1983 CD1 TRP A 119 -20.297 2.503 -19.368 1.00 61.35 C ATOM 1984 CD2 TRP A 119 -20.018 4.683 -18.940 1.00 41.33 C ATOM 1985 NE1 TRP A 119 -21.410 3.167 -19.825 1.00 64.15 N ATOM 1986 CE2 TRP A 119 -21.263 4.505 -19.574 1.00 14.41 C ATOM 1987 CE3 TRP A 119 -19.627 5.974 -18.574 1.00 62.05 C ATOM 1988 CZ2 TRP A 119 -22.117 5.570 -19.849 1.00 40.33 C ATOM 1989 CZ3 TRP A 119 -20.475 7.030 -18.849 1.00 21.13 C ATOM 1990 CH2 TRP A 119 -21.709 6.823 -19.480 1.00 44.22 C ATOM 0 H TRP A 119 -16.358 2.264 -16.546 1.00 63.32 H new ATOM 0 HA TRP A 119 -17.858 4.740 -16.870 1.00 51.34 H new ATOM 0 HB2 TRP A 119 -17.296 3.461 -18.855 1.00 30.02 H new ATOM 0 HB3 TRP A 119 -17.959 1.992 -18.167 1.00 30.02 H new ATOM 0 HD1 TRP A 119 -20.142 1.436 -19.434 1.00 61.35 H new ATOM 0 HE1 TRP A 119 -22.215 2.734 -20.278 1.00 64.15 H new ATOM 0 HE3 TRP A 119 -18.679 6.143 -18.085 1.00 62.05 H new ATOM 0 HZ2 TRP A 119 -23.068 5.413 -20.336 1.00 40.33 H new ATOM 0 HZ3 TRP A 119 -20.182 8.032 -18.573 1.00 21.13 H new ATOM 0 HH2 TRP A 119 -22.350 7.669 -19.679 1.00 44.22 H new ATOM 2001 N GLN A 120 -18.976 2.161 -15.219 1.00 71.34 N ATOM 2002 CA GLN A 120 -20.045 1.691 -14.346 1.00 21.01 C ATOM 2003 C GLN A 120 -19.943 2.334 -12.967 1.00 15.40 C ATOM 2004 O GLN A 120 -20.725 3.223 -12.627 1.00 3.14 O ATOM 2005 CB GLN A 120 -19.994 0.168 -14.216 1.00 63.30 C ATOM 2006 CG GLN A 120 -20.945 -0.386 -13.167 1.00 4.30 C ATOM 2007 CD GLN A 120 -22.318 0.253 -13.229 1.00 1.52 C ATOM 2008 OE1 GLN A 120 -22.863 0.680 -12.211 1.00 10.34 O ATOM 2009 NE2 GLN A 120 -22.885 0.323 -14.427 1.00 53.14 N ATOM 0 H GLN A 120 -18.147 1.567 -15.229 1.00 71.34 H new ATOM 0 HA GLN A 120 -20.997 1.979 -14.792 1.00 21.01 H new ATOM 0 HB2 GLN A 120 -20.231 -0.279 -15.181 1.00 63.30 H new ATOM 0 HB3 GLN A 120 -18.976 -0.133 -13.967 1.00 63.30 H new ATOM 0 HG2 GLN A 120 -21.043 -1.463 -13.304 1.00 4.30 H new ATOM 0 HG3 GLN A 120 -20.519 -0.228 -12.176 1.00 4.30 H new ATOM 0 HE21 GLN A 120 -22.397 -0.044 -15.244 1.00 53.14 H new ATOM 0 HE22 GLN A 120 -23.809 0.743 -14.530 1.00 53.14 H new ATOM 2018 N TYR A 121 -18.977 1.880 -12.177 1.00 62.14 N ATOM 2019 CA TYR A 121 -18.775 2.409 -10.834 1.00 10.41 C ATOM 2020 C TYR A 121 -17.371 2.091 -10.328 1.00 35.31 C ATOM 2021 O TYR A 121 -16.575 1.463 -11.027 1.00 13.20 O ATOM 2022 CB TYR A 121 -19.818 1.834 -9.874 1.00 51.23 C ATOM 2023 CG TYR A 121 -20.284 2.818 -8.825 1.00 43.42 C ATOM 2024 CD1 TYR A 121 -20.989 3.961 -9.181 1.00 41.54 C ATOM 2025 CD2 TYR A 121 -20.018 2.606 -7.478 1.00 42.02 C ATOM 2026 CE1 TYR A 121 -21.416 4.864 -8.227 1.00 3.05 C ATOM 2027 CE2 TYR A 121 -20.442 3.502 -6.516 1.00 50.34 C ATOM 2028 CZ TYR A 121 -21.140 4.630 -6.895 1.00 74.35 C ATOM 2029 OH TYR A 121 -21.563 5.526 -5.941 1.00 34.35 O ATOM 0 H TYR A 121 -18.321 1.146 -12.444 1.00 62.14 H new ATOM 0 HA TYR A 121 -18.889 3.492 -10.877 1.00 10.41 H new ATOM 0 HB2 TYR A 121 -20.679 1.493 -10.449 1.00 51.23 H new ATOM 0 HB3 TYR A 121 -19.399 0.958 -9.378 1.00 51.23 H new ATOM 0 HD1 TYR A 121 -21.207 4.147 -10.222 1.00 41.54 H new ATOM 0 HD2 TYR A 121 -19.470 1.725 -7.178 1.00 42.02 H new ATOM 0 HE1 TYR A 121 -21.962 5.748 -8.521 1.00 3.05 H new ATOM 0 HE2 TYR A 121 -20.228 3.321 -5.473 1.00 50.34 H new ATOM 0 HH TYR A 121 -21.289 5.213 -5.054 1.00 34.35 H new ATOM 2039 N ILE A 122 -17.076 2.527 -9.108 1.00 53.11 N ATOM 2040 CA ILE A 122 -15.770 2.287 -8.507 1.00 13.42 C ATOM 2041 C ILE A 122 -15.397 0.810 -8.573 1.00 15.31 C ATOM 2042 O ILE A 122 -15.960 -0.016 -7.854 1.00 2.21 O ATOM 2043 CB ILE A 122 -15.733 2.749 -7.038 1.00 54.41 C ATOM 2044 CG1 ILE A 122 -16.039 4.246 -6.943 1.00 74.45 C ATOM 2045 CG2 ILE A 122 -14.378 2.440 -6.420 1.00 12.34 C ATOM 2046 CD1 ILE A 122 -16.679 4.650 -5.633 1.00 65.14 C ATOM 0 H ILE A 122 -17.723 3.048 -8.517 1.00 53.11 H new ATOM 0 HA ILE A 122 -15.047 2.868 -9.081 1.00 13.42 H new ATOM 0 HB ILE A 122 -16.497 2.205 -6.482 1.00 54.41 H new ATOM 0 HG12 ILE A 122 -15.114 4.807 -7.074 1.00 74.45 H new ATOM 0 HG13 ILE A 122 -16.700 4.526 -7.763 1.00 74.45 H new ATOM 0 HG21 ILE A 122 -14.367 2.772 -5.382 1.00 12.34 H new ATOM 0 HG22 ILE A 122 -14.197 1.366 -6.459 1.00 12.34 H new ATOM 0 HG23 ILE A 122 -13.598 2.960 -6.976 1.00 12.34 H new ATOM 0 HD11 ILE A 122 -16.868 5.724 -5.636 1.00 65.14 H new ATOM 0 HD12 ILE A 122 -17.621 4.116 -5.509 1.00 65.14 H new ATOM 0 HD13 ILE A 122 -16.010 4.401 -4.809 1.00 65.14 H new