USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 GLN :FLIP amide:sc= 0.419 F(o=0.0047,f=0.87) USER MOD Set 2.2: A 61 SER OG : rot -169:sc= 0.453 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -114:sc= -0.0425 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= -1.06 (180deg=-3.36!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 39:sc= 1.13 USER MOD Single : A 45 TYR OH : rot 115:sc= 0.914 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -121:sc= 0.985 (180deg=-0.0552) USER MOD Single : A 52 GLN : amide:sc= -0.0431 K(o=-0.043,f=-0.92) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0542 X(o=-0.054,f=0) USER MOD Single : A 73 CYS SG : rot -44:sc= -0.103 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 140:sc= -1.95 (180deg=-4.15!) USER MOD Single : A 81 GLN : amide:sc= -1.69 X(o=-1.7,f=-1.2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 86 TYR OH : rot 80:sc= -0.148 USER MOD Single : A 89 GLN : amide:sc= 0.00243 X(o=0.0024,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 95 HIS : no HD1:sc= -0.0139 K(o=-0.014,f=-0.64) USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= 0.122 (180deg=0.0822) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.589 -2.037 18.769 1.00 0.00 N ATOM 2 CA GLY A 1 7.913 -2.618 18.895 1.00 0.00 C ATOM 3 C GLY A 1 8.195 -3.118 20.298 1.00 0.00 C ATOM 4 O GLY A 1 8.471 -2.329 21.202 1.00 0.00 O ATOM 0 H1 GLY A 1 6.445 -1.710 17.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.872 -2.753 19.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.500 -1.231 19.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.012 -3.444 18.191 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.661 -1.874 18.621 1.00 0.00 H new ATOM 8 N SER A 2 8.125 -4.433 20.481 1.00 0.00 N ATOM 9 CA SER A 2 8.371 -5.037 21.785 1.00 0.00 C ATOM 10 C SER A 2 9.357 -6.196 21.671 1.00 0.00 C ATOM 11 O SER A 2 9.379 -6.909 20.668 1.00 0.00 O ATOM 12 CB SER A 2 7.058 -5.529 22.398 1.00 0.00 C ATOM 13 OG SER A 2 6.230 -4.441 22.772 1.00 0.00 O ATOM 0 H SER A 2 7.900 -5.100 19.743 1.00 0.00 H new ATOM 0 HA SER A 2 8.805 -4.276 22.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.533 -6.160 21.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.270 -6.146 23.271 1.00 0.00 H new ATOM 0 HG SER A 2 5.397 -4.782 23.159 1.00 0.00 H new ATOM 19 N SER A 3 10.171 -6.377 22.706 1.00 0.00 N ATOM 20 CA SER A 3 11.162 -7.446 22.721 1.00 0.00 C ATOM 21 C SER A 3 10.487 -8.812 22.777 1.00 0.00 C ATOM 22 O SER A 3 9.961 -9.216 23.814 1.00 0.00 O ATOM 23 CB SER A 3 12.103 -7.280 23.916 1.00 0.00 C ATOM 24 OG SER A 3 13.001 -8.372 24.013 1.00 0.00 O ATOM 0 H SER A 3 10.164 -5.797 23.545 1.00 0.00 H new ATOM 0 HA SER A 3 11.741 -7.384 21.800 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.664 -6.351 23.815 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.520 -7.202 24.834 1.00 0.00 H new ATOM 0 HG SER A 3 13.593 -8.242 24.783 1.00 0.00 H new ATOM 30 N GLY A 4 10.505 -9.521 21.652 1.00 0.00 N ATOM 31 CA GLY A 4 9.892 -10.835 21.593 1.00 0.00 C ATOM 32 C GLY A 4 8.463 -10.786 21.089 1.00 0.00 C ATOM 33 O GLY A 4 7.523 -10.671 21.877 1.00 0.00 O ATOM 0 H GLY A 4 10.933 -9.209 20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.482 -11.479 20.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.909 -11.285 22.586 1.00 0.00 H new ATOM 37 N SER A 5 8.298 -10.871 19.773 1.00 0.00 N ATOM 38 CA SER A 5 6.974 -10.830 19.165 1.00 0.00 C ATOM 39 C SER A 5 7.016 -11.361 17.735 1.00 0.00 C ATOM 40 O SER A 5 8.060 -11.338 17.083 1.00 0.00 O ATOM 41 CB SER A 5 6.430 -9.400 19.173 1.00 0.00 C ATOM 42 OG SER A 5 7.117 -8.587 18.238 1.00 0.00 O ATOM 0 H SER A 5 9.065 -10.969 19.108 1.00 0.00 H new ATOM 0 HA SER A 5 6.312 -11.467 19.752 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.366 -9.411 18.937 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.530 -8.975 20.172 1.00 0.00 H new ATOM 0 HG SER A 5 6.749 -7.679 18.262 1.00 0.00 H new ATOM 48 N SER A 6 5.873 -11.841 17.255 1.00 0.00 N ATOM 49 CA SER A 6 5.779 -12.382 15.904 1.00 0.00 C ATOM 50 C SER A 6 4.323 -12.617 15.513 1.00 0.00 C ATOM 51 O SER A 6 3.579 -13.293 16.222 1.00 0.00 O ATOM 52 CB SER A 6 6.564 -13.691 15.801 1.00 0.00 C ATOM 53 OG SER A 6 6.470 -14.241 14.498 1.00 0.00 O ATOM 0 H SER A 6 5.000 -11.866 17.781 1.00 0.00 H new ATOM 0 HA SER A 6 6.209 -11.653 15.216 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.610 -13.512 16.049 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.182 -14.406 16.529 1.00 0.00 H new ATOM 0 HG SER A 6 6.981 -15.076 14.458 1.00 0.00 H new ATOM 59 N GLY A 7 3.923 -12.052 14.378 1.00 0.00 N ATOM 60 CA GLY A 7 2.558 -12.210 13.911 1.00 0.00 C ATOM 61 C GLY A 7 2.479 -12.428 12.413 1.00 0.00 C ATOM 62 O GLY A 7 2.513 -11.473 11.637 1.00 0.00 O ATOM 0 H GLY A 7 4.520 -11.488 13.773 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.098 -13.055 14.423 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.981 -11.324 14.177 1.00 0.00 H new ATOM 66 N MET A 8 2.376 -13.688 12.005 1.00 0.00 N ATOM 67 CA MET A 8 2.293 -14.028 10.589 1.00 0.00 C ATOM 68 C MET A 8 1.312 -15.174 10.362 1.00 0.00 C ATOM 69 O MET A 8 1.432 -16.236 10.972 1.00 0.00 O ATOM 70 CB MET A 8 3.674 -14.409 10.052 1.00 0.00 C ATOM 71 CG MET A 8 4.482 -13.221 9.556 1.00 0.00 C ATOM 72 SD MET A 8 3.741 -12.429 8.116 1.00 0.00 S ATOM 73 CE MET A 8 5.137 -11.504 7.482 1.00 0.00 C ATOM 0 H MET A 8 2.348 -14.490 12.634 1.00 0.00 H new ATOM 0 HA MET A 8 1.931 -13.152 10.051 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.233 -14.916 10.838 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.554 -15.122 9.236 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.577 -12.490 10.359 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.490 -13.551 9.305 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.836 -10.959 6.587 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.480 -10.799 8.239 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.946 -12.191 7.233 1.00 0.00 H new ATOM 83 N SER A 9 0.343 -14.952 9.480 1.00 0.00 N ATOM 84 CA SER A 9 -0.661 -15.965 9.175 1.00 0.00 C ATOM 85 C SER A 9 -0.835 -16.121 7.668 1.00 0.00 C ATOM 86 O SER A 9 -0.116 -15.504 6.881 1.00 0.00 O ATOM 87 CB SER A 9 -1.999 -15.597 9.819 1.00 0.00 C ATOM 88 OG SER A 9 -2.664 -14.591 9.074 1.00 0.00 O ATOM 0 H SER A 9 0.232 -14.079 8.964 1.00 0.00 H new ATOM 0 HA SER A 9 -0.318 -16.916 9.584 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.631 -16.483 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.832 -15.249 10.838 1.00 0.00 H new ATOM 0 HG SER A 9 -3.517 -14.375 9.505 1.00 0.00 H new ATOM 94 N LEU A 10 -1.794 -16.952 7.272 1.00 0.00 N ATOM 95 CA LEU A 10 -2.063 -17.191 5.859 1.00 0.00 C ATOM 96 C LEU A 10 -3.281 -16.398 5.395 1.00 0.00 C ATOM 97 O LEU A 10 -4.415 -16.720 5.747 1.00 0.00 O ATOM 98 CB LEU A 10 -2.287 -18.683 5.608 1.00 0.00 C ATOM 99 CG LEU A 10 -2.886 -19.477 6.770 1.00 0.00 C ATOM 100 CD1 LEU A 10 -3.629 -20.699 6.254 1.00 0.00 C ATOM 101 CD2 LEU A 10 -1.798 -19.887 7.752 1.00 0.00 C ATOM 0 H LEU A 10 -2.398 -17.471 7.910 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.196 -16.858 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.943 -18.791 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.331 -19.134 5.341 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.598 -18.839 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.048 -21.252 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.434 -20.382 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.938 -21.340 5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.242 -20.451 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.062 -20.508 7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.310 -18.996 8.147 1.00 0.00 H new ATOM 113 N SER A 11 -3.037 -15.359 4.602 1.00 0.00 N ATOM 114 CA SER A 11 -4.113 -14.519 4.091 1.00 0.00 C ATOM 115 C SER A 11 -4.538 -14.968 2.696 1.00 0.00 C ATOM 116 O SER A 11 -3.777 -15.623 1.984 1.00 0.00 O ATOM 117 CB SER A 11 -3.671 -13.054 4.054 1.00 0.00 C ATOM 118 OG SER A 11 -4.657 -12.239 3.443 1.00 0.00 O ATOM 0 H SER A 11 -2.104 -15.079 4.300 1.00 0.00 H new ATOM 0 HA SER A 11 -4.967 -14.618 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.481 -12.702 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.733 -12.968 3.506 1.00 0.00 H new ATOM 0 HG SER A 11 -4.309 -11.880 2.600 1.00 0.00 H new ATOM 124 N ASP A 12 -5.759 -14.612 2.313 1.00 0.00 N ATOM 125 CA ASP A 12 -6.287 -14.977 1.004 1.00 0.00 C ATOM 126 C ASP A 12 -5.976 -13.898 -0.028 1.00 0.00 C ATOM 127 O ASP A 12 -5.457 -14.187 -1.106 1.00 0.00 O ATOM 128 CB ASP A 12 -7.798 -15.204 1.084 1.00 0.00 C ATOM 129 CG ASP A 12 -8.153 -16.481 1.820 1.00 0.00 C ATOM 130 OD1 ASP A 12 -7.466 -17.501 1.605 1.00 0.00 O ATOM 131 OD2 ASP A 12 -9.119 -16.459 2.612 1.00 0.00 O ATOM 0 H ASP A 12 -6.402 -14.071 2.891 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.805 -15.903 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.264 -14.357 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.211 -15.242 0.076 1.00 0.00 H new ATOM 136 N TRP A 13 -6.299 -12.654 0.310 1.00 0.00 N ATOM 137 CA TRP A 13 -6.055 -11.531 -0.588 1.00 0.00 C ATOM 138 C TRP A 13 -4.616 -11.041 -0.468 1.00 0.00 C ATOM 139 O TRP A 13 -4.161 -10.681 0.618 1.00 0.00 O ATOM 140 CB TRP A 13 -7.024 -10.388 -0.283 1.00 0.00 C ATOM 141 CG TRP A 13 -6.747 -9.147 -1.077 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.673 -8.313 -0.947 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.558 -8.599 -2.121 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.768 -7.280 -1.848 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.915 -7.433 -2.581 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.765 -8.980 -2.715 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.439 -6.647 -3.604 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.284 -8.199 -3.730 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.622 -7.044 -4.167 1.00 0.00 C ATOM 0 H TRP A 13 -6.730 -12.398 1.198 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.218 -11.873 -1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.042 -10.721 -0.485 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.971 -10.150 0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.868 -8.446 -0.240 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.094 -6.522 -1.954 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.283 -9.869 -2.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.930 -5.756 -3.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.216 -8.484 -4.195 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.053 -6.456 -4.963 1.00 0.00 H new ATOM 160 N HIS A 14 -3.904 -11.028 -1.591 1.00 0.00 N ATOM 161 CA HIS A 14 -2.516 -10.580 -1.610 1.00 0.00 C ATOM 162 C HIS A 14 -2.307 -9.506 -2.674 1.00 0.00 C ATOM 163 O HIS A 14 -3.031 -9.453 -3.669 1.00 0.00 O ATOM 164 CB HIS A 14 -1.580 -11.761 -1.870 1.00 0.00 C ATOM 165 CG HIS A 14 -1.324 -12.013 -3.324 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.250 -12.598 -4.161 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.238 -11.755 -4.089 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.744 -12.690 -5.378 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.524 -12.185 -5.361 1.00 0.00 N ATOM 0 H HIS A 14 -4.265 -11.322 -2.498 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.285 -10.151 -0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.630 -11.578 -1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.008 -12.659 -1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.683 -11.296 -3.760 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.243 -13.107 -6.240 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.104 -12.124 -6.163 1.00 0.00 H new ATOM 178 N LEU A 15 -1.313 -8.651 -2.457 1.00 0.00 N ATOM 179 CA LEU A 15 -1.008 -7.578 -3.397 1.00 0.00 C ATOM 180 C LEU A 15 0.498 -7.363 -3.508 1.00 0.00 C ATOM 181 O LEU A 15 1.245 -7.640 -2.571 1.00 0.00 O ATOM 182 CB LEU A 15 -1.689 -6.280 -2.958 1.00 0.00 C ATOM 183 CG LEU A 15 -1.984 -5.269 -4.065 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.144 -5.742 -4.927 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.282 -3.900 -3.472 1.00 0.00 C ATOM 0 H LEU A 15 -0.705 -8.680 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.388 -7.867 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.628 -6.534 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.059 -5.797 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.100 -5.185 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.339 -5.009 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.892 -6.700 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.034 -5.857 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.490 -3.193 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.150 -3.969 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.420 -3.556 -2.900 1.00 0.00 H new ATOM 197 N ALA A 16 0.935 -6.864 -4.660 1.00 0.00 N ATOM 198 CA ALA A 16 2.351 -6.607 -4.892 1.00 0.00 C ATOM 199 C ALA A 16 2.713 -5.169 -4.540 1.00 0.00 C ATOM 200 O ALA A 16 1.886 -4.264 -4.656 1.00 0.00 O ATOM 201 CB ALA A 16 2.711 -6.905 -6.340 1.00 0.00 C ATOM 0 H ALA A 16 0.329 -6.630 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 16 2.926 -7.268 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.771 -6.709 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.499 -7.951 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.121 -6.269 -7.000 1.00 0.00 H new ATOM 207 N VAL A 17 3.954 -4.964 -4.109 1.00 0.00 N ATOM 208 CA VAL A 17 4.425 -3.634 -3.741 1.00 0.00 C ATOM 209 C VAL A 17 5.760 -3.320 -4.407 1.00 0.00 C ATOM 210 O VAL A 17 6.683 -4.135 -4.389 1.00 0.00 O ATOM 211 CB VAL A 17 4.580 -3.497 -2.214 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.171 -2.141 -1.858 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.242 -3.703 -1.523 1.00 0.00 C ATOM 0 H VAL A 17 4.651 -5.702 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 17 3.674 -2.924 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 17 5.266 -4.269 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.273 -2.062 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.151 -2.038 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.513 -1.351 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.370 -3.603 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.532 -2.955 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.864 -4.699 -1.752 1.00 0.00 H new ATOM 223 N LYS A 18 5.857 -2.133 -4.994 1.00 0.00 N ATOM 224 CA LYS A 18 7.080 -1.708 -5.665 1.00 0.00 C ATOM 225 C LYS A 18 7.446 -0.279 -5.277 1.00 0.00 C ATOM 226 O LYS A 18 6.570 0.558 -5.055 1.00 0.00 O ATOM 227 CB LYS A 18 6.914 -1.809 -7.183 1.00 0.00 C ATOM 228 CG LYS A 18 6.952 -3.234 -7.706 1.00 0.00 C ATOM 229 CD LYS A 18 8.360 -3.804 -7.672 1.00 0.00 C ATOM 230 CE LYS A 18 9.226 -3.218 -8.777 1.00 0.00 C ATOM 231 NZ LYS A 18 9.056 -3.952 -10.062 1.00 0.00 N ATOM 0 H LYS A 18 5.103 -1.447 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 18 7.887 -2.369 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.966 -1.352 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.704 -1.233 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.291 -3.860 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.574 -3.257 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.814 -3.596 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.317 -4.888 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.970 -2.168 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.273 -3.252 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.662 -3.523 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.325 -4.948 -9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.062 -3.898 -10.364 1.00 0.00 H new ATOM 245 N LEU A 19 8.744 -0.006 -5.199 1.00 0.00 N ATOM 246 CA LEU A 19 9.226 1.323 -4.839 1.00 0.00 C ATOM 247 C LEU A 19 9.528 2.149 -6.085 1.00 0.00 C ATOM 248 O LEU A 19 10.283 1.721 -6.957 1.00 0.00 O ATOM 249 CB LEU A 19 10.479 1.214 -3.969 1.00 0.00 C ATOM 250 CG LEU A 19 10.738 2.382 -3.016 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.069 2.133 -1.673 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.233 2.601 -2.836 1.00 0.00 C ATOM 0 H LEU A 19 9.481 -0.687 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 19 8.442 1.826 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.410 0.299 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.344 1.107 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 19 10.308 3.284 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.264 2.974 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.994 2.025 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.469 1.221 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.399 3.436 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.686 1.700 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.687 2.825 -3.801 1.00 0.00 H new ATOM 264 N ALA A 20 8.934 3.335 -6.161 1.00 0.00 N ATOM 265 CA ALA A 20 9.143 4.223 -7.298 1.00 0.00 C ATOM 266 C ALA A 20 10.502 4.910 -7.215 1.00 0.00 C ATOM 267 O ALA A 20 10.995 5.453 -8.205 1.00 0.00 O ATOM 268 CB ALA A 20 8.030 5.257 -7.372 1.00 0.00 C ATOM 0 H ALA A 20 8.304 3.703 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 20 9.125 3.621 -8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.199 5.913 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.071 4.752 -7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.021 5.848 -6.456 1.00 0.00 H new ATOM 274 N ASP A 21 11.101 4.885 -6.030 1.00 0.00 N ATOM 275 CA ASP A 21 12.403 5.506 -5.819 1.00 0.00 C ATOM 276 C ASP A 21 13.529 4.514 -6.092 1.00 0.00 C ATOM 277 O ASP A 21 14.643 4.906 -6.440 1.00 0.00 O ATOM 278 CB ASP A 21 12.512 6.038 -4.389 1.00 0.00 C ATOM 279 CG ASP A 21 13.644 7.033 -4.226 1.00 0.00 C ATOM 280 OD1 ASP A 21 13.409 8.240 -4.445 1.00 0.00 O ATOM 281 OD2 ASP A 21 14.766 6.605 -3.881 1.00 0.00 O ATOM 0 H ASP A 21 10.706 4.441 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 21 12.498 6.338 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.572 6.513 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.664 5.203 -3.705 1.00 0.00 H new ATOM 286 N GLN A 22 13.231 3.229 -5.932 1.00 0.00 N ATOM 287 CA GLN A 22 14.219 2.181 -6.160 1.00 0.00 C ATOM 288 C GLN A 22 13.644 1.072 -7.035 1.00 0.00 C ATOM 289 O GLN A 22 13.135 0.063 -6.547 1.00 0.00 O ATOM 290 CB GLN A 22 14.694 1.600 -4.827 1.00 0.00 C ATOM 291 CG GLN A 22 15.342 2.627 -3.912 1.00 0.00 C ATOM 292 CD GLN A 22 15.952 2.002 -2.673 1.00 0.00 C ATOM 293 OE1 GLN A 22 15.443 2.382 -1.507 1.00 0.00 O flip ATOM 294 NE2 GLN A 22 16.871 1.187 -2.762 1.00 0.00 N flip ATOM 0 H GLN A 22 12.313 2.888 -5.645 1.00 0.00 H new ATOM 0 HA GLN A 22 15.069 2.625 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.844 1.152 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.407 0.799 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.116 3.162 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.596 3.364 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.232 0.923 -3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.271 0.776 -1.919 1.00 0.00 H new ATOM 303 N PRO A 23 13.726 1.262 -8.361 1.00 0.00 N ATOM 304 CA PRO A 23 13.220 0.288 -9.332 1.00 0.00 C ATOM 305 C PRO A 23 14.055 -0.988 -9.364 1.00 0.00 C ATOM 306 O PRO A 23 13.698 -1.959 -10.032 1.00 0.00 O ATOM 307 CB PRO A 23 13.326 1.030 -10.667 1.00 0.00 C ATOM 308 CG PRO A 23 14.408 2.033 -10.457 1.00 0.00 C ATOM 309 CD PRO A 23 14.320 2.441 -9.013 1.00 0.00 C ATOM 0 HA PRO A 23 12.209 -0.041 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.571 0.348 -11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.384 1.512 -10.928 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.385 1.606 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.276 2.893 -11.114 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.302 2.676 -8.601 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.699 3.327 -8.883 1.00 0.00 H new ATOM 317 N LEU A 24 15.168 -0.978 -8.639 1.00 0.00 N ATOM 318 CA LEU A 24 16.055 -2.136 -8.584 1.00 0.00 C ATOM 319 C LEU A 24 15.766 -2.984 -7.349 1.00 0.00 C ATOM 320 O LEU A 24 16.021 -4.188 -7.338 1.00 0.00 O ATOM 321 CB LEU A 24 17.516 -1.683 -8.576 1.00 0.00 C ATOM 322 CG LEU A 24 17.935 -0.748 -9.710 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.066 0.164 -9.260 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.349 -1.549 -10.936 1.00 0.00 C ATOM 0 H LEU A 24 15.478 -0.182 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 24 15.875 -2.745 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.715 -1.184 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.150 -2.569 -8.609 1.00 0.00 H new ATOM 0 HG LEU A 24 17.080 -0.127 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.351 0.822 -10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.735 0.763 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.924 -0.439 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.644 -0.867 -11.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.189 -2.195 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.511 -2.159 -11.272 1.00 0.00 H new ATOM 336 N ALA A 25 15.231 -2.348 -6.312 1.00 0.00 N ATOM 337 CA ALA A 25 14.904 -3.045 -5.075 1.00 0.00 C ATOM 338 C ALA A 25 13.938 -4.197 -5.332 1.00 0.00 C ATOM 339 O ALA A 25 13.112 -4.154 -6.244 1.00 0.00 O ATOM 340 CB ALA A 25 14.313 -2.075 -4.063 1.00 0.00 C ATOM 0 H ALA A 25 15.015 -1.351 -6.304 1.00 0.00 H new ATOM 0 HA ALA A 25 15.825 -3.462 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.073 -2.609 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.036 -1.288 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.405 -1.631 -4.472 1.00 0.00 H new ATOM 346 N PRO A 26 14.043 -5.253 -4.511 1.00 0.00 N ATOM 347 CA PRO A 26 13.187 -6.436 -4.631 1.00 0.00 C ATOM 348 C PRO A 26 11.742 -6.149 -4.237 1.00 0.00 C ATOM 349 O PRO A 26 11.482 -5.463 -3.248 1.00 0.00 O ATOM 350 CB PRO A 26 13.819 -7.432 -3.656 1.00 0.00 C ATOM 351 CG PRO A 26 14.525 -6.584 -2.654 1.00 0.00 C ATOM 352 CD PRO A 26 15.005 -5.372 -3.403 1.00 0.00 C ATOM 0 HA PRO A 26 13.135 -6.798 -5.658 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.062 -8.057 -3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.511 -8.101 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.856 -6.301 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.360 -7.122 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.003 -4.483 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.024 -5.502 -3.768 1.00 0.00 H new ATOM 360 N LYS A 27 10.804 -6.677 -5.016 1.00 0.00 N ATOM 361 CA LYS A 27 9.385 -6.479 -4.748 1.00 0.00 C ATOM 362 C LYS A 27 9.003 -7.054 -3.387 1.00 0.00 C ATOM 363 O LYS A 27 9.660 -7.963 -2.880 1.00 0.00 O ATOM 364 CB LYS A 27 8.542 -7.134 -5.845 1.00 0.00 C ATOM 365 CG LYS A 27 7.053 -7.139 -5.545 1.00 0.00 C ATOM 366 CD LYS A 27 6.257 -7.754 -6.684 1.00 0.00 C ATOM 367 CE LYS A 27 6.308 -9.274 -6.642 1.00 0.00 C ATOM 368 NZ LYS A 27 7.603 -9.800 -7.155 1.00 0.00 N ATOM 0 H LYS A 27 11.002 -7.246 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 27 9.188 -5.407 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.713 -6.610 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.879 -8.161 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.868 -7.697 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.712 -6.118 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.220 -7.422 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.652 -7.402 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.158 -9.614 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.490 -9.681 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.425 -10.618 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.089 -9.057 -7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.200 -10.092 -6.355 1.00 0.00 H new ATOM 382 N SER A 28 7.936 -6.518 -2.803 1.00 0.00 N ATOM 383 CA SER A 28 7.468 -6.977 -1.500 1.00 0.00 C ATOM 384 C SER A 28 5.974 -7.284 -1.536 1.00 0.00 C ATOM 385 O SER A 28 5.182 -6.504 -2.066 1.00 0.00 O ATOM 386 CB SER A 28 7.758 -5.921 -0.430 1.00 0.00 C ATOM 387 OG SER A 28 9.038 -6.115 0.144 1.00 0.00 O ATOM 0 H SER A 28 7.380 -5.766 -3.211 1.00 0.00 H new ATOM 0 HA SER A 28 8.003 -7.893 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.701 -4.926 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.996 -5.968 0.348 1.00 0.00 H new ATOM 0 HG SER A 28 9.200 -5.427 0.823 1.00 0.00 H new ATOM 393 N ILE A 29 5.598 -8.425 -0.970 1.00 0.00 N ATOM 394 CA ILE A 29 4.199 -8.836 -0.936 1.00 0.00 C ATOM 395 C ILE A 29 3.516 -8.355 0.339 1.00 0.00 C ATOM 396 O ILE A 29 4.035 -8.536 1.441 1.00 0.00 O ATOM 397 CB ILE A 29 4.060 -10.366 -1.034 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.668 -10.873 -2.344 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.597 -10.772 -0.931 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.135 -10.166 -3.571 1.00 0.00 C ATOM 0 H ILE A 29 6.242 -9.082 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 29 3.714 -8.379 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 29 4.603 -10.819 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.750 -10.749 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.472 -11.941 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.515 -11.857 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.194 -10.439 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.034 -10.311 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.610 -10.576 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.057 -10.311 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.354 -9.101 -3.501 1.00 0.00 H new ATOM 412 N LEU A 30 2.348 -7.742 0.182 1.00 0.00 N ATOM 413 CA LEU A 30 1.590 -7.236 1.322 1.00 0.00 C ATOM 414 C LEU A 30 0.308 -8.037 1.523 1.00 0.00 C ATOM 415 O LEU A 30 -0.401 -8.341 0.564 1.00 0.00 O ATOM 416 CB LEU A 30 1.254 -5.757 1.120 1.00 0.00 C ATOM 417 CG LEU A 30 0.745 -5.010 2.353 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.892 -4.707 3.305 1.00 0.00 C ATOM 419 CD2 LEU A 30 0.035 -3.728 1.944 1.00 0.00 C ATOM 0 H LEU A 30 1.905 -7.583 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 30 2.207 -7.344 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.147 -5.249 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.500 -5.680 0.336 1.00 0.00 H new ATOM 0 HG LEU A 30 0.029 -5.648 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.511 -4.175 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.356 -5.640 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.632 -4.088 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.321 -3.209 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.729 -3.085 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.812 -3.970 1.302 1.00 0.00 H new ATOM 431 N GLN A 31 0.018 -8.375 2.775 1.00 0.00 N ATOM 432 CA GLN A 31 -1.180 -9.140 3.102 1.00 0.00 C ATOM 433 C GLN A 31 -2.125 -8.325 3.979 1.00 0.00 C ATOM 434 O GLN A 31 -1.945 -8.244 5.195 1.00 0.00 O ATOM 435 CB GLN A 31 -0.802 -10.441 3.811 1.00 0.00 C ATOM 436 CG GLN A 31 0.203 -11.283 3.042 1.00 0.00 C ATOM 437 CD GLN A 31 0.513 -12.597 3.731 1.00 0.00 C ATOM 438 OE1 GLN A 31 0.552 -12.673 4.960 1.00 0.00 O ATOM 439 NE2 GLN A 31 0.735 -13.642 2.943 1.00 0.00 N ATOM 0 H GLN A 31 0.596 -8.131 3.580 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.694 -9.378 2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.390 -10.204 4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.704 -11.029 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.186 -11.484 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.126 -10.716 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.693 -13.535 1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.948 -14.552 3.351 1.00 0.00 H new ATOM 448 N LEU A 32 -3.130 -7.721 3.355 1.00 0.00 N ATOM 449 CA LEU A 32 -4.104 -6.911 4.079 1.00 0.00 C ATOM 450 C LEU A 32 -5.051 -7.792 4.888 1.00 0.00 C ATOM 451 O LEU A 32 -5.315 -8.944 4.542 1.00 0.00 O ATOM 452 CB LEU A 32 -4.902 -6.045 3.104 1.00 0.00 C ATOM 453 CG LEU A 32 -5.963 -6.770 2.275 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.238 -6.953 3.084 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.249 -6.008 0.990 1.00 0.00 C ATOM 0 H LEU A 32 -3.292 -7.777 2.349 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.561 -6.264 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.391 -5.252 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.202 -5.564 2.421 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.580 -7.756 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.982 -7.471 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.022 -7.542 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.625 -5.978 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.006 -6.539 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.612 -5.009 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.334 -5.929 0.402 1.00 0.00 H new ATOM 467 N PRO A 33 -5.578 -7.239 5.990 1.00 0.00 N ATOM 468 CA PRO A 33 -6.507 -7.955 6.869 1.00 0.00 C ATOM 469 C PRO A 33 -7.865 -8.182 6.215 1.00 0.00 C ATOM 470 O PRO A 33 -8.591 -7.232 5.926 1.00 0.00 O ATOM 471 CB PRO A 33 -6.643 -7.024 8.076 1.00 0.00 C ATOM 472 CG PRO A 33 -6.333 -5.667 7.545 1.00 0.00 C ATOM 473 CD PRO A 33 -5.308 -5.870 6.463 1.00 0.00 C ATOM 0 HA PRO A 33 -6.143 -8.951 7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.648 -7.065 8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.953 -7.305 8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.229 -5.189 7.149 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.947 -5.019 8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.419 -5.139 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.293 -5.770 6.847 1.00 0.00 H new ATOM 481 N GLU A 34 -8.203 -9.448 5.986 1.00 0.00 N ATOM 482 CA GLU A 34 -9.475 -9.798 5.366 1.00 0.00 C ATOM 483 C GLU A 34 -10.618 -8.994 5.978 1.00 0.00 C ATOM 484 O GLU A 34 -10.465 -8.378 7.033 1.00 0.00 O ATOM 485 CB GLU A 34 -9.749 -11.295 5.522 1.00 0.00 C ATOM 486 CG GLU A 34 -10.893 -11.798 4.658 1.00 0.00 C ATOM 487 CD GLU A 34 -11.046 -13.306 4.712 1.00 0.00 C ATOM 488 OE1 GLU A 34 -11.201 -13.847 5.826 1.00 0.00 O ATOM 489 OE2 GLU A 34 -11.011 -13.944 3.639 1.00 0.00 O ATOM 0 H GLU A 34 -7.614 -10.247 6.221 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.411 -9.556 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.845 -11.849 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.974 -11.508 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.822 -11.330 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.726 -11.490 3.626 1.00 0.00 H new ATOM 496 N THR A 35 -11.767 -9.004 5.308 1.00 0.00 N ATOM 497 CA THR A 35 -12.936 -8.276 5.783 1.00 0.00 C ATOM 498 C THR A 35 -14.129 -9.207 5.962 1.00 0.00 C ATOM 499 O THR A 35 -14.259 -10.206 5.255 1.00 0.00 O ATOM 500 CB THR A 35 -13.324 -7.143 4.815 1.00 0.00 C ATOM 501 OG1 THR A 35 -14.706 -6.808 4.981 1.00 0.00 O ATOM 502 CG2 THR A 35 -13.066 -7.551 3.373 1.00 0.00 C ATOM 0 H THR A 35 -11.912 -9.509 4.434 1.00 0.00 H new ATOM 0 HA THR A 35 -12.668 -7.844 6.747 1.00 0.00 H new ATOM 0 HB THR A 35 -12.710 -6.273 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.944 -6.086 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.348 -6.735 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.008 -7.777 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.658 -8.435 3.134 1.00 0.00 H new ATOM 510 N GLU A 36 -14.998 -8.873 6.911 1.00 0.00 N ATOM 511 CA GLU A 36 -16.181 -9.682 7.181 1.00 0.00 C ATOM 512 C GLU A 36 -16.845 -10.126 5.881 1.00 0.00 C ATOM 513 O GLU A 36 -17.434 -11.206 5.808 1.00 0.00 O ATOM 514 CB GLU A 36 -17.180 -8.895 8.033 1.00 0.00 C ATOM 515 CG GLU A 36 -17.605 -7.576 7.411 1.00 0.00 C ATOM 516 CD GLU A 36 -18.218 -6.625 8.421 1.00 0.00 C ATOM 517 OE1 GLU A 36 -17.795 -6.655 9.596 1.00 0.00 O ATOM 518 OE2 GLU A 36 -19.120 -5.852 8.037 1.00 0.00 O ATOM 0 H GLU A 36 -14.905 -8.049 7.505 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.865 -10.570 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.065 -9.509 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.737 -8.700 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.740 -7.101 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.325 -7.769 6.616 1.00 0.00 H new ATOM 525 N LEU A 37 -16.747 -9.286 4.856 1.00 0.00 N ATOM 526 CA LEU A 37 -17.338 -9.591 3.558 1.00 0.00 C ATOM 527 C LEU A 37 -16.705 -10.839 2.951 1.00 0.00 C ATOM 528 O LEU A 37 -15.736 -11.378 3.484 1.00 0.00 O ATOM 529 CB LEU A 37 -17.167 -8.405 2.607 1.00 0.00 C ATOM 530 CG LEU A 37 -18.295 -7.372 2.612 1.00 0.00 C ATOM 531 CD1 LEU A 37 -19.646 -8.056 2.467 1.00 0.00 C ATOM 532 CD2 LEU A 37 -18.251 -6.541 3.886 1.00 0.00 C ATOM 0 H LEU A 37 -16.264 -8.389 4.899 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.401 -9.781 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.235 -7.897 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.059 -8.791 1.593 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.155 -6.705 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.436 -7.305 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.676 -8.607 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.795 -8.746 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.061 -5.811 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.366 -7.194 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.295 -6.021 3.948 1.00 0.00 H new ATOM 544 N GLY A 38 -17.259 -11.292 1.830 1.00 0.00 N ATOM 545 CA GLY A 38 -16.734 -12.472 1.168 1.00 0.00 C ATOM 546 C GLY A 38 -15.300 -12.291 0.711 1.00 0.00 C ATOM 547 O GLY A 38 -14.492 -11.683 1.411 1.00 0.00 O ATOM 0 H GLY A 38 -18.061 -10.863 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.791 -13.322 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.359 -12.710 0.307 1.00 0.00 H new ATOM 551 N GLU A 39 -14.984 -12.822 -0.466 1.00 0.00 N ATOM 552 CA GLU A 39 -13.637 -12.717 -1.014 1.00 0.00 C ATOM 553 C GLU A 39 -13.627 -11.858 -2.274 1.00 0.00 C ATOM 554 O GLU A 39 -12.618 -11.235 -2.606 1.00 0.00 O ATOM 555 CB GLU A 39 -13.081 -14.108 -1.327 1.00 0.00 C ATOM 556 CG GLU A 39 -13.756 -14.781 -2.510 1.00 0.00 C ATOM 557 CD GLU A 39 -15.132 -15.318 -2.169 1.00 0.00 C ATOM 558 OE1 GLU A 39 -15.211 -16.405 -1.559 1.00 0.00 O ATOM 559 OE2 GLU A 39 -16.130 -14.650 -2.511 1.00 0.00 O ATOM 0 H GLU A 39 -15.642 -13.329 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.004 -12.240 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.013 -14.026 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.193 -14.741 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.842 -14.067 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.129 -15.599 -2.864 1.00 0.00 H new ATOM 566 N TYR A 40 -14.757 -11.829 -2.973 1.00 0.00 N ATOM 567 CA TYR A 40 -14.878 -11.049 -4.198 1.00 0.00 C ATOM 568 C TYR A 40 -14.247 -9.670 -4.031 1.00 0.00 C ATOM 569 O TYR A 40 -13.951 -9.242 -2.916 1.00 0.00 O ATOM 570 CB TYR A 40 -16.349 -10.905 -4.592 1.00 0.00 C ATOM 571 CG TYR A 40 -17.123 -9.954 -3.707 1.00 0.00 C ATOM 572 CD1 TYR A 40 -17.065 -10.060 -2.323 1.00 0.00 C ATOM 573 CD2 TYR A 40 -17.912 -8.951 -4.255 1.00 0.00 C ATOM 574 CE1 TYR A 40 -17.771 -9.194 -1.510 1.00 0.00 C ATOM 575 CE2 TYR A 40 -18.620 -8.079 -3.450 1.00 0.00 C ATOM 576 CZ TYR A 40 -18.546 -8.205 -2.078 1.00 0.00 C ATOM 577 OH TYR A 40 -19.251 -7.340 -1.273 1.00 0.00 O ATOM 0 H TYR A 40 -15.602 -12.337 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 40 -14.347 -11.578 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -16.408 -10.557 -5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -16.823 -11.886 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -16.458 -10.832 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -17.973 -8.851 -5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.716 -9.291 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -19.228 -7.303 -3.892 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.745 -6.703 -1.831 1.00 0.00 H new ATOM 587 N SER A 41 -14.046 -8.979 -5.149 1.00 0.00 N ATOM 588 CA SER A 41 -13.447 -7.650 -5.128 1.00 0.00 C ATOM 589 C SER A 41 -13.905 -6.867 -3.901 1.00 0.00 C ATOM 590 O SER A 41 -15.042 -6.395 -3.840 1.00 0.00 O ATOM 591 CB SER A 41 -13.812 -6.884 -6.401 1.00 0.00 C ATOM 592 OG SER A 41 -15.196 -6.583 -6.437 1.00 0.00 O ATOM 0 H SER A 41 -14.289 -9.318 -6.080 1.00 0.00 H new ATOM 0 HA SER A 41 -12.364 -7.767 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.235 -5.961 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.543 -7.477 -7.275 1.00 0.00 H new ATOM 0 HG SER A 41 -15.502 -6.342 -5.538 1.00 0.00 H new ATOM 598 N LEU A 42 -13.013 -6.733 -2.926 1.00 0.00 N ATOM 599 CA LEU A 42 -13.324 -6.007 -1.700 1.00 0.00 C ATOM 600 C LEU A 42 -14.242 -4.823 -1.985 1.00 0.00 C ATOM 601 O LEU A 42 -15.224 -4.601 -1.277 1.00 0.00 O ATOM 602 CB LEU A 42 -12.037 -5.519 -1.032 1.00 0.00 C ATOM 603 CG LEU A 42 -10.922 -6.556 -0.886 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.697 -5.934 -0.235 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.408 -7.752 -0.081 1.00 0.00 C ATOM 0 H LEU A 42 -12.069 -7.117 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.841 -6.689 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.650 -4.677 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.287 -5.141 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.642 -6.903 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.914 -6.686 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.336 -5.111 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.962 -5.558 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.602 -8.479 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.716 -7.422 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.255 -8.213 -0.589 1.00 0.00 H new ATOM 617 N GLY A 43 -13.917 -4.066 -3.029 1.00 0.00 N ATOM 618 CA GLY A 43 -14.724 -2.916 -3.391 1.00 0.00 C ATOM 619 C GLY A 43 -15.266 -2.183 -2.180 1.00 0.00 C ATOM 620 O GLY A 43 -16.461 -2.241 -1.894 1.00 0.00 O ATOM 0 H GLY A 43 -13.109 -4.229 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.125 -2.229 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.555 -3.242 -4.017 1.00 0.00 H new ATOM 624 N GLY A 44 -14.383 -1.492 -1.465 1.00 0.00 N ATOM 625 CA GLY A 44 -14.798 -0.756 -0.285 1.00 0.00 C ATOM 626 C GLY A 44 -13.631 -0.119 0.442 1.00 0.00 C ATOM 627 O GLY A 44 -13.749 0.986 0.972 1.00 0.00 O ATOM 0 H GLY A 44 -13.388 -1.429 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.508 0.019 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.321 -1.429 0.394 1.00 0.00 H new ATOM 631 N TYR A 45 -12.501 -0.817 0.469 1.00 0.00 N ATOM 632 CA TYR A 45 -11.308 -0.314 1.140 1.00 0.00 C ATOM 633 C TYR A 45 -10.910 1.053 0.592 1.00 0.00 C ATOM 634 O TYR A 45 -11.114 1.346 -0.586 1.00 0.00 O ATOM 635 CB TYR A 45 -10.150 -1.300 0.973 1.00 0.00 C ATOM 636 CG TYR A 45 -10.120 -2.383 2.027 1.00 0.00 C ATOM 637 CD1 TYR A 45 -10.876 -3.540 1.884 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.334 -2.251 3.165 1.00 0.00 C ATOM 639 CE1 TYR A 45 -10.852 -4.532 2.845 1.00 0.00 C ATOM 640 CE2 TYR A 45 -9.303 -3.238 4.130 1.00 0.00 C ATOM 641 CZ TYR A 45 -10.064 -4.377 3.966 1.00 0.00 C ATOM 642 OH TYR A 45 -10.037 -5.364 4.925 1.00 0.00 O ATOM 0 H TYR A 45 -12.386 -1.732 0.034 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.536 -0.207 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.218 -1.764 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.209 -0.751 1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.493 -3.666 1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.737 -1.361 3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.447 -5.424 2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.686 -3.119 5.009 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.141 -5.759 4.962 1.00 0.00 H new ATOM 652 N SER A 46 -10.340 1.886 1.457 1.00 0.00 N ATOM 653 CA SER A 46 -9.916 3.225 1.062 1.00 0.00 C ATOM 654 C SER A 46 -8.404 3.280 0.867 1.00 0.00 C ATOM 655 O SER A 46 -7.643 2.743 1.673 1.00 0.00 O ATOM 656 CB SER A 46 -10.343 4.249 2.115 1.00 0.00 C ATOM 657 OG SER A 46 -9.901 3.868 3.406 1.00 0.00 O ATOM 0 H SER A 46 -10.161 1.658 2.435 1.00 0.00 H new ATOM 0 HA SER A 46 -10.397 3.467 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.935 5.227 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.429 4.346 2.113 1.00 0.00 H new ATOM 0 HG SER A 46 -10.185 4.540 4.061 1.00 0.00 H new ATOM 663 N ILE A 47 -7.976 3.932 -0.209 1.00 0.00 N ATOM 664 CA ILE A 47 -6.555 4.058 -0.510 1.00 0.00 C ATOM 665 C ILE A 47 -5.755 4.394 0.744 1.00 0.00 C ATOM 666 O ILE A 47 -4.739 3.763 1.033 1.00 0.00 O ATOM 667 CB ILE A 47 -6.299 5.141 -1.574 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.032 4.795 -2.872 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.807 5.294 -1.826 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.652 3.444 -3.438 1.00 0.00 C ATOM 0 H ILE A 47 -8.592 4.381 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.228 3.094 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.684 6.091 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.106 4.814 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.821 5.564 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.642 6.063 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.309 5.582 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.399 4.347 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.210 3.265 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.583 3.427 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.889 2.666 -2.712 1.00 0.00 H new ATOM 682 N SER A 48 -6.222 5.392 1.487 1.00 0.00 N ATOM 683 CA SER A 48 -5.549 5.815 2.710 1.00 0.00 C ATOM 684 C SER A 48 -5.035 4.609 3.491 1.00 0.00 C ATOM 685 O SER A 48 -3.861 4.547 3.858 1.00 0.00 O ATOM 686 CB SER A 48 -6.500 6.634 3.584 1.00 0.00 C ATOM 687 OG SER A 48 -5.994 6.771 4.900 1.00 0.00 O ATOM 0 H SER A 48 -7.064 5.923 1.264 1.00 0.00 H new ATOM 0 HA SER A 48 -4.698 6.436 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.646 7.620 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.477 6.151 3.615 1.00 0.00 H new ATOM 0 HG SER A 48 -6.620 7.300 5.438 1.00 0.00 H new ATOM 693 N PHE A 49 -5.922 3.652 3.743 1.00 0.00 N ATOM 694 CA PHE A 49 -5.560 2.448 4.481 1.00 0.00 C ATOM 695 C PHE A 49 -4.291 1.822 3.911 1.00 0.00 C ATOM 696 O PHE A 49 -3.285 1.685 4.609 1.00 0.00 O ATOM 697 CB PHE A 49 -6.706 1.435 4.439 1.00 0.00 C ATOM 698 CG PHE A 49 -6.524 0.285 5.388 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.341 0.509 6.743 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.535 -1.021 4.925 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.173 -0.547 7.618 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.368 -2.082 5.795 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.187 -1.844 7.143 1.00 0.00 C ATOM 0 H PHE A 49 -6.897 3.687 3.447 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.371 2.729 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.640 1.945 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.801 1.047 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.330 1.521 7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.676 -1.212 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.031 -0.359 8.672 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.379 -3.095 5.421 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.057 -2.671 7.825 1.00 0.00 H new ATOM 713 N LEU A 50 -4.345 1.443 2.639 1.00 0.00 N ATOM 714 CA LEU A 50 -3.201 0.830 1.973 1.00 0.00 C ATOM 715 C LEU A 50 -1.921 1.606 2.267 1.00 0.00 C ATOM 716 O LEU A 50 -0.959 1.057 2.806 1.00 0.00 O ATOM 717 CB LEU A 50 -3.437 0.767 0.464 1.00 0.00 C ATOM 718 CG LEU A 50 -4.152 -0.482 -0.052 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.467 -0.344 -1.534 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.307 -1.722 0.201 1.00 0.00 C ATOM 0 H LEU A 50 -5.169 1.549 2.048 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.087 -0.183 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.018 1.641 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.472 0.842 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.092 -0.589 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.976 -1.243 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.111 0.521 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.540 -0.212 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.831 -2.602 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.352 -1.623 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.132 -1.831 1.271 1.00 0.00 H new ATOM 732 N LYS A 51 -1.916 2.886 1.911 1.00 0.00 N ATOM 733 CA LYS A 51 -0.756 3.740 2.139 1.00 0.00 C ATOM 734 C LYS A 51 -0.158 3.487 3.519 1.00 0.00 C ATOM 735 O LYS A 51 1.025 3.738 3.748 1.00 0.00 O ATOM 736 CB LYS A 51 -1.147 5.213 2.003 1.00 0.00 C ATOM 737 CG LYS A 51 -1.436 5.636 0.573 1.00 0.00 C ATOM 738 CD LYS A 51 -2.195 6.951 0.523 1.00 0.00 C ATOM 739 CE LYS A 51 -1.948 7.688 -0.785 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.938 8.779 -1.002 1.00 0.00 N ATOM 0 H LYS A 51 -2.703 3.355 1.463 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.005 3.499 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.029 5.404 2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.343 5.832 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.499 5.735 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.017 4.860 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.262 6.761 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.891 7.580 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.941 8.106 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.997 6.982 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.452 8.610 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.612 8.799 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.442 9.692 -1.058 1.00 0.00 H new ATOM 754 N GLN A 52 -0.982 2.988 4.435 1.00 0.00 N ATOM 755 CA GLN A 52 -0.532 2.701 5.792 1.00 0.00 C ATOM 756 C GLN A 52 0.115 1.323 5.871 1.00 0.00 C ATOM 757 O GLN A 52 1.217 1.172 6.400 1.00 0.00 O ATOM 758 CB GLN A 52 -1.707 2.783 6.769 1.00 0.00 C ATOM 759 CG GLN A 52 -2.528 4.055 6.628 1.00 0.00 C ATOM 760 CD GLN A 52 -3.178 4.477 7.931 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.309 3.679 8.859 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.590 5.737 8.007 1.00 0.00 N ATOM 0 H GLN A 52 -1.964 2.774 4.262 1.00 0.00 H new ATOM 0 HA GLN A 52 0.213 3.448 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.357 1.922 6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.326 2.717 7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.886 4.860 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.300 3.903 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.461 6.364 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.035 6.077 8.859 1.00 0.00 H new ATOM 771 N LEU A 53 -0.576 0.319 5.343 1.00 0.00 N ATOM 772 CA LEU A 53 -0.069 -1.049 5.353 1.00 0.00 C ATOM 773 C LEU A 53 1.304 -1.125 4.694 1.00 0.00 C ATOM 774 O LEU A 53 2.275 -1.567 5.309 1.00 0.00 O ATOM 775 CB LEU A 53 -1.045 -1.981 4.635 1.00 0.00 C ATOM 776 CG LEU A 53 -2.364 -2.258 5.357 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.416 -1.234 4.959 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.850 -3.669 5.057 1.00 0.00 C ATOM 0 H LEU A 53 -1.490 0.426 4.902 1.00 0.00 H new ATOM 0 HA LEU A 53 0.029 -1.367 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.272 -1.554 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.544 -2.933 4.458 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.193 -2.174 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.348 -1.447 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.070 -0.235 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.585 -1.285 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.790 -3.849 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.004 -3.780 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.105 -4.390 5.393 1.00 0.00 H new ATOM 790 N ILE A 54 1.378 -0.690 3.441 1.00 0.00 N ATOM 791 CA ILE A 54 2.633 -0.706 2.699 1.00 0.00 C ATOM 792 C ILE A 54 3.721 0.061 3.444 1.00 0.00 C ATOM 793 O ILE A 54 4.837 -0.431 3.611 1.00 0.00 O ATOM 794 CB ILE A 54 2.464 -0.101 1.293 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.610 -1.020 0.418 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.824 0.136 0.652 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.125 -0.756 0.534 1.00 0.00 C ATOM 0 H ILE A 54 0.584 -0.322 2.918 1.00 0.00 H new ATOM 0 HA ILE A 54 2.929 -1.750 2.602 1.00 0.00 H new ATOM 0 HB ILE A 54 1.955 0.858 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.912 -0.901 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.809 -2.056 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.688 0.564 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.402 0.825 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.357 -0.811 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.419 -1.444 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.191 -0.903 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.087 0.270 0.233 1.00 0.00 H new ATOM 809 N ALA A 55 3.387 1.267 3.890 1.00 0.00 N ATOM 810 CA ALA A 55 4.334 2.101 4.620 1.00 0.00 C ATOM 811 C ALA A 55 4.858 1.381 5.858 1.00 0.00 C ATOM 812 O ALA A 55 5.983 1.618 6.296 1.00 0.00 O ATOM 813 CB ALA A 55 3.685 3.421 5.009 1.00 0.00 C ATOM 0 H ALA A 55 2.468 1.689 3.759 1.00 0.00 H new ATOM 0 HA ALA A 55 5.181 2.305 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.404 4.033 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.366 3.949 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.819 3.228 5.643 1.00 0.00 H new ATOM 819 N GLY A 56 4.033 0.502 6.419 1.00 0.00 N ATOM 820 CA GLY A 56 4.431 -0.238 7.602 1.00 0.00 C ATOM 821 C GLY A 56 5.463 -1.306 7.299 1.00 0.00 C ATOM 822 O GLY A 56 6.224 -1.713 8.177 1.00 0.00 O ATOM 0 H GLY A 56 3.096 0.289 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.835 0.454 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.552 -0.703 8.049 1.00 0.00 H new ATOM 826 N LYS A 57 5.488 -1.765 6.052 1.00 0.00 N ATOM 827 CA LYS A 57 6.433 -2.793 5.633 1.00 0.00 C ATOM 828 C LYS A 57 7.667 -2.169 4.989 1.00 0.00 C ATOM 829 O LYS A 57 8.793 -2.609 5.225 1.00 0.00 O ATOM 830 CB LYS A 57 5.766 -3.759 4.651 1.00 0.00 C ATOM 831 CG LYS A 57 5.041 -4.910 5.327 1.00 0.00 C ATOM 832 CD LYS A 57 5.996 -5.770 6.137 1.00 0.00 C ATOM 833 CE LYS A 57 5.509 -7.209 6.228 1.00 0.00 C ATOM 834 NZ LYS A 57 5.944 -8.017 5.056 1.00 0.00 N ATOM 0 H LYS A 57 4.864 -1.441 5.313 1.00 0.00 H new ATOM 0 HA LYS A 57 6.747 -3.344 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.057 -3.206 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.524 -4.162 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.261 -4.517 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.547 -5.523 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.985 -5.748 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.099 -5.356 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.888 -7.663 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.421 -7.221 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.592 -8.991 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.561 -7.598 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.983 -8.027 5.008 1.00 0.00 H new ATOM 848 N LEU A 58 7.448 -1.141 4.176 1.00 0.00 N ATOM 849 CA LEU A 58 8.543 -0.454 3.500 1.00 0.00 C ATOM 850 C LEU A 58 9.375 0.353 4.491 1.00 0.00 C ATOM 851 O LEU A 58 10.354 0.996 4.114 1.00 0.00 O ATOM 852 CB LEU A 58 7.996 0.466 2.407 1.00 0.00 C ATOM 853 CG LEU A 58 7.094 -0.194 1.363 1.00 0.00 C ATOM 854 CD1 LEU A 58 6.954 0.697 0.139 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.641 -1.559 0.972 1.00 0.00 C ATOM 0 H LEU A 58 6.523 -0.765 3.969 1.00 0.00 H new ATOM 0 HA LEU A 58 9.186 -1.207 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.437 1.271 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.839 0.925 1.891 1.00 0.00 H new ATOM 0 HG LEU A 58 6.105 -0.333 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.309 0.211 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.516 1.651 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.937 0.868 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.987 -2.014 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.641 -1.444 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.688 -2.198 1.854 1.00 0.00 H new ATOM 867 N GLN A 59 8.980 0.312 5.759 1.00 0.00 N ATOM 868 CA GLN A 59 9.690 1.039 6.804 1.00 0.00 C ATOM 869 C GLN A 59 11.179 1.131 6.487 1.00 0.00 C ATOM 870 O GLN A 59 11.821 2.142 6.769 1.00 0.00 O ATOM 871 CB GLN A 59 9.486 0.357 8.158 1.00 0.00 C ATOM 872 CG GLN A 59 9.249 -1.141 8.055 1.00 0.00 C ATOM 873 CD GLN A 59 9.207 -1.819 9.410 1.00 0.00 C ATOM 874 OE1 GLN A 59 10.047 -2.664 9.721 1.00 0.00 O ATOM 875 NE2 GLN A 59 8.225 -1.453 10.226 1.00 0.00 N ATOM 0 H GLN A 59 8.172 -0.217 6.087 1.00 0.00 H new ATOM 0 HA GLN A 59 9.283 2.049 6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.362 0.536 8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.637 0.817 8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.309 -1.321 7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.039 -1.590 7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.550 -0.749 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.146 -1.876 11.151 1.00 0.00 H new ATOM 884 N GLU A 60 11.721 0.068 5.901 1.00 0.00 N ATOM 885 CA GLU A 60 13.135 0.030 5.547 1.00 0.00 C ATOM 886 C GLU A 60 13.575 1.348 4.917 1.00 0.00 C ATOM 887 O GLU A 60 14.562 1.951 5.338 1.00 0.00 O ATOM 888 CB GLU A 60 13.412 -1.126 4.584 1.00 0.00 C ATOM 889 CG GLU A 60 12.626 -1.039 3.286 1.00 0.00 C ATOM 890 CD GLU A 60 12.582 -2.358 2.540 1.00 0.00 C ATOM 891 OE1 GLU A 60 11.881 -3.280 3.006 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.249 -2.468 1.490 1.00 0.00 O ATOM 0 H GLU A 60 11.203 -0.777 5.662 1.00 0.00 H new ATOM 0 HA GLU A 60 13.707 -0.124 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.477 -1.148 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.174 -2.067 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.608 -0.715 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.073 -0.279 2.646 1.00 0.00 H new ATOM 899 N SER A 61 12.834 1.788 3.904 1.00 0.00 N ATOM 900 CA SER A 61 13.149 3.032 3.212 1.00 0.00 C ATOM 901 C SER A 61 12.077 4.086 3.473 1.00 0.00 C ATOM 902 O SER A 61 12.367 5.280 3.544 1.00 0.00 O ATOM 903 CB SER A 61 13.281 2.785 1.708 1.00 0.00 C ATOM 904 OG SER A 61 14.616 2.460 1.360 1.00 0.00 O ATOM 0 H SER A 61 12.012 1.302 3.545 1.00 0.00 H new ATOM 0 HA SER A 61 14.099 3.402 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.616 1.974 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.965 3.674 1.161 1.00 0.00 H new ATOM 0 HG SER A 61 14.714 2.479 0.385 1.00 0.00 H new ATOM 910 N VAL A 62 10.835 3.634 3.615 1.00 0.00 N ATOM 911 CA VAL A 62 9.717 4.536 3.870 1.00 0.00 C ATOM 912 C VAL A 62 9.673 4.956 5.334 1.00 0.00 C ATOM 913 O VAL A 62 9.474 4.139 6.234 1.00 0.00 O ATOM 914 CB VAL A 62 8.373 3.885 3.492 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.212 4.745 3.965 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.298 3.650 1.991 1.00 0.00 C ATOM 0 H VAL A 62 10.577 2.649 3.558 1.00 0.00 H new ATOM 0 HA VAL A 62 9.872 5.417 3.247 1.00 0.00 H new ATOM 0 HB VAL A 62 8.304 2.918 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.271 4.269 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.259 4.856 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.273 5.728 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.342 3.190 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.389 4.602 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.109 2.989 1.685 1.00 0.00 H new ATOM 926 N PRO A 63 9.861 6.260 5.582 1.00 0.00 N ATOM 927 CA PRO A 63 9.846 6.820 6.937 1.00 0.00 C ATOM 928 C PRO A 63 8.452 6.803 7.555 1.00 0.00 C ATOM 929 O PRO A 63 8.265 6.329 8.676 1.00 0.00 O ATOM 930 CB PRO A 63 10.323 8.260 6.732 1.00 0.00 C ATOM 931 CG PRO A 63 9.968 8.579 5.321 1.00 0.00 C ATOM 932 CD PRO A 63 10.103 7.291 4.558 1.00 0.00 C ATOM 0 HA PRO A 63 10.468 6.245 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.834 8.942 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.396 8.349 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.952 8.968 5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.630 9.344 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.379 7.228 3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.093 7.190 4.112 1.00 0.00 H new ATOM 940 N ASP A 64 7.477 7.323 6.817 1.00 0.00 N ATOM 941 CA ASP A 64 6.099 7.367 7.293 1.00 0.00 C ATOM 942 C ASP A 64 5.119 7.303 6.125 1.00 0.00 C ATOM 943 O ASP A 64 5.445 7.650 4.990 1.00 0.00 O ATOM 944 CB ASP A 64 5.858 8.638 8.108 1.00 0.00 C ATOM 945 CG ASP A 64 6.133 8.439 9.586 1.00 0.00 C ATOM 946 OD1 ASP A 64 6.252 7.272 10.015 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.227 9.449 10.314 1.00 0.00 O ATOM 0 H ASP A 64 7.615 7.720 5.888 1.00 0.00 H new ATOM 0 HA ASP A 64 5.933 6.499 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.495 9.436 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.826 8.962 7.974 1.00 0.00 H new ATOM 952 N PRO A 65 3.889 6.850 6.409 1.00 0.00 N ATOM 953 CA PRO A 65 2.836 6.730 5.395 1.00 0.00 C ATOM 954 C PRO A 65 2.332 8.088 4.919 1.00 0.00 C ATOM 955 O PRO A 65 1.748 8.200 3.842 1.00 0.00 O ATOM 956 CB PRO A 65 1.725 5.972 6.126 1.00 0.00 C ATOM 957 CG PRO A 65 1.944 6.277 7.568 1.00 0.00 C ATOM 958 CD PRO A 65 3.430 6.419 7.740 1.00 0.00 C ATOM 0 HA PRO A 65 3.192 6.229 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.739 6.300 5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.784 4.901 5.934 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.429 7.193 7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.553 5.479 8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.677 7.153 8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.892 5.478 8.039 1.00 0.00 H new ATOM 966 N GLU A 66 2.563 9.116 5.729 1.00 0.00 N ATOM 967 CA GLU A 66 2.130 10.467 5.389 1.00 0.00 C ATOM 968 C GLU A 66 3.176 11.173 4.531 1.00 0.00 C ATOM 969 O GLU A 66 2.850 12.051 3.732 1.00 0.00 O ATOM 970 CB GLU A 66 1.866 11.277 6.661 1.00 0.00 C ATOM 971 CG GLU A 66 0.958 10.572 7.654 1.00 0.00 C ATOM 972 CD GLU A 66 0.240 11.538 8.575 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.651 12.267 8.091 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.568 11.565 9.780 1.00 0.00 O ATOM 0 H GLU A 66 3.047 9.040 6.624 1.00 0.00 H new ATOM 0 HA GLU A 66 1.206 10.392 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.817 11.498 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.418 12.232 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.222 9.979 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.549 9.877 8.251 1.00 0.00 H new ATOM 981 N LEU A 67 4.435 10.784 4.704 1.00 0.00 N ATOM 982 CA LEU A 67 5.530 11.379 3.947 1.00 0.00 C ATOM 983 C LEU A 67 5.690 10.697 2.592 1.00 0.00 C ATOM 984 O LEU A 67 6.654 10.949 1.868 1.00 0.00 O ATOM 985 CB LEU A 67 6.836 11.280 4.737 1.00 0.00 C ATOM 986 CG LEU A 67 6.773 11.732 6.197 1.00 0.00 C ATOM 987 CD1 LEU A 67 8.095 11.459 6.897 1.00 0.00 C ATOM 988 CD2 LEU A 67 6.415 13.208 6.283 1.00 0.00 C ATOM 0 H LEU A 67 4.722 10.059 5.362 1.00 0.00 H new ATOM 0 HA LEU A 67 5.293 12.429 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.175 10.244 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.593 11.875 4.226 1.00 0.00 H new ATOM 0 HG LEU A 67 5.994 11.161 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.032 11.787 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.309 10.391 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.893 12.003 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.375 13.512 7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.171 13.797 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.443 13.374 5.819 1.00 0.00 H new ATOM 1000 N ILE A 68 4.738 9.834 2.254 1.00 0.00 N ATOM 1001 CA ILE A 68 4.771 9.117 0.985 1.00 0.00 C ATOM 1002 C ILE A 68 3.375 9.002 0.382 1.00 0.00 C ATOM 1003 O ILE A 68 2.375 9.012 1.100 1.00 0.00 O ATOM 1004 CB ILE A 68 5.365 7.706 1.151 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.494 6.869 2.089 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.791 7.790 1.676 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.405 6.098 1.376 1.00 0.00 C ATOM 0 H ILE A 68 3.934 9.614 2.842 1.00 0.00 H new ATOM 0 HA ILE A 68 5.407 9.693 0.313 1.00 0.00 H new ATOM 0 HB ILE A 68 5.386 7.220 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.128 6.168 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.038 7.525 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.197 6.785 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.405 8.353 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.794 8.292 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.827 5.527 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.747 6.794 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.855 5.416 0.654 1.00 0.00 H new ATOM 1019 N ASP A 69 3.316 8.890 -0.940 1.00 0.00 N ATOM 1020 CA ASP A 69 2.042 8.769 -1.640 1.00 0.00 C ATOM 1021 C ASP A 69 1.950 7.435 -2.374 1.00 0.00 C ATOM 1022 O ASP A 69 2.920 6.677 -2.431 1.00 0.00 O ATOM 1023 CB ASP A 69 1.869 9.922 -2.630 1.00 0.00 C ATOM 1024 CG ASP A 69 2.775 9.791 -3.838 1.00 0.00 C ATOM 1025 OD1 ASP A 69 2.813 8.694 -4.435 1.00 0.00 O ATOM 1026 OD2 ASP A 69 3.447 10.784 -4.186 1.00 0.00 O ATOM 0 H ASP A 69 4.135 8.880 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 69 1.243 8.812 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.831 9.960 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.077 10.865 -2.124 1.00 0.00 H new ATOM 1031 N LEU A 70 0.779 7.153 -2.934 1.00 0.00 N ATOM 1032 CA LEU A 70 0.560 5.909 -3.664 1.00 0.00 C ATOM 1033 C LEU A 70 0.326 6.182 -5.147 1.00 0.00 C ATOM 1034 O LEU A 70 -0.472 7.046 -5.510 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.635 5.155 -3.078 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.592 3.631 -3.200 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.787 3.105 -2.834 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.658 2.995 -2.319 1.00 0.00 C ATOM 0 H LEU A 70 -0.033 7.769 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 70 1.455 5.295 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.720 5.413 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.541 5.513 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.798 3.363 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.799 2.019 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.530 3.534 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.022 3.384 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.613 1.910 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.483 3.272 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.642 3.347 -2.628 1.00 0.00 H new ATOM 1050 N ILE A 71 1.024 5.438 -5.997 1.00 0.00 N ATOM 1051 CA ILE A 71 0.890 5.597 -7.440 1.00 0.00 C ATOM 1052 C ILE A 71 0.450 4.294 -8.098 1.00 0.00 C ATOM 1053 O ILE A 71 1.067 3.247 -7.901 1.00 0.00 O ATOM 1054 CB ILE A 71 2.211 6.063 -8.081 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.788 7.250 -7.306 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.991 6.432 -9.540 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.831 8.415 -7.185 1.00 0.00 C ATOM 0 H ILE A 71 1.689 4.719 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 71 0.128 6.359 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 71 2.928 5.243 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.072 6.918 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.699 7.588 -7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.934 6.759 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.620 5.563 -10.083 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.261 7.239 -9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.306 9.220 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.566 8.773 -8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.930 8.093 -6.664 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.619 4.366 -8.883 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.143 3.192 -9.571 1.00 0.00 C ATOM 1071 C TYR A 72 -1.645 3.557 -10.965 1.00 0.00 C ATOM 1072 O TYR A 72 -2.182 4.644 -11.180 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.274 2.561 -8.759 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.947 1.401 -9.456 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -3.839 1.614 -10.500 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.689 0.090 -9.073 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.456 0.557 -11.139 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -3.301 -0.973 -9.708 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.184 -0.735 -10.740 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.795 -1.791 -11.376 1.00 0.00 O ATOM 0 H TYR A 72 -1.140 5.225 -9.059 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.332 2.470 -9.673 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.876 2.218 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.021 3.324 -8.538 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.053 2.624 -10.817 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.998 -0.101 -8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.148 0.741 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.089 -1.986 -9.398 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.119 -2.452 -11.635 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.466 2.639 -11.909 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.900 2.862 -13.284 1.00 0.00 C ATOM 1092 C CYS A 73 -1.367 4.189 -13.814 1.00 0.00 C ATOM 1093 O CYS A 73 -2.033 4.872 -14.591 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.427 2.842 -13.368 1.00 0.00 C ATOM 1095 SG CYS A 73 -4.076 2.997 -15.049 1.00 0.00 S ATOM 0 H CYS A 73 -1.024 1.734 -11.748 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.499 2.058 -13.901 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.792 1.911 -12.934 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.824 3.655 -12.760 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.433 3.935 -15.678 1.00 0.00 H new ATOM 1101 N GLY A 74 -0.161 4.550 -13.386 1.00 0.00 N ATOM 1102 CA GLY A 74 0.441 5.795 -13.827 1.00 0.00 C ATOM 1103 C GLY A 74 -0.330 7.011 -13.353 1.00 0.00 C ATOM 1104 O GLY A 74 -0.385 8.028 -14.045 1.00 0.00 O ATOM 0 H GLY A 74 0.410 4.003 -12.742 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.465 5.851 -13.457 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.494 5.804 -14.916 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.928 6.906 -12.171 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.702 8.005 -11.606 1.00 0.00 C ATOM 1110 C ARG A 75 -1.865 7.838 -10.098 1.00 0.00 C ATOM 1111 O ARG A 75 -2.256 6.774 -9.619 1.00 0.00 O ATOM 1112 CB ARG A 75 -3.077 8.084 -12.273 1.00 0.00 C ATOM 1113 CG ARG A 75 -4.046 7.013 -11.798 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.417 7.181 -12.433 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.355 7.128 -13.892 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.378 7.432 -14.682 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.536 7.808 -14.158 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.244 7.360 -16.000 1.00 0.00 N ATOM 0 H ARG A 75 -0.891 6.071 -11.586 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.160 8.932 -11.794 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.510 9.065 -12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.953 7.998 -13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.649 6.028 -12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.138 7.060 -10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.083 6.398 -12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.846 8.134 -12.123 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.478 6.842 -14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.643 7.864 -13.145 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.320 8.041 -14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.355 7.071 -16.407 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.030 7.594 -16.606 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.561 8.897 -9.355 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.673 8.869 -7.901 1.00 0.00 C ATOM 1134 C LYS A 76 -3.078 8.458 -7.472 1.00 0.00 C ATOM 1135 O LYS A 76 -4.052 8.694 -8.189 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.331 10.241 -7.316 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.875 10.188 -5.869 1.00 0.00 C ATOM 1138 CD LYS A 76 -1.207 11.476 -5.132 1.00 0.00 C ATOM 1139 CE LYS A 76 -0.260 12.600 -5.522 1.00 0.00 C ATOM 1140 NZ LYS A 76 -0.127 13.614 -4.439 1.00 0.00 N ATOM 0 H LYS A 76 -1.235 9.785 -9.736 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.965 8.132 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.547 10.698 -7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.206 10.886 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.353 9.347 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.200 10.013 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.233 11.770 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.149 11.307 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.721 12.185 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.623 13.083 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.527 14.363 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.059 14.029 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.244 13.159 -3.581 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.177 7.842 -6.299 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.464 7.399 -5.773 1.00 0.00 C ATOM 1156 C LEU A 77 -4.852 8.203 -4.536 1.00 0.00 C ATOM 1157 O LEU A 77 -4.231 8.079 -3.481 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.411 5.909 -5.431 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.776 5.001 -6.484 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.607 3.591 -5.941 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.616 4.988 -7.754 1.00 0.00 C ATOM 0 H LEU A 77 -2.382 7.638 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.219 7.563 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.860 5.790 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.428 5.563 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.790 5.395 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.154 2.959 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.964 3.615 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.582 3.187 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.149 4.337 -8.493 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.616 4.619 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.686 5.999 -8.155 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.885 9.028 -4.673 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.361 9.850 -3.567 1.00 0.00 C ATOM 1175 C LYS A 78 -6.869 8.980 -2.422 1.00 0.00 C ATOM 1176 O LYS A 78 -7.138 7.793 -2.604 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.473 10.787 -4.043 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.959 12.081 -4.651 1.00 0.00 C ATOM 1179 CD LYS A 78 -8.004 13.182 -4.584 1.00 0.00 C ATOM 1180 CE LYS A 78 -9.220 12.850 -5.436 1.00 0.00 C ATOM 1181 NZ LYS A 78 -10.096 11.840 -4.782 1.00 0.00 N ATOM 0 H LYS A 78 -6.409 9.145 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.524 10.446 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.084 10.267 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.123 11.024 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.059 12.399 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.676 11.909 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.313 13.329 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.567 14.121 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.791 13.759 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.893 12.474 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.093 12.095 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.912 10.903 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.897 11.816 -3.762 1.00 0.00 H new ATOM 1195 N ASP A 79 -7.001 9.580 -1.244 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.480 8.860 -0.069 1.00 0.00 C ATOM 1197 C ASP A 79 -9.004 8.877 -0.006 1.00 0.00 C ATOM 1198 O ASP A 79 -9.602 8.364 0.940 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.898 9.474 1.204 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.885 10.989 1.163 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -5.967 11.559 0.538 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -7.795 11.606 1.756 1.00 0.00 O ATOM 0 H ASP A 79 -6.783 10.562 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.149 7.825 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.481 9.142 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.881 9.109 1.348 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.627 9.472 -1.018 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.081 9.556 -1.078 1.00 0.00 C ATOM 1209 C ASP A 80 -11.648 8.509 -2.032 1.00 0.00 C ATOM 1210 O ASP A 80 -12.863 8.367 -2.160 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.514 10.955 -1.520 1.00 0.00 C ATOM 1212 CG ASP A 80 -13.008 11.172 -1.374 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -13.504 11.134 -0.228 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -13.680 11.380 -2.405 1.00 0.00 O ATOM 0 H ASP A 80 -9.147 9.903 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.473 9.361 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.982 11.700 -0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.227 11.109 -2.560 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.758 7.781 -2.699 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.171 6.749 -3.643 1.00 0.00 C ATOM 1221 C GLN A 81 -11.148 5.372 -2.988 1.00 0.00 C ATOM 1222 O GLN A 81 -10.848 5.242 -1.800 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.259 6.758 -4.871 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.059 8.140 -5.471 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.234 8.583 -6.320 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.141 8.642 -7.547 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -12.349 8.898 -5.671 1.00 0.00 N ATOM 0 H GLN A 81 -9.748 7.886 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.192 6.965 -3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.288 6.347 -4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.680 6.099 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.903 8.861 -4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.155 8.140 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.382 8.835 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.172 9.203 -6.190 1.00 0.00 H new ATOM 1236 N THR A 82 -11.467 4.345 -3.769 1.00 0.00 N ATOM 1237 CA THR A 82 -11.484 2.977 -3.265 1.00 0.00 C ATOM 1238 C THR A 82 -10.869 2.012 -4.272 1.00 0.00 C ATOM 1239 O THR A 82 -10.697 2.348 -5.445 1.00 0.00 O ATOM 1240 CB THR A 82 -12.918 2.517 -2.939 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.787 2.806 -4.040 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.434 3.204 -1.684 1.00 0.00 C ATOM 0 H THR A 82 -11.717 4.435 -4.754 1.00 0.00 H new ATOM 0 HA THR A 82 -10.891 2.969 -2.351 1.00 0.00 H new ATOM 0 HB THR A 82 -12.901 1.441 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.696 2.509 -3.826 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.448 2.864 -1.474 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.787 2.958 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.438 4.283 -1.835 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.540 0.811 -3.808 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.944 -0.204 -4.670 1.00 0.00 C ATOM 1252 C LEU A 83 -10.773 -0.399 -5.935 1.00 0.00 C ATOM 1253 O LEU A 83 -10.228 -0.564 -7.027 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.821 -1.530 -3.917 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.705 -1.609 -2.875 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.395 -2.025 -3.525 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.548 -0.275 -2.160 1.00 0.00 C ATOM 0 H LEU A 83 -10.676 0.517 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.950 0.137 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.770 -1.732 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.667 -2.326 -4.646 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.976 -2.364 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.613 -2.076 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.514 -3.004 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.118 -1.294 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.749 -0.350 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.300 0.500 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.482 -0.018 -1.660 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.092 -0.378 -5.781 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.997 -0.549 -6.912 1.00 0.00 C ATOM 1271 C ASP A 84 -12.986 0.685 -7.809 1.00 0.00 C ATOM 1272 O ASP A 84 -12.824 0.581 -9.025 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.418 -0.823 -6.419 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.472 -0.384 -7.416 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.728 0.834 -7.510 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.042 -1.259 -8.101 1.00 0.00 O ATOM 0 H ASP A 84 -12.559 -0.244 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.652 -1.403 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.531 -1.889 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.578 -0.304 -5.474 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.159 1.854 -7.200 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.172 3.109 -7.943 1.00 0.00 C ATOM 1283 C PHE A 85 -12.058 3.134 -8.987 1.00 0.00 C ATOM 1284 O PHE A 85 -12.221 3.693 -10.071 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.017 4.293 -6.988 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.432 5.606 -7.588 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.692 6.180 -8.609 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.562 6.265 -7.133 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.071 7.389 -9.163 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.946 7.474 -7.683 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.200 8.035 -8.701 1.00 0.00 C ATOM 0 H PHE A 85 -13.292 1.958 -6.194 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.130 3.189 -8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.611 4.108 -6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.976 4.360 -6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.809 5.678 -8.976 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.150 5.829 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.484 7.827 -9.957 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.828 7.979 -7.317 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.500 8.978 -9.135 1.00 0.00 H new ATOM 1301 N TYR A 86 -10.927 2.524 -8.650 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.785 2.478 -9.556 1.00 0.00 C ATOM 1303 C TYR A 86 -9.742 1.153 -10.311 1.00 0.00 C ATOM 1304 O TYR A 86 -9.239 1.080 -11.432 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.483 2.678 -8.779 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.144 4.130 -8.529 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.961 5.013 -9.586 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.007 4.619 -7.236 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.650 6.340 -9.363 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.698 5.945 -7.003 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.520 6.802 -8.069 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.211 8.123 -7.842 1.00 0.00 O ATOM 0 H TYR A 86 -10.776 2.055 -7.757 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.895 3.285 -10.281 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.558 2.161 -7.822 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.666 2.212 -9.330 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.064 4.655 -10.600 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.144 3.951 -6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.509 7.012 -10.196 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.596 6.309 -5.991 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.020 8.668 -7.931 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.274 0.106 -9.688 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.286 -1.203 -10.315 1.00 0.00 C ATOM 1324 C GLY A 87 -9.124 -2.069 -9.871 1.00 0.00 C ATOM 1325 O GLY A 87 -8.840 -3.099 -10.484 1.00 0.00 O ATOM 0 H GLY A 87 -10.697 0.141 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.223 -1.708 -10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.253 -1.084 -11.398 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.450 -1.652 -8.805 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.313 -2.398 -8.281 1.00 0.00 C ATOM 1331 C ILE A 88 -7.676 -3.859 -8.041 1.00 0.00 C ATOM 1332 O ILE A 88 -8.816 -4.177 -7.703 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.796 -1.786 -6.965 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.194 -0.403 -7.222 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.770 -2.705 -6.321 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.180 0.487 -5.999 1.00 0.00 C ATOM 0 H ILE A 88 -8.672 -0.802 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.526 -2.341 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.636 -1.674 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.174 -0.522 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.760 0.089 -8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.414 -2.259 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.229 -3.670 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.930 -2.846 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.740 1.451 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.200 0.637 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.590 0.016 -5.213 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.699 -4.743 -8.215 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.917 -6.171 -8.016 1.00 0.00 C ATOM 1350 C GLN A 89 -5.786 -6.785 -7.197 1.00 0.00 C ATOM 1351 O GLN A 89 -4.699 -6.220 -7.073 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.032 -6.884 -9.364 1.00 0.00 C ATOM 1353 CG GLN A 89 -8.454 -6.958 -9.894 1.00 0.00 C ATOM 1354 CD GLN A 89 -8.513 -6.965 -11.409 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -8.026 -7.891 -12.056 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -9.112 -5.928 -11.983 1.00 0.00 N ATOM 0 H GLN A 89 -5.749 -4.496 -8.493 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.850 -6.297 -7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.408 -6.367 -10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.637 -7.895 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.934 -7.859 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.023 -6.109 -9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.502 -5.182 -11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.182 -5.878 -12.999 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.046 -7.969 -6.623 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.062 -8.686 -5.806 1.00 0.00 C ATOM 1367 C PRO A 90 -3.905 -9.231 -6.638 1.00 0.00 C ATOM 1368 O PRO A 90 -3.019 -9.907 -6.117 1.00 0.00 O ATOM 1369 CB PRO A 90 -5.872 -9.833 -5.200 1.00 0.00 C ATOM 1370 CG PRO A 90 -6.993 -10.052 -6.157 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.319 -8.700 -6.728 1.00 0.00 C ATOM 0 HA PRO A 90 -4.597 -8.037 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.265 -10.731 -5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.243 -9.575 -4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.704 -10.749 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.858 -10.482 -5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.657 -8.771 -7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.113 -8.207 -6.166 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.921 -8.932 -7.933 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.868 -9.400 -8.815 1.00 0.00 C ATOM 1381 C GLY A 91 -2.065 -8.263 -9.414 1.00 0.00 C ATOM 1382 O GLY A 91 -1.095 -8.492 -10.137 1.00 0.00 O ATOM 0 H GLY A 91 -4.644 -8.374 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.200 -10.059 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.307 -9.993 -9.617 1.00 0.00 H new ATOM 1386 N SER A 92 -2.470 -7.033 -9.116 1.00 0.00 N ATOM 1387 CA SER A 92 -1.785 -5.855 -9.635 1.00 0.00 C ATOM 1388 C SER A 92 -0.668 -5.417 -8.692 1.00 0.00 C ATOM 1389 O SER A 92 -0.504 -5.970 -7.604 1.00 0.00 O ATOM 1390 CB SER A 92 -2.777 -4.708 -9.836 1.00 0.00 C ATOM 1391 OG SER A 92 -3.786 -5.064 -10.765 1.00 0.00 O ATOM 0 H SER A 92 -3.270 -6.826 -8.517 1.00 0.00 H new ATOM 0 HA SER A 92 -1.344 -6.116 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.233 -4.446 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.248 -3.823 -10.190 1.00 0.00 H new ATOM 0 HG SER A 92 -4.408 -4.315 -10.875 1.00 0.00 H new ATOM 1397 N THR A 93 0.100 -4.418 -9.118 1.00 0.00 N ATOM 1398 CA THR A 93 1.202 -3.906 -8.315 1.00 0.00 C ATOM 1399 C THR A 93 1.145 -2.386 -8.208 1.00 0.00 C ATOM 1400 O THR A 93 1.005 -1.688 -9.213 1.00 0.00 O ATOM 1401 CB THR A 93 2.565 -4.316 -8.903 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.654 -5.743 -8.983 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.706 -3.778 -8.053 1.00 0.00 C ATOM 0 H THR A 93 -0.022 -3.948 -10.015 1.00 0.00 H new ATOM 0 HA THR A 93 1.097 -4.342 -7.322 1.00 0.00 H new ATOM 0 HB THR A 93 2.647 -3.890 -9.903 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.523 -5.996 -9.359 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.658 -4.081 -8.489 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.652 -2.690 -8.019 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.626 -4.177 -7.042 1.00 0.00 H new ATOM 1411 N VAL A 94 1.253 -1.879 -6.984 1.00 0.00 N ATOM 1412 CA VAL A 94 1.216 -0.441 -6.747 1.00 0.00 C ATOM 1413 C VAL A 94 2.601 0.097 -6.408 1.00 0.00 C ATOM 1414 O VAL A 94 3.350 -0.520 -5.649 1.00 0.00 O ATOM 1415 CB VAL A 94 0.246 -0.086 -5.604 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -1.111 -0.734 -5.835 1.00 0.00 C ATOM 1417 CG2 VAL A 94 0.826 -0.507 -4.263 1.00 0.00 C ATOM 0 H VAL A 94 1.367 -2.443 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 94 0.866 0.022 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 94 0.108 0.995 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.783 -0.472 -5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.529 -0.378 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.995 -1.817 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.127 -0.249 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.995 -1.584 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.772 0.009 -4.097 1.00 0.00 H new ATOM 1427 N HIS A 95 2.937 1.252 -6.975 1.00 0.00 N ATOM 1428 CA HIS A 95 4.234 1.874 -6.732 1.00 0.00 C ATOM 1429 C HIS A 95 4.129 2.942 -5.647 1.00 0.00 C ATOM 1430 O HIS A 95 3.112 3.627 -5.532 1.00 0.00 O ATOM 1431 CB HIS A 95 4.776 2.491 -8.021 1.00 0.00 C ATOM 1432 CG HIS A 95 5.165 1.478 -9.053 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.363 0.796 -9.025 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.505 1.030 -10.147 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.424 -0.026 -10.057 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.308 0.097 -10.754 1.00 0.00 N ATOM 0 H HIS A 95 2.330 1.776 -7.605 1.00 0.00 H new ATOM 0 HA HIS A 95 4.923 1.101 -6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.021 3.155 -8.442 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.644 3.106 -7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.528 1.348 -10.480 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.246 -0.686 -10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.080 -0.418 -11.605 1.00 0.00 H new ATOM 1445 N VAL A 96 5.186 3.078 -4.853 1.00 0.00 N ATOM 1446 CA VAL A 96 5.213 4.063 -3.778 1.00 0.00 C ATOM 1447 C VAL A 96 6.094 5.252 -4.144 1.00 0.00 C ATOM 1448 O VAL A 96 7.076 5.110 -4.874 1.00 0.00 O ATOM 1449 CB VAL A 96 5.723 3.445 -2.463 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.001 4.530 -1.435 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.722 2.433 -1.926 1.00 0.00 C ATOM 0 H VAL A 96 6.035 2.519 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 96 4.188 4.405 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 96 6.658 2.923 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.360 4.074 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.758 5.212 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.084 5.083 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.099 2.006 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.769 2.928 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.580 1.638 -2.658 1.00 0.00 H new ATOM 1461 N LEU A 97 5.739 6.425 -3.631 1.00 0.00 N ATOM 1462 CA LEU A 97 6.498 7.640 -3.903 1.00 0.00 C ATOM 1463 C LEU A 97 6.962 8.294 -2.605 1.00 0.00 C ATOM 1464 O LEU A 97 6.197 8.406 -1.647 1.00 0.00 O ATOM 1465 CB LEU A 97 5.650 8.626 -4.708 1.00 0.00 C ATOM 1466 CG LEU A 97 6.421 9.633 -5.562 1.00 0.00 C ATOM 1467 CD1 LEU A 97 6.941 10.774 -4.702 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.566 8.947 -6.292 1.00 0.00 C ATOM 0 H LEU A 97 4.930 6.560 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 97 7.377 7.366 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.989 8.057 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.015 9.178 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 97 5.740 10.047 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.487 11.481 -5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.102 11.283 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.607 10.378 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.104 9.679 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.247 8.504 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.168 8.165 -6.939 1.00 0.00 H new ATOM 1480 N ARG A 98 8.219 8.725 -2.582 1.00 0.00 N ATOM 1481 CA ARG A 98 8.785 9.369 -1.403 1.00 0.00 C ATOM 1482 C ARG A 98 8.714 10.888 -1.526 1.00 0.00 C ATOM 1483 O ARG A 98 9.520 11.503 -2.224 1.00 0.00 O ATOM 1484 CB ARG A 98 10.237 8.929 -1.202 1.00 0.00 C ATOM 1485 CG ARG A 98 10.377 7.615 -0.452 1.00 0.00 C ATOM 1486 CD ARG A 98 10.447 7.836 1.050 1.00 0.00 C ATOM 1487 NE ARG A 98 11.644 8.577 1.440 1.00 0.00 N ATOM 1488 CZ ARG A 98 12.840 8.018 1.586 1.00 0.00 C ATOM 1489 NH1 ARG A 98 12.998 6.719 1.376 1.00 0.00 N ATOM 1490 NH2 ARG A 98 13.881 8.760 1.942 1.00 0.00 N ATOM 0 H ARG A 98 8.865 8.640 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 98 8.198 9.065 -0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.717 8.835 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.771 9.707 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.531 6.969 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.276 7.098 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.561 8.380 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.436 6.872 1.559 1.00 0.00 H new ATOM 0 HE ARG A 98 11.557 9.579 1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.200 6.146 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.918 6.292 1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.763 9.760 2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.799 8.330 2.054 1.00 0.00 H new ATOM 1504 N LYS A 99 7.745 11.487 -0.843 1.00 0.00 N ATOM 1505 CA LYS A 99 7.568 12.934 -0.874 1.00 0.00 C ATOM 1506 C LYS A 99 8.889 13.650 -0.606 1.00 0.00 C ATOM 1507 O LYS A 99 9.812 13.073 -0.030 1.00 0.00 O ATOM 1508 CB LYS A 99 6.524 13.364 0.158 1.00 0.00 C ATOM 1509 CG LYS A 99 5.139 12.798 -0.105 1.00 0.00 C ATOM 1510 CD LYS A 99 4.115 13.354 0.870 1.00 0.00 C ATOM 1511 CE LYS A 99 2.721 12.818 0.580 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.672 13.571 1.321 1.00 0.00 N ATOM 0 H LYS A 99 7.069 10.992 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 99 7.220 13.211 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.854 13.050 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.466 14.452 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.836 13.034 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.168 11.711 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.402 13.093 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.107 14.442 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.524 12.879 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.673 11.764 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.737 13.343 0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.698 13.305 2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.847 14.592 1.229 1.00 0.00 H new ATOM 1526 N SER A 100 8.971 14.908 -1.025 1.00 0.00 N ATOM 1527 CA SER A 100 10.179 15.701 -0.831 1.00 0.00 C ATOM 1528 C SER A 100 9.948 16.801 0.201 1.00 0.00 C ATOM 1529 O SER A 100 10.829 17.109 1.003 1.00 0.00 O ATOM 1530 CB SER A 100 10.628 16.318 -2.158 1.00 0.00 C ATOM 1531 OG SER A 100 11.338 15.376 -2.944 1.00 0.00 O ATOM 0 H SER A 100 8.215 15.400 -1.501 1.00 0.00 H new ATOM 0 HA SER A 100 10.962 15.039 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.758 16.675 -2.710 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.260 17.185 -1.964 1.00 0.00 H new ATOM 0 HG SER A 100 11.612 15.794 -3.787 1.00 0.00 H new ATOM 1537 N TRP A 101 8.756 17.387 0.174 1.00 0.00 N ATOM 1538 CA TRP A 101 8.408 18.452 1.107 1.00 0.00 C ATOM 1539 C TRP A 101 7.096 18.144 1.820 1.00 0.00 C ATOM 1540 O TRP A 101 6.114 17.752 1.190 1.00 0.00 O ATOM 1541 CB TRP A 101 8.301 19.789 0.371 1.00 0.00 C ATOM 1542 CG TRP A 101 7.376 20.762 1.037 1.00 0.00 C ATOM 1543 CD1 TRP A 101 6.272 21.350 0.489 1.00 0.00 C ATOM 1544 CD2 TRP A 101 7.477 21.261 2.375 1.00 0.00 C ATOM 1545 NE1 TRP A 101 5.680 22.185 1.406 1.00 0.00 N ATOM 1546 CE2 TRP A 101 6.399 22.147 2.572 1.00 0.00 C ATOM 1547 CE3 TRP A 101 8.370 21.043 3.427 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 6.195 22.815 3.776 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 8.166 21.707 4.622 1.00 0.00 C ATOM 1550 CH2 TRP A 101 7.086 22.583 4.789 1.00 0.00 C ATOM 0 H TRP A 101 8.015 17.143 -0.483 1.00 0.00 H new ATOM 0 HA TRP A 101 9.199 18.519 1.854 1.00 0.00 H new ATOM 0 HB2 TRP A 101 9.293 20.235 0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 101 7.955 19.608 -0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 101 5.916 21.183 -0.517 1.00 0.00 H new ATOM 0 HE1 TRP A 101 4.841 22.743 1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 101 9.205 20.368 3.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.364 23.492 3.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.851 21.548 5.441 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.954 23.085 5.736 1.00 0.00 H new ATOM 1561 N SER A 102 7.086 18.324 3.137 1.00 0.00 N ATOM 1562 CA SER A 102 5.895 18.061 3.936 1.00 0.00 C ATOM 1563 C SER A 102 4.634 18.469 3.180 1.00 0.00 C ATOM 1564 O SER A 102 3.884 17.621 2.698 1.00 0.00 O ATOM 1565 CB SER A 102 5.972 18.812 5.266 1.00 0.00 C ATOM 1566 OG SER A 102 7.096 18.397 6.022 1.00 0.00 O ATOM 0 H SER A 102 7.890 18.651 3.673 1.00 0.00 H new ATOM 0 HA SER A 102 5.849 16.990 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.032 19.884 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.061 18.639 5.838 1.00 0.00 H new ATOM 0 HG SER A 102 7.123 18.893 6.867 1.00 0.00 H new ATOM 1572 N GLY A 103 4.406 19.776 3.083 1.00 0.00 N ATOM 1573 CA GLY A 103 3.236 20.275 2.385 1.00 0.00 C ATOM 1574 C GLY A 103 2.045 20.454 3.306 1.00 0.00 C ATOM 1575 O GLY A 103 1.125 19.637 3.334 1.00 0.00 O ATOM 0 H GLY A 103 5.011 20.497 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.476 21.229 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.972 19.584 1.584 1.00 0.00 H new ATOM 1579 N PRO A 104 2.054 21.547 4.084 1.00 0.00 N ATOM 1580 CA PRO A 104 0.974 21.857 5.027 1.00 0.00 C ATOM 1581 C PRO A 104 -0.317 22.251 4.319 1.00 0.00 C ATOM 1582 O PRO A 104 -0.303 22.635 3.149 1.00 0.00 O ATOM 1583 CB PRO A 104 1.529 23.039 5.826 1.00 0.00 C ATOM 1584 CG PRO A 104 2.519 23.680 4.916 1.00 0.00 C ATOM 1585 CD PRO A 104 3.118 22.565 4.104 1.00 0.00 C ATOM 0 HA PRO A 104 0.710 20.997 5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 104 0.738 23.735 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.999 22.706 6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 104 2.038 24.416 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.287 24.206 5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.377 22.895 3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 104 4.032 22.182 4.559 1.00 0.00 H new ATOM 1593 N SER A 105 -1.433 22.154 5.035 1.00 0.00 N ATOM 1594 CA SER A 105 -2.734 22.498 4.474 1.00 0.00 C ATOM 1595 C SER A 105 -3.115 23.933 4.826 1.00 0.00 C ATOM 1596 O SER A 105 -2.875 24.395 5.941 1.00 0.00 O ATOM 1597 CB SER A 105 -3.805 21.534 4.986 1.00 0.00 C ATOM 1598 OG SER A 105 -4.005 21.687 6.381 1.00 0.00 O ATOM 0 H SER A 105 -1.462 21.840 6.005 1.00 0.00 H new ATOM 0 HA SER A 105 -2.668 22.413 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.742 21.714 4.459 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.509 20.508 4.768 1.00 0.00 H new ATOM 0 HG SER A 105 -4.696 21.061 6.683 1.00 0.00 H new ATOM 1604 N SER A 106 -3.712 24.633 3.865 1.00 0.00 N ATOM 1605 CA SER A 106 -4.124 26.016 4.071 1.00 0.00 C ATOM 1606 C SER A 106 -5.631 26.108 4.286 1.00 0.00 C ATOM 1607 O SER A 106 -6.350 25.117 4.157 1.00 0.00 O ATOM 1608 CB SER A 106 -3.714 26.876 2.873 1.00 0.00 C ATOM 1609 OG SER A 106 -2.308 26.871 2.699 1.00 0.00 O ATOM 0 H SER A 106 -3.921 24.264 2.937 1.00 0.00 H new ATOM 0 HA SER A 106 -3.624 26.389 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.197 26.501 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.062 27.899 3.019 1.00 0.00 H new ATOM 0 HG SER A 106 -2.072 27.426 1.927 1.00 0.00 H new ATOM 1615 N GLY A 107 -6.104 27.306 4.614 1.00 0.00 N ATOM 1616 CA GLY A 107 -7.523 27.507 4.842 1.00 0.00 C ATOM 1617 C GLY A 107 -7.926 28.965 4.745 1.00 0.00 C ATOM 1618 O GLY A 107 -7.245 29.841 5.279 1.00 0.00 O ATOM 0 H GLY A 107 -5.530 28.141 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.090 26.927 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.787 27.125 5.828 1.00 0.00 H new TER 1622 GLY A 107