USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 927 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 120 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 125 SER OG : rot 105:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.068 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 8:sc= 0.156 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 10 THR OG1 : rot 33:sc= 0.488 USER MOD Single : A 14 SER OG : rot 12:sc= 1.25 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0785 USER MOD Single : A 20 SER OG : rot -56:sc= 0.35 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -55:sc= -0.0333 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.22) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -4.01! C(o=-4!,f=-14!) USER MOD Single : A 53 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.0075) USER MOD Single : A 54 ASN : amide:sc= 0.347 K(o=0.35,f=-7.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= -1.33! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 35:sc= 0.451 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 72 GLN : amide:sc= -0.432 K(o=-0.43,f=-3.1!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -5.39! C(o=-5.4!,f=-18!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.013) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00299 USER MOD Single : A 92 SER OG : rot 79:sc= 0.0884 USER MOD Single : A 93 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.68) USER MOD Single : A 94 TYR OH : rot 30:sc= 0.00694 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.96! C(o=-2!,f=-13!) USER MOD Single : A 103 ASN : amide:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -129:sc= -0.23 USER MOD Single : A 119 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-0.2) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -47.673 -15.450 0.813 1.00 0.00 N ATOM 2 CA GLY A 1 -47.039 -14.145 0.810 1.00 0.00 C ATOM 3 C GLY A 1 -46.017 -13.999 -0.300 1.00 0.00 C ATOM 4 O GLY A 1 -46.029 -14.760 -1.268 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.705 -15.335 0.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 -47.337 -16.001 -0.002 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.433 -15.951 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.802 -13.374 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -46.553 -13.978 1.771 1.00 0.00 H new ATOM 8 N SER A 2 -45.130 -13.019 -0.161 1.00 0.00 N ATOM 9 CA SER A 2 -44.100 -12.772 -1.163 1.00 0.00 C ATOM 10 C SER A 2 -42.839 -12.205 -0.517 1.00 0.00 C ATOM 11 O SER A 2 -42.813 -11.930 0.683 1.00 0.00 O ATOM 12 CB SER A 2 -44.618 -11.808 -2.231 1.00 0.00 C ATOM 13 OG SER A 2 -45.059 -10.593 -1.651 1.00 0.00 O ATOM 0 H SER A 2 -45.104 -12.383 0.636 1.00 0.00 H new ATOM 0 HA SER A 2 -43.850 -13.723 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.829 -11.604 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 2 -45.439 -12.273 -2.777 1.00 0.00 H new ATOM 0 HG SER A 2 -45.384 -9.993 -2.355 1.00 0.00 H new ATOM 19 N SER A 3 -41.796 -12.032 -1.322 1.00 0.00 N ATOM 20 CA SER A 3 -40.530 -11.501 -0.830 1.00 0.00 C ATOM 21 C SER A 3 -39.847 -10.650 -1.896 1.00 0.00 C ATOM 22 O SER A 3 -40.275 -10.617 -3.049 1.00 0.00 O ATOM 23 CB SER A 3 -39.606 -12.642 -0.402 1.00 0.00 C ATOM 24 OG SER A 3 -40.021 -13.199 0.834 1.00 0.00 O ATOM 0 H SER A 3 -41.802 -12.252 -2.318 1.00 0.00 H new ATOM 0 HA SER A 3 -40.740 -10.870 0.034 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.600 -13.416 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.584 -12.273 -0.313 1.00 0.00 H new ATOM 0 HG SER A 3 -40.889 -12.822 1.088 1.00 0.00 H new ATOM 30 N GLY A 4 -38.779 -9.962 -1.501 1.00 0.00 N ATOM 31 CA GLY A 4 -38.053 -9.120 -2.433 1.00 0.00 C ATOM 32 C GLY A 4 -36.636 -8.837 -1.976 1.00 0.00 C ATOM 33 O GLY A 4 -36.101 -9.539 -1.118 1.00 0.00 O ATOM 0 H GLY A 4 -38.404 -9.973 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.027 -9.603 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -38.586 -8.178 -2.558 1.00 0.00 H new ATOM 37 N SER A 5 -36.025 -7.805 -2.550 1.00 0.00 N ATOM 38 CA SER A 5 -34.660 -7.434 -2.200 1.00 0.00 C ATOM 39 C SER A 5 -34.313 -6.054 -2.752 1.00 0.00 C ATOM 40 O SER A 5 -35.102 -5.447 -3.476 1.00 0.00 O ATOM 41 CB SER A 5 -33.673 -8.473 -2.735 1.00 0.00 C ATOM 42 OG SER A 5 -33.736 -8.556 -4.148 1.00 0.00 O ATOM 0 H SER A 5 -36.455 -7.211 -3.260 1.00 0.00 H new ATOM 0 HA SER A 5 -34.587 -7.400 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.661 -8.210 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.895 -9.448 -2.300 1.00 0.00 H new ATOM 0 HG SER A 5 -33.095 -9.226 -4.465 1.00 0.00 H new ATOM 48 N SER A 6 -33.127 -5.566 -2.405 1.00 0.00 N ATOM 49 CA SER A 6 -32.676 -4.257 -2.863 1.00 0.00 C ATOM 50 C SER A 6 -31.222 -4.313 -3.323 1.00 0.00 C ATOM 51 O SER A 6 -30.539 -5.320 -3.138 1.00 0.00 O ATOM 52 CB SER A 6 -32.829 -3.222 -1.746 1.00 0.00 C ATOM 53 OG SER A 6 -34.123 -2.644 -1.761 1.00 0.00 O ATOM 0 H SER A 6 -32.461 -6.057 -1.808 1.00 0.00 H new ATOM 0 HA SER A 6 -33.296 -3.963 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.650 -3.695 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.077 -2.442 -1.863 1.00 0.00 H new ATOM 0 HG SER A 6 -34.196 -1.987 -1.037 1.00 0.00 H new ATOM 59 N GLY A 7 -30.755 -3.223 -3.924 1.00 0.00 N ATOM 60 CA GLY A 7 -29.386 -3.168 -4.402 1.00 0.00 C ATOM 61 C GLY A 7 -29.246 -2.347 -5.668 1.00 0.00 C ATOM 62 O GLY A 7 -29.498 -2.825 -6.774 1.00 0.00 O ATOM 0 H GLY A 7 -31.300 -2.377 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.750 -2.743 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.029 -4.181 -4.588 1.00 0.00 H new ATOM 66 N PRO A 8 -28.839 -1.078 -5.514 1.00 0.00 N ATOM 67 CA PRO A 8 -28.658 -0.162 -6.644 1.00 0.00 C ATOM 68 C PRO A 8 -27.466 -0.543 -7.514 1.00 0.00 C ATOM 69 O PRO A 8 -26.832 -1.576 -7.299 1.00 0.00 O ATOM 70 CB PRO A 8 -28.417 1.190 -5.968 1.00 0.00 C ATOM 71 CG PRO A 8 -27.866 0.851 -4.626 1.00 0.00 C ATOM 72 CD PRO A 8 -28.521 -0.441 -4.225 1.00 0.00 C ATOM 0 HA PRO A 8 -29.515 -0.171 -7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -27.718 1.799 -6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -29.342 1.761 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -26.782 0.744 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -28.083 1.639 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -27.854 -1.060 -3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -29.418 -0.269 -3.630 1.00 0.00 H new ATOM 80 N ALA A 9 -27.165 0.298 -8.498 1.00 0.00 N ATOM 81 CA ALA A 9 -26.047 0.051 -9.400 1.00 0.00 C ATOM 82 C ALA A 9 -24.744 0.592 -8.821 1.00 0.00 C ATOM 83 O ALA A 9 -24.367 1.736 -9.076 1.00 0.00 O ATOM 84 CB ALA A 9 -26.319 0.671 -10.762 1.00 0.00 C ATOM 0 H ALA A 9 -27.680 1.157 -8.691 1.00 0.00 H new ATOM 0 HA ALA A 9 -25.941 -1.027 -9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -25.475 0.478 -11.425 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -27.222 0.233 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -26.455 1.747 -10.651 1.00 0.00 H new ATOM 90 N THR A 10 -24.060 -0.237 -8.039 1.00 0.00 N ATOM 91 CA THR A 10 -22.800 0.160 -7.421 1.00 0.00 C ATOM 92 C THR A 10 -21.809 -0.999 -7.402 1.00 0.00 C ATOM 93 O THR A 10 -22.013 -1.991 -6.701 1.00 0.00 O ATOM 94 CB THR A 10 -23.014 0.662 -5.981 1.00 0.00 C ATOM 95 OG1 THR A 10 -23.707 -0.329 -5.214 1.00 0.00 O ATOM 96 CG2 THR A 10 -23.805 1.961 -5.973 1.00 0.00 C ATOM 0 H THR A 10 -24.357 -1.188 -7.818 1.00 0.00 H new ATOM 0 HA THR A 10 -22.394 0.972 -8.024 1.00 0.00 H new ATOM 0 HB THR A 10 -22.037 0.847 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.445 -1.222 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 10 -23.944 2.296 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.261 2.722 -6.533 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.778 1.797 -6.436 1.00 0.00 H new ATOM 104 N ASP A 11 -20.736 -0.866 -8.173 1.00 0.00 N ATOM 105 CA ASP A 11 -19.712 -1.902 -8.243 1.00 0.00 C ATOM 106 C ASP A 11 -18.371 -1.375 -7.739 1.00 0.00 C ATOM 107 O ASP A 11 -17.685 -2.039 -6.962 1.00 0.00 O ATOM 108 CB ASP A 11 -19.567 -2.410 -9.678 1.00 0.00 C ATOM 109 CG ASP A 11 -18.638 -3.604 -9.778 1.00 0.00 C ATOM 110 OD1 ASP A 11 -17.438 -3.450 -9.468 1.00 0.00 O ATOM 111 OD2 ASP A 11 -19.111 -4.693 -10.165 1.00 0.00 O ATOM 0 H ASP A 11 -20.552 -0.051 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 11 -20.022 -2.728 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -20.549 -2.684 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -19.189 -1.605 -10.309 1.00 0.00 H new ATOM 116 N TRP A 12 -18.006 -0.179 -8.187 1.00 0.00 N ATOM 117 CA TRP A 12 -16.747 0.436 -7.782 1.00 0.00 C ATOM 118 C TRP A 12 -16.995 1.727 -7.010 1.00 0.00 C ATOM 119 O TRP A 12 -17.303 2.764 -7.598 1.00 0.00 O ATOM 120 CB TRP A 12 -15.877 0.720 -9.008 1.00 0.00 C ATOM 121 CG TRP A 12 -15.875 -0.398 -10.007 1.00 0.00 C ATOM 122 CD1 TRP A 12 -15.396 -1.663 -9.820 1.00 0.00 C ATOM 123 CD2 TRP A 12 -16.373 -0.349 -11.348 1.00 0.00 C ATOM 124 NE1 TRP A 12 -15.567 -2.404 -10.964 1.00 0.00 N ATOM 125 CE2 TRP A 12 -16.165 -1.622 -11.916 1.00 0.00 C ATOM 126 CE3 TRP A 12 -16.977 0.644 -12.124 1.00 0.00 C ATOM 127 CZ2 TRP A 12 -16.538 -1.923 -13.223 1.00 0.00 C ATOM 128 CZ3 TRP A 12 -17.346 0.343 -13.421 1.00 0.00 C ATOM 129 CH2 TRP A 12 -17.127 -0.932 -13.960 1.00 0.00 C ATOM 0 H TRP A 12 -18.563 0.384 -8.830 1.00 0.00 H new ATOM 0 HA TRP A 12 -16.225 -0.262 -7.128 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -16.231 1.630 -9.493 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -14.854 0.909 -8.683 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -14.949 -2.027 -8.907 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -15.293 -3.379 -11.085 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -17.152 1.629 -11.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -16.368 -2.904 -13.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -17.811 1.104 -14.030 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -17.429 -1.136 -14.977 1.00 0.00 H new ATOM 140 N LEU A 13 -16.859 1.657 -5.690 1.00 0.00 N ATOM 141 CA LEU A 13 -17.069 2.821 -4.837 1.00 0.00 C ATOM 142 C LEU A 13 -15.927 3.821 -4.990 1.00 0.00 C ATOM 143 O LEU A 13 -16.136 4.957 -5.414 1.00 0.00 O ATOM 144 CB LEU A 13 -17.193 2.390 -3.374 1.00 0.00 C ATOM 145 CG LEU A 13 -18.509 1.718 -2.982 1.00 0.00 C ATOM 146 CD1 LEU A 13 -18.670 0.394 -3.712 1.00 0.00 C ATOM 147 CD2 LEU A 13 -18.573 1.510 -1.475 1.00 0.00 C ATOM 0 H LEU A 13 -16.604 0.807 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.995 3.305 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -16.376 1.704 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -17.055 3.269 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 13 -19.330 2.372 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -19.612 -0.070 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.669 0.569 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -17.844 -0.268 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -19.516 1.031 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -17.744 0.876 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -18.504 2.474 -0.971 1.00 0.00 H new ATOM 159 N SER A 14 -14.719 3.389 -4.642 1.00 0.00 N ATOM 160 CA SER A 14 -13.544 4.247 -4.739 1.00 0.00 C ATOM 161 C SER A 14 -12.262 3.430 -4.601 1.00 0.00 C ATOM 162 O SER A 14 -12.214 2.451 -3.857 1.00 0.00 O ATOM 163 CB SER A 14 -13.588 5.332 -3.662 1.00 0.00 C ATOM 164 OG SER A 14 -14.440 6.398 -4.047 1.00 0.00 O ATOM 0 H SER A 14 -14.528 2.451 -4.291 1.00 0.00 H new ATOM 0 HA SER A 14 -13.550 4.719 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.938 4.903 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.582 5.712 -3.483 1.00 0.00 H new ATOM 0 HG SER A 14 -14.968 6.129 -4.827 1.00 0.00 H new ATOM 170 N ALA A 15 -11.226 3.840 -5.325 1.00 0.00 N ATOM 171 CA ALA A 15 -9.943 3.149 -5.283 1.00 0.00 C ATOM 172 C ALA A 15 -8.803 4.125 -5.013 1.00 0.00 C ATOM 173 O ALA A 15 -8.117 4.562 -5.936 1.00 0.00 O ATOM 174 CB ALA A 15 -9.704 2.401 -6.586 1.00 0.00 C ATOM 0 H ALA A 15 -11.250 4.647 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.972 2.430 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.742 1.890 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.498 1.669 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.700 3.108 -7.416 1.00 0.00 H new ATOM 180 N GLU A 16 -8.606 4.461 -3.742 1.00 0.00 N ATOM 181 CA GLU A 16 -7.549 5.387 -3.352 1.00 0.00 C ATOM 182 C GLU A 16 -6.619 4.749 -2.324 1.00 0.00 C ATOM 183 O GLU A 16 -6.218 5.389 -1.351 1.00 0.00 O ATOM 184 CB GLU A 16 -8.151 6.674 -2.784 1.00 0.00 C ATOM 185 CG GLU A 16 -9.027 6.448 -1.563 1.00 0.00 C ATOM 186 CD GLU A 16 -9.251 7.717 -0.764 1.00 0.00 C ATOM 187 OE1 GLU A 16 -8.272 8.456 -0.536 1.00 0.00 O ATOM 188 OE2 GLU A 16 -10.408 7.970 -0.366 1.00 0.00 O ATOM 0 H GLU A 16 -9.164 4.106 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.967 5.629 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.344 7.357 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.742 7.162 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.990 6.048 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.565 5.697 -0.923 1.00 0.00 H new ATOM 195 N THR A 17 -6.280 3.483 -2.546 1.00 0.00 N ATOM 196 CA THR A 17 -5.400 2.757 -1.639 1.00 0.00 C ATOM 197 C THR A 17 -4.798 1.533 -2.319 1.00 0.00 C ATOM 198 O THR A 17 -5.297 1.073 -3.347 1.00 0.00 O ATOM 199 CB THR A 17 -6.147 2.310 -0.369 1.00 0.00 C ATOM 200 OG1 THR A 17 -5.231 1.708 0.552 1.00 0.00 O ATOM 201 CG2 THR A 17 -7.252 1.322 -0.711 1.00 0.00 C ATOM 0 H THR A 17 -6.602 2.939 -3.347 1.00 0.00 H new ATOM 0 HA THR A 17 -4.601 3.443 -1.358 1.00 0.00 H new ATOM 0 HB THR A 17 -6.597 3.190 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.714 1.428 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.766 1.020 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.964 1.793 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.819 0.444 -1.191 1.00 0.00 H new ATOM 209 N PHE A 18 -3.724 1.008 -1.740 1.00 0.00 N ATOM 210 CA PHE A 18 -3.054 -0.165 -2.291 1.00 0.00 C ATOM 211 C PHE A 18 -3.845 -1.434 -1.991 1.00 0.00 C ATOM 212 O PHE A 18 -3.753 -1.991 -0.897 1.00 0.00 O ATOM 213 CB PHE A 18 -1.639 -0.285 -1.720 1.00 0.00 C ATOM 214 CG PHE A 18 -0.673 0.710 -2.298 1.00 0.00 C ATOM 215 CD1 PHE A 18 -0.960 2.065 -2.278 1.00 0.00 C ATOM 216 CD2 PHE A 18 0.522 0.290 -2.859 1.00 0.00 C ATOM 217 CE1 PHE A 18 -0.074 2.983 -2.809 1.00 0.00 C ATOM 218 CE2 PHE A 18 1.412 1.203 -3.392 1.00 0.00 C ATOM 219 CZ PHE A 18 1.115 2.551 -3.366 1.00 0.00 C ATOM 0 H PHE A 18 -3.298 1.376 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.993 -0.044 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.680 -0.154 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.265 -1.292 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.887 2.408 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.761 -0.763 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.310 4.037 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.339 0.862 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.810 3.266 -3.780 1.00 0.00 H new ATOM 229 N GLU A 19 -4.623 -1.885 -2.970 1.00 0.00 N ATOM 230 CA GLU A 19 -5.431 -3.088 -2.810 1.00 0.00 C ATOM 231 C GLU A 19 -4.565 -4.275 -2.400 1.00 0.00 C ATOM 232 O GLU A 19 -3.408 -4.383 -2.807 1.00 0.00 O ATOM 233 CB GLU A 19 -6.172 -3.408 -4.111 1.00 0.00 C ATOM 234 CG GLU A 19 -7.390 -4.296 -3.915 1.00 0.00 C ATOM 235 CD GLU A 19 -8.402 -3.695 -2.959 1.00 0.00 C ATOM 236 OE1 GLU A 19 -8.205 -3.818 -1.732 1.00 0.00 O ATOM 237 OE2 GLU A 19 -9.390 -3.102 -3.438 1.00 0.00 O ATOM 0 H GLU A 19 -4.711 -1.436 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.160 -2.903 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.485 -2.475 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.484 -3.897 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.866 -4.471 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.070 -5.267 -3.537 1.00 0.00 H new ATOM 244 N SER A 20 -5.134 -5.163 -1.591 1.00 0.00 N ATOM 245 CA SER A 20 -4.413 -6.341 -1.121 1.00 0.00 C ATOM 246 C SER A 20 -4.466 -7.460 -2.157 1.00 0.00 C ATOM 247 O SER A 20 -4.787 -8.604 -1.835 1.00 0.00 O ATOM 248 CB SER A 20 -5.000 -6.829 0.205 1.00 0.00 C ATOM 249 OG SER A 20 -4.213 -7.869 0.759 1.00 0.00 O ATOM 0 H SER A 20 -6.092 -5.089 -1.247 1.00 0.00 H new ATOM 0 HA SER A 20 -3.371 -6.061 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.058 -5.998 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.018 -7.184 0.047 1.00 0.00 H new ATOM 0 HG SER A 20 -4.133 -8.599 0.110 1.00 0.00 H new ATOM 255 N ASP A 21 -4.151 -7.120 -3.402 1.00 0.00 N ATOM 256 CA ASP A 21 -4.161 -8.095 -4.486 1.00 0.00 C ATOM 257 C ASP A 21 -2.740 -8.457 -4.905 1.00 0.00 C ATOM 258 O ASP A 21 -2.405 -9.633 -5.053 1.00 0.00 O ATOM 259 CB ASP A 21 -4.936 -7.547 -5.686 1.00 0.00 C ATOM 260 CG ASP A 21 -4.450 -8.123 -7.001 1.00 0.00 C ATOM 261 OD1 ASP A 21 -3.325 -7.777 -7.420 1.00 0.00 O ATOM 262 OD2 ASP A 21 -5.193 -8.919 -7.611 1.00 0.00 O ATOM 0 H ASP A 21 -3.886 -6.177 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.655 -8.997 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.996 -7.772 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.841 -6.461 -5.711 1.00 0.00 H new ATOM 267 N LEU A 22 -1.908 -7.439 -5.097 1.00 0.00 N ATOM 268 CA LEU A 22 -0.522 -7.650 -5.500 1.00 0.00 C ATOM 269 C LEU A 22 0.177 -8.627 -4.560 1.00 0.00 C ATOM 270 O LEU A 22 -0.404 -9.076 -3.572 1.00 0.00 O ATOM 271 CB LEU A 22 0.231 -6.319 -5.522 1.00 0.00 C ATOM 272 CG LEU A 22 -0.006 -5.433 -6.746 1.00 0.00 C ATOM 273 CD1 LEU A 22 0.187 -3.967 -6.390 1.00 0.00 C ATOM 274 CD2 LEU A 22 0.921 -5.835 -7.883 1.00 0.00 C ATOM 0 H LEU A 22 -2.169 -6.460 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.523 -8.078 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.044 -5.754 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.299 -6.527 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.035 -5.572 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.014 -3.352 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.519 -3.686 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.205 -3.810 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.738 -5.194 -8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.957 -5.726 -7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.733 -6.873 -8.156 1.00 0.00 H new ATOM 286 N ASP A 23 1.426 -8.950 -4.874 1.00 0.00 N ATOM 287 CA ASP A 23 2.206 -9.872 -4.055 1.00 0.00 C ATOM 288 C ASP A 23 2.649 -9.204 -2.757 1.00 0.00 C ATOM 289 O ASP A 23 3.646 -8.484 -2.728 1.00 0.00 O ATOM 290 CB ASP A 23 3.428 -10.368 -4.831 1.00 0.00 C ATOM 291 CG ASP A 23 3.872 -11.749 -4.390 1.00 0.00 C ATOM 292 OD1 ASP A 23 4.252 -11.901 -3.210 1.00 0.00 O ATOM 293 OD2 ASP A 23 3.840 -12.677 -5.225 1.00 0.00 O ATOM 0 H ASP A 23 1.921 -8.588 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 23 1.573 -10.724 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.196 -10.387 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.250 -9.665 -4.697 1.00 0.00 H new ATOM 298 N GLU A 24 1.900 -9.448 -1.686 1.00 0.00 N ATOM 299 CA GLU A 24 2.215 -8.868 -0.386 1.00 0.00 C ATOM 300 C GLU A 24 2.423 -9.960 0.660 1.00 0.00 C ATOM 301 O GLU A 24 2.143 -9.763 1.844 1.00 0.00 O ATOM 302 CB GLU A 24 1.097 -7.924 0.061 1.00 0.00 C ATOM 303 CG GLU A 24 1.530 -6.927 1.122 1.00 0.00 C ATOM 304 CD GLU A 24 0.362 -6.381 1.921 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.378 -7.189 2.519 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.189 -5.144 1.947 1.00 0.00 O ATOM 0 H GLU A 24 1.072 -10.043 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 24 3.141 -8.301 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.724 -7.380 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.267 -8.515 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.236 -7.407 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.057 -6.101 0.645 1.00 0.00 H new ATOM 313 N THR A 25 2.915 -11.112 0.216 1.00 0.00 N ATOM 314 CA THR A 25 3.159 -12.235 1.111 1.00 0.00 C ATOM 315 C THR A 25 4.651 -12.433 1.352 1.00 0.00 C ATOM 316 O THR A 25 5.053 -13.078 2.321 1.00 0.00 O ATOM 317 CB THR A 25 2.564 -13.541 0.550 1.00 0.00 C ATOM 318 OG1 THR A 25 2.789 -14.616 1.469 1.00 0.00 O ATOM 319 CG2 THR A 25 3.180 -13.881 -0.798 1.00 0.00 C ATOM 0 H THR A 25 3.152 -11.291 -0.760 1.00 0.00 H new ATOM 0 HA THR A 25 2.670 -11.997 2.055 1.00 0.00 H new ATOM 0 HB THR A 25 1.492 -13.398 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.407 -15.442 1.106 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.744 -14.807 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.981 -13.074 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.257 -14.007 -0.685 1.00 0.00 H new ATOM 327 N ARG A 26 5.468 -11.873 0.466 1.00 0.00 N ATOM 328 CA ARG A 26 6.916 -11.989 0.582 1.00 0.00 C ATOM 329 C ARG A 26 7.575 -10.612 0.562 1.00 0.00 C ATOM 330 O ARG A 26 7.086 -9.688 -0.088 1.00 0.00 O ATOM 331 CB ARG A 26 7.474 -12.849 -0.553 1.00 0.00 C ATOM 332 CG ARG A 26 7.320 -12.217 -1.928 1.00 0.00 C ATOM 333 CD ARG A 26 8.434 -12.651 -2.867 1.00 0.00 C ATOM 334 NE ARG A 26 8.017 -12.611 -4.266 1.00 0.00 N ATOM 335 CZ ARG A 26 8.859 -12.716 -5.288 1.00 0.00 C ATOM 336 NH1 ARG A 26 10.158 -12.869 -5.068 1.00 0.00 N ATOM 337 NH2 ARG A 26 8.403 -12.671 -6.533 1.00 0.00 N ATOM 0 H ARG A 26 5.151 -11.334 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 26 7.141 -12.468 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.531 -13.041 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.969 -13.815 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.355 -12.496 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.324 -11.131 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.299 -12.002 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.750 -13.662 -2.612 1.00 0.00 H new ATOM 0 HE ARG A 26 7.024 -12.496 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.512 -12.906 -4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.802 -12.949 -5.855 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.405 -12.556 -6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.051 -12.752 -7.317 1.00 0.00 H new ATOM 351 N VAL A 27 8.686 -10.483 1.280 1.00 0.00 N ATOM 352 CA VAL A 27 9.412 -9.220 1.345 1.00 0.00 C ATOM 353 C VAL A 27 10.216 -8.983 0.072 1.00 0.00 C ATOM 354 O VAL A 27 10.778 -9.906 -0.519 1.00 0.00 O ATOM 355 CB VAL A 27 10.364 -9.181 2.555 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.617 -9.529 3.834 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.537 -10.126 2.340 1.00 0.00 C ATOM 0 H VAL A 27 9.103 -11.238 1.825 1.00 0.00 H new ATOM 0 HA VAL A 27 8.667 -8.432 1.453 1.00 0.00 H new ATOM 0 HB VAL A 27 10.755 -8.169 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.306 -9.496 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.814 -8.810 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.196 -10.531 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.200 -10.086 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.166 -11.143 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.086 -9.827 1.447 1.00 0.00 H new ATOM 367 N PRO A 28 10.274 -7.715 -0.364 1.00 0.00 N ATOM 368 CA PRO A 28 11.009 -7.326 -1.572 1.00 0.00 C ATOM 369 C PRO A 28 12.519 -7.438 -1.393 1.00 0.00 C ATOM 370 O PRO A 28 13.143 -6.584 -0.764 1.00 0.00 O ATOM 371 CB PRO A 28 10.601 -5.866 -1.779 1.00 0.00 C ATOM 372 CG PRO A 28 10.223 -5.381 -0.422 1.00 0.00 C ATOM 373 CD PRO A 28 9.629 -6.565 0.290 1.00 0.00 C ATOM 0 HA PRO A 28 10.775 -7.972 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.422 -5.281 -2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.767 -5.783 -2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.093 -5.000 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.505 -4.563 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.842 -6.539 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.545 -6.597 0.181 1.00 0.00 H new ATOM 381 N GLU A 29 13.100 -8.495 -1.950 1.00 0.00 N ATOM 382 CA GLU A 29 14.538 -8.717 -1.851 1.00 0.00 C ATOM 383 C GLU A 29 15.311 -7.546 -2.451 1.00 0.00 C ATOM 384 O GLU A 29 14.723 -6.614 -2.998 1.00 0.00 O ATOM 385 CB GLU A 29 14.926 -10.016 -2.561 1.00 0.00 C ATOM 386 CG GLU A 29 14.367 -10.131 -3.969 1.00 0.00 C ATOM 387 CD GLU A 29 15.232 -10.989 -4.871 1.00 0.00 C ATOM 388 OE1 GLU A 29 15.257 -12.222 -4.674 1.00 0.00 O ATOM 389 OE2 GLU A 29 15.885 -10.427 -5.776 1.00 0.00 O ATOM 0 H GLU A 29 12.598 -9.211 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 29 14.796 -8.798 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.013 -10.086 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.575 -10.862 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.364 -10.554 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.274 -9.135 -4.401 1.00 0.00 H new ATOM 396 N VAL A 30 16.635 -7.603 -2.344 1.00 0.00 N ATOM 397 CA VAL A 30 17.491 -6.548 -2.876 1.00 0.00 C ATOM 398 C VAL A 30 16.912 -5.967 -4.161 1.00 0.00 C ATOM 399 O VAL A 30 16.475 -6.689 -5.057 1.00 0.00 O ATOM 400 CB VAL A 30 18.913 -7.068 -3.156 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.862 -8.359 -3.958 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.732 -6.011 -3.882 1.00 0.00 C ATOM 0 H VAL A 30 17.138 -8.368 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 30 17.540 -5.767 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 30 19.398 -7.280 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.876 -8.711 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 30 18.314 -9.115 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.359 -8.178 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.734 -6.395 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 30 19.252 -5.766 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.798 -5.115 -3.265 1.00 0.00 H new ATOM 412 N PRO A 31 16.908 -4.629 -4.256 1.00 0.00 N ATOM 413 CA PRO A 31 16.387 -3.920 -5.428 1.00 0.00 C ATOM 414 C PRO A 31 17.271 -4.102 -6.657 1.00 0.00 C ATOM 415 O PRO A 31 18.302 -4.773 -6.597 1.00 0.00 O ATOM 416 CB PRO A 31 16.384 -2.455 -4.984 1.00 0.00 C ATOM 417 CG PRO A 31 17.434 -2.377 -3.930 1.00 0.00 C ATOM 418 CD PRO A 31 17.414 -3.705 -3.226 1.00 0.00 C ATOM 0 HA PRO A 31 15.407 -4.292 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.609 -1.788 -5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.409 -2.161 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.413 -2.182 -4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.229 -1.563 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.407 -3.992 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.766 -3.686 -2.350 1.00 0.00 H new ATOM 426 N SER A 32 16.862 -3.502 -7.769 1.00 0.00 N ATOM 427 CA SER A 32 17.616 -3.601 -9.014 1.00 0.00 C ATOM 428 C SER A 32 19.073 -3.203 -8.799 1.00 0.00 C ATOM 429 O SER A 32 19.990 -3.908 -9.221 1.00 0.00 O ATOM 430 CB SER A 32 16.986 -2.714 -10.089 1.00 0.00 C ATOM 431 OG SER A 32 15.986 -3.415 -10.808 1.00 0.00 O ATOM 0 H SER A 32 16.012 -2.942 -7.834 1.00 0.00 H new ATOM 0 HA SER A 32 17.586 -4.639 -9.347 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.551 -1.828 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.757 -2.368 -10.777 1.00 0.00 H new ATOM 0 HG SER A 32 16.366 -4.239 -11.178 1.00 0.00 H new ATOM 437 N SER A 33 19.279 -2.067 -8.140 1.00 0.00 N ATOM 438 CA SER A 33 20.624 -1.571 -7.872 1.00 0.00 C ATOM 439 C SER A 33 20.578 -0.329 -6.988 1.00 0.00 C ATOM 440 O SER A 33 19.513 0.078 -6.522 1.00 0.00 O ATOM 441 CB SER A 33 21.343 -1.252 -9.184 1.00 0.00 C ATOM 442 OG SER A 33 20.623 -0.294 -9.940 1.00 0.00 O ATOM 0 H SER A 33 18.531 -1.473 -7.782 1.00 0.00 H new ATOM 0 HA SER A 33 21.175 -2.350 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.343 -0.875 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.463 -2.165 -9.768 1.00 0.00 H new ATOM 0 HG SER A 33 21.104 -0.106 -10.773 1.00 0.00 H new ATOM 448 N LEU A 34 21.742 0.271 -6.761 1.00 0.00 N ATOM 449 CA LEU A 34 21.838 1.468 -5.933 1.00 0.00 C ATOM 450 C LEU A 34 23.009 2.341 -6.371 1.00 0.00 C ATOM 451 O LEU A 34 24.150 1.882 -6.436 1.00 0.00 O ATOM 452 CB LEU A 34 21.997 1.082 -4.461 1.00 0.00 C ATOM 453 CG LEU A 34 22.792 2.059 -3.594 1.00 0.00 C ATOM 454 CD1 LEU A 34 22.005 3.343 -3.377 1.00 0.00 C ATOM 455 CD2 LEU A 34 23.149 1.419 -2.260 1.00 0.00 C ATOM 0 H LEU A 34 22.632 -0.052 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 34 20.918 2.039 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 34 21.004 0.967 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.481 0.107 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 34 23.717 2.307 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.587 4.026 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.800 3.811 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 34 21.064 3.113 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.715 2.128 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 34 22.236 1.141 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.753 0.528 -2.434 1.00 0.00 H new ATOM 467 N HIS A 35 22.719 3.604 -6.670 1.00 0.00 N ATOM 468 CA HIS A 35 23.749 4.543 -7.100 1.00 0.00 C ATOM 469 C HIS A 35 23.957 5.636 -6.056 1.00 0.00 C ATOM 470 O HIS A 35 22.999 6.140 -5.470 1.00 0.00 O ATOM 471 CB HIS A 35 23.370 5.169 -8.442 1.00 0.00 C ATOM 472 CG HIS A 35 24.147 6.409 -8.765 1.00 0.00 C ATOM 473 ND1 HIS A 35 23.556 7.570 -9.216 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.474 6.664 -8.698 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.487 8.486 -9.415 1.00 0.00 C ATOM 476 NE2 HIS A 35 25.660 7.962 -9.107 1.00 0.00 N ATOM 0 H HIS A 35 21.780 4.000 -6.622 1.00 0.00 H new ATOM 0 HA HIS A 35 24.683 3.993 -7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.527 4.436 -9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.307 5.408 -8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.244 5.975 -8.382 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.318 9.492 -9.769 1.00 0.00 H new ATOM 0 HE2 HIS A 35 26.558 8.443 -9.164 1.00 0.00 H new ATOM 485 N VAL A 36 25.216 5.997 -5.827 1.00 0.00 N ATOM 486 CA VAL A 36 25.550 7.030 -4.854 1.00 0.00 C ATOM 487 C VAL A 36 26.591 7.995 -5.411 1.00 0.00 C ATOM 488 O VAL A 36 27.519 7.586 -6.110 1.00 0.00 O ATOM 489 CB VAL A 36 26.083 6.418 -3.545 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.050 5.483 -2.933 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.394 5.687 -3.794 1.00 0.00 C ATOM 0 H VAL A 36 26.021 5.589 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 36 24.630 7.575 -4.644 1.00 0.00 H new ATOM 0 HB VAL A 36 26.272 7.225 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.444 5.060 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.138 6.040 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.827 4.679 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.756 5.261 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.233 4.889 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.133 6.387 -4.184 1.00 0.00 H new ATOM 501 N ARG A 37 26.431 9.276 -5.097 1.00 0.00 N ATOM 502 CA ARG A 37 27.357 10.299 -5.567 1.00 0.00 C ATOM 503 C ARG A 37 27.975 11.054 -4.394 1.00 0.00 C ATOM 504 O ARG A 37 27.310 11.825 -3.701 1.00 0.00 O ATOM 505 CB ARG A 37 26.639 11.279 -6.497 1.00 0.00 C ATOM 506 CG ARG A 37 27.582 12.143 -7.318 1.00 0.00 C ATOM 507 CD ARG A 37 26.819 13.121 -8.197 1.00 0.00 C ATOM 508 NE ARG A 37 26.117 12.445 -9.286 1.00 0.00 N ATOM 509 CZ ARG A 37 25.562 13.083 -10.310 1.00 0.00 C ATOM 510 NH1 ARG A 37 25.628 14.406 -10.386 1.00 0.00 N ATOM 511 NH2 ARG A 37 24.941 12.399 -11.262 1.00 0.00 N ATOM 0 H ARG A 37 25.669 9.630 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 37 28.156 9.804 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.993 10.718 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.994 11.925 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.246 12.693 -6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.211 11.507 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.101 13.671 -7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.512 13.853 -8.612 1.00 0.00 H new ATOM 0 HE ARG A 37 26.050 11.428 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 37 26.106 14.936 -9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.201 14.894 -11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 37 24.889 11.382 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 37 24.515 12.890 -12.048 1.00 0.00 H new ATOM 525 N PRO A 38 29.277 10.829 -4.164 1.00 0.00 N ATOM 526 CA PRO A 38 30.012 11.479 -3.075 1.00 0.00 C ATOM 527 C PRO A 38 30.213 12.971 -3.320 1.00 0.00 C ATOM 528 O PRO A 38 30.908 13.369 -4.256 1.00 0.00 O ATOM 529 CB PRO A 38 31.359 10.752 -3.074 1.00 0.00 C ATOM 530 CG PRO A 38 31.518 10.246 -4.466 1.00 0.00 C ATOM 531 CD PRO A 38 30.131 9.924 -4.950 1.00 0.00 C ATOM 0 HA PRO A 38 29.477 11.416 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.172 11.425 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.367 9.935 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.989 10.995 -5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.155 9.362 -4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.027 10.102 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.877 8.879 -4.775 1.00 0.00 H new ATOM 539 N LEU A 39 29.601 13.792 -2.474 1.00 0.00 N ATOM 540 CA LEU A 39 29.712 15.241 -2.598 1.00 0.00 C ATOM 541 C LEU A 39 30.565 15.819 -1.473 1.00 0.00 C ATOM 542 O LEU A 39 30.670 15.234 -0.395 1.00 0.00 O ATOM 543 CB LEU A 39 28.324 15.882 -2.583 1.00 0.00 C ATOM 544 CG LEU A 39 27.611 15.970 -3.932 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.967 14.638 -4.284 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.569 17.079 -3.914 1.00 0.00 C ATOM 0 H LEU A 39 29.023 13.479 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 39 30.197 15.464 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.692 15.317 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.415 16.889 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 39 28.351 16.206 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.464 14.720 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.735 13.866 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.240 14.371 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.072 17.127 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.832 16.873 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.056 18.032 -3.709 1.00 0.00 H new ATOM 558 N VAL A 40 31.171 16.974 -1.731 1.00 0.00 N ATOM 559 CA VAL A 40 32.011 17.635 -0.739 1.00 0.00 C ATOM 560 C VAL A 40 31.530 17.335 0.676 1.00 0.00 C ATOM 561 O VAL A 40 32.138 16.541 1.396 1.00 0.00 O ATOM 562 CB VAL A 40 32.034 19.160 -0.949 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.813 19.841 0.166 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.624 19.502 -2.309 1.00 0.00 C ATOM 0 H VAL A 40 31.096 17.471 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 40 33.020 17.243 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 40 31.009 19.529 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.818 20.918 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.342 19.623 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.838 19.470 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.632 20.584 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.644 19.121 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 40 32.019 19.046 -3.093 1.00 0.00 H new ATOM 574 N THR A 41 30.433 17.974 1.071 1.00 0.00 N ATOM 575 CA THR A 41 29.870 17.777 2.401 1.00 0.00 C ATOM 576 C THR A 41 28.498 17.117 2.324 1.00 0.00 C ATOM 577 O THR A 41 27.671 17.276 3.222 1.00 0.00 O ATOM 578 CB THR A 41 29.744 19.111 3.161 1.00 0.00 C ATOM 579 OG1 THR A 41 28.926 20.022 2.419 1.00 0.00 O ATOM 580 CG2 THR A 41 31.113 19.729 3.399 1.00 0.00 C ATOM 0 H THR A 41 29.917 18.633 0.488 1.00 0.00 H new ATOM 0 HA THR A 41 30.555 17.123 2.941 1.00 0.00 H new ATOM 0 HB THR A 41 29.280 18.911 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.849 20.867 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.999 20.670 3.937 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.723 19.045 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.600 19.915 2.442 1.00 0.00 H new ATOM 588 N SER A 42 28.262 16.376 1.247 1.00 0.00 N ATOM 589 CA SER A 42 26.988 15.694 1.052 1.00 0.00 C ATOM 590 C SER A 42 27.169 14.436 0.207 1.00 0.00 C ATOM 591 O SER A 42 28.285 14.093 -0.184 1.00 0.00 O ATOM 592 CB SER A 42 25.981 16.631 0.382 1.00 0.00 C ATOM 593 OG SER A 42 26.636 17.574 -0.449 1.00 0.00 O ATOM 0 H SER A 42 28.936 16.232 0.495 1.00 0.00 H new ATOM 0 HA SER A 42 26.607 15.402 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.275 16.048 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.403 17.153 1.144 1.00 0.00 H new ATOM 0 HG SER A 42 25.971 18.160 -0.867 1.00 0.00 H new ATOM 599 N ILE A 43 26.063 13.753 -0.070 1.00 0.00 N ATOM 600 CA ILE A 43 26.098 12.535 -0.869 1.00 0.00 C ATOM 601 C ILE A 43 24.724 12.219 -1.451 1.00 0.00 C ATOM 602 O ILE A 43 23.802 11.846 -0.726 1.00 0.00 O ATOM 603 CB ILE A 43 26.580 11.331 -0.038 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.973 11.603 0.533 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.588 10.069 -0.888 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.570 10.418 1.261 1.00 0.00 C ATOM 0 H ILE A 43 25.132 14.023 0.247 1.00 0.00 H new ATOM 0 HA ILE A 43 26.802 12.711 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 43 25.890 11.182 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.639 11.893 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.917 12.449 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.931 9.227 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.580 9.869 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.259 10.206 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.557 10.683 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.925 10.140 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.658 9.576 0.574 1.00 0.00 H new ATOM 618 N VAL A 44 24.596 12.369 -2.765 1.00 0.00 N ATOM 619 CA VAL A 44 23.336 12.097 -3.446 1.00 0.00 C ATOM 620 C VAL A 44 23.098 10.597 -3.583 1.00 0.00 C ATOM 621 O VAL A 44 23.616 9.957 -4.498 1.00 0.00 O ATOM 622 CB VAL A 44 23.303 12.741 -4.845 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.998 12.413 -5.554 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.500 14.246 -4.743 1.00 0.00 C ATOM 0 H VAL A 44 25.349 12.677 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 44 22.546 12.533 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 44 24.122 12.329 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.993 12.877 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.903 11.332 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.161 12.795 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.474 14.685 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.704 14.677 -4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.464 14.456 -4.279 1.00 0.00 H new ATOM 634 N VAL A 45 22.309 10.043 -2.668 1.00 0.00 N ATOM 635 CA VAL A 45 22.000 8.618 -2.688 1.00 0.00 C ATOM 636 C VAL A 45 20.785 8.331 -3.562 1.00 0.00 C ATOM 637 O VAL A 45 19.644 8.517 -3.138 1.00 0.00 O ATOM 638 CB VAL A 45 21.736 8.082 -1.268 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.345 6.612 -1.317 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.957 8.288 -0.385 1.00 0.00 C ATOM 0 H VAL A 45 21.872 10.559 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 45 22.870 8.111 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 45 20.906 8.641 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.162 6.250 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.440 6.496 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.153 6.036 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.752 7.904 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.808 7.757 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.187 9.352 -0.324 1.00 0.00 H new ATOM 650 N SER A 46 21.037 7.876 -4.785 1.00 0.00 N ATOM 651 CA SER A 46 19.963 7.566 -5.722 1.00 0.00 C ATOM 652 C SER A 46 19.819 6.058 -5.904 1.00 0.00 C ATOM 653 O SER A 46 20.784 5.367 -6.233 1.00 0.00 O ATOM 654 CB SER A 46 20.228 8.232 -7.073 1.00 0.00 C ATOM 655 OG SER A 46 19.565 7.543 -8.120 1.00 0.00 O ATOM 0 H SER A 46 21.975 7.714 -5.150 1.00 0.00 H new ATOM 0 HA SER A 46 19.032 7.955 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.890 9.268 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.300 8.252 -7.268 1.00 0.00 H new ATOM 0 HG SER A 46 19.749 7.989 -8.973 1.00 0.00 H new ATOM 661 N TRP A 47 18.609 5.555 -5.687 1.00 0.00 N ATOM 662 CA TRP A 47 18.339 4.129 -5.827 1.00 0.00 C ATOM 663 C TRP A 47 17.201 3.885 -6.813 1.00 0.00 C ATOM 664 O TRP A 47 16.673 4.822 -7.412 1.00 0.00 O ATOM 665 CB TRP A 47 17.992 3.519 -4.468 1.00 0.00 C ATOM 666 CG TRP A 47 16.750 4.095 -3.858 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.480 3.606 -3.969 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.661 5.269 -3.043 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.606 4.406 -3.273 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.306 5.432 -2.695 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.594 6.196 -2.572 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.864 6.486 -1.899 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.153 7.241 -1.782 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.798 7.379 -1.452 1.00 0.00 C ATOM 0 H TRP A 47 17.800 6.113 -5.414 1.00 0.00 H new ATOM 0 HA TRP A 47 19.239 3.650 -6.213 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.866 2.442 -4.583 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.828 3.671 -3.785 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.203 2.721 -4.522 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.599 4.260 -3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.640 6.098 -2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.820 6.594 -1.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.865 7.964 -1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.485 8.207 -0.833 1.00 0.00 H new ATOM 685 N THR A 48 16.827 2.620 -6.977 1.00 0.00 N ATOM 686 CA THR A 48 15.752 2.253 -7.891 1.00 0.00 C ATOM 687 C THR A 48 14.944 1.080 -7.346 1.00 0.00 C ATOM 688 O THR A 48 15.456 0.223 -6.626 1.00 0.00 O ATOM 689 CB THR A 48 16.300 1.883 -9.282 1.00 0.00 C ATOM 690 OG1 THR A 48 17.486 1.092 -9.147 1.00 0.00 O ATOM 691 CG2 THR A 48 16.607 3.133 -10.092 1.00 0.00 C ATOM 0 H THR A 48 17.253 1.832 -6.489 1.00 0.00 H new ATOM 0 HA THR A 48 15.104 3.125 -7.984 1.00 0.00 H new ATOM 0 HB THR A 48 15.538 1.307 -9.807 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.827 0.860 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.993 2.847 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.696 3.718 -10.218 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.353 3.731 -9.569 1.00 0.00 H new ATOM 699 N PRO A 49 13.651 1.038 -7.698 1.00 0.00 N ATOM 700 CA PRO A 49 12.745 -0.026 -7.257 1.00 0.00 C ATOM 701 C PRO A 49 13.066 -1.368 -7.907 1.00 0.00 C ATOM 702 O PRO A 49 13.749 -1.442 -8.928 1.00 0.00 O ATOM 703 CB PRO A 49 11.368 0.470 -7.708 1.00 0.00 C ATOM 704 CG PRO A 49 11.650 1.378 -8.855 1.00 0.00 C ATOM 705 CD PRO A 49 12.973 2.026 -8.555 1.00 0.00 C ATOM 0 HA PRO A 49 12.819 -0.205 -6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.727 -0.359 -8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.854 0.996 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.691 0.822 -9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.865 2.126 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.539 2.224 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.846 2.981 -8.045 1.00 0.00 H new ATOM 713 N PRO A 50 12.563 -2.455 -7.302 1.00 0.00 N ATOM 714 CA PRO A 50 12.783 -3.814 -7.806 1.00 0.00 C ATOM 715 C PRO A 50 12.041 -4.075 -9.112 1.00 0.00 C ATOM 716 O PRO A 50 10.817 -3.958 -9.174 1.00 0.00 O ATOM 717 CB PRO A 50 12.228 -4.700 -6.688 1.00 0.00 C ATOM 718 CG PRO A 50 11.222 -3.849 -5.994 1.00 0.00 C ATOM 719 CD PRO A 50 11.740 -2.440 -6.081 1.00 0.00 C ATOM 0 HA PRO A 50 13.832 -4.000 -8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.772 -5.605 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.017 -5.017 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.244 -3.935 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.101 -4.157 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.928 -1.717 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.328 -2.173 -5.203 1.00 0.00 H new ATOM 727 N GLU A 51 12.789 -4.430 -10.152 1.00 0.00 N ATOM 728 CA GLU A 51 12.200 -4.708 -11.456 1.00 0.00 C ATOM 729 C GLU A 51 10.833 -5.371 -11.306 1.00 0.00 C ATOM 730 O GLU A 51 9.943 -5.174 -12.132 1.00 0.00 O ATOM 731 CB GLU A 51 13.126 -5.606 -12.278 1.00 0.00 C ATOM 732 CG GLU A 51 14.128 -4.837 -13.123 1.00 0.00 C ATOM 733 CD GLU A 51 15.409 -5.613 -13.361 1.00 0.00 C ATOM 734 OE1 GLU A 51 15.961 -6.162 -12.385 1.00 0.00 O ATOM 735 OE2 GLU A 51 15.858 -5.672 -14.525 1.00 0.00 O ATOM 0 H GLU A 51 13.803 -4.532 -10.117 1.00 0.00 H new ATOM 0 HA GLU A 51 12.070 -3.759 -11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.666 -6.270 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.522 -6.237 -12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.674 -4.590 -14.083 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.365 -3.894 -12.630 1.00 0.00 H new ATOM 742 N ASN A 52 10.676 -6.157 -10.246 1.00 0.00 N ATOM 743 CA ASN A 52 9.419 -6.849 -9.987 1.00 0.00 C ATOM 744 C ASN A 52 8.459 -5.960 -9.203 1.00 0.00 C ATOM 745 O ASN A 52 8.443 -5.982 -7.973 1.00 0.00 O ATOM 746 CB ASN A 52 9.677 -8.146 -9.216 1.00 0.00 C ATOM 747 CG ASN A 52 8.400 -8.914 -8.934 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.341 -8.323 -8.721 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.495 -10.238 -8.929 1.00 0.00 N ATOM 0 H ASN A 52 11.404 -6.331 -9.553 1.00 0.00 H new ATOM 0 HA ASN A 52 8.961 -7.089 -10.946 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.358 -8.776 -9.788 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.173 -7.913 -8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.670 -10.808 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.393 -10.686 -9.111 1.00 0.00 H new ATOM 756 N GLN A 53 7.661 -5.180 -9.925 1.00 0.00 N ATOM 757 CA GLN A 53 6.699 -4.283 -9.296 1.00 0.00 C ATOM 758 C GLN A 53 5.634 -5.071 -8.541 1.00 0.00 C ATOM 759 O GLN A 53 5.203 -4.672 -7.459 1.00 0.00 O ATOM 760 CB GLN A 53 6.039 -3.390 -10.349 1.00 0.00 C ATOM 761 CG GLN A 53 6.982 -2.361 -10.951 1.00 0.00 C ATOM 762 CD GLN A 53 7.281 -1.217 -10.002 1.00 0.00 C ATOM 763 OE1 GLN A 53 6.595 -0.195 -10.009 1.00 0.00 O ATOM 764 NE2 GLN A 53 8.309 -1.384 -9.179 1.00 0.00 N ATOM 0 H GLN A 53 7.662 -5.151 -10.945 1.00 0.00 H new ATOM 0 HA GLN A 53 7.235 -3.657 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.641 -4.017 -11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.192 -2.874 -9.897 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.916 -2.849 -11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.543 -1.964 -11.866 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.850 -2.248 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.558 -0.648 -8.518 1.00 0.00 H new ATOM 773 N ASN A 54 5.213 -6.191 -9.118 1.00 0.00 N ATOM 774 CA ASN A 54 4.197 -7.035 -8.499 1.00 0.00 C ATOM 775 C ASN A 54 4.338 -7.031 -6.980 1.00 0.00 C ATOM 776 O ASN A 54 3.343 -7.008 -6.254 1.00 0.00 O ATOM 777 CB ASN A 54 4.302 -8.467 -9.028 1.00 0.00 C ATOM 778 CG ASN A 54 4.324 -8.524 -10.543 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.676 -7.548 -11.207 1.00 0.00 O ATOM 780 ND2 ASN A 54 3.946 -9.669 -11.098 1.00 0.00 N ATOM 0 H ASN A 54 5.559 -6.536 -10.013 1.00 0.00 H new ATOM 0 HA ASN A 54 3.218 -6.630 -8.757 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.208 -8.930 -8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.459 -9.051 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.939 -9.766 -12.113 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.662 -10.452 -10.509 1.00 0.00 H new ATOM 787 N ILE A 55 5.579 -7.052 -6.506 1.00 0.00 N ATOM 788 CA ILE A 55 5.850 -7.048 -5.074 1.00 0.00 C ATOM 789 C ILE A 55 5.540 -5.688 -4.459 1.00 0.00 C ATOM 790 O ILE A 55 6.031 -4.658 -4.923 1.00 0.00 O ATOM 791 CB ILE A 55 7.317 -7.411 -4.778 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.725 -8.659 -5.562 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.518 -7.627 -3.285 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.220 -8.791 -5.753 1.00 0.00 C ATOM 0 H ILE A 55 6.413 -7.072 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 55 5.201 -7.801 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 55 7.952 -6.583 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.354 -9.542 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.242 -8.638 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.560 -7.883 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.263 -6.714 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.876 -8.439 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.436 -9.698 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.595 -7.926 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.708 -8.844 -4.780 1.00 0.00 H new ATOM 806 N VAL A 56 4.722 -5.690 -3.411 1.00 0.00 N ATOM 807 CA VAL A 56 4.348 -4.456 -2.730 1.00 0.00 C ATOM 808 C VAL A 56 5.550 -3.827 -2.034 1.00 0.00 C ATOM 809 O VAL A 56 6.396 -4.528 -1.479 1.00 0.00 O ATOM 810 CB VAL A 56 3.238 -4.703 -1.691 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.979 -3.444 -0.878 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.965 -5.177 -2.376 1.00 0.00 C ATOM 0 H VAL A 56 4.306 -6.533 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 56 3.975 -3.773 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 56 3.569 -5.486 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.192 -3.637 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.892 -3.152 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.668 -2.639 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.191 -5.347 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.627 -4.418 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.164 -6.106 -2.910 1.00 0.00 H new ATOM 822 N VAL A 57 5.618 -2.500 -2.067 1.00 0.00 N ATOM 823 CA VAL A 57 6.716 -1.775 -1.438 1.00 0.00 C ATOM 824 C VAL A 57 6.219 -0.498 -0.769 1.00 0.00 C ATOM 825 O VAL A 57 5.663 0.382 -1.425 1.00 0.00 O ATOM 826 CB VAL A 57 7.809 -1.414 -2.461 1.00 0.00 C ATOM 827 CG1 VAL A 57 8.883 -0.554 -1.813 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.414 -2.674 -3.061 1.00 0.00 C ATOM 0 H VAL A 57 4.926 -1.905 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 57 7.141 -2.436 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 57 7.353 -0.838 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.647 -0.309 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.435 0.365 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.338 -1.101 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.184 -2.400 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.856 -3.278 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.635 -3.248 -3.563 1.00 0.00 H new ATOM 838 N ARG A 58 6.424 -0.405 0.541 1.00 0.00 N ATOM 839 CA ARG A 58 5.996 0.764 1.300 1.00 0.00 C ATOM 840 C ARG A 58 7.093 1.824 1.330 1.00 0.00 C ATOM 841 O ARG A 58 6.814 3.022 1.312 1.00 0.00 O ATOM 842 CB ARG A 58 5.620 0.363 2.727 1.00 0.00 C ATOM 843 CG ARG A 58 4.270 -0.327 2.830 1.00 0.00 C ATOM 844 CD ARG A 58 3.126 0.670 2.740 1.00 0.00 C ATOM 845 NE ARG A 58 1.824 0.026 2.895 1.00 0.00 N ATOM 846 CZ ARG A 58 0.683 0.567 2.483 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.683 1.754 1.893 1.00 0.00 N ATOM 848 NH2 ARG A 58 -0.462 -0.081 2.659 1.00 0.00 N ATOM 0 H ARG A 58 6.884 -1.125 1.099 1.00 0.00 H new ATOM 0 HA ARG A 58 5.120 1.186 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.389 -0.300 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.612 1.254 3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.175 -1.064 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.208 -0.869 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.248 1.431 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.165 1.181 1.778 1.00 0.00 H new ATOM 0 HE ARG A 58 1.789 -0.889 3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.561 2.255 1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.195 2.167 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.466 -0.995 3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.338 0.335 2.342 1.00 0.00 H new ATOM 862 N GLY A 59 8.344 1.373 1.377 1.00 0.00 N ATOM 863 CA GLY A 59 9.464 2.295 1.410 1.00 0.00 C ATOM 864 C GLY A 59 10.801 1.581 1.438 1.00 0.00 C ATOM 865 O GLY A 59 10.888 0.397 1.111 1.00 0.00 O ATOM 0 H GLY A 59 8.601 0.386 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.421 2.946 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.379 2.935 2.288 1.00 0.00 H new ATOM 869 N TYR A 60 11.846 2.302 1.827 1.00 0.00 N ATOM 870 CA TYR A 60 13.187 1.732 1.892 1.00 0.00 C ATOM 871 C TYR A 60 13.988 2.353 3.033 1.00 0.00 C ATOM 872 O TYR A 60 13.589 3.366 3.607 1.00 0.00 O ATOM 873 CB TYR A 60 13.919 1.944 0.566 1.00 0.00 C ATOM 874 CG TYR A 60 13.084 1.601 -0.647 1.00 0.00 C ATOM 875 CD1 TYR A 60 11.986 2.375 -1.002 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.395 0.503 -1.440 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.221 2.065 -2.109 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.636 0.186 -2.550 1.00 0.00 C ATOM 879 CZ TYR A 60 11.550 0.970 -2.880 1.00 0.00 C ATOM 880 OH TYR A 60 10.791 0.658 -3.985 1.00 0.00 O ATOM 0 H TYR A 60 11.791 3.283 2.102 1.00 0.00 H new ATOM 0 HA TYR A 60 13.091 0.663 2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.235 2.985 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.823 1.336 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.726 3.234 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.244 -0.113 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.370 2.677 -2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.891 -0.671 -3.156 1.00 0.00 H new ATOM 0 HH TYR A 60 11.157 -0.141 -4.418 1.00 0.00 H new ATOM 890 N ALA A 61 15.120 1.736 3.355 1.00 0.00 N ATOM 891 CA ALA A 61 15.980 2.228 4.425 1.00 0.00 C ATOM 892 C ALA A 61 17.378 2.544 3.904 1.00 0.00 C ATOM 893 O ALA A 61 17.977 1.744 3.184 1.00 0.00 O ATOM 894 CB ALA A 61 16.052 1.211 5.554 1.00 0.00 C ATOM 0 H ALA A 61 15.463 0.895 2.891 1.00 0.00 H new ATOM 0 HA ALA A 61 15.547 3.151 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.697 1.591 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.052 1.038 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.458 0.274 5.174 1.00 0.00 H new ATOM 900 N ILE A 62 17.892 3.712 4.272 1.00 0.00 N ATOM 901 CA ILE A 62 19.220 4.132 3.842 1.00 0.00 C ATOM 902 C ILE A 62 20.176 4.229 5.026 1.00 0.00 C ATOM 903 O ILE A 62 19.938 4.982 5.969 1.00 0.00 O ATOM 904 CB ILE A 62 19.174 5.492 3.121 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.225 5.427 1.922 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.570 5.903 2.676 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.648 6.771 1.535 1.00 0.00 C ATOM 0 H ILE A 62 17.409 4.385 4.867 1.00 0.00 H new ATOM 0 HA ILE A 62 19.581 3.374 3.147 1.00 0.00 H new ATOM 0 HB ILE A 62 18.799 6.243 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.759 5.010 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.408 4.743 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.521 6.866 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.220 5.985 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.970 5.153 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.985 6.649 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.085 7.181 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.457 7.453 1.273 1.00 0.00 H new ATOM 919 N GLY A 63 21.260 3.462 4.968 1.00 0.00 N ATOM 920 CA GLY A 63 22.238 3.477 6.040 1.00 0.00 C ATOM 921 C GLY A 63 23.588 3.994 5.586 1.00 0.00 C ATOM 922 O GLY A 63 24.127 3.541 4.577 1.00 0.00 O ATOM 0 H GLY A 63 21.479 2.830 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.869 4.100 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.353 2.468 6.436 1.00 0.00 H new ATOM 926 N TYR A 64 24.136 4.947 6.333 1.00 0.00 N ATOM 927 CA TYR A 64 25.430 5.530 5.999 1.00 0.00 C ATOM 928 C TYR A 64 26.337 5.580 7.225 1.00 0.00 C ATOM 929 O TYR A 64 25.866 5.691 8.356 1.00 0.00 O ATOM 930 CB TYR A 64 25.247 6.937 5.428 1.00 0.00 C ATOM 931 CG TYR A 64 24.521 7.879 6.362 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.142 7.807 6.518 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.213 8.842 7.086 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.474 8.666 7.369 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.553 9.704 7.940 1.00 0.00 C ATOM 936 CZ TYR A 64 23.184 9.613 8.078 1.00 0.00 C ATOM 937 OH TYR A 64 22.522 10.470 8.927 1.00 0.00 O ATOM 0 H TYR A 64 23.704 5.332 7.173 1.00 0.00 H new ATOM 0 HA TYR A 64 25.901 4.898 5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.226 7.355 5.193 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.695 6.871 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.583 7.067 5.965 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.285 8.918 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.402 8.597 7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.106 10.446 8.497 1.00 0.00 H new ATOM 0 HH TYR A 64 23.167 11.074 9.350 1.00 0.00 H new ATOM 947 N GLY A 65 27.644 5.497 6.990 1.00 0.00 N ATOM 948 CA GLY A 65 28.598 5.535 8.083 1.00 0.00 C ATOM 949 C GLY A 65 30.013 5.241 7.627 1.00 0.00 C ATOM 950 O GLY A 65 30.234 4.360 6.796 1.00 0.00 O ATOM 0 H GLY A 65 28.058 5.404 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.568 6.518 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.306 4.809 8.842 1.00 0.00 H new ATOM 954 N ILE A 66 30.974 5.980 8.171 1.00 0.00 N ATOM 955 CA ILE A 66 32.375 5.793 7.815 1.00 0.00 C ATOM 956 C ILE A 66 32.820 4.357 8.070 1.00 0.00 C ATOM 957 O ILE A 66 33.107 3.977 9.204 1.00 0.00 O ATOM 958 CB ILE A 66 33.288 6.750 8.604 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.929 8.204 8.295 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.749 6.478 8.276 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.438 9.185 9.328 1.00 0.00 C ATOM 0 H ILE A 66 30.808 6.714 8.860 1.00 0.00 H new ATOM 0 HA ILE A 66 32.463 6.014 6.751 1.00 0.00 H new ATOM 0 HB ILE A 66 33.136 6.577 9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.337 8.471 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.845 8.295 8.223 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.382 7.162 8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.997 5.450 8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.916 6.626 7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 66 33.147 10.196 9.044 1.00 0.00 H new ATOM 0 HD12 ILE A 66 33.010 8.944 10.301 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.525 9.123 9.384 1.00 0.00 H new ATOM 973 N GLY A 67 32.877 3.563 7.005 1.00 0.00 N ATOM 974 CA GLY A 67 33.290 2.178 7.133 1.00 0.00 C ATOM 975 C GLY A 67 32.142 1.263 7.508 1.00 0.00 C ATOM 976 O GLY A 67 31.935 0.225 6.880 1.00 0.00 O ATOM 0 H GLY A 67 32.644 3.855 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.725 1.843 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.072 2.104 7.889 1.00 0.00 H new ATOM 980 N SER A 68 31.393 1.647 8.537 1.00 0.00 N ATOM 981 CA SER A 68 30.262 0.850 8.999 1.00 0.00 C ATOM 982 C SER A 68 28.947 1.587 8.766 1.00 0.00 C ATOM 983 O SER A 68 28.684 2.640 9.348 1.00 0.00 O ATOM 984 CB SER A 68 30.418 0.519 10.485 1.00 0.00 C ATOM 985 OG SER A 68 30.552 1.698 11.259 1.00 0.00 O ATOM 0 H SER A 68 31.549 2.505 9.066 1.00 0.00 H new ATOM 0 HA SER A 68 30.245 -0.078 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.552 -0.048 10.827 1.00 0.00 H new ATOM 0 HB3 SER A 68 31.292 -0.116 10.629 1.00 0.00 H new ATOM 0 HG SER A 68 30.006 2.411 10.866 1.00 0.00 H new ATOM 991 N PRO A 69 28.100 1.022 7.893 1.00 0.00 N ATOM 992 CA PRO A 69 26.797 1.607 7.562 1.00 0.00 C ATOM 993 C PRO A 69 25.812 1.524 8.723 1.00 0.00 C ATOM 994 O PRO A 69 24.700 2.048 8.646 1.00 0.00 O ATOM 995 CB PRO A 69 26.313 0.754 6.387 1.00 0.00 C ATOM 996 CG PRO A 69 27.010 -0.552 6.555 1.00 0.00 C ATOM 997 CD PRO A 69 28.348 -0.232 7.163 1.00 0.00 C ATOM 0 HA PRO A 69 26.874 2.670 7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 69 25.230 0.630 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.563 1.217 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 69 26.438 -1.220 7.200 1.00 0.00 H new ATOM 0 HG3 PRO A 69 27.128 -1.058 5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.686 -1.025 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 69 29.117 -0.108 6.400 1.00 0.00 H new ATOM 1005 N HIS A 70 26.227 0.861 9.798 1.00 0.00 N ATOM 1006 CA HIS A 70 25.380 0.710 10.977 1.00 0.00 C ATOM 1007 C HIS A 70 25.539 1.902 11.916 1.00 0.00 C ATOM 1008 O HIS A 70 25.560 1.744 13.136 1.00 0.00 O ATOM 1009 CB HIS A 70 25.723 -0.585 11.714 1.00 0.00 C ATOM 1010 CG HIS A 70 25.523 -1.816 10.886 1.00 0.00 C ATOM 1011 ND1 HIS A 70 24.361 -2.075 10.189 1.00 0.00 N ATOM 1012 CD2 HIS A 70 26.346 -2.863 10.643 1.00 0.00 C ATOM 1013 CE1 HIS A 70 24.477 -3.228 9.555 1.00 0.00 C ATOM 1014 NE2 HIS A 70 25.672 -3.727 9.814 1.00 0.00 N ATOM 0 H HIS A 70 27.143 0.420 9.877 1.00 0.00 H new ATOM 0 HA HIS A 70 24.342 0.667 10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.762 -0.543 12.042 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.108 -0.657 12.611 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.346 -2.995 11.029 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.723 -3.685 8.931 1.00 0.00 H new ATOM 0 HE2 HIS A 70 26.036 -4.610 9.457 1.00 0.00 H new ATOM 1023 N ALA A 71 25.651 3.094 11.339 1.00 0.00 N ATOM 1024 CA ALA A 71 25.807 4.311 12.125 1.00 0.00 C ATOM 1025 C ALA A 71 24.501 5.097 12.184 1.00 0.00 C ATOM 1026 O ALA A 71 24.042 5.473 13.262 1.00 0.00 O ATOM 1027 CB ALA A 71 26.918 5.174 11.546 1.00 0.00 C ATOM 0 H ALA A 71 25.637 3.242 10.330 1.00 0.00 H new ATOM 0 HA ALA A 71 26.076 4.026 13.142 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.024 6.080 12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.856 4.618 11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.672 5.443 10.519 1.00 0.00 H new ATOM 1033 N GLN A 72 23.910 5.342 11.019 1.00 0.00 N ATOM 1034 CA GLN A 72 22.657 6.084 10.940 1.00 0.00 C ATOM 1035 C GLN A 72 21.696 5.427 9.955 1.00 0.00 C ATOM 1036 O GLN A 72 22.112 4.680 9.069 1.00 0.00 O ATOM 1037 CB GLN A 72 22.924 7.531 10.522 1.00 0.00 C ATOM 1038 CG GLN A 72 23.748 8.314 11.531 1.00 0.00 C ATOM 1039 CD GLN A 72 25.240 8.180 11.295 1.00 0.00 C ATOM 1040 OE1 GLN A 72 25.675 7.769 10.219 1.00 0.00 O ATOM 1041 NE2 GLN A 72 26.032 8.529 12.302 1.00 0.00 N ATOM 0 H GLN A 72 24.278 5.038 10.118 1.00 0.00 H new ATOM 0 HA GLN A 72 22.196 6.077 11.928 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.442 7.534 9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.971 8.039 10.372 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.469 9.367 11.483 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.510 7.967 12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.628 8.864 13.176 1.00 0.00 H new ATOM 0 HE22 GLN A 72 27.045 8.462 12.201 1.00 0.00 H new ATOM 1050 N THR A 73 20.407 5.709 10.117 1.00 0.00 N ATOM 1051 CA THR A 73 19.386 5.144 9.243 1.00 0.00 C ATOM 1052 C THR A 73 18.356 6.196 8.849 1.00 0.00 C ATOM 1053 O THR A 73 17.869 6.949 9.693 1.00 0.00 O ATOM 1054 CB THR A 73 18.663 3.961 9.916 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.621 3.032 10.434 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.747 3.255 8.928 1.00 0.00 C ATOM 0 H THR A 73 20.045 6.325 10.845 1.00 0.00 H new ATOM 0 HA THR A 73 19.897 4.787 8.349 1.00 0.00 H new ATOM 0 HB THR A 73 18.057 4.351 10.734 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.154 2.284 10.861 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.247 2.424 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.001 3.958 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.336 2.877 8.092 1.00 0.00 H new ATOM 1064 N ILE A 74 18.027 6.243 7.562 1.00 0.00 N ATOM 1065 CA ILE A 74 17.053 7.202 7.058 1.00 0.00 C ATOM 1066 C ILE A 74 15.874 6.494 6.400 1.00 0.00 C ATOM 1067 O ILE A 74 16.044 5.743 5.439 1.00 0.00 O ATOM 1068 CB ILE A 74 17.690 8.168 6.041 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.849 8.931 6.685 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.646 9.136 5.504 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.871 9.432 5.689 1.00 0.00 C ATOM 0 H ILE A 74 18.421 5.628 6.850 1.00 0.00 H new ATOM 0 HA ILE A 74 16.698 7.772 7.916 1.00 0.00 H new ATOM 0 HB ILE A 74 18.082 7.586 5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.450 9.779 7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.345 8.281 7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.111 9.812 4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.850 8.577 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.227 9.714 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.663 9.963 6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.298 8.587 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.389 10.108 4.982 1.00 0.00 H new ATOM 1083 N LYS A 75 14.677 6.740 6.922 1.00 0.00 N ATOM 1084 CA LYS A 75 13.467 6.129 6.385 1.00 0.00 C ATOM 1085 C LYS A 75 12.671 7.134 5.559 1.00 0.00 C ATOM 1086 O LYS A 75 12.533 8.296 5.942 1.00 0.00 O ATOM 1087 CB LYS A 75 12.599 5.583 7.521 1.00 0.00 C ATOM 1088 CG LYS A 75 13.064 4.237 8.049 1.00 0.00 C ATOM 1089 CD LYS A 75 12.010 3.590 8.931 1.00 0.00 C ATOM 1090 CE LYS A 75 12.597 2.464 9.768 1.00 0.00 C ATOM 1091 NZ LYS A 75 11.836 2.255 11.030 1.00 0.00 N ATOM 0 H LYS A 75 14.519 7.359 7.717 1.00 0.00 H new ATOM 0 HA LYS A 75 13.763 5.305 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.592 6.302 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.571 5.491 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.295 3.577 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.985 4.366 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.572 4.342 9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.204 3.200 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.597 1.542 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.636 2.691 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.268 1.479 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.857 3.127 11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.850 2.013 10.805 1.00 0.00 H new ATOM 1105 N VAL A 76 12.146 6.679 4.426 1.00 0.00 N ATOM 1106 CA VAL A 76 11.361 7.538 3.548 1.00 0.00 C ATOM 1107 C VAL A 76 10.235 6.758 2.879 1.00 0.00 C ATOM 1108 O VAL A 76 10.021 5.582 3.173 1.00 0.00 O ATOM 1109 CB VAL A 76 12.240 8.183 2.460 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.316 9.055 3.090 1.00 0.00 C ATOM 1111 CG2 VAL A 76 12.861 7.114 1.574 1.00 0.00 C ATOM 0 H VAL A 76 12.250 5.720 4.095 1.00 0.00 H new ATOM 0 HA VAL A 76 10.935 8.323 4.173 1.00 0.00 H new ATOM 0 HB VAL A 76 11.609 8.818 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.927 9.502 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.847 9.843 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.946 8.445 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.479 7.588 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.478 6.452 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.072 6.535 1.094 1.00 0.00 H new ATOM 1121 N ASP A 77 9.518 7.420 1.977 1.00 0.00 N ATOM 1122 CA ASP A 77 8.414 6.788 1.264 1.00 0.00 C ATOM 1123 C ASP A 77 8.875 6.258 -0.090 1.00 0.00 C ATOM 1124 O ASP A 77 9.973 6.571 -0.550 1.00 0.00 O ATOM 1125 CB ASP A 77 7.267 7.782 1.073 1.00 0.00 C ATOM 1126 CG ASP A 77 5.911 7.104 1.052 1.00 0.00 C ATOM 1127 OD1 ASP A 77 5.773 6.033 1.680 1.00 0.00 O ATOM 1128 OD2 ASP A 77 4.988 7.644 0.408 1.00 0.00 O ATOM 0 H ASP A 77 9.682 8.394 1.722 1.00 0.00 H new ATOM 0 HA ASP A 77 8.061 5.948 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.290 8.518 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.413 8.326 0.140 1.00 0.00 H new ATOM 1133 N TYR A 78 8.029 5.452 -0.722 1.00 0.00 N ATOM 1134 CA TYR A 78 8.350 4.875 -2.022 1.00 0.00 C ATOM 1135 C TYR A 78 8.566 5.967 -3.065 1.00 0.00 C ATOM 1136 O TYR A 78 9.423 5.847 -3.940 1.00 0.00 O ATOM 1137 CB TYR A 78 7.233 3.934 -2.476 1.00 0.00 C ATOM 1138 CG TYR A 78 5.864 4.333 -1.973 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.224 5.464 -2.465 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.210 3.579 -1.006 1.00 0.00 C ATOM 1141 CE1 TYR A 78 3.974 5.833 -2.008 1.00 0.00 C ATOM 1142 CE2 TYR A 78 3.959 3.939 -0.544 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.345 5.067 -1.048 1.00 0.00 C ATOM 1144 OH TYR A 78 2.099 5.430 -0.590 1.00 0.00 O ATOM 0 H TYR A 78 7.116 5.183 -0.355 1.00 0.00 H new ATOM 0 HA TYR A 78 9.275 4.307 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.216 3.903 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.457 2.924 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.712 6.065 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.688 2.696 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.492 6.716 -2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.465 3.341 0.207 1.00 0.00 H new ATOM 0 HH TYR A 78 1.797 4.785 0.083 1.00 0.00 H new ATOM 1154 N LYS A 79 7.781 7.035 -2.965 1.00 0.00 N ATOM 1155 CA LYS A 79 7.885 8.151 -3.897 1.00 0.00 C ATOM 1156 C LYS A 79 9.324 8.646 -3.995 1.00 0.00 C ATOM 1157 O LYS A 79 9.822 8.921 -5.086 1.00 0.00 O ATOM 1158 CB LYS A 79 6.970 9.296 -3.456 1.00 0.00 C ATOM 1159 CG LYS A 79 5.491 8.986 -3.609 1.00 0.00 C ATOM 1160 CD LYS A 79 5.072 8.973 -5.070 1.00 0.00 C ATOM 1161 CE LYS A 79 3.702 8.338 -5.251 1.00 0.00 C ATOM 1162 NZ LYS A 79 2.603 9.322 -5.049 1.00 0.00 N ATOM 0 H LYS A 79 7.066 7.151 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 79 7.572 7.801 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.177 9.534 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.208 10.186 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.273 8.018 -3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.905 9.729 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.055 9.993 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.809 8.424 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.629 7.912 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.587 7.515 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.686 8.850 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.657 9.710 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.697 10.094 -5.739 1.00 0.00 H new ATOM 1176 N GLN A 80 9.987 8.755 -2.848 1.00 0.00 N ATOM 1177 CA GLN A 80 11.370 9.216 -2.807 1.00 0.00 C ATOM 1178 C GLN A 80 12.264 8.335 -3.674 1.00 0.00 C ATOM 1179 O GLN A 80 12.359 7.127 -3.458 1.00 0.00 O ATOM 1180 CB GLN A 80 11.885 9.223 -1.366 1.00 0.00 C ATOM 1181 CG GLN A 80 11.269 10.313 -0.505 1.00 0.00 C ATOM 1182 CD GLN A 80 9.762 10.187 -0.393 1.00 0.00 C ATOM 1183 OE1 GLN A 80 9.251 9.445 0.447 1.00 0.00 O ATOM 1184 NE2 GLN A 80 9.042 10.913 -1.239 1.00 0.00 N ATOM 0 H GLN A 80 9.589 8.531 -1.936 1.00 0.00 H new ATOM 0 HA GLN A 80 11.399 10.232 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.681 8.254 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.968 9.348 -1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.708 10.275 0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.518 11.287 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.507 11.514 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.023 10.870 -1.209 1.00 0.00 H new ATOM 1193 N ARG A 81 12.916 8.948 -4.657 1.00 0.00 N ATOM 1194 CA ARG A 81 13.800 8.219 -5.558 1.00 0.00 C ATOM 1195 C ARG A 81 15.247 8.298 -5.080 1.00 0.00 C ATOM 1196 O ARG A 81 16.012 7.343 -5.224 1.00 0.00 O ATOM 1197 CB ARG A 81 13.689 8.778 -6.978 1.00 0.00 C ATOM 1198 CG ARG A 81 13.988 7.754 -8.060 1.00 0.00 C ATOM 1199 CD ARG A 81 15.475 7.690 -8.371 1.00 0.00 C ATOM 1200 NE ARG A 81 15.729 7.299 -9.756 1.00 0.00 N ATOM 1201 CZ ARG A 81 15.632 8.134 -10.784 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.290 9.400 -10.585 1.00 0.00 N ATOM 1203 NH2 ARG A 81 15.878 7.704 -12.015 1.00 0.00 N ATOM 0 H ARG A 81 12.848 9.947 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 81 13.493 7.173 -5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.683 9.169 -7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.376 9.617 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.640 6.772 -7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.436 8.008 -8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.927 8.663 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.955 6.978 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 81 15.995 6.332 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.101 9.735 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.216 10.039 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.142 6.731 -12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.803 8.346 -12.804 1.00 0.00 H new ATOM 1217 N TYR A 82 15.616 9.440 -4.513 1.00 0.00 N ATOM 1218 CA TYR A 82 16.972 9.644 -4.017 1.00 0.00 C ATOM 1219 C TYR A 82 16.964 10.460 -2.727 1.00 0.00 C ATOM 1220 O TYR A 82 15.949 11.052 -2.361 1.00 0.00 O ATOM 1221 CB TYR A 82 17.824 10.349 -5.074 1.00 0.00 C ATOM 1222 CG TYR A 82 17.467 11.806 -5.266 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.236 12.176 -5.794 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.360 12.812 -4.918 1.00 0.00 C ATOM 1225 CE1 TYR A 82 15.906 13.506 -5.972 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.038 14.144 -5.091 1.00 0.00 C ATOM 1227 CZ TYR A 82 16.810 14.486 -5.619 1.00 0.00 C ATOM 1228 OH TYR A 82 16.484 15.812 -5.793 1.00 0.00 O ATOM 0 H TYR A 82 14.995 10.239 -4.385 1.00 0.00 H new ATOM 0 HA TYR A 82 17.404 8.666 -3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.874 10.275 -4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.713 9.828 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.525 11.411 -6.070 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.322 12.548 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.946 13.777 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.744 14.914 -4.815 1.00 0.00 H new ATOM 0 HH TYR A 82 17.229 16.374 -5.494 1.00 0.00 H new ATOM 1238 N TYR A 83 18.103 10.486 -2.044 1.00 0.00 N ATOM 1239 CA TYR A 83 18.228 11.227 -0.795 1.00 0.00 C ATOM 1240 C TYR A 83 19.559 11.969 -0.732 1.00 0.00 C ATOM 1241 O TYR A 83 20.614 11.405 -1.026 1.00 0.00 O ATOM 1242 CB TYR A 83 18.104 10.279 0.399 1.00 0.00 C ATOM 1243 CG TYR A 83 17.777 10.980 1.698 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.779 11.545 2.477 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.465 11.079 2.146 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.484 12.186 3.665 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.161 11.720 3.331 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.174 12.271 4.088 1.00 0.00 C ATOM 1249 OH TYR A 83 16.877 12.910 5.269 1.00 0.00 O ATOM 0 H TYR A 83 18.953 10.002 -2.334 1.00 0.00 H new ATOM 0 HA TYR A 83 17.422 11.960 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.329 9.542 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 83 19.040 9.732 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.806 11.482 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.669 10.647 1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.275 12.618 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.136 11.789 3.663 1.00 0.00 H new ATOM 0 HH TYR A 83 15.909 12.883 5.421 1.00 0.00 H new ATOM 1259 N THR A 84 19.503 13.241 -0.348 1.00 0.00 N ATOM 1260 CA THR A 84 20.702 14.062 -0.247 1.00 0.00 C ATOM 1261 C THR A 84 21.152 14.202 1.203 1.00 0.00 C ATOM 1262 O THR A 84 20.663 15.063 1.934 1.00 0.00 O ATOM 1263 CB THR A 84 20.473 15.466 -0.839 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.085 15.361 -2.213 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.731 16.314 -0.725 1.00 0.00 C ATOM 0 H THR A 84 18.639 13.724 -0.102 1.00 0.00 H new ATOM 0 HA THR A 84 21.480 13.557 -0.819 1.00 0.00 H new ATOM 0 HB THR A 84 19.676 15.949 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.940 16.257 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.545 17.300 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.007 16.417 0.325 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.544 15.833 -1.268 1.00 0.00 H new ATOM 1273 N ILE A 85 22.088 13.351 1.611 1.00 0.00 N ATOM 1274 CA ILE A 85 22.605 13.382 2.974 1.00 0.00 C ATOM 1275 C ILE A 85 23.583 14.536 3.164 1.00 0.00 C ATOM 1276 O ILE A 85 24.677 14.534 2.600 1.00 0.00 O ATOM 1277 CB ILE A 85 23.309 12.062 3.339 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.426 10.868 2.967 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.648 12.034 4.822 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.175 9.555 2.915 1.00 0.00 C ATOM 0 H ILE A 85 22.503 12.632 1.018 1.00 0.00 H new ATOM 0 HA ILE A 85 21.749 13.522 3.634 1.00 0.00 H new ATOM 0 HB ILE A 85 24.238 11.995 2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.616 10.786 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.968 11.054 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.145 11.095 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.310 12.867 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.732 12.121 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.487 8.754 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.968 9.618 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.611 9.346 3.892 1.00 0.00 H new ATOM 1292 N GLU A 86 23.182 15.519 3.965 1.00 0.00 N ATOM 1293 CA GLU A 86 24.025 16.679 4.231 1.00 0.00 C ATOM 1294 C GLU A 86 24.641 16.596 5.624 1.00 0.00 C ATOM 1295 O GLU A 86 24.326 15.696 6.401 1.00 0.00 O ATOM 1296 CB GLU A 86 23.213 17.969 4.096 1.00 0.00 C ATOM 1297 CG GLU A 86 22.895 18.340 2.657 1.00 0.00 C ATOM 1298 CD GLU A 86 22.541 19.806 2.497 1.00 0.00 C ATOM 1299 OE1 GLU A 86 23.443 20.654 2.658 1.00 0.00 O ATOM 1300 OE2 GLU A 86 21.362 20.104 2.213 1.00 0.00 O ATOM 0 H GLU A 86 22.280 15.535 4.440 1.00 0.00 H new ATOM 0 HA GLU A 86 24.830 16.687 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.280 17.861 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.765 18.786 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.754 18.107 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.065 17.729 2.303 1.00 0.00 H new ATOM 1307 N ASN A 87 25.522 17.542 5.933 1.00 0.00 N ATOM 1308 CA ASN A 87 26.184 17.576 7.232 1.00 0.00 C ATOM 1309 C ASN A 87 27.122 16.384 7.396 1.00 0.00 C ATOM 1310 O ASN A 87 27.089 15.690 8.413 1.00 0.00 O ATOM 1311 CB ASN A 87 25.146 17.582 8.356 1.00 0.00 C ATOM 1312 CG ASN A 87 24.090 18.653 8.163 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.314 19.824 8.474 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.932 18.257 7.648 1.00 0.00 N ATOM 0 H ASN A 87 25.794 18.295 5.301 1.00 0.00 H new ATOM 0 HA ASN A 87 26.775 18.490 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.664 16.606 8.407 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.649 17.739 9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.184 18.933 7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.791 17.277 7.405 1.00 0.00 H new ATOM 1321 N LEU A 88 27.957 16.153 6.390 1.00 0.00 N ATOM 1322 CA LEU A 88 28.906 15.045 6.422 1.00 0.00 C ATOM 1323 C LEU A 88 30.342 15.558 6.419 1.00 0.00 C ATOM 1324 O LEU A 88 30.596 16.721 6.105 1.00 0.00 O ATOM 1325 CB LEU A 88 28.680 14.119 5.225 1.00 0.00 C ATOM 1326 CG LEU A 88 27.291 13.488 5.118 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.165 12.693 3.827 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.014 12.601 6.322 1.00 0.00 C ATOM 0 H LEU A 88 27.997 16.718 5.542 1.00 0.00 H new ATOM 0 HA LEU A 88 28.742 14.485 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.872 14.684 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.419 13.319 5.266 1.00 0.00 H new ATOM 0 HG LEU A 88 26.550 14.287 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.170 12.251 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.319 13.355 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.915 11.902 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.021 12.161 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.760 11.808 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.062 13.198 7.233 1.00 0.00 H new ATOM 1340 N ASP A 89 31.278 14.682 6.767 1.00 0.00 N ATOM 1341 CA ASP A 89 32.690 15.045 6.801 1.00 0.00 C ATOM 1342 C ASP A 89 33.358 14.756 5.461 1.00 0.00 C ATOM 1343 O ASP A 89 33.354 13.628 4.968 1.00 0.00 O ATOM 1344 CB ASP A 89 33.407 14.283 7.917 1.00 0.00 C ATOM 1345 CG ASP A 89 33.370 15.023 9.240 1.00 0.00 C ATOM 1346 OD1 ASP A 89 32.260 15.383 9.686 1.00 0.00 O ATOM 1347 OD2 ASP A 89 34.449 15.242 9.829 1.00 0.00 O ATOM 0 H ASP A 89 31.085 13.716 7.030 1.00 0.00 H new ATOM 0 HA ASP A 89 32.760 16.115 6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.945 13.303 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.444 14.113 7.628 1.00 0.00 H new ATOM 1352 N PRO A 90 33.945 15.799 4.855 1.00 0.00 N ATOM 1353 CA PRO A 90 34.627 15.682 3.563 1.00 0.00 C ATOM 1354 C PRO A 90 35.923 14.884 3.661 1.00 0.00 C ATOM 1355 O PRO A 90 36.428 14.635 4.756 1.00 0.00 O ATOM 1356 CB PRO A 90 34.922 17.136 3.185 1.00 0.00 C ATOM 1357 CG PRO A 90 34.975 17.862 4.484 1.00 0.00 C ATOM 1358 CD PRO A 90 33.988 17.172 5.385 1.00 0.00 C ATOM 0 HA PRO A 90 34.021 15.150 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.865 17.221 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.146 17.542 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.979 17.830 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.717 18.913 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.312 17.191 6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.008 17.648 5.347 1.00 0.00 H new ATOM 1366 N SER A 91 36.457 14.487 2.511 1.00 0.00 N ATOM 1367 CA SER A 91 37.693 13.714 2.468 1.00 0.00 C ATOM 1368 C SER A 91 37.586 12.470 3.345 1.00 0.00 C ATOM 1369 O SER A 91 38.469 12.190 4.155 1.00 0.00 O ATOM 1370 CB SER A 91 38.873 14.574 2.925 1.00 0.00 C ATOM 1371 OG SER A 91 39.473 15.241 1.828 1.00 0.00 O ATOM 0 H SER A 91 36.053 14.688 1.596 1.00 0.00 H new ATOM 0 HA SER A 91 37.860 13.398 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.532 15.306 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.613 13.947 3.422 1.00 0.00 H new ATOM 0 HG SER A 91 40.223 15.785 2.147 1.00 0.00 H new ATOM 1377 N SER A 92 36.497 11.726 3.176 1.00 0.00 N ATOM 1378 CA SER A 92 36.272 10.513 3.953 1.00 0.00 C ATOM 1379 C SER A 92 35.387 9.534 3.188 1.00 0.00 C ATOM 1380 O SER A 92 34.543 9.937 2.387 1.00 0.00 O ATOM 1381 CB SER A 92 35.627 10.857 5.297 1.00 0.00 C ATOM 1382 OG SER A 92 36.425 11.774 6.026 1.00 0.00 O ATOM 0 H SER A 92 35.757 11.942 2.508 1.00 0.00 H new ATOM 0 HA SER A 92 37.238 10.040 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.638 11.283 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.488 9.947 5.881 1.00 0.00 H new ATOM 0 HG SER A 92 36.284 12.679 5.678 1.00 0.00 H new ATOM 1388 N HIS A 93 35.587 8.244 3.440 1.00 0.00 N ATOM 1389 CA HIS A 93 34.808 7.205 2.775 1.00 0.00 C ATOM 1390 C HIS A 93 33.562 6.859 3.585 1.00 0.00 C ATOM 1391 O HIS A 93 33.637 6.636 4.793 1.00 0.00 O ATOM 1392 CB HIS A 93 35.660 5.953 2.568 1.00 0.00 C ATOM 1393 CG HIS A 93 34.861 4.737 2.215 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.248 3.457 2.554 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.688 4.610 1.551 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.350 2.596 2.112 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.392 3.270 1.500 1.00 0.00 N ATOM 0 H HIS A 93 36.282 7.893 4.100 1.00 0.00 H new ATOM 0 HA HIS A 93 34.494 7.586 1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.385 6.144 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.226 5.754 3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.095 5.413 1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.391 1.523 2.230 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.567 2.861 1.061 1.00 0.00 H new ATOM 1406 N TYR A 94 32.418 6.818 2.912 1.00 0.00 N ATOM 1407 CA TYR A 94 31.155 6.502 3.569 1.00 0.00 C ATOM 1408 C TYR A 94 30.478 5.307 2.904 1.00 0.00 C ATOM 1409 O TYR A 94 30.325 5.266 1.684 1.00 0.00 O ATOM 1410 CB TYR A 94 30.222 7.714 3.537 1.00 0.00 C ATOM 1411 CG TYR A 94 30.488 8.713 4.640 1.00 0.00 C ATOM 1412 CD1 TYR A 94 29.860 8.598 5.874 1.00 0.00 C ATOM 1413 CD2 TYR A 94 31.367 9.772 4.448 1.00 0.00 C ATOM 1414 CE1 TYR A 94 30.100 9.509 6.885 1.00 0.00 C ATOM 1415 CE2 TYR A 94 31.614 10.687 5.454 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.978 10.551 6.670 1.00 0.00 C ATOM 1417 OH TYR A 94 31.220 11.460 7.674 1.00 0.00 O ATOM 0 H TYR A 94 32.339 7.000 1.911 1.00 0.00 H new ATOM 0 HA TYR A 94 31.369 6.244 4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.323 8.214 2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.190 7.370 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 94 29.173 7.783 6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 94 31.866 9.882 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 94 29.603 9.406 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 94 32.301 11.504 5.289 1.00 0.00 H new ATOM 0 HH TYR A 94 31.119 11.021 8.544 1.00 0.00 H new ATOM 1427 N VAL A 95 30.074 4.336 3.717 1.00 0.00 N ATOM 1428 CA VAL A 95 29.412 3.141 3.210 1.00 0.00 C ATOM 1429 C VAL A 95 27.897 3.314 3.201 1.00 0.00 C ATOM 1430 O VAL A 95 27.264 3.381 4.254 1.00 0.00 O ATOM 1431 CB VAL A 95 29.771 1.901 4.051 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.096 0.660 3.488 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.280 1.717 4.112 1.00 0.00 C ATOM 0 H VAL A 95 30.194 4.354 4.730 1.00 0.00 H new ATOM 0 HA VAL A 95 29.764 2.993 2.189 1.00 0.00 H new ATOM 0 HB VAL A 95 29.406 2.054 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.361 -0.206 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.015 0.796 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.428 0.499 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.515 0.837 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.672 1.586 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.736 2.597 4.567 1.00 0.00 H new ATOM 1443 N ILE A 96 27.323 3.384 2.004 1.00 0.00 N ATOM 1444 CA ILE A 96 25.882 3.548 1.858 1.00 0.00 C ATOM 1445 C ILE A 96 25.202 2.210 1.588 1.00 0.00 C ATOM 1446 O ILE A 96 25.697 1.394 0.810 1.00 0.00 O ATOM 1447 CB ILE A 96 25.540 4.524 0.717 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.958 5.947 1.092 1.00 0.00 C ATOM 1449 CG2 ILE A 96 24.052 4.469 0.401 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.383 6.279 0.707 1.00 0.00 C ATOM 0 H ILE A 96 27.833 3.330 1.123 1.00 0.00 H new ATOM 0 HA ILE A 96 25.513 3.958 2.798 1.00 0.00 H new ATOM 0 HB ILE A 96 26.092 4.226 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.285 6.654 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.840 6.080 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.826 5.164 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.782 3.458 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.481 4.745 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.611 7.303 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.065 5.595 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.501 6.178 -0.372 1.00 0.00 H new ATOM 1462 N THR A 97 24.062 1.990 2.237 1.00 0.00 N ATOM 1463 CA THR A 97 23.313 0.752 2.067 1.00 0.00 C ATOM 1464 C THR A 97 21.824 1.030 1.892 1.00 0.00 C ATOM 1465 O THR A 97 21.284 1.970 2.478 1.00 0.00 O ATOM 1466 CB THR A 97 23.509 -0.192 3.268 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.028 0.430 4.465 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.976 -0.557 3.435 1.00 0.00 C ATOM 0 H THR A 97 23.638 2.654 2.885 1.00 0.00 H new ATOM 0 HA THR A 97 23.698 0.270 1.168 1.00 0.00 H new ATOM 0 HB THR A 97 22.942 -1.104 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.155 -0.178 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.090 -1.224 4.289 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.331 -1.057 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.560 0.348 3.602 1.00 0.00 H new ATOM 1476 N LEU A 98 21.164 0.208 1.084 1.00 0.00 N ATOM 1477 CA LEU A 98 19.736 0.364 0.833 1.00 0.00 C ATOM 1478 C LEU A 98 19.036 -0.991 0.802 1.00 0.00 C ATOM 1479 O LEU A 98 19.540 -1.949 0.215 1.00 0.00 O ATOM 1480 CB LEU A 98 19.509 1.099 -0.490 1.00 0.00 C ATOM 1481 CG LEU A 98 18.101 1.002 -1.078 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.208 2.094 -0.509 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.150 1.088 -2.596 1.00 0.00 C ATOM 0 H LEU A 98 21.595 -0.574 0.591 1.00 0.00 H new ATOM 0 HA LEU A 98 19.311 0.952 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.748 2.152 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.215 0.711 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 98 17.679 0.036 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.210 2.009 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.147 1.986 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.626 3.070 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.139 1.017 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.592 2.039 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.754 0.269 -2.988 1.00 0.00 H new ATOM 1495 N LYS A 99 17.871 -1.064 1.436 1.00 0.00 N ATOM 1496 CA LYS A 99 17.099 -2.300 1.480 1.00 0.00 C ATOM 1497 C LYS A 99 15.611 -2.018 1.303 1.00 0.00 C ATOM 1498 O LYS A 99 15.046 -1.162 1.984 1.00 0.00 O ATOM 1499 CB LYS A 99 17.337 -3.028 2.805 1.00 0.00 C ATOM 1500 CG LYS A 99 17.007 -2.190 4.027 1.00 0.00 C ATOM 1501 CD LYS A 99 16.979 -3.033 5.291 1.00 0.00 C ATOM 1502 CE LYS A 99 18.382 -3.422 5.732 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.433 -3.759 7.182 1.00 0.00 N ATOM 0 H LYS A 99 17.440 -0.281 1.927 1.00 0.00 H new ATOM 0 HA LYS A 99 17.431 -2.936 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.735 -3.936 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.381 -3.337 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.746 -1.396 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.039 -1.708 3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.486 -2.478 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.389 -3.933 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.723 -4.277 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.069 -2.601 5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.405 -4.019 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.132 -2.935 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.797 -4.559 7.375 1.00 0.00 H new ATOM 1517 N ALA A 100 14.980 -2.744 0.385 1.00 0.00 N ATOM 1518 CA ALA A 100 13.557 -2.574 0.122 1.00 0.00 C ATOM 1519 C ALA A 100 12.715 -3.285 1.176 1.00 0.00 C ATOM 1520 O ALA A 100 12.825 -4.498 1.358 1.00 0.00 O ATOM 1521 CB ALA A 100 13.212 -3.089 -1.267 1.00 0.00 C ATOM 0 H ALA A 100 15.433 -3.456 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 100 13.329 -1.509 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.146 -2.956 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.780 -2.533 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.462 -4.148 -1.335 1.00 0.00 H new ATOM 1527 N PHE A 101 11.875 -2.523 1.869 1.00 0.00 N ATOM 1528 CA PHE A 101 11.015 -3.081 2.907 1.00 0.00 C ATOM 1529 C PHE A 101 9.551 -2.746 2.637 1.00 0.00 C ATOM 1530 O PHE A 101 9.234 -1.684 2.105 1.00 0.00 O ATOM 1531 CB PHE A 101 11.428 -2.548 4.281 1.00 0.00 C ATOM 1532 CG PHE A 101 10.856 -1.195 4.595 1.00 0.00 C ATOM 1533 CD1 PHE A 101 9.503 -1.042 4.847 1.00 0.00 C ATOM 1534 CD2 PHE A 101 11.673 -0.077 4.639 1.00 0.00 C ATOM 1535 CE1 PHE A 101 8.974 0.202 5.137 1.00 0.00 C ATOM 1536 CE2 PHE A 101 11.150 1.169 4.929 1.00 0.00 C ATOM 1537 CZ PHE A 101 9.798 1.309 5.177 1.00 0.00 C ATOM 0 H PHE A 101 11.771 -1.518 1.731 1.00 0.00 H new ATOM 0 HA PHE A 101 11.129 -4.165 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.110 -3.255 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.516 -2.494 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.854 -1.904 4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.730 -0.180 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.917 0.308 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.798 2.033 4.962 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.387 2.282 5.402 1.00 0.00 H new ATOM 1547 N ASN A 102 8.663 -3.662 3.010 1.00 0.00 N ATOM 1548 CA ASN A 102 7.232 -3.466 2.808 1.00 0.00 C ATOM 1549 C ASN A 102 6.437 -3.997 3.997 1.00 0.00 C ATOM 1550 O ASN A 102 7.010 -4.442 4.990 1.00 0.00 O ATOM 1551 CB ASN A 102 6.777 -4.163 1.524 1.00 0.00 C ATOM 1552 CG ASN A 102 6.874 -5.674 1.621 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.518 -6.209 2.523 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.231 -6.368 0.689 1.00 0.00 N ATOM 0 H ASN A 102 8.909 -4.547 3.454 1.00 0.00 H new ATOM 0 HA ASN A 102 7.046 -2.396 2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.747 -3.881 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.386 -3.815 0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.259 -7.388 0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.709 -5.881 -0.040 1.00 0.00 H new ATOM 1561 N ASN A 103 5.114 -3.946 3.887 1.00 0.00 N ATOM 1562 CA ASN A 103 4.240 -4.421 4.954 1.00 0.00 C ATOM 1563 C ASN A 103 4.720 -5.765 5.493 1.00 0.00 C ATOM 1564 O ASN A 103 4.717 -5.998 6.702 1.00 0.00 O ATOM 1565 CB ASN A 103 2.802 -4.548 4.445 1.00 0.00 C ATOM 1566 CG ASN A 103 1.805 -4.745 5.570 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.089 -5.745 5.612 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.755 -3.789 6.490 1.00 0.00 N ATOM 0 H ASN A 103 4.623 -3.581 3.071 1.00 0.00 H new ATOM 0 HA ASN A 103 4.269 -3.693 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.538 -3.652 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.737 -5.389 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.104 -3.867 7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.368 -2.977 6.415 1.00 0.00 H new ATOM 1575 N VAL A 104 5.134 -6.646 4.587 1.00 0.00 N ATOM 1576 CA VAL A 104 5.619 -7.966 4.971 1.00 0.00 C ATOM 1577 C VAL A 104 6.958 -7.870 5.695 1.00 0.00 C ATOM 1578 O VAL A 104 7.136 -8.441 6.770 1.00 0.00 O ATOM 1579 CB VAL A 104 5.776 -8.885 3.745 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.320 -10.243 4.162 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.448 -9.033 3.018 1.00 0.00 C ATOM 0 H VAL A 104 5.143 -6.469 3.583 1.00 0.00 H new ATOM 0 HA VAL A 104 4.875 -8.393 5.643 1.00 0.00 H new ATOM 0 HB VAL A 104 6.491 -8.430 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.424 -10.879 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.294 -10.115 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.632 -10.709 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.577 -9.685 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.710 -9.466 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.104 -8.054 2.685 1.00 0.00 H new ATOM 1591 N GLY A 105 7.897 -7.143 5.098 1.00 0.00 N ATOM 1592 CA GLY A 105 9.208 -6.985 5.700 1.00 0.00 C ATOM 1593 C GLY A 105 10.249 -6.511 4.706 1.00 0.00 C ATOM 1594 O GLY A 105 9.911 -6.054 3.614 1.00 0.00 O ATOM 0 H GLY A 105 7.773 -6.660 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.143 -6.272 6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.525 -7.936 6.128 1.00 0.00 H new ATOM 1598 N GLU A 106 11.519 -6.618 5.084 1.00 0.00 N ATOM 1599 CA GLU A 106 12.612 -6.193 4.218 1.00 0.00 C ATOM 1600 C GLU A 106 13.521 -7.369 3.873 1.00 0.00 C ATOM 1601 O GLU A 106 13.549 -8.375 4.582 1.00 0.00 O ATOM 1602 CB GLU A 106 13.425 -5.086 4.891 1.00 0.00 C ATOM 1603 CG GLU A 106 14.131 -5.534 6.160 1.00 0.00 C ATOM 1604 CD GLU A 106 13.184 -5.670 7.337 1.00 0.00 C ATOM 1605 OE1 GLU A 106 12.379 -4.742 7.560 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.248 -6.704 8.034 1.00 0.00 O ATOM 0 H GLU A 106 11.816 -6.995 5.984 1.00 0.00 H new ATOM 0 HA GLU A 106 12.181 -5.806 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.167 -4.712 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.763 -4.254 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.621 -6.491 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.913 -4.817 6.409 1.00 0.00 H new ATOM 1613 N GLY A 107 14.264 -7.235 2.779 1.00 0.00 N ATOM 1614 CA GLY A 107 15.164 -8.293 2.359 1.00 0.00 C ATOM 1615 C GLY A 107 16.606 -8.011 2.730 1.00 0.00 C ATOM 1616 O GLY A 107 16.909 -7.716 3.887 1.00 0.00 O ATOM 0 H GLY A 107 14.259 -6.412 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.852 -9.233 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 107 15.089 -8.422 1.279 1.00 0.00 H new ATOM 1620 N ILE A 108 17.497 -8.101 1.749 1.00 0.00 N ATOM 1621 CA ILE A 108 18.915 -7.853 1.980 1.00 0.00 C ATOM 1622 C ILE A 108 19.337 -6.504 1.409 1.00 0.00 C ATOM 1623 O ILE A 108 19.061 -6.176 0.255 1.00 0.00 O ATOM 1624 CB ILE A 108 19.788 -8.958 1.356 1.00 0.00 C ATOM 1625 CG1 ILE A 108 19.090 -9.562 0.136 1.00 0.00 C ATOM 1626 CG2 ILE A 108 20.095 -10.035 2.385 1.00 0.00 C ATOM 1627 CD1 ILE A 108 18.077 -10.629 0.487 1.00 0.00 C ATOM 0 H ILE A 108 17.262 -8.344 0.786 1.00 0.00 H new ATOM 0 HA ILE A 108 19.063 -7.850 3.060 1.00 0.00 H new ATOM 0 HB ILE A 108 20.730 -8.516 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 108 18.591 -8.767 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 108 19.841 -9.990 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.713 -10.809 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.629 -9.593 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 108 19.163 -10.476 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 108 17.621 -11.013 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 108 18.574 -11.443 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 108 17.304 -10.201 1.126 1.00 0.00 H new ATOM 1639 N PRO A 109 20.024 -5.701 2.235 1.00 0.00 N ATOM 1640 CA PRO A 109 20.501 -4.374 1.834 1.00 0.00 C ATOM 1641 C PRO A 109 21.629 -4.449 0.810 1.00 0.00 C ATOM 1642 O PRO A 109 22.100 -5.535 0.469 1.00 0.00 O ATOM 1643 CB PRO A 109 21.009 -3.768 3.145 1.00 0.00 C ATOM 1644 CG PRO A 109 21.362 -4.941 3.993 1.00 0.00 C ATOM 1645 CD PRO A 109 20.388 -6.026 3.624 1.00 0.00 C ATOM 0 HA PRO A 109 19.718 -3.788 1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.874 -3.127 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.244 -3.153 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.388 -5.259 3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.288 -4.694 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.840 -7.015 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.517 -6.023 4.279 1.00 0.00 H new ATOM 1653 N LEU A 110 22.058 -3.290 0.324 1.00 0.00 N ATOM 1654 CA LEU A 110 23.132 -3.224 -0.661 1.00 0.00 C ATOM 1655 C LEU A 110 24.404 -2.651 -0.043 1.00 0.00 C ATOM 1656 O LEU A 110 24.405 -2.217 1.109 1.00 0.00 O ATOM 1657 CB LEU A 110 22.703 -2.370 -1.856 1.00 0.00 C ATOM 1658 CG LEU A 110 21.694 -3.010 -2.810 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.815 -1.946 -3.450 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.411 -3.824 -3.877 1.00 0.00 C ATOM 0 H LEU A 110 21.679 -2.383 0.596 1.00 0.00 H new ATOM 0 HA LEU A 110 23.341 -4.238 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.277 -1.440 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.594 -2.104 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 110 21.056 -3.682 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.103 -2.420 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.274 -1.406 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.438 -1.248 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.677 -4.272 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.073 -3.173 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.997 -4.611 -3.402 1.00 0.00 H new ATOM 1672 N TYR A 111 25.483 -2.651 -0.817 1.00 0.00 N ATOM 1673 CA TYR A 111 26.762 -2.132 -0.346 1.00 0.00 C ATOM 1674 C TYR A 111 27.426 -1.269 -1.414 1.00 0.00 C ATOM 1675 O TYR A 111 27.745 -1.746 -2.503 1.00 0.00 O ATOM 1676 CB TYR A 111 27.690 -3.283 0.045 1.00 0.00 C ATOM 1677 CG TYR A 111 27.441 -3.815 1.438 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.226 -4.400 1.773 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.421 -3.734 2.420 1.00 0.00 C ATOM 1680 CE1 TYR A 111 25.994 -4.887 3.045 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.198 -4.220 3.694 1.00 0.00 C ATOM 1682 CZ TYR A 111 26.983 -4.795 4.002 1.00 0.00 C ATOM 1683 OH TYR A 111 26.756 -5.280 5.269 1.00 0.00 O ATOM 0 H TYR A 111 25.498 -3.005 -1.774 1.00 0.00 H new ATOM 0 HA TYR A 111 26.573 -1.512 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.570 -4.095 -0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.724 -2.945 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.450 -4.475 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.373 -3.283 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.043 -5.337 3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 111 28.971 -4.150 4.445 1.00 0.00 H new ATOM 0 HH TYR A 111 27.553 -5.139 5.821 1.00 0.00 H new ATOM 1693 N GLU A 112 27.631 0.005 -1.093 1.00 0.00 N ATOM 1694 CA GLU A 112 28.257 0.936 -2.024 1.00 0.00 C ATOM 1695 C GLU A 112 29.399 1.693 -1.352 1.00 0.00 C ATOM 1696 O GLU A 112 29.582 1.611 -0.137 1.00 0.00 O ATOM 1697 CB GLU A 112 27.222 1.925 -2.564 1.00 0.00 C ATOM 1698 CG GLU A 112 26.506 1.437 -3.811 1.00 0.00 C ATOM 1699 CD GLU A 112 27.450 0.813 -4.820 1.00 0.00 C ATOM 1700 OE1 GLU A 112 28.350 1.527 -5.311 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.290 -0.389 -5.119 1.00 0.00 O ATOM 0 H GLU A 112 27.373 0.415 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 112 28.666 0.360 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.484 2.126 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.717 2.870 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.748 0.706 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.984 2.273 -4.276 1.00 0.00 H new ATOM 1708 N SER A 113 30.165 2.428 -2.151 1.00 0.00 N ATOM 1709 CA SER A 113 31.292 3.197 -1.636 1.00 0.00 C ATOM 1710 C SER A 113 31.302 4.606 -2.220 1.00 0.00 C ATOM 1711 O SER A 113 31.063 4.797 -3.412 1.00 0.00 O ATOM 1712 CB SER A 113 32.609 2.489 -1.958 1.00 0.00 C ATOM 1713 OG SER A 113 32.671 2.127 -3.327 1.00 0.00 O ATOM 0 H SER A 113 30.026 2.507 -3.158 1.00 0.00 H new ATOM 0 HA SER A 113 31.184 3.273 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.446 3.142 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.708 1.598 -1.338 1.00 0.00 H new ATOM 0 HG SER A 113 33.523 1.678 -3.508 1.00 0.00 H new ATOM 1719 N ALA A 114 31.580 5.590 -1.372 1.00 0.00 N ATOM 1720 CA ALA A 114 31.623 6.981 -1.803 1.00 0.00 C ATOM 1721 C ALA A 114 32.598 7.790 -0.953 1.00 0.00 C ATOM 1722 O ALA A 114 32.476 7.839 0.271 1.00 0.00 O ATOM 1723 CB ALA A 114 30.233 7.596 -1.744 1.00 0.00 C ATOM 0 H ALA A 114 31.779 5.449 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 114 31.975 7.004 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 114 30.281 8.635 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.562 7.041 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.859 7.552 -0.721 1.00 0.00 H new ATOM 1729 N VAL A 115 33.566 8.422 -1.610 1.00 0.00 N ATOM 1730 CA VAL A 115 34.561 9.228 -0.914 1.00 0.00 C ATOM 1731 C VAL A 115 34.316 10.716 -1.137 1.00 0.00 C ATOM 1732 O VAL A 115 34.638 11.259 -2.195 1.00 0.00 O ATOM 1733 CB VAL A 115 35.989 8.879 -1.376 1.00 0.00 C ATOM 1734 CG1 VAL A 115 37.008 9.760 -0.670 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.282 7.407 -1.130 1.00 0.00 C ATOM 0 H VAL A 115 33.682 8.391 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 115 34.465 9.002 0.148 1.00 0.00 H new ATOM 0 HB VAL A 115 36.063 9.067 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 115 38.011 9.499 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.807 10.806 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.937 9.607 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.294 7.177 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.191 7.191 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.571 6.797 -1.686 1.00 0.00 H new ATOM 1745 N THR A 116 33.744 11.374 -0.133 1.00 0.00 N ATOM 1746 CA THR A 116 33.455 12.799 -0.219 1.00 0.00 C ATOM 1747 C THR A 116 34.670 13.578 -0.712 1.00 0.00 C ATOM 1748 O THR A 116 35.801 13.301 -0.312 1.00 0.00 O ATOM 1749 CB THR A 116 33.015 13.367 1.144 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.909 12.925 2.171 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.596 12.931 1.478 1.00 0.00 C ATOM 0 H THR A 116 33.472 10.941 0.750 1.00 0.00 H new ATOM 0 HA THR A 116 32.639 12.913 -0.933 1.00 0.00 H new ATOM 0 HB THR A 116 33.040 14.455 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.393 12.540 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.307 13.344 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.913 13.294 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.550 11.843 1.520 1.00 0.00 H new ATOM 1759 N ARG A 117 34.428 14.553 -1.582 1.00 0.00 N ATOM 1760 CA ARG A 117 35.503 15.372 -2.129 1.00 0.00 C ATOM 1761 C ARG A 117 36.136 16.236 -1.043 1.00 0.00 C ATOM 1762 O ARG A 117 35.509 16.572 -0.038 1.00 0.00 O ATOM 1763 CB ARG A 117 34.974 16.259 -3.257 1.00 0.00 C ATOM 1764 CG ARG A 117 34.792 15.524 -4.576 1.00 0.00 C ATOM 1765 CD ARG A 117 34.801 16.485 -5.755 1.00 0.00 C ATOM 1766 NE ARG A 117 36.157 16.856 -6.147 1.00 0.00 N ATOM 1767 CZ ARG A 117 36.431 17.813 -7.027 1.00 0.00 C ATOM 1768 NH1 ARG A 117 35.448 18.491 -7.602 1.00 0.00 N ATOM 1769 NH2 ARG A 117 37.692 18.094 -7.333 1.00 0.00 N ATOM 0 H ARG A 117 33.498 14.795 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 117 36.266 14.704 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 117 34.018 16.686 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.662 17.091 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.588 14.790 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.851 14.974 -4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 117 34.292 16.025 -6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 117 34.240 17.383 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 117 36.936 16.353 -5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 117 34.478 18.279 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.662 19.225 -8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 117 38.452 17.575 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 117 37.901 18.829 -8.009 1.00 0.00 H new ATOM 1783 N PRO A 118 37.409 16.606 -1.247 1.00 0.00 N ATOM 1784 CA PRO A 118 38.155 17.436 -0.296 1.00 0.00 C ATOM 1785 C PRO A 118 37.642 18.871 -0.253 1.00 0.00 C ATOM 1786 O PRO A 118 37.752 19.610 -1.232 1.00 0.00 O ATOM 1787 CB PRO A 118 39.586 17.396 -0.836 1.00 0.00 C ATOM 1788 CG PRO A 118 39.434 17.119 -2.292 1.00 0.00 C ATOM 1789 CD PRO A 118 38.219 16.243 -2.422 1.00 0.00 C ATOM 0 HA PRO A 118 38.060 17.069 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.100 18.342 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.173 16.620 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.310 18.044 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.319 16.621 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.684 16.433 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.484 15.186 -2.416 1.00 0.00 H new ATOM 1797 N HIS A 119 37.082 19.261 0.888 1.00 0.00 N ATOM 1798 CA HIS A 119 36.553 20.609 1.058 1.00 0.00 C ATOM 1799 C HIS A 119 37.651 21.652 0.873 1.00 0.00 C ATOM 1800 O HIS A 119 38.339 22.021 1.825 1.00 0.00 O ATOM 1801 CB HIS A 119 35.919 20.760 2.442 1.00 0.00 C ATOM 1802 CG HIS A 119 34.950 21.899 2.536 1.00 0.00 C ATOM 1803 ND1 HIS A 119 35.344 23.220 2.573 1.00 0.00 N ATOM 1804 CD2 HIS A 119 33.598 21.908 2.599 1.00 0.00 C ATOM 1805 CE1 HIS A 119 34.275 23.993 2.657 1.00 0.00 C ATOM 1806 NE2 HIS A 119 33.203 23.221 2.674 1.00 0.00 N ATOM 0 H HIS A 119 36.983 18.663 1.708 1.00 0.00 H new ATOM 0 HA HIS A 119 35.790 20.771 0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 119 35.405 19.834 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 119 36.708 20.903 3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 119 32.951 21.044 2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 119 34.277 25.072 2.704 1.00 0.00 H new ATOM 0 HE2 HIS A 119 32.238 23.547 2.733 1.00 0.00 H new ATOM 1815 N THR A 120 37.812 22.122 -0.360 1.00 0.00 N ATOM 1816 CA THR A 120 38.828 23.119 -0.671 1.00 0.00 C ATOM 1817 C THR A 120 38.520 24.448 0.009 1.00 0.00 C ATOM 1818 O THR A 120 37.361 24.766 0.276 1.00 0.00 O ATOM 1819 CB THR A 120 38.945 23.348 -2.190 1.00 0.00 C ATOM 1820 OG1 THR A 120 39.978 24.300 -2.464 1.00 0.00 O ATOM 1821 CG2 THR A 120 37.626 23.843 -2.765 1.00 0.00 C ATOM 0 H THR A 120 37.251 21.828 -1.160 1.00 0.00 H new ATOM 0 HA THR A 120 39.775 22.732 -0.295 1.00 0.00 H new ATOM 0 HB THR A 120 39.195 22.397 -2.661 1.00 0.00 H new ATOM 0 HG1 THR A 120 40.047 24.438 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 120 37.732 23.998 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 120 36.848 23.102 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 120 37.352 24.784 -2.288 1.00 0.00 H new ATOM 1829 N SER A 121 39.565 25.222 0.287 1.00 0.00 N ATOM 1830 CA SER A 121 39.406 26.516 0.939 1.00 0.00 C ATOM 1831 C SER A 121 39.444 27.648 -0.083 1.00 0.00 C ATOM 1832 O SER A 121 38.594 28.538 -0.072 1.00 0.00 O ATOM 1833 CB SER A 121 40.503 26.722 1.986 1.00 0.00 C ATOM 1834 OG SER A 121 40.338 27.956 2.662 1.00 0.00 O ATOM 0 H SER A 121 40.531 24.975 0.071 1.00 0.00 H new ATOM 0 HA SER A 121 38.435 26.529 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 121 40.481 25.904 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 121 41.480 26.696 1.503 1.00 0.00 H new ATOM 0 HG SER A 121 41.050 28.063 3.326 1.00 0.00 H new ATOM 1840 N GLY A 122 40.437 27.607 -0.966 1.00 0.00 N ATOM 1841 CA GLY A 122 40.569 28.634 -1.983 1.00 0.00 C ATOM 1842 C GLY A 122 42.012 29.027 -2.226 1.00 0.00 C ATOM 1843 O GLY A 122 42.672 28.521 -3.133 1.00 0.00 O ATOM 0 H GLY A 122 41.153 26.881 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 122 40.131 28.276 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 122 40.002 29.515 -1.682 1.00 0.00 H new ATOM 1847 N PRO A 123 42.524 29.954 -1.402 1.00 0.00 N ATOM 1848 CA PRO A 123 43.904 30.437 -1.513 1.00 0.00 C ATOM 1849 C PRO A 123 44.923 29.376 -1.112 1.00 0.00 C ATOM 1850 O PRO A 123 44.784 28.730 -0.073 1.00 0.00 O ATOM 1851 CB PRO A 123 43.946 31.616 -0.537 1.00 0.00 C ATOM 1852 CG PRO A 123 42.876 31.323 0.457 1.00 0.00 C ATOM 1853 CD PRO A 123 41.795 30.601 -0.298 1.00 0.00 C ATOM 0 HA PRO A 123 44.162 30.705 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 123 44.921 31.698 -0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 123 43.763 32.561 -1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 123 43.259 30.709 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 123 42.494 32.242 0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 123 41.286 29.870 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 123 41.035 31.289 -0.667 1.00 0.00 H new ATOM 1861 N SER A 124 45.947 29.203 -1.941 1.00 0.00 N ATOM 1862 CA SER A 124 46.989 28.218 -1.674 1.00 0.00 C ATOM 1863 C SER A 124 46.402 26.811 -1.611 1.00 0.00 C ATOM 1864 O SER A 124 46.819 25.989 -0.795 1.00 0.00 O ATOM 1865 CB SER A 124 47.704 28.544 -0.361 1.00 0.00 C ATOM 1866 OG SER A 124 48.311 29.823 -0.415 1.00 0.00 O ATOM 0 H SER A 124 46.078 29.732 -2.803 1.00 0.00 H new ATOM 0 HA SER A 124 47.710 28.256 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 124 46.991 28.511 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 124 48.461 27.787 -0.158 1.00 0.00 H new ATOM 0 HG SER A 124 48.760 30.008 0.436 1.00 0.00 H new ATOM 1872 N SER A 125 45.432 26.541 -2.479 1.00 0.00 N ATOM 1873 CA SER A 125 44.785 25.235 -2.521 1.00 0.00 C ATOM 1874 C SER A 125 45.788 24.143 -2.879 1.00 0.00 C ATOM 1875 O SER A 125 45.890 23.128 -2.191 1.00 0.00 O ATOM 1876 CB SER A 125 43.638 25.243 -3.534 1.00 0.00 C ATOM 1877 OG SER A 125 42.495 25.893 -3.005 1.00 0.00 O ATOM 0 H SER A 125 45.077 27.210 -3.163 1.00 0.00 H new ATOM 0 HA SER A 125 44.383 25.024 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 125 43.958 25.747 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 125 43.384 24.219 -3.808 1.00 0.00 H new ATOM 0 HG SER A 125 42.408 26.782 -3.409 1.00 0.00 H new ATOM 1883 N GLY A 126 46.527 24.360 -3.963 1.00 0.00 N ATOM 1884 CA GLY A 126 47.512 23.386 -4.396 1.00 0.00 C ATOM 1885 C GLY A 126 48.684 24.026 -5.113 1.00 0.00 C ATOM 1886 O GLY A 126 49.739 23.410 -5.265 1.00 0.00 O ATOM 0 H GLY A 126 46.461 25.192 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 126 47.877 22.834 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 126 47.036 22.662 -5.058 1.00 0.00 H new TER 1890 GLY A 126