USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 834 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 81 GLN : amide:sc= 0.237 X(o=0.48,f=0) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.245 X(o=0.48,f=0) USER MOD Set 2.1: A 54 TYR OH : rot -144:sc= 1.29 USER MOD Set 2.2: A 66 GLN : amide:sc= -0.0411 X(o=-6.3,f=-6.3) USER MOD Set 2.3: A 70 HIS : no HE2:sc= -7.54! C(o=-6.3!,f=-7.6!) USER MOD Set 3.1: A 51 TYR OH : rot -14:sc= -0.712 USER MOD Set 3.2: A 63 THR OG1 : rot 85:sc= 0.00211 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.54) USER MOD Single : A 10 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.23) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -52:sc= 0.178 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0987) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 61:sc= 1.13 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 55:sc= 0.0199 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc=-0.00636 (180deg=-0.426) USER MOD Single : A 44 GLN : amide:sc= -0.685 K(o=-0.68,f=-3.4!) USER MOD Single : A 45 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.051) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.308 USER MOD Single : A 59 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-2.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 104:sc= 0.81 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.943 K(o=-0.94,f=-0.39) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.134 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.55) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0844 K(o=-0.084,f=-8.3!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.442 -16.552 19.605 1.00 0.00 N ATOM 2 CA GLY A 1 -47.303 -15.669 19.234 1.00 0.00 C ATOM 3 C GLY A 1 -46.016 -16.443 19.005 1.00 0.00 C ATOM 4 O GLY A 1 -45.251 -16.668 19.942 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.295 -15.975 19.750 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.613 -17.237 18.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -48.215 -17.061 20.483 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.556 -15.116 18.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.145 -14.934 20.023 1.00 0.00 H new ATOM 10 N PRO A 2 -45.749 -16.868 17.758 1.00 0.00 N ATOM 11 CA PRO A 2 -44.538 -17.623 17.423 1.00 0.00 C ATOM 12 C PRO A 2 -43.279 -16.767 17.516 1.00 0.00 C ATOM 13 O PRO A 2 -43.341 -15.588 17.865 1.00 0.00 O ATOM 14 CB PRO A 2 -44.779 -18.062 15.976 1.00 0.00 C ATOM 15 CG PRO A 2 -45.729 -17.056 15.429 1.00 0.00 C ATOM 16 CD PRO A 2 -46.606 -16.644 16.578 1.00 0.00 C ATOM 0 HA PRO A 2 -44.372 -18.452 18.111 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -43.849 -18.079 15.407 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -45.198 -19.067 15.932 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -45.195 -16.199 15.019 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -46.322 -17.480 14.619 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -46.913 -15.601 16.496 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -47.517 -17.241 16.623 1.00 0.00 H new ATOM 24 N GLY A 3 -42.136 -17.370 17.203 1.00 0.00 N ATOM 25 CA GLY A 3 -40.879 -16.649 17.259 1.00 0.00 C ATOM 26 C GLY A 3 -39.680 -17.576 17.285 1.00 0.00 C ATOM 27 O GLY A 3 -38.717 -17.377 16.546 1.00 0.00 O ATOM 0 H GLY A 3 -42.059 -18.345 16.912 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -40.804 -15.987 16.396 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -40.865 -16.017 18.147 1.00 0.00 H new ATOM 31 N SER A 4 -39.741 -18.594 18.140 1.00 0.00 N ATOM 32 CA SER A 4 -38.653 -19.558 18.263 1.00 0.00 C ATOM 33 C SER A 4 -37.384 -18.888 18.783 1.00 0.00 C ATOM 34 O SER A 4 -37.053 -18.997 19.963 1.00 0.00 O ATOM 35 CB SER A 4 -38.379 -20.227 16.914 1.00 0.00 C ATOM 36 OG SER A 4 -39.069 -21.461 16.807 1.00 0.00 O ATOM 0 H SER A 4 -40.533 -18.772 18.758 1.00 0.00 H new ATOM 0 HA SER A 4 -38.957 -20.319 18.981 1.00 0.00 H new ATOM 0 HB2 SER A 4 -38.687 -19.563 16.106 1.00 0.00 H new ATOM 0 HB3 SER A 4 -37.308 -20.394 16.798 1.00 0.00 H new ATOM 0 HG SER A 4 -38.879 -21.868 15.936 1.00 0.00 H new ATOM 42 N LEU A 5 -36.679 -18.194 17.896 1.00 0.00 N ATOM 43 CA LEU A 5 -35.448 -17.507 18.266 1.00 0.00 C ATOM 44 C LEU A 5 -35.216 -16.288 17.380 1.00 0.00 C ATOM 45 O LEU A 5 -34.840 -16.419 16.213 1.00 0.00 O ATOM 46 CB LEU A 5 -34.255 -18.461 18.165 1.00 0.00 C ATOM 47 CG LEU A 5 -33.172 -18.257 19.225 1.00 0.00 C ATOM 48 CD1 LEU A 5 -32.554 -16.875 19.096 1.00 0.00 C ATOM 49 CD2 LEU A 5 -33.746 -18.460 20.619 1.00 0.00 C ATOM 0 H LEU A 5 -36.940 -18.093 16.915 1.00 0.00 H new ATOM 0 HA LEU A 5 -35.547 -17.169 19.298 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -34.621 -19.485 18.234 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -33.803 -18.350 17.179 1.00 0.00 H new ATOM 0 HG LEU A 5 -32.389 -18.998 19.066 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -31.785 -16.748 19.858 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -32.106 -16.767 18.108 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -33.326 -16.117 19.229 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -32.961 -18.311 21.361 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -34.548 -17.742 20.790 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -34.140 -19.472 20.706 1.00 0.00 H new ATOM 61 N SER A 6 -35.443 -15.104 17.937 1.00 0.00 N ATOM 62 CA SER A 6 -35.260 -13.863 17.196 1.00 0.00 C ATOM 63 C SER A 6 -36.179 -13.817 15.979 1.00 0.00 C ATOM 64 O SER A 6 -35.833 -14.319 14.908 1.00 0.00 O ATOM 65 CB SER A 6 -33.802 -13.716 16.755 1.00 0.00 C ATOM 66 OG SER A 6 -33.052 -12.982 17.708 1.00 0.00 O ATOM 0 H SER A 6 -35.754 -14.978 18.900 1.00 0.00 H new ATOM 0 HA SER A 6 -35.517 -13.034 17.855 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.358 -14.702 16.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.760 -13.213 15.789 1.00 0.00 H new ATOM 0 HG SER A 6 -32.124 -12.904 17.404 1.00 0.00 H new ATOM 72 N ASN A 7 -37.349 -13.211 16.149 1.00 0.00 N ATOM 73 CA ASN A 7 -38.317 -13.100 15.065 1.00 0.00 C ATOM 74 C ASN A 7 -39.176 -11.851 15.232 1.00 0.00 C ATOM 75 O ASN A 7 -40.346 -11.833 14.846 1.00 0.00 O ATOM 76 CB ASN A 7 -39.207 -14.343 15.018 1.00 0.00 C ATOM 77 CG ASN A 7 -39.987 -14.447 13.721 1.00 0.00 C ATOM 78 OD1 ASN A 7 -39.425 -14.324 12.634 1.00 0.00 O ATOM 79 ND2 ASN A 7 -41.290 -14.677 13.832 1.00 0.00 N ATOM 0 H ASN A 7 -37.650 -12.789 17.028 1.00 0.00 H new ATOM 0 HA ASN A 7 -37.768 -13.020 14.127 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -38.590 -15.233 15.140 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -39.903 -14.320 15.857 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -41.867 -14.759 12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -41.714 -14.772 14.755 1.00 0.00 H new ATOM 86 N PHE A 8 -38.590 -10.808 15.808 1.00 0.00 N ATOM 87 CA PHE A 8 -39.301 -9.553 16.026 1.00 0.00 C ATOM 88 C PHE A 8 -38.528 -8.379 15.436 1.00 0.00 C ATOM 89 O PHE A 8 -39.103 -7.517 14.770 1.00 0.00 O ATOM 90 CB PHE A 8 -39.530 -9.326 17.522 1.00 0.00 C ATOM 91 CG PHE A 8 -40.719 -8.458 17.822 1.00 0.00 C ATOM 92 CD1 PHE A 8 -40.738 -7.130 17.431 1.00 0.00 C ATOM 93 CD2 PHE A 8 -41.816 -8.972 18.493 1.00 0.00 C ATOM 94 CE1 PHE A 8 -41.830 -6.328 17.705 1.00 0.00 C ATOM 95 CE2 PHE A 8 -42.912 -8.176 18.770 1.00 0.00 C ATOM 96 CZ PHE A 8 -42.918 -6.852 18.376 1.00 0.00 C ATOM 0 H PHE A 8 -37.623 -10.806 16.133 1.00 0.00 H new ATOM 0 HA PHE A 8 -40.265 -9.619 15.522 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -39.662 -10.291 18.012 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -38.639 -8.869 17.953 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -39.890 -6.716 16.906 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -41.815 -10.006 18.803 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -41.833 -5.293 17.395 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -43.762 -8.589 19.293 1.00 0.00 H new ATOM 0 HZ PHE A 8 -43.772 -6.227 18.592 1.00 0.00 H new ATOM 106 N ALA A 9 -37.223 -8.352 15.682 1.00 0.00 N ATOM 107 CA ALA A 9 -36.371 -7.284 15.175 1.00 0.00 C ATOM 108 C ALA A 9 -35.018 -7.827 14.728 1.00 0.00 C ATOM 109 O ALA A 9 -34.245 -8.337 15.538 1.00 0.00 O ATOM 110 CB ALA A 9 -36.187 -6.209 16.234 1.00 0.00 C ATOM 0 H ALA A 9 -36.732 -9.058 16.230 1.00 0.00 H new ATOM 0 HA ALA A 9 -36.861 -6.843 14.307 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -35.548 -5.417 15.842 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -37.158 -5.793 16.502 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -35.722 -6.645 17.118 1.00 0.00 H new ATOM 116 N ASN A 10 -34.739 -7.711 13.433 1.00 0.00 N ATOM 117 CA ASN A 10 -33.478 -8.190 12.879 1.00 0.00 C ATOM 118 C ASN A 10 -32.324 -7.284 13.293 1.00 0.00 C ATOM 119 O ASN A 10 -32.301 -6.100 12.961 1.00 0.00 O ATOM 120 CB ASN A 10 -33.563 -8.263 11.353 1.00 0.00 C ATOM 121 CG ASN A 10 -34.767 -9.053 10.878 1.00 0.00 C ATOM 122 OD1 ASN A 10 -35.149 -10.052 11.487 1.00 0.00 O ATOM 123 ND2 ASN A 10 -35.372 -8.606 9.782 1.00 0.00 N ATOM 0 H ASN A 10 -35.368 -7.290 12.749 1.00 0.00 H new ATOM 0 HA ASN A 10 -33.292 -9.189 13.274 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -33.611 -7.253 10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -32.654 -8.721 10.963 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -36.187 -9.096 9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -35.021 -7.773 9.309 1.00 0.00 H new ATOM 130 N VAL A 11 -31.365 -7.850 14.020 1.00 0.00 N ATOM 131 CA VAL A 11 -30.207 -7.094 14.479 1.00 0.00 C ATOM 132 C VAL A 11 -30.627 -5.946 15.392 1.00 0.00 C ATOM 133 O VAL A 11 -31.264 -4.989 14.951 1.00 0.00 O ATOM 134 CB VAL A 11 -29.403 -6.523 13.295 1.00 0.00 C ATOM 135 CG1 VAL A 11 -28.097 -5.912 13.780 1.00 0.00 C ATOM 136 CG2 VAL A 11 -29.141 -7.603 12.257 1.00 0.00 C ATOM 0 H VAL A 11 -31.368 -8.830 14.303 1.00 0.00 H new ATOM 0 HA VAL A 11 -29.577 -7.788 15.036 1.00 0.00 H new ATOM 0 HB VAL A 11 -29.993 -5.736 12.826 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -27.543 -5.514 12.929 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -28.311 -5.107 14.483 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -27.500 -6.677 14.276 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -28.572 -7.181 11.428 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -28.572 -8.414 12.712 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -30.090 -7.989 11.886 1.00 0.00 H new ATOM 146 N GLY A 12 -30.266 -6.050 16.667 1.00 0.00 N ATOM 147 CA GLY A 12 -30.613 -5.015 17.621 1.00 0.00 C ATOM 148 C GLY A 12 -29.509 -3.988 17.791 1.00 0.00 C ATOM 149 O GLY A 12 -28.894 -3.563 16.814 1.00 0.00 O ATOM 0 H GLY A 12 -29.740 -6.833 17.056 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -31.524 -4.514 17.293 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -30.831 -5.473 18.586 1.00 0.00 H new ATOM 153 N VAL A 13 -29.258 -3.593 19.036 1.00 0.00 N ATOM 154 CA VAL A 13 -28.221 -2.611 19.330 1.00 0.00 C ATOM 155 C VAL A 13 -26.836 -3.170 19.024 1.00 0.00 C ATOM 156 O VAL A 13 -25.924 -2.429 18.657 1.00 0.00 O ATOM 157 CB VAL A 13 -28.270 -2.165 20.804 1.00 0.00 C ATOM 158 CG1 VAL A 13 -27.289 -1.030 21.054 1.00 0.00 C ATOM 159 CG2 VAL A 13 -29.683 -1.751 21.192 1.00 0.00 C ATOM 0 H VAL A 13 -29.758 -3.938 19.856 1.00 0.00 H new ATOM 0 HA VAL A 13 -28.411 -1.748 18.692 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.979 -3.010 21.427 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -27.339 -0.730 22.101 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -26.278 -1.365 20.820 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.546 -0.181 20.420 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -29.697 -1.439 22.236 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.005 -0.922 20.562 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -30.360 -2.595 21.056 1.00 0.00 H new ATOM 169 N GLY A 14 -26.684 -4.480 19.179 1.00 0.00 N ATOM 170 CA GLY A 14 -25.407 -5.116 18.915 1.00 0.00 C ATOM 171 C GLY A 14 -25.042 -5.099 17.444 1.00 0.00 C ATOM 172 O GLY A 14 -25.569 -5.887 16.657 1.00 0.00 O ATOM 0 H GLY A 14 -27.423 -5.114 19.483 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -24.628 -4.610 19.485 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -25.439 -6.147 19.266 1.00 0.00 H new ATOM 176 N THR A 15 -24.139 -4.198 17.070 1.00 0.00 N ATOM 177 CA THR A 15 -23.704 -4.082 15.682 1.00 0.00 C ATOM 178 C THR A 15 -22.481 -4.954 15.420 1.00 0.00 C ATOM 179 O THR A 15 -21.822 -5.413 16.353 1.00 0.00 O ATOM 180 CB THR A 15 -23.388 -2.623 15.348 1.00 0.00 C ATOM 181 OG1 THR A 15 -23.063 -2.482 13.975 1.00 0.00 O ATOM 182 CG2 THR A 15 -22.238 -2.059 16.153 1.00 0.00 C ATOM 0 H THR A 15 -23.694 -3.538 17.708 1.00 0.00 H new ATOM 0 HA THR A 15 -24.515 -4.427 15.041 1.00 0.00 H new ATOM 0 HB THR A 15 -24.291 -2.067 15.599 1.00 0.00 H new ATOM 0 HG1 THR A 15 -22.866 -1.542 13.780 1.00 0.00 H new ATOM 0 HG21 THR A 15 -22.067 -1.021 15.866 1.00 0.00 H new ATOM 0 HG22 THR A 15 -22.479 -2.107 17.215 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.338 -2.642 15.959 1.00 0.00 H new ATOM 190 N SER A 16 -22.183 -5.178 14.145 1.00 0.00 N ATOM 191 CA SER A 16 -21.037 -5.994 13.760 1.00 0.00 C ATOM 192 C SER A 16 -21.181 -7.417 14.290 1.00 0.00 C ATOM 193 O SER A 16 -21.047 -7.660 15.490 1.00 0.00 O ATOM 194 CB SER A 16 -19.740 -5.372 14.280 1.00 0.00 C ATOM 195 OG SER A 16 -18.634 -6.229 14.050 1.00 0.00 O ATOM 0 H SER A 16 -22.719 -4.806 13.361 1.00 0.00 H new ATOM 0 HA SER A 16 -21.000 -6.032 12.671 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.570 -4.414 13.788 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.832 -5.171 15.347 1.00 0.00 H new ATOM 0 HG SER A 16 -17.817 -5.808 14.390 1.00 0.00 H new ATOM 201 N SER A 17 -21.454 -8.355 13.388 1.00 0.00 N ATOM 202 CA SER A 17 -21.617 -9.754 13.765 1.00 0.00 C ATOM 203 C SER A 17 -20.383 -10.567 13.383 1.00 0.00 C ATOM 204 O SER A 17 -20.482 -11.751 13.062 1.00 0.00 O ATOM 205 CB SER A 17 -22.858 -10.344 13.094 1.00 0.00 C ATOM 206 OG SER A 17 -23.257 -11.549 13.728 1.00 0.00 O ATOM 0 H SER A 17 -21.567 -8.171 12.391 1.00 0.00 H new ATOM 0 HA SER A 17 -21.741 -9.801 14.847 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.674 -9.622 13.132 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.650 -10.535 12.041 1.00 0.00 H new ATOM 0 HG SER A 17 -22.491 -12.158 13.784 1.00 0.00 H new ATOM 212 N GLY A 18 -19.221 -9.923 13.422 1.00 0.00 N ATOM 213 CA GLY A 18 -17.986 -10.602 13.077 1.00 0.00 C ATOM 214 C GLY A 18 -17.213 -11.053 14.300 1.00 0.00 C ATOM 215 O GLY A 18 -17.798 -11.325 15.349 1.00 0.00 O ATOM 0 H GLY A 18 -19.113 -8.944 13.686 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.212 -11.467 12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.362 -9.935 12.482 1.00 0.00 H new ATOM 219 N LYS A 19 -15.892 -11.135 14.166 1.00 0.00 N ATOM 220 CA LYS A 19 -15.037 -11.557 15.269 1.00 0.00 C ATOM 221 C LYS A 19 -13.707 -10.810 15.244 1.00 0.00 C ATOM 222 O LYS A 19 -13.413 -10.014 16.135 1.00 0.00 O ATOM 223 CB LYS A 19 -14.789 -13.066 15.201 1.00 0.00 C ATOM 224 CG LYS A 19 -14.598 -13.712 16.562 1.00 0.00 C ATOM 225 CD LYS A 19 -15.089 -15.151 16.570 1.00 0.00 C ATOM 226 CE LYS A 19 -14.105 -16.078 15.877 1.00 0.00 C ATOM 227 NZ LYS A 19 -14.583 -17.489 15.865 1.00 0.00 N ATOM 0 H LYS A 19 -15.392 -10.915 13.305 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.548 -11.321 16.202 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.630 -13.542 14.697 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.905 -13.254 14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.543 -13.685 16.834 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.136 -13.139 17.317 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.238 -15.480 17.598 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.057 -15.209 16.073 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.947 -15.740 14.853 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.140 -16.026 16.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.883 -18.089 15.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.709 -17.821 16.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.491 -17.544 15.361 1.00 0.00 H new ATOM 241 N GLN A 20 -12.907 -11.072 14.215 1.00 0.00 N ATOM 242 CA GLN A 20 -11.608 -10.425 14.073 1.00 0.00 C ATOM 243 C GLN A 20 -11.681 -9.272 13.076 1.00 0.00 C ATOM 244 O GLN A 20 -12.520 -9.270 12.175 1.00 0.00 O ATOM 245 CB GLN A 20 -10.556 -11.439 13.621 1.00 0.00 C ATOM 246 CG GLN A 20 -10.441 -12.646 14.537 1.00 0.00 C ATOM 247 CD GLN A 20 -9.913 -12.287 15.912 1.00 0.00 C ATOM 248 OE1 GLN A 20 -10.608 -12.439 16.916 1.00 0.00 O ATOM 249 NE2 GLN A 20 -8.678 -11.801 15.963 1.00 0.00 N ATOM 0 H GLN A 20 -13.136 -11.728 13.468 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.322 -10.024 15.045 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.800 -11.779 12.615 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.587 -10.943 13.564 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.420 -13.115 14.639 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.781 -13.383 14.080 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.137 -11.692 15.105 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.270 -11.537 16.860 1.00 0.00 H new ATOM 258 N LYS A 21 -10.797 -8.294 13.245 1.00 0.00 N ATOM 259 CA LYS A 21 -10.761 -7.135 12.361 1.00 0.00 C ATOM 260 C LYS A 21 -9.602 -6.212 12.721 1.00 0.00 C ATOM 261 O LYS A 21 -9.752 -4.990 12.751 1.00 0.00 O ATOM 262 CB LYS A 21 -12.084 -6.368 12.438 1.00 0.00 C ATOM 263 CG LYS A 21 -12.278 -5.374 11.305 1.00 0.00 C ATOM 264 CD LYS A 21 -13.670 -4.767 11.331 1.00 0.00 C ATOM 265 CE LYS A 21 -13.655 -3.319 10.867 1.00 0.00 C ATOM 266 NZ LYS A 21 -13.000 -3.167 9.538 1.00 0.00 N ATOM 0 H LYS A 21 -10.096 -8.281 13.986 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.614 -7.491 11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.909 -7.081 12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.131 -5.837 13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.533 -4.582 11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.115 -5.873 10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.334 -5.348 10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.073 -4.822 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.677 -2.945 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.131 -2.708 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.187 -2.214 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.974 -3.304 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.381 -3.877 8.880 1.00 0.00 H new ATOM 280 N ARG A 22 -8.442 -6.804 12.993 1.00 0.00 N ATOM 281 CA ARG A 22 -7.258 -6.033 13.352 1.00 0.00 C ATOM 282 C ARG A 22 -5.986 -6.841 13.107 1.00 0.00 C ATOM 283 O ARG A 22 -4.991 -6.678 13.812 1.00 0.00 O ATOM 284 CB ARG A 22 -7.330 -5.602 14.819 1.00 0.00 C ATOM 285 CG ARG A 22 -7.036 -4.125 15.033 1.00 0.00 C ATOM 286 CD ARG A 22 -8.298 -3.345 15.363 1.00 0.00 C ATOM 287 NE ARG A 22 -8.053 -2.303 16.356 1.00 0.00 N ATOM 288 CZ ARG A 22 -7.928 -2.535 17.661 1.00 0.00 C ATOM 289 NH1 ARG A 22 -8.022 -3.773 18.133 1.00 0.00 N ATOM 290 NH2 ARG A 22 -7.707 -1.530 18.497 1.00 0.00 N ATOM 0 H ARG A 22 -8.298 -7.814 12.971 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.228 -5.145 12.721 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.324 -5.826 15.207 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.621 -6.193 15.398 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.315 -4.011 15.842 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.576 -3.711 14.136 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.693 -2.893 14.453 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.060 -4.029 15.736 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.973 -1.340 16.030 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.191 -4.551 17.495 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.926 -3.946 19.134 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.633 -0.577 18.141 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.612 -1.710 19.497 1.00 0.00 H new ATOM 304 N TYR A 23 -6.026 -7.711 12.102 1.00 0.00 N ATOM 305 CA TYR A 23 -4.873 -8.542 11.768 1.00 0.00 C ATOM 306 C TYR A 23 -4.305 -8.171 10.401 1.00 0.00 C ATOM 307 O TYR A 23 -3.121 -7.857 10.278 1.00 0.00 O ATOM 308 CB TYR A 23 -5.257 -10.025 11.792 1.00 0.00 C ATOM 309 CG TYR A 23 -6.560 -10.334 11.090 1.00 0.00 C ATOM 310 CD1 TYR A 23 -7.780 -10.087 11.708 1.00 0.00 C ATOM 311 CD2 TYR A 23 -6.571 -10.876 9.810 1.00 0.00 C ATOM 312 CE1 TYR A 23 -8.974 -10.371 11.070 1.00 0.00 C ATOM 313 CE2 TYR A 23 -7.760 -11.162 9.167 1.00 0.00 C ATOM 314 CZ TYR A 23 -8.957 -10.908 9.800 1.00 0.00 C ATOM 315 OH TYR A 23 -10.143 -11.191 9.162 1.00 0.00 O ATOM 0 H TYR A 23 -6.841 -7.859 11.507 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.103 -8.363 12.518 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.459 -10.604 11.327 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.327 -10.355 12.829 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.796 -9.666 12.703 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.635 -11.077 9.310 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.914 -10.173 11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.751 -11.583 8.172 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.957 -11.563 8.275 1.00 0.00 H new ATOM 325 N LYS A 24 -5.153 -8.208 9.376 1.00 0.00 N ATOM 326 CA LYS A 24 -4.730 -7.877 8.022 1.00 0.00 C ATOM 327 C LYS A 24 -5.924 -7.488 7.162 1.00 0.00 C ATOM 328 O LYS A 24 -7.042 -7.961 7.372 1.00 0.00 O ATOM 329 CB LYS A 24 -3.990 -9.060 7.394 1.00 0.00 C ATOM 330 CG LYS A 24 -3.618 -8.843 5.938 1.00 0.00 C ATOM 331 CD LYS A 24 -2.464 -9.741 5.514 1.00 0.00 C ATOM 332 CE LYS A 24 -2.926 -10.835 4.566 1.00 0.00 C ATOM 333 NZ LYS A 24 -3.720 -11.880 5.267 1.00 0.00 N ATOM 0 H LYS A 24 -6.137 -8.464 9.460 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.053 -7.024 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.083 -9.255 7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.614 -9.950 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.485 -9.041 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.343 -7.800 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.694 -9.141 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.009 -10.191 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.527 -10.395 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.059 -11.295 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.016 -12.607 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.138 -12.318 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.562 -11.446 5.697 1.00 0.00 H new ATOM 347 N PHE A 25 -5.675 -6.615 6.198 1.00 0.00 N ATOM 348 CA PHE A 25 -6.711 -6.138 5.296 1.00 0.00 C ATOM 349 C PHE A 25 -6.145 -5.091 4.355 1.00 0.00 C ATOM 350 O PHE A 25 -5.095 -4.510 4.628 1.00 0.00 O ATOM 351 CB PHE A 25 -7.888 -5.556 6.087 1.00 0.00 C ATOM 352 CG PHE A 25 -9.225 -6.073 5.642 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.856 -5.538 4.530 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.854 -7.096 6.337 1.00 0.00 C ATOM 355 CE1 PHE A 25 -11.087 -6.012 4.119 1.00 0.00 C ATOM 356 CE2 PHE A 25 -11.084 -7.574 5.930 1.00 0.00 C ATOM 357 CZ PHE A 25 -11.701 -7.032 4.819 1.00 0.00 C ATOM 0 H PHE A 25 -4.752 -6.219 6.020 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.073 -6.982 4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.753 -5.785 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.878 -4.470 5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.380 -4.741 3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.376 -7.523 7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.568 -5.585 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.563 -8.371 6.480 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.662 -7.405 4.498 1.00 0.00 H new ATOM 367 N SER A 26 -6.843 -4.837 3.255 1.00 0.00 N ATOM 368 CA SER A 26 -6.400 -3.833 2.295 1.00 0.00 C ATOM 369 C SER A 26 -6.595 -2.440 2.884 1.00 0.00 C ATOM 370 O SER A 26 -7.145 -1.548 2.237 1.00 0.00 O ATOM 371 CB SER A 26 -7.175 -3.967 0.983 1.00 0.00 C ATOM 372 OG SER A 26 -8.457 -3.371 1.085 1.00 0.00 O ATOM 0 H SER A 26 -7.712 -5.309 3.006 1.00 0.00 H new ATOM 0 HA SER A 26 -5.342 -3.988 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.614 -3.495 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.280 -5.021 0.725 1.00 0.00 H new ATOM 0 HG SER A 26 -8.359 -2.417 1.288 1.00 0.00 H new ATOM 378 N ALA A 27 -6.153 -2.277 4.129 1.00 0.00 N ATOM 379 CA ALA A 27 -6.277 -1.020 4.846 1.00 0.00 C ATOM 380 C ALA A 27 -5.974 -1.222 6.329 1.00 0.00 C ATOM 381 O ALA A 27 -5.596 -0.282 7.025 1.00 0.00 O ATOM 382 CB ALA A 27 -7.672 -0.440 4.670 1.00 0.00 C ATOM 0 H ALA A 27 -5.699 -3.016 4.665 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.554 -0.316 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.746 0.502 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.862 -0.263 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.410 -1.142 5.058 1.00 0.00 H new ATOM 388 N SER A 28 -6.143 -2.459 6.811 1.00 0.00 N ATOM 389 CA SER A 28 -5.882 -2.768 8.214 1.00 0.00 C ATOM 390 C SER A 28 -4.502 -2.273 8.632 1.00 0.00 C ATOM 391 O SER A 28 -4.350 -1.632 9.672 1.00 0.00 O ATOM 392 CB SER A 28 -5.995 -4.274 8.459 1.00 0.00 C ATOM 393 OG SER A 28 -5.377 -4.641 9.681 1.00 0.00 O ATOM 0 H SER A 28 -6.457 -3.253 6.253 1.00 0.00 H new ATOM 0 HA SER A 28 -6.630 -2.254 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.045 -4.565 8.478 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.529 -4.815 7.636 1.00 0.00 H new ATOM 0 HG SER A 28 -5.465 -5.608 9.814 1.00 0.00 H new ATOM 399 N GLU A 29 -3.505 -2.567 7.810 1.00 0.00 N ATOM 400 CA GLU A 29 -2.139 -2.144 8.089 1.00 0.00 C ATOM 401 C GLU A 29 -2.045 -0.621 8.087 1.00 0.00 C ATOM 402 O GLU A 29 -1.413 -0.023 8.961 1.00 0.00 O ATOM 403 CB GLU A 29 -1.166 -2.745 7.066 1.00 0.00 C ATOM 404 CG GLU A 29 -1.226 -2.100 5.688 1.00 0.00 C ATOM 405 CD GLU A 29 -2.519 -2.404 4.954 1.00 0.00 C ATOM 406 OE1 GLU A 29 -2.783 -3.595 4.686 1.00 0.00 O ATOM 407 OE2 GLU A 29 -3.267 -1.452 4.648 1.00 0.00 O ATOM 0 H GLU A 29 -3.615 -3.096 6.945 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.861 -2.508 9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.151 -2.655 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.376 -3.810 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.117 -1.020 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.384 -2.449 5.091 1.00 0.00 H new ATOM 414 N ASP A 30 -2.689 0.002 7.104 1.00 0.00 N ATOM 415 CA ASP A 30 -2.689 1.455 6.989 1.00 0.00 C ATOM 416 C ASP A 30 -3.306 2.088 8.228 1.00 0.00 C ATOM 417 O ASP A 30 -2.861 3.139 8.691 1.00 0.00 O ATOM 418 CB ASP A 30 -3.460 1.891 5.742 1.00 0.00 C ATOM 419 CG ASP A 30 -2.736 1.530 4.458 1.00 0.00 C ATOM 420 OD1 ASP A 30 -1.885 0.618 4.493 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.024 2.159 3.419 1.00 0.00 O ATOM 0 H ASP A 30 -3.218 -0.478 6.376 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.656 1.791 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.444 1.423 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.620 2.969 5.775 1.00 0.00 H new ATOM 426 N GLU A 31 -4.329 1.436 8.768 1.00 0.00 N ATOM 427 CA GLU A 31 -5.004 1.931 9.960 1.00 0.00 C ATOM 428 C GLU A 31 -4.090 1.824 11.173 1.00 0.00 C ATOM 429 O GLU A 31 -4.179 2.627 12.102 1.00 0.00 O ATOM 430 CB GLU A 31 -6.297 1.149 10.205 1.00 0.00 C ATOM 431 CG GLU A 31 -7.353 1.368 9.133 1.00 0.00 C ATOM 432 CD GLU A 31 -8.449 0.321 9.175 1.00 0.00 C ATOM 433 OE1 GLU A 31 -8.174 -0.810 9.628 1.00 0.00 O ATOM 434 OE2 GLU A 31 -9.583 0.633 8.755 1.00 0.00 O ATOM 0 H GLU A 31 -4.708 0.564 8.399 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.254 2.980 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.064 0.086 10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.708 1.437 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.794 2.357 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.879 1.353 8.152 1.00 0.00 H new ATOM 441 N ALA A 32 -3.203 0.836 11.154 1.00 0.00 N ATOM 442 CA ALA A 32 -2.267 0.638 12.251 1.00 0.00 C ATOM 443 C ALA A 32 -1.241 1.759 12.281 1.00 0.00 C ATOM 444 O ALA A 32 -0.869 2.246 13.349 1.00 0.00 O ATOM 445 CB ALA A 32 -1.581 -0.713 12.127 1.00 0.00 C ATOM 0 H ALA A 32 -3.113 0.162 10.393 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.823 0.655 13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.885 -0.845 12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.330 -1.505 12.153 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.036 -0.759 11.184 1.00 0.00 H new ATOM 451 N ILE A 33 -0.794 2.175 11.101 1.00 0.00 N ATOM 452 CA ILE A 33 0.181 3.253 11.002 1.00 0.00 C ATOM 453 C ILE A 33 -0.406 4.553 11.521 1.00 0.00 C ATOM 454 O ILE A 33 0.193 5.232 12.353 1.00 0.00 O ATOM 455 CB ILE A 33 0.657 3.484 9.556 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.919 2.152 8.855 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.904 4.355 9.553 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.585 2.295 7.500 1.00 0.00 C ATOM 0 H ILE A 33 -1.089 1.785 10.206 1.00 0.00 H new ATOM 0 HA ILE A 33 1.035 2.948 11.607 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.129 4.001 9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.547 1.533 9.495 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.027 1.625 8.731 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.234 4.514 8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.677 5.316 10.014 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.695 3.860 10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.739 1.308 7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.948 2.887 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.547 2.793 7.618 1.00 0.00 H new ATOM 470 N ILE A 34 -1.585 4.891 11.020 1.00 0.00 N ATOM 471 CA ILE A 34 -2.260 6.112 11.431 1.00 0.00 C ATOM 472 C ILE A 34 -2.506 6.112 12.934 1.00 0.00 C ATOM 473 O ILE A 34 -2.342 7.133 13.602 1.00 0.00 O ATOM 474 CB ILE A 34 -3.597 6.296 10.686 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.311 7.567 11.154 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.481 5.077 10.886 1.00 0.00 C ATOM 477 CD1 ILE A 34 -3.597 8.841 10.763 1.00 0.00 C ATOM 0 H ILE A 34 -2.093 4.338 10.330 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.606 6.946 11.175 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.388 6.402 9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.318 7.582 10.737 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.415 7.537 12.239 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.422 5.219 10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.975 4.193 10.498 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.681 4.943 11.949 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.160 9.700 11.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.599 8.848 11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.516 8.894 9.677 1.00 0.00 H new ATOM 489 N LYS A 35 -2.887 4.954 13.463 1.00 0.00 N ATOM 490 CA LYS A 35 -3.141 4.819 14.891 1.00 0.00 C ATOM 491 C LYS A 35 -1.829 4.864 15.663 1.00 0.00 C ATOM 492 O LYS A 35 -1.769 5.372 16.782 1.00 0.00 O ATOM 493 CB LYS A 35 -3.879 3.510 15.181 1.00 0.00 C ATOM 494 CG LYS A 35 -4.507 3.460 16.566 1.00 0.00 C ATOM 495 CD LYS A 35 -5.934 2.942 16.514 1.00 0.00 C ATOM 496 CE LYS A 35 -6.836 3.871 15.716 1.00 0.00 C ATOM 497 NZ LYS A 35 -7.814 3.117 14.884 1.00 0.00 N ATOM 0 H LYS A 35 -3.026 4.098 12.925 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.769 5.650 15.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.658 3.368 14.432 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.182 2.679 15.077 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.910 2.819 17.214 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.497 4.457 17.007 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.945 1.949 16.066 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.322 2.839 17.527 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.372 4.530 16.398 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.226 4.505 15.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.410 3.786 14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.303 2.506 14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.414 2.531 15.499 1.00 0.00 H new ATOM 511 N GLY A 36 -0.777 4.334 15.047 1.00 0.00 N ATOM 512 CA GLY A 36 0.526 4.328 15.680 1.00 0.00 C ATOM 513 C GLY A 36 1.101 5.725 15.809 1.00 0.00 C ATOM 514 O GLY A 36 1.661 6.078 16.844 1.00 0.00 O ATOM 0 H GLY A 36 -0.805 3.909 14.120 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.447 3.876 16.669 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.208 3.707 15.099 1.00 0.00 H new ATOM 518 N LEU A 37 0.956 6.519 14.755 1.00 0.00 N ATOM 519 CA LEU A 37 1.462 7.887 14.751 1.00 0.00 C ATOM 520 C LEU A 37 0.691 8.753 15.743 1.00 0.00 C ATOM 521 O LEU A 37 1.272 9.592 16.432 1.00 0.00 O ATOM 522 CB LEU A 37 1.360 8.491 13.349 1.00 0.00 C ATOM 523 CG LEU A 37 1.942 7.628 12.227 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.094 7.747 10.969 1.00 0.00 C ATOM 525 CD2 LEU A 37 3.380 8.031 11.941 1.00 0.00 C ATOM 0 H LEU A 37 0.492 6.239 13.891 1.00 0.00 H new ATOM 0 HA LEU A 37 2.509 7.859 15.051 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.310 8.686 13.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.870 9.454 13.347 1.00 0.00 H new ATOM 0 HG LEU A 37 1.933 6.587 12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.522 7.127 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.078 7.413 11.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.073 8.786 10.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.780 7.408 11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.411 9.077 11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.981 7.897 12.840 1.00 0.00 H new ATOM 537 N ALA A 38 -0.620 8.549 15.803 1.00 0.00 N ATOM 538 CA ALA A 38 -1.472 9.315 16.705 1.00 0.00 C ATOM 539 C ALA A 38 -1.271 8.902 18.162 1.00 0.00 C ATOM 540 O ALA A 38 -1.701 9.606 19.076 1.00 0.00 O ATOM 541 CB ALA A 38 -2.933 9.154 16.310 1.00 0.00 C ATOM 0 H ALA A 38 -1.116 7.860 15.238 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.188 10.364 16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.560 9.730 16.991 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.076 9.515 15.291 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.211 8.101 16.365 1.00 0.00 H new ATOM 547 N ARG A 39 -0.623 7.760 18.377 1.00 0.00 N ATOM 548 CA ARG A 39 -0.384 7.267 19.732 1.00 0.00 C ATOM 549 C ARG A 39 1.100 7.298 20.089 1.00 0.00 C ATOM 550 O ARG A 39 1.460 7.301 21.266 1.00 0.00 O ATOM 551 CB ARG A 39 -0.925 5.844 19.879 1.00 0.00 C ATOM 552 CG ARG A 39 -2.402 5.788 20.233 1.00 0.00 C ATOM 553 CD ARG A 39 -2.614 5.689 21.735 1.00 0.00 C ATOM 554 NE ARG A 39 -3.634 4.702 22.080 1.00 0.00 N ATOM 555 CZ ARG A 39 -4.209 4.618 23.277 1.00 0.00 C ATOM 556 NH1 ARG A 39 -3.869 5.459 24.245 1.00 0.00 N ATOM 557 NH2 ARG A 39 -5.128 3.689 23.507 1.00 0.00 N ATOM 0 H ARG A 39 -0.256 7.162 17.637 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.909 7.928 20.421 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.763 5.304 18.946 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.355 5.325 20.650 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.902 6.679 19.852 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.862 4.930 19.743 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.674 5.422 22.217 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.906 6.664 22.125 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.922 4.038 21.361 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.163 6.175 24.074 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.313 5.389 25.160 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.393 3.040 22.766 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.569 3.624 24.424 1.00 0.00 H new ATOM 571 N PHE A 40 1.960 7.314 19.076 1.00 0.00 N ATOM 572 CA PHE A 40 3.401 7.337 19.303 1.00 0.00 C ATOM 573 C PHE A 40 3.922 8.772 19.377 1.00 0.00 C ATOM 574 O PHE A 40 4.012 9.351 20.461 1.00 0.00 O ATOM 575 CB PHE A 40 4.127 6.565 18.199 1.00 0.00 C ATOM 576 CG PHE A 40 4.075 5.072 18.371 1.00 0.00 C ATOM 577 CD1 PHE A 40 2.882 4.434 18.675 1.00 0.00 C ATOM 578 CD2 PHE A 40 5.220 4.306 18.228 1.00 0.00 C ATOM 579 CE1 PHE A 40 2.834 3.063 18.832 1.00 0.00 C ATOM 580 CE2 PHE A 40 5.179 2.934 18.385 1.00 0.00 C ATOM 581 CZ PHE A 40 3.984 2.312 18.687 1.00 0.00 C ATOM 0 H PHE A 40 1.686 7.311 18.093 1.00 0.00 H new ATOM 0 HA PHE A 40 3.600 6.854 20.260 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.688 6.826 17.236 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.169 6.883 18.171 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.980 5.016 18.790 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.157 4.787 17.991 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.898 2.578 19.068 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.080 2.349 18.272 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.949 1.240 18.810 1.00 0.00 H new ATOM 591 N THR A 41 4.265 9.343 18.224 1.00 0.00 N ATOM 592 CA THR A 41 4.778 10.708 18.160 1.00 0.00 C ATOM 593 C THR A 41 5.847 10.950 19.224 1.00 0.00 C ATOM 594 O THR A 41 5.849 11.984 19.893 1.00 0.00 O ATOM 595 CB THR A 41 3.634 11.708 18.327 1.00 0.00 C ATOM 596 OG1 THR A 41 2.680 11.231 19.260 1.00 0.00 O ATOM 597 CG2 THR A 41 2.907 12.004 17.034 1.00 0.00 C ATOM 0 H THR A 41 4.196 8.878 17.319 1.00 0.00 H new ATOM 0 HA THR A 41 5.238 10.849 17.182 1.00 0.00 H new ATOM 0 HB THR A 41 4.102 12.627 18.680 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.128 11.014 20.104 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.107 12.720 17.222 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.607 12.423 16.311 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.482 11.082 16.636 1.00 0.00 H new ATOM 605 N LYS A 42 6.753 9.989 19.373 1.00 0.00 N ATOM 606 CA LYS A 42 7.826 10.094 20.353 1.00 0.00 C ATOM 607 C LYS A 42 9.109 10.609 19.707 1.00 0.00 C ATOM 608 O LYS A 42 10.206 10.155 20.033 1.00 0.00 O ATOM 609 CB LYS A 42 8.081 8.734 21.007 1.00 0.00 C ATOM 610 CG LYS A 42 6.905 8.222 21.824 1.00 0.00 C ATOM 611 CD LYS A 42 7.221 8.207 23.311 1.00 0.00 C ATOM 612 CE LYS A 42 7.269 9.614 23.885 1.00 0.00 C ATOM 613 NZ LYS A 42 8.664 10.124 23.989 1.00 0.00 N ATOM 0 H LYS A 42 6.765 9.128 18.826 1.00 0.00 H new ATOM 0 HA LYS A 42 7.516 10.807 21.117 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.318 8.006 20.231 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.956 8.809 21.653 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.034 8.852 21.643 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.644 7.215 21.497 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.466 7.623 23.838 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.179 7.713 23.476 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.684 10.283 23.255 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.806 9.620 24.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.694 10.919 24.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.288 9.363 24.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.986 10.447 23.054 1.00 0.00 H new ATOM 627 N GLY A 43 8.964 11.560 18.790 1.00 0.00 N ATOM 628 CA GLY A 43 10.120 12.120 18.114 1.00 0.00 C ATOM 629 C GLY A 43 9.748 12.852 16.839 1.00 0.00 C ATOM 630 O GLY A 43 8.575 13.139 16.600 1.00 0.00 O ATOM 0 H GLY A 43 8.067 11.953 18.503 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.633 12.807 18.787 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.822 11.320 17.878 1.00 0.00 H new ATOM 634 N GLN A 44 10.750 13.153 16.020 1.00 0.00 N ATOM 635 CA GLN A 44 10.523 13.857 14.763 1.00 0.00 C ATOM 636 C GLN A 44 10.598 12.895 13.580 1.00 0.00 C ATOM 637 O GLN A 44 11.106 13.244 12.514 1.00 0.00 O ATOM 638 CB GLN A 44 11.548 14.978 14.588 1.00 0.00 C ATOM 639 CG GLN A 44 11.624 15.922 15.777 1.00 0.00 C ATOM 640 CD GLN A 44 10.326 16.670 16.010 1.00 0.00 C ATOM 641 OE1 GLN A 44 9.283 16.064 16.258 1.00 0.00 O ATOM 642 NE2 GLN A 44 10.383 17.995 15.932 1.00 0.00 N ATOM 0 H GLN A 44 11.726 12.921 16.204 1.00 0.00 H new ATOM 0 HA GLN A 44 9.523 14.291 14.794 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.531 14.538 14.421 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.299 15.551 13.695 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.878 15.354 16.672 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.429 16.639 15.616 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.269 18.456 15.724 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.541 18.551 16.080 1.00 0.00 H new ATOM 651 N GLN A 45 10.087 11.684 13.774 1.00 0.00 N ATOM 652 CA GLN A 45 10.098 10.674 12.723 1.00 0.00 C ATOM 653 C GLN A 45 9.228 9.479 13.107 1.00 0.00 C ATOM 654 O GLN A 45 9.604 8.327 12.885 1.00 0.00 O ATOM 655 CB GLN A 45 11.531 10.214 12.444 1.00 0.00 C ATOM 656 CG GLN A 45 11.903 10.242 10.972 1.00 0.00 C ATOM 657 CD GLN A 45 13.400 10.343 10.750 1.00 0.00 C ATOM 658 OE1 GLN A 45 13.991 9.525 10.044 1.00 0.00 O ATOM 659 NE2 GLN A 45 14.022 11.347 11.356 1.00 0.00 N ATOM 0 H GLN A 45 9.660 11.378 14.649 1.00 0.00 H new ATOM 0 HA GLN A 45 9.687 11.121 11.818 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.222 10.850 12.997 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.658 9.200 12.823 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.528 9.340 10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.411 11.088 10.493 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.493 12.002 11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.029 11.464 11.246 1.00 0.00 H new ATOM 668 N ARG A 46 8.063 9.762 13.684 1.00 0.00 N ATOM 669 CA ARG A 46 7.137 8.712 14.099 1.00 0.00 C ATOM 670 C ARG A 46 6.782 7.797 12.930 1.00 0.00 C ATOM 671 O ARG A 46 6.430 6.634 13.125 1.00 0.00 O ATOM 672 CB ARG A 46 5.866 9.329 14.683 1.00 0.00 C ATOM 673 CG ARG A 46 5.056 10.126 13.673 1.00 0.00 C ATOM 674 CD ARG A 46 5.505 11.577 13.619 1.00 0.00 C ATOM 675 NE ARG A 46 4.409 12.477 13.270 1.00 0.00 N ATOM 676 CZ ARG A 46 4.581 13.703 12.781 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.804 14.181 12.585 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.528 14.453 12.489 1.00 0.00 N ATOM 0 H ARG A 46 7.738 10.710 13.875 1.00 0.00 H new ATOM 0 HA ARG A 46 7.630 8.112 14.865 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.241 8.535 15.091 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.137 9.980 15.514 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.159 9.675 12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.999 10.081 13.936 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.917 11.865 14.586 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.306 11.681 12.888 1.00 0.00 H new ATOM 0 HE ARG A 46 3.454 12.146 13.409 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.618 13.608 12.809 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.930 15.121 12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.586 14.091 12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.659 15.393 12.114 1.00 0.00 H new ATOM 692 N PHE A 47 6.875 8.329 11.714 1.00 0.00 N ATOM 693 CA PHE A 47 6.560 7.558 10.517 1.00 0.00 C ATOM 694 C PHE A 47 7.472 6.341 10.396 1.00 0.00 C ATOM 695 O PHE A 47 7.007 5.221 10.183 1.00 0.00 O ATOM 696 CB PHE A 47 6.692 8.437 9.272 1.00 0.00 C ATOM 697 CG PHE A 47 5.833 9.669 9.314 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.452 9.567 9.297 1.00 0.00 C ATOM 699 CD2 PHE A 47 6.408 10.928 9.372 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.658 10.698 9.337 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.620 12.063 9.413 1.00 0.00 C ATOM 702 CZ PHE A 47 4.244 11.948 9.395 1.00 0.00 C ATOM 0 H PHE A 47 7.166 9.290 11.533 1.00 0.00 H new ATOM 0 HA PHE A 47 5.531 7.209 10.600 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.734 8.734 9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.428 7.850 8.393 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.990 8.592 9.252 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.484 11.024 9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.582 10.605 9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.080 13.039 9.459 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.627 12.834 9.426 1.00 0.00 H new ATOM 712 N GLN A 48 8.773 6.564 10.532 1.00 0.00 N ATOM 713 CA GLN A 48 9.741 5.479 10.438 1.00 0.00 C ATOM 714 C GLN A 48 9.639 4.557 11.650 1.00 0.00 C ATOM 715 O GLN A 48 9.647 3.334 11.512 1.00 0.00 O ATOM 716 CB GLN A 48 11.160 6.041 10.318 1.00 0.00 C ATOM 717 CG GLN A 48 11.927 5.502 9.122 1.00 0.00 C ATOM 718 CD GLN A 48 13.405 5.327 9.409 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.791 4.574 10.302 1.00 0.00 O ATOM 720 NE2 GLN A 48 14.241 6.026 8.650 1.00 0.00 N ATOM 0 H GLN A 48 9.181 7.482 10.707 1.00 0.00 H new ATOM 0 HA GLN A 48 9.517 4.897 9.544 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.107 7.127 10.246 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.712 5.809 11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.502 4.543 8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.802 6.181 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.877 6.639 7.920 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.248 5.950 8.797 1.00 0.00 H new ATOM 729 N GLN A 49 9.546 5.151 12.837 1.00 0.00 N ATOM 730 CA GLN A 49 9.444 4.379 14.070 1.00 0.00 C ATOM 731 C GLN A 49 8.223 3.466 14.038 1.00 0.00 C ATOM 732 O GLN A 49 8.326 2.263 14.292 1.00 0.00 O ATOM 733 CB GLN A 49 9.364 5.316 15.276 1.00 0.00 C ATOM 734 CG GLN A 49 10.669 6.036 15.573 1.00 0.00 C ATOM 735 CD GLN A 49 11.342 5.533 16.836 1.00 0.00 C ATOM 736 OE1 GLN A 49 12.361 4.846 16.779 1.00 0.00 O ATOM 737 NE2 GLN A 49 10.770 5.873 17.985 1.00 0.00 N ATOM 0 H GLN A 49 9.539 6.162 12.970 1.00 0.00 H new ATOM 0 HA GLN A 49 10.337 3.760 14.159 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.582 6.055 15.100 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.068 4.741 16.153 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.348 5.910 14.730 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.476 7.104 15.670 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.925 6.445 17.985 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.175 5.563 18.868 1.00 0.00 H new ATOM 746 N ILE A 50 7.068 4.038 13.711 1.00 0.00 N ATOM 747 CA ILE A 50 5.836 3.265 13.635 1.00 0.00 C ATOM 748 C ILE A 50 5.969 2.157 12.596 1.00 0.00 C ATOM 749 O ILE A 50 5.475 1.046 12.788 1.00 0.00 O ATOM 750 CB ILE A 50 4.613 4.161 13.317 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.336 3.524 13.864 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.482 4.415 11.821 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.029 2.168 13.267 1.00 0.00 C ATOM 0 H ILE A 50 6.961 5.029 13.496 1.00 0.00 H new ATOM 0 HA ILE A 50 5.667 2.816 14.614 1.00 0.00 H new ATOM 0 HB ILE A 50 4.767 5.124 13.804 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.425 3.423 14.946 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.497 4.193 13.674 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.614 5.047 11.634 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.380 4.915 11.457 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.359 3.465 11.300 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.109 1.778 13.703 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.907 2.265 12.188 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.850 1.483 13.479 1.00 0.00 H new ATOM 765 N TYR A 51 6.655 2.469 11.498 1.00 0.00 N ATOM 766 CA TYR A 51 6.875 1.502 10.430 1.00 0.00 C ATOM 767 C TYR A 51 7.480 0.220 10.990 1.00 0.00 C ATOM 768 O TYR A 51 6.964 -0.878 10.773 1.00 0.00 O ATOM 769 CB TYR A 51 7.798 2.095 9.363 1.00 0.00 C ATOM 770 CG TYR A 51 7.914 1.250 8.114 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.926 1.278 7.138 1.00 0.00 C ATOM 772 CD2 TYR A 51 9.015 0.427 7.909 1.00 0.00 C ATOM 773 CE1 TYR A 51 7.031 0.510 5.994 1.00 0.00 C ATOM 774 CE2 TYR A 51 9.128 -0.343 6.766 1.00 0.00 C ATOM 775 CZ TYR A 51 8.133 -0.297 5.813 1.00 0.00 C ATOM 776 OH TYR A 51 8.240 -1.062 4.671 1.00 0.00 O ATOM 0 H TYR A 51 7.068 3.386 11.327 1.00 0.00 H new ATOM 0 HA TYR A 51 5.914 1.264 9.974 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.431 3.084 9.088 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.791 2.231 9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.061 1.910 7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.795 0.388 8.655 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.253 0.542 5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.991 -0.977 6.621 1.00 0.00 H new ATOM 0 HH TYR A 51 7.373 -1.092 4.215 1.00 0.00 H new ATOM 786 N TYR A 52 8.573 0.377 11.723 1.00 0.00 N ATOM 787 CA TYR A 52 9.254 -0.759 12.332 1.00 0.00 C ATOM 788 C TYR A 52 8.375 -1.402 13.398 1.00 0.00 C ATOM 789 O TYR A 52 8.509 -2.588 13.693 1.00 0.00 O ATOM 790 CB TYR A 52 10.584 -0.318 12.946 1.00 0.00 C ATOM 791 CG TYR A 52 11.714 -0.225 11.943 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.840 0.880 11.111 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.654 -1.241 11.832 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.870 0.969 10.194 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.688 -1.159 10.917 1.00 0.00 C ATOM 796 CZ TYR A 52 13.792 -0.052 10.102 1.00 0.00 C ATOM 797 OH TYR A 52 14.819 0.033 9.190 1.00 0.00 O ATOM 0 H TYR A 52 9.008 1.280 11.911 1.00 0.00 H new ATOM 0 HA TYR A 52 9.453 -1.495 11.553 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.451 0.654 13.421 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.863 -1.021 13.731 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.121 1.683 11.182 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.577 -2.109 12.470 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.952 1.834 9.553 1.00 0.00 H new ATOM 0 HE2 TYR A 52 14.410 -1.958 10.841 1.00 0.00 H new ATOM 0 HH TYR A 52 15.380 -0.768 9.254 1.00 0.00 H new ATOM 807 N ALA A 53 7.471 -0.614 13.970 1.00 0.00 N ATOM 808 CA ALA A 53 6.570 -1.115 14.997 1.00 0.00 C ATOM 809 C ALA A 53 5.553 -2.081 14.402 1.00 0.00 C ATOM 810 O ALA A 53 5.375 -3.196 14.894 1.00 0.00 O ATOM 811 CB ALA A 53 5.863 0.040 15.688 1.00 0.00 C ATOM 0 H ALA A 53 7.344 0.371 13.739 1.00 0.00 H new ATOM 0 HA ALA A 53 7.161 -1.656 15.736 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.192 -0.350 16.454 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.602 0.694 16.151 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.287 0.605 14.955 1.00 0.00 H new ATOM 817 N TYR A 54 4.885 -1.643 13.340 1.00 0.00 N ATOM 818 CA TYR A 54 3.880 -2.464 12.672 1.00 0.00 C ATOM 819 C TYR A 54 4.513 -3.520 11.759 1.00 0.00 C ATOM 820 O TYR A 54 3.806 -4.238 11.052 1.00 0.00 O ATOM 821 CB TYR A 54 2.898 -1.577 11.891 1.00 0.00 C ATOM 822 CG TYR A 54 3.252 -1.362 10.433 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.870 -2.282 9.464 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.959 -0.239 10.025 1.00 0.00 C ATOM 825 CE1 TYR A 54 3.182 -2.089 8.132 1.00 0.00 C ATOM 826 CE2 TYR A 54 4.275 -0.039 8.694 1.00 0.00 C ATOM 827 CZ TYR A 54 3.886 -0.967 7.752 1.00 0.00 C ATOM 828 OH TYR A 54 4.199 -0.770 6.427 1.00 0.00 O ATOM 0 H TYR A 54 5.021 -0.722 12.922 1.00 0.00 H new ATOM 0 HA TYR A 54 3.328 -3.002 13.443 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.905 -2.023 11.947 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.839 -0.606 12.382 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.319 -3.164 9.757 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.267 0.490 10.759 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.876 -2.814 7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.824 0.841 8.394 1.00 0.00 H new ATOM 0 HH TYR A 54 5.084 -0.354 6.358 1.00 0.00 H new ATOM 838 N ARG A 55 5.843 -3.623 11.773 1.00 0.00 N ATOM 839 CA ARG A 55 6.540 -4.600 10.937 1.00 0.00 C ATOM 840 C ARG A 55 5.981 -6.009 11.147 1.00 0.00 C ATOM 841 O ARG A 55 6.119 -6.874 10.282 1.00 0.00 O ATOM 842 CB ARG A 55 8.039 -4.596 11.253 1.00 0.00 C ATOM 843 CG ARG A 55 8.877 -3.792 10.269 1.00 0.00 C ATOM 844 CD ARG A 55 9.582 -4.691 9.265 1.00 0.00 C ATOM 845 NE ARG A 55 11.037 -4.640 9.411 1.00 0.00 N ATOM 846 CZ ARG A 55 11.734 -5.432 10.224 1.00 0.00 C ATOM 847 NH1 ARG A 55 11.120 -6.335 10.977 1.00 0.00 N ATOM 848 NH2 ARG A 55 13.055 -5.317 10.286 1.00 0.00 N ATOM 0 H ARG A 55 6.455 -3.046 12.350 1.00 0.00 H new ATOM 0 HA ARG A 55 6.385 -4.316 9.896 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.188 -4.193 12.255 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.400 -5.624 11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.238 -3.086 9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.616 -3.206 10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.240 -5.718 9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.308 -4.390 8.254 1.00 0.00 H new ATOM 0 HE ARG A 55 11.550 -3.955 8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.105 -6.428 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.663 -6.937 11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.534 -4.623 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.591 -5.922 10.908 1.00 0.00 H new ATOM 862 N SER A 56 5.361 -6.237 12.303 1.00 0.00 N ATOM 863 CA SER A 56 4.794 -7.544 12.621 1.00 0.00 C ATOM 864 C SER A 56 3.453 -7.760 11.924 1.00 0.00 C ATOM 865 O SER A 56 3.296 -8.700 11.143 1.00 0.00 O ATOM 866 CB SER A 56 4.620 -7.689 14.135 1.00 0.00 C ATOM 867 OG SER A 56 3.652 -6.776 14.625 1.00 0.00 O ATOM 0 H SER A 56 5.239 -5.535 13.033 1.00 0.00 H new ATOM 0 HA SER A 56 5.488 -8.302 12.259 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.317 -8.709 14.374 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.574 -7.515 14.633 1.00 0.00 H new ATOM 0 HG SER A 56 3.557 -6.889 15.594 1.00 0.00 H new ATOM 873 N VAL A 57 2.486 -6.895 12.217 1.00 0.00 N ATOM 874 CA VAL A 57 1.152 -7.002 11.625 1.00 0.00 C ATOM 875 C VAL A 57 1.220 -7.207 10.111 1.00 0.00 C ATOM 876 O VAL A 57 0.359 -7.864 9.527 1.00 0.00 O ATOM 877 CB VAL A 57 0.298 -5.755 11.933 1.00 0.00 C ATOM 878 CG1 VAL A 57 0.924 -4.507 11.330 1.00 0.00 C ATOM 879 CG2 VAL A 57 -1.125 -5.944 11.428 1.00 0.00 C ATOM 0 H VAL A 57 2.599 -6.112 12.860 1.00 0.00 H new ATOM 0 HA VAL A 57 0.682 -7.876 12.076 1.00 0.00 H new ATOM 0 HB VAL A 57 0.263 -5.624 13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.304 -3.641 11.561 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.920 -4.361 11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.998 -4.623 10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.713 -5.054 11.654 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.110 -6.105 10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.573 -6.809 11.918 1.00 0.00 H new ATOM 889 N TRP A 58 2.247 -6.642 9.484 1.00 0.00 N ATOM 890 CA TRP A 58 2.422 -6.768 8.041 1.00 0.00 C ATOM 891 C TRP A 58 3.700 -7.542 7.720 1.00 0.00 C ATOM 892 O TRP A 58 4.219 -8.268 8.567 1.00 0.00 O ATOM 893 CB TRP A 58 2.457 -5.381 7.390 1.00 0.00 C ATOM 894 CG TRP A 58 1.725 -5.313 6.082 1.00 0.00 C ATOM 895 CD1 TRP A 58 0.697 -6.113 5.672 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.968 -4.391 5.014 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.288 -5.745 4.413 1.00 0.00 N ATOM 898 CE2 TRP A 58 1.052 -4.690 3.988 1.00 0.00 C ATOM 899 CE3 TRP A 58 2.871 -3.341 4.824 1.00 0.00 C ATOM 900 CZ2 TRP A 58 1.014 -3.978 2.791 1.00 0.00 C ATOM 901 CZ3 TRP A 58 2.831 -2.634 3.637 1.00 0.00 C ATOM 902 CH2 TRP A 58 1.909 -2.955 2.634 1.00 0.00 C ATOM 0 H TRP A 58 2.969 -6.094 9.951 1.00 0.00 H new ATOM 0 HA TRP A 58 1.576 -7.323 7.636 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.023 -4.655 8.078 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.495 -5.089 7.231 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.268 -6.917 6.252 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.463 -6.186 3.881 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.587 -3.087 5.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.304 -4.225 2.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.523 -1.820 3.481 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.904 -2.384 1.718 1.00 0.00 H new ATOM 913 N HIS A 59 4.206 -7.386 6.497 1.00 0.00 N ATOM 914 CA HIS A 59 5.423 -8.078 6.087 1.00 0.00 C ATOM 915 C HIS A 59 6.405 -7.131 5.394 1.00 0.00 C ATOM 916 O HIS A 59 6.836 -7.388 4.269 1.00 0.00 O ATOM 917 CB HIS A 59 5.077 -9.240 5.153 1.00 0.00 C ATOM 918 CG HIS A 59 4.292 -10.330 5.815 1.00 0.00 C ATOM 919 ND1 HIS A 59 3.038 -10.134 6.355 1.00 0.00 N ATOM 920 CD2 HIS A 59 4.588 -11.635 6.023 1.00 0.00 C ATOM 921 CE1 HIS A 59 2.598 -11.270 6.866 1.00 0.00 C ATOM 922 NE2 HIS A 59 3.520 -12.195 6.677 1.00 0.00 N ATOM 0 H HIS A 59 3.794 -6.790 5.779 1.00 0.00 H new ATOM 0 HA HIS A 59 5.904 -8.462 6.986 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.508 -8.857 4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.000 -9.660 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.496 -12.141 5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.646 -11.417 7.355 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.450 -13.169 6.970 1.00 0.00 H new ATOM 931 N PRO A 60 6.781 -6.018 6.054 1.00 0.00 N ATOM 932 CA PRO A 60 7.712 -5.048 5.499 1.00 0.00 C ATOM 933 C PRO A 60 9.156 -5.339 5.901 1.00 0.00 C ATOM 934 O PRO A 60 9.468 -6.428 6.379 1.00 0.00 O ATOM 935 CB PRO A 60 7.229 -3.746 6.127 1.00 0.00 C ATOM 936 CG PRO A 60 6.686 -4.139 7.464 1.00 0.00 C ATOM 937 CD PRO A 60 6.334 -5.610 7.396 1.00 0.00 C ATOM 0 HA PRO A 60 7.724 -5.045 4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.045 -3.030 6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.463 -3.272 5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.423 -3.957 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.806 -3.545 7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.840 -6.179 8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.264 -5.772 7.527 1.00 0.00 H new ATOM 945 N ALA A 61 10.030 -4.358 5.708 1.00 0.00 N ATOM 946 CA ALA A 61 11.438 -4.508 6.054 1.00 0.00 C ATOM 947 C ALA A 61 12.107 -3.147 6.226 1.00 0.00 C ATOM 948 O ALA A 61 12.502 -2.773 7.330 1.00 0.00 O ATOM 949 CB ALA A 61 12.159 -5.322 4.991 1.00 0.00 C ATOM 0 H ALA A 61 9.788 -3.449 5.313 1.00 0.00 H new ATOM 0 HA ALA A 61 11.500 -5.038 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.209 -5.426 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.704 -6.310 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.081 -4.815 4.029 1.00 0.00 H new ATOM 955 N ARG A 62 12.224 -2.413 5.126 1.00 0.00 N ATOM 956 CA ARG A 62 12.837 -1.090 5.147 1.00 0.00 C ATOM 957 C ARG A 62 12.308 -0.241 3.995 1.00 0.00 C ATOM 958 O ARG A 62 13.077 0.362 3.247 1.00 0.00 O ATOM 959 CB ARG A 62 14.360 -1.206 5.062 1.00 0.00 C ATOM 960 CG ARG A 62 14.842 -2.046 3.890 1.00 0.00 C ATOM 961 CD ARG A 62 16.350 -2.230 3.919 1.00 0.00 C ATOM 962 NE ARG A 62 16.901 -2.452 2.585 1.00 0.00 N ATOM 963 CZ ARG A 62 16.884 -1.540 1.615 1.00 0.00 C ATOM 964 NH1 ARG A 62 16.345 -0.346 1.829 1.00 0.00 N ATOM 965 NH2 ARG A 62 17.407 -1.824 0.431 1.00 0.00 N ATOM 0 H ARG A 62 11.902 -2.712 4.206 1.00 0.00 H new ATOM 0 HA ARG A 62 12.577 -0.604 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.788 -0.207 4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.735 -1.641 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.355 -3.021 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.551 -1.568 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.814 -1.348 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.600 -3.076 4.559 1.00 0.00 H new ATOM 0 HE ARG A 62 17.324 -3.358 2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.942 -0.124 2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.334 0.350 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.822 -2.741 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.394 -1.126 -0.313 1.00 0.00 H new ATOM 979 N THR A 63 10.988 -0.212 3.858 1.00 0.00 N ATOM 980 CA THR A 63 10.340 0.550 2.796 1.00 0.00 C ATOM 981 C THR A 63 9.634 1.780 3.350 1.00 0.00 C ATOM 982 O THR A 63 8.409 1.893 3.273 1.00 0.00 O ATOM 983 CB THR A 63 9.347 -0.341 2.049 1.00 0.00 C ATOM 984 OG1 THR A 63 9.764 -1.694 2.085 1.00 0.00 O ATOM 985 CG2 THR A 63 9.170 0.046 0.596 1.00 0.00 C ATOM 0 H THR A 63 10.342 -0.709 4.471 1.00 0.00 H new ATOM 0 HA THR A 63 11.109 0.892 2.103 1.00 0.00 H new ATOM 0 HB THR A 63 8.395 -0.206 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.456 -2.109 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.453 -0.626 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.802 1.070 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.128 -0.027 0.081 1.00 0.00 H new ATOM 993 N VAL A 64 10.413 2.713 3.894 1.00 0.00 N ATOM 994 CA VAL A 64 9.849 3.943 4.434 1.00 0.00 C ATOM 995 C VAL A 64 9.046 4.658 3.355 1.00 0.00 C ATOM 996 O VAL A 64 8.024 5.286 3.633 1.00 0.00 O ATOM 997 CB VAL A 64 10.945 4.881 4.983 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.368 6.244 5.345 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.622 4.250 6.188 1.00 0.00 C ATOM 0 H VAL A 64 11.427 2.640 3.971 1.00 0.00 H new ATOM 0 HA VAL A 64 9.195 3.676 5.264 1.00 0.00 H new ATOM 0 HB VAL A 64 11.690 5.030 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.162 6.885 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.930 6.701 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.599 6.123 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.393 4.922 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.883 4.071 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.077 3.304 5.896 1.00 0.00 H new ATOM 1009 N SER A 65 9.501 4.529 2.111 1.00 0.00 N ATOM 1010 CA SER A 65 8.805 5.133 0.987 1.00 0.00 C ATOM 1011 C SER A 65 7.402 4.557 0.904 1.00 0.00 C ATOM 1012 O SER A 65 6.428 5.274 0.666 1.00 0.00 O ATOM 1013 CB SER A 65 9.562 4.876 -0.319 1.00 0.00 C ATOM 1014 OG SER A 65 8.782 5.247 -1.442 1.00 0.00 O ATOM 0 H SER A 65 10.345 4.014 1.861 1.00 0.00 H new ATOM 0 HA SER A 65 8.750 6.211 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.495 5.439 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.826 3.821 -0.388 1.00 0.00 H new ATOM 0 HG SER A 65 9.288 5.075 -2.263 1.00 0.00 H new ATOM 1020 N GLN A 66 7.304 3.252 1.140 1.00 0.00 N ATOM 1021 CA GLN A 66 6.013 2.581 1.125 1.00 0.00 C ATOM 1022 C GLN A 66 5.133 3.147 2.230 1.00 0.00 C ATOM 1023 O GLN A 66 3.929 3.332 2.048 1.00 0.00 O ATOM 1024 CB GLN A 66 6.187 1.073 1.307 1.00 0.00 C ATOM 1025 CG GLN A 66 6.068 0.285 0.011 1.00 0.00 C ATOM 1026 CD GLN A 66 4.644 0.221 -0.503 1.00 0.00 C ATOM 1027 OE1 GLN A 66 4.242 1.012 -1.357 1.00 0.00 O ATOM 1028 NE2 GLN A 66 3.869 -0.725 0.016 1.00 0.00 N ATOM 0 H GLN A 66 8.098 2.644 1.342 1.00 0.00 H new ATOM 0 HA GLN A 66 5.536 2.754 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.163 0.879 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.438 0.712 2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.704 0.742 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.439 -0.728 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.242 -1.360 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.901 -0.816 -0.291 1.00 0.00 H new ATOM 1037 N LEU A 67 5.752 3.443 3.371 1.00 0.00 N ATOM 1038 CA LEU A 67 5.038 4.016 4.506 1.00 0.00 C ATOM 1039 C LEU A 67 4.295 5.264 4.064 1.00 0.00 C ATOM 1040 O LEU A 67 3.101 5.418 4.321 1.00 0.00 O ATOM 1041 CB LEU A 67 6.014 4.357 5.637 1.00 0.00 C ATOM 1042 CG LEU A 67 5.367 4.756 6.966 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.707 6.120 6.852 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.359 3.706 7.408 1.00 0.00 C ATOM 0 H LEU A 67 6.748 3.295 3.532 1.00 0.00 H new ATOM 0 HA LEU A 67 4.322 3.284 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.658 3.495 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.656 5.173 5.306 1.00 0.00 H new ATOM 0 HG LEU A 67 6.149 4.818 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.253 6.385 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.456 6.866 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.938 6.089 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.910 4.008 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.580 3.608 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.863 2.748 7.535 1.00 0.00 H new ATOM 1056 N TYR A 68 5.010 6.138 3.373 1.00 0.00 N ATOM 1057 CA TYR A 68 4.422 7.363 2.861 1.00 0.00 C ATOM 1058 C TYR A 68 3.340 7.027 1.842 1.00 0.00 C ATOM 1059 O TYR A 68 2.381 7.777 1.665 1.00 0.00 O ATOM 1060 CB TYR A 68 5.496 8.246 2.224 1.00 0.00 C ATOM 1061 CG TYR A 68 6.315 9.030 3.227 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.634 8.492 4.469 1.00 0.00 C ATOM 1063 CD2 TYR A 68 6.772 10.308 2.931 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.382 9.206 5.385 1.00 0.00 C ATOM 1065 CE2 TYR A 68 7.522 11.028 3.842 1.00 0.00 C ATOM 1066 CZ TYR A 68 7.824 10.473 5.067 1.00 0.00 C ATOM 1067 OH TYR A 68 8.570 11.187 5.977 1.00 0.00 O ATOM 0 H TYR A 68 5.999 6.020 3.154 1.00 0.00 H new ATOM 0 HA TYR A 68 3.973 7.913 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.164 7.620 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.019 8.943 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.291 7.499 4.722 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.537 10.747 1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.620 8.774 6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.870 12.020 3.595 1.00 0.00 H new ATOM 0 HH TYR A 68 8.802 12.060 5.597 1.00 0.00 H new ATOM 1077 N ASP A 69 3.504 5.885 1.173 1.00 0.00 N ATOM 1078 CA ASP A 69 2.542 5.443 0.173 1.00 0.00 C ATOM 1079 C ASP A 69 1.201 5.106 0.813 1.00 0.00 C ATOM 1080 O ASP A 69 0.157 5.578 0.364 1.00 0.00 O ATOM 1081 CB ASP A 69 3.082 4.233 -0.591 1.00 0.00 C ATOM 1082 CG ASP A 69 2.808 4.319 -2.080 1.00 0.00 C ATOM 1083 OD1 ASP A 69 1.696 4.749 -2.455 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.704 3.958 -2.871 1.00 0.00 O ATOM 0 H ASP A 69 4.293 5.253 1.308 1.00 0.00 H new ATOM 0 HA ASP A 69 2.388 6.262 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.157 4.153 -0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.630 3.324 -0.193 1.00 0.00 H new ATOM 1089 N HIS A 70 1.228 4.306 1.873 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.007 3.945 2.567 1.00 0.00 C ATOM 1091 C HIS A 70 -0.463 5.111 3.428 1.00 0.00 C ATOM 1092 O HIS A 70 -1.659 5.317 3.638 1.00 0.00 O ATOM 1093 CB HIS A 70 0.145 2.686 3.437 1.00 0.00 C ATOM 1094 CG HIS A 70 1.446 1.966 3.285 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.462 2.059 4.207 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.887 1.120 2.324 1.00 0.00 C ATOM 1097 CE1 HIS A 70 3.474 1.305 3.824 1.00 0.00 C ATOM 1098 NE2 HIS A 70 3.151 0.721 2.683 1.00 0.00 N ATOM 0 H HIS A 70 2.076 3.899 2.267 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.753 3.718 1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.023 2.969 4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.665 1.997 3.197 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.437 2.624 5.056 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.346 0.816 1.440 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.408 1.185 4.353 1.00 0.00 H new ATOM 1107 N TRP A 71 0.504 5.878 3.912 1.00 0.00 N ATOM 1108 CA TRP A 71 0.222 7.035 4.740 1.00 0.00 C ATOM 1109 C TRP A 71 -0.382 8.152 3.898 1.00 0.00 C ATOM 1110 O TRP A 71 -1.228 8.914 4.370 1.00 0.00 O ATOM 1111 CB TRP A 71 1.504 7.512 5.425 1.00 0.00 C ATOM 1112 CG TRP A 71 1.299 8.704 6.309 1.00 0.00 C ATOM 1113 CD1 TRP A 71 0.608 8.744 7.484 1.00 0.00 C ATOM 1114 CD2 TRP A 71 1.791 10.031 6.085 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.639 10.015 8.007 1.00 0.00 N ATOM 1116 CE2 TRP A 71 1.359 10.823 7.167 1.00 0.00 C ATOM 1117 CE3 TRP A 71 2.555 10.627 5.079 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 1.667 12.177 7.267 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 2.859 11.971 5.179 1.00 0.00 C ATOM 1120 CH2 TRP A 71 2.416 12.733 6.266 1.00 0.00 C ATOM 0 H TRP A 71 1.497 5.715 3.742 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.500 6.754 5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.915 6.695 6.018 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.244 7.757 4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.109 7.900 7.938 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.198 10.309 8.879 1.00 0.00 H new ATOM 0 HE3 TRP A 71 2.902 10.047 4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.327 12.767 8.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.448 12.441 4.406 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.671 13.781 6.316 1.00 0.00 H new ATOM 1131 N ARG A 72 0.047 8.238 2.641 1.00 0.00 N ATOM 1132 CA ARG A 72 -0.464 9.253 1.731 1.00 0.00 C ATOM 1133 C ARG A 72 -1.858 8.874 1.249 1.00 0.00 C ATOM 1134 O ARG A 72 -2.741 9.724 1.130 1.00 0.00 O ATOM 1135 CB ARG A 72 0.477 9.428 0.537 1.00 0.00 C ATOM 1136 CG ARG A 72 0.054 10.536 -0.415 1.00 0.00 C ATOM 1137 CD ARG A 72 1.229 11.056 -1.226 1.00 0.00 C ATOM 1138 NE ARG A 72 0.893 11.217 -2.638 1.00 0.00 N ATOM 1139 CZ ARG A 72 0.157 12.218 -3.116 1.00 0.00 C ATOM 1140 NH1 ARG A 72 -0.321 13.148 -2.298 1.00 0.00 N ATOM 1141 NH2 ARG A 72 -0.101 12.291 -4.414 1.00 0.00 N ATOM 0 H ARG A 72 0.746 7.617 2.233 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.522 10.200 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.481 9.640 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.531 8.489 -0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.717 10.163 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.388 11.355 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.554 12.014 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.069 10.368 -1.130 1.00 0.00 H new ATOM 0 HE ARG A 72 1.243 10.521 -3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.125 13.098 -1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.884 13.913 -2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.264 11.580 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.665 13.058 -4.779 1.00 0.00 H new ATOM 1155 N GLY A 73 -2.049 7.589 0.982 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.339 7.109 0.527 1.00 0.00 C ATOM 1157 C GLY A 73 -4.391 7.177 1.614 1.00 0.00 C ATOM 1158 O GLY A 73 -5.579 7.327 1.330 1.00 0.00 O ATOM 0 H GLY A 73 -1.332 6.869 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.664 7.701 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.241 6.079 0.183 1.00 0.00 H new ATOM 1162 N THR A 74 -3.951 7.073 2.865 1.00 0.00 N ATOM 1163 CA THR A 74 -4.863 7.129 4.001 1.00 0.00 C ATOM 1164 C THR A 74 -5.273 8.568 4.290 1.00 0.00 C ATOM 1165 O THR A 74 -6.440 8.848 4.566 1.00 0.00 O ATOM 1166 CB THR A 74 -4.209 6.513 5.238 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.765 5.194 4.968 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.134 6.450 6.435 1.00 0.00 C ATOM 0 H THR A 74 -2.970 6.950 3.116 1.00 0.00 H new ATOM 0 HA THR A 74 -5.756 6.556 3.751 1.00 0.00 H new ATOM 0 HB THR A 74 -3.373 7.169 5.479 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.792 5.194 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.608 6.003 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.455 7.457 6.700 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.006 5.845 6.189 1.00 0.00 H new ATOM 1176 N LEU A 75 -4.307 9.479 4.224 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.571 10.891 4.477 1.00 0.00 C ATOM 1178 C LEU A 75 -3.495 11.769 3.846 1.00 0.00 C ATOM 1179 O LEU A 75 -2.562 12.207 4.520 1.00 0.00 O ATOM 1180 CB LEU A 75 -4.647 11.156 5.982 1.00 0.00 C ATOM 1181 CG LEU A 75 -5.700 12.182 6.405 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -7.090 11.562 6.380 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -5.385 12.728 7.790 1.00 0.00 C ATOM 0 H LEU A 75 -3.336 9.265 3.998 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.529 11.142 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.853 10.215 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.670 11.497 6.325 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.679 13.009 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.826 12.306 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.317 11.218 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.124 10.717 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.144 13.456 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.378 11.910 8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.407 13.209 7.778 1.00 0.00 H new ATOM 1195 N ARG A 76 -3.630 12.022 2.548 1.00 0.00 N ATOM 1196 CA ARG A 76 -2.669 12.850 1.826 1.00 0.00 C ATOM 1197 C ARG A 76 -2.906 14.329 2.111 1.00 0.00 C ATOM 1198 O ARG A 76 -3.797 14.689 2.880 1.00 0.00 O ATOM 1199 CB ARG A 76 -2.757 12.589 0.321 1.00 0.00 C ATOM 1200 CG ARG A 76 -4.178 12.600 -0.220 1.00 0.00 C ATOM 1201 CD ARG A 76 -4.194 12.625 -1.740 1.00 0.00 C ATOM 1202 NE ARG A 76 -5.552 12.566 -2.275 1.00 0.00 N ATOM 1203 CZ ARG A 76 -5.842 12.206 -3.524 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -4.873 11.873 -4.370 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -7.104 12.178 -3.928 1.00 0.00 N ATOM 0 H ARG A 76 -4.395 11.666 1.975 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.670 12.584 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.172 13.344 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.302 11.623 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.711 11.719 0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.709 13.471 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.705 13.533 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.617 11.783 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.323 12.815 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.900 11.892 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.102 11.598 -5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.852 12.432 -3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.327 11.902 -4.884 1.00 0.00 H new ATOM 1219 N TYR A 77 -2.101 15.182 1.486 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.223 16.622 1.672 1.00 0.00 C ATOM 1221 C TYR A 77 -1.690 17.373 0.455 1.00 0.00 C ATOM 1222 O TYR A 77 -0.629 17.043 -0.075 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.469 17.063 2.928 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.093 16.450 3.057 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.065 15.122 3.437 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.049 17.197 2.798 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.321 14.559 3.557 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.308 16.640 2.915 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.438 15.321 3.294 1.00 0.00 C ATOM 1230 OH TYR A 77 3.692 14.764 3.412 1.00 0.00 O ATOM 0 H TYR A 77 -1.358 14.900 0.847 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.280 16.859 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.374 18.149 2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.058 16.799 3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.808 14.521 3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.951 18.231 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.427 13.526 3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.186 17.235 2.711 1.00 0.00 H new ATOM 0 HH TYR A 77 4.370 15.436 3.190 1.00 0.00 H new ATOM 1240 N LYS A 78 -2.433 18.386 0.019 1.00 0.00 N ATOM 1241 CA LYS A 78 -2.036 19.183 -1.135 1.00 0.00 C ATOM 1242 C LYS A 78 -2.701 20.556 -1.102 1.00 0.00 C ATOM 1243 O LYS A 78 -3.690 20.794 -1.793 1.00 0.00 O ATOM 1244 CB LYS A 78 -2.396 18.457 -2.433 1.00 0.00 C ATOM 1245 CG LYS A 78 -1.352 18.609 -3.526 1.00 0.00 C ATOM 1246 CD LYS A 78 -1.182 17.322 -4.318 1.00 0.00 C ATOM 1247 CE LYS A 78 -0.734 17.600 -5.743 1.00 0.00 C ATOM 1248 NZ LYS A 78 -1.363 16.663 -6.716 1.00 0.00 N ATOM 0 H LYS A 78 -3.313 18.674 0.448 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.956 19.322 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.535 17.397 -2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.350 18.836 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.643 19.416 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.398 18.893 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.450 16.683 -3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.125 16.775 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.989 18.626 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.351 17.514 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.032 16.886 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.100 15.686 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.397 16.763 -6.675 1.00 0.00 H new ATOM 1262 N VAL A 79 -2.148 21.456 -0.295 1.00 0.00 N ATOM 1263 CA VAL A 79 -2.688 22.804 -0.171 1.00 0.00 C ATOM 1264 C VAL A 79 -1.597 23.852 -0.366 1.00 0.00 C ATOM 1265 O VAL A 79 -0.839 24.151 0.557 1.00 0.00 O ATOM 1266 CB VAL A 79 -3.353 23.020 1.202 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -4.082 24.354 1.238 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -4.303 21.876 1.519 1.00 0.00 C ATOM 0 H VAL A 79 -1.327 21.276 0.282 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.441 22.916 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.574 23.038 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.545 24.489 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.372 25.161 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.852 24.369 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.764 22.045 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.078 21.824 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.749 20.938 1.538 1.00 0.00 H new ATOM 1278 N ILE A 80 -1.525 24.406 -1.571 1.00 0.00 N ATOM 1279 CA ILE A 80 -0.527 25.420 -1.887 1.00 0.00 C ATOM 1280 C ILE A 80 -1.111 26.503 -2.789 1.00 0.00 C ATOM 1281 O ILE A 80 -1.553 26.225 -3.904 1.00 0.00 O ATOM 1282 CB ILE A 80 0.706 24.804 -2.574 1.00 0.00 C ATOM 1283 CG1 ILE A 80 0.274 23.831 -3.674 1.00 0.00 C ATOM 1284 CG2 ILE A 80 1.584 24.099 -1.551 1.00 0.00 C ATOM 1285 CD1 ILE A 80 1.402 23.422 -4.597 1.00 0.00 C ATOM 0 H ILE A 80 -2.146 24.170 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.219 25.865 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 80 1.286 25.605 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.149 22.939 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.519 24.291 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.452 23.669 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.917 24.817 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.014 23.306 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.023 22.732 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.810 24.306 -5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.186 22.933 -4.019 1.00 0.00 H new ATOM 1297 N GLN A 81 -1.108 27.738 -2.298 1.00 0.00 N ATOM 1298 CA GLN A 81 -1.638 28.864 -3.060 1.00 0.00 C ATOM 1299 C GLN A 81 -0.997 30.174 -2.610 1.00 0.00 C ATOM 1300 O GLN A 81 -1.526 30.869 -1.743 1.00 0.00 O ATOM 1301 CB GLN A 81 -3.156 28.944 -2.900 1.00 0.00 C ATOM 1302 CG GLN A 81 -3.867 29.516 -4.118 1.00 0.00 C ATOM 1303 CD GLN A 81 -4.479 30.876 -3.851 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -3.828 31.907 -4.021 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -5.738 30.887 -3.430 1.00 0.00 N ATOM 0 H GLN A 81 -0.745 27.985 -1.377 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.398 28.705 -4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.545 27.946 -2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.390 29.559 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.159 29.596 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.649 28.826 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.241 30.009 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.203 31.774 -3.234 1.00 0.00 H new ATOM 1314 N GLN A 82 0.145 30.503 -3.206 1.00 0.00 N ATOM 1315 CA GLN A 82 0.858 31.728 -2.867 1.00 0.00 C ATOM 1316 C GLN A 82 1.052 32.604 -4.101 1.00 0.00 C ATOM 1317 O GLN A 82 1.841 32.278 -4.988 1.00 0.00 O ATOM 1318 CB GLN A 82 2.215 31.397 -2.245 1.00 0.00 C ATOM 1319 CG GLN A 82 2.145 31.100 -0.755 1.00 0.00 C ATOM 1320 CD GLN A 82 2.829 32.159 0.088 1.00 0.00 C ATOM 1321 OE1 GLN A 82 3.771 32.813 -0.363 1.00 0.00 O ATOM 1322 NE2 GLN A 82 2.358 32.334 1.316 1.00 0.00 N ATOM 0 H GLN A 82 0.596 29.938 -3.926 1.00 0.00 H new ATOM 0 HA GLN A 82 0.258 32.279 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.641 30.535 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.894 32.234 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.100 31.021 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.607 30.132 -0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.576 31.769 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.778 33.033 1.929 1.00 0.00 H new ATOM 1331 N GLN A 83 0.326 33.717 -4.150 1.00 0.00 N ATOM 1332 CA GLN A 83 0.418 34.640 -5.275 1.00 0.00 C ATOM 1333 C GLN A 83 1.067 35.954 -4.850 1.00 0.00 C ATOM 1334 O GLN A 83 1.779 36.588 -5.627 1.00 0.00 O ATOM 1335 CB GLN A 83 -0.971 34.908 -5.858 1.00 0.00 C ATOM 1336 CG GLN A 83 -1.472 33.800 -6.770 1.00 0.00 C ATOM 1337 CD GLN A 83 -2.874 34.058 -7.282 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -3.063 34.507 -8.413 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -3.870 33.775 -6.449 1.00 0.00 N ATOM 0 H GLN A 83 -0.332 34.001 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 83 1.042 34.179 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.679 35.042 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.947 35.844 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.793 33.696 -7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.455 32.854 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.668 33.404 -5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.836 33.928 -6.738 1.00 0.00 H new ATOM 1348 N GLY A 84 0.811 36.358 -3.610 1.00 0.00 N ATOM 1349 CA GLY A 84 1.375 37.594 -3.101 1.00 0.00 C ATOM 1350 C GLY A 84 0.995 37.854 -1.657 1.00 0.00 C ATOM 1351 O GLY A 84 -0.142 37.606 -1.255 1.00 0.00 O ATOM 0 H GLY A 84 0.223 35.851 -2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.461 37.556 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.035 38.426 -3.718 1.00 0.00 H new ATOM 1355 N TYR A 85 1.946 38.353 -0.876 1.00 0.00 N ATOM 1356 CA TYR A 85 1.702 38.646 0.532 1.00 0.00 C ATOM 1357 C TYR A 85 2.572 39.806 1.005 1.00 0.00 C ATOM 1358 O TYR A 85 3.045 39.817 2.143 1.00 0.00 O ATOM 1359 CB TYR A 85 1.976 37.405 1.386 1.00 0.00 C ATOM 1360 CG TYR A 85 0.982 37.214 2.510 1.00 0.00 C ATOM 1361 CD1 TYR A 85 1.200 37.783 3.757 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -0.171 36.462 2.322 1.00 0.00 C ATOM 1363 CE1 TYR A 85 0.294 37.610 4.788 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -1.080 36.284 3.348 1.00 0.00 C ATOM 1365 CZ TYR A 85 -0.843 36.860 4.578 1.00 0.00 C ATOM 1366 OH TYR A 85 -1.746 36.685 5.601 1.00 0.00 O ATOM 0 H TYR A 85 2.892 38.563 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 85 0.656 38.932 0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.962 36.523 0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.979 37.478 1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.091 38.370 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.360 36.010 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.477 38.060 5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.972 35.696 3.187 1.00 0.00 H new ATOM 0 HH TYR A 85 -2.492 36.132 5.288 1.00 0.00 H new ATOM 1376 N ARG A 86 2.781 40.780 0.125 1.00 0.00 N ATOM 1377 CA ARG A 86 3.596 41.945 0.454 1.00 0.00 C ATOM 1378 C ARG A 86 3.434 43.034 -0.602 1.00 0.00 C ATOM 1379 O ARG A 86 3.876 42.880 -1.739 1.00 0.00 O ATOM 1380 CB ARG A 86 5.067 41.549 0.576 1.00 0.00 C ATOM 1381 CG ARG A 86 5.534 40.591 -0.508 1.00 0.00 C ATOM 1382 CD ARG A 86 6.922 40.048 -0.212 1.00 0.00 C ATOM 1383 NE ARG A 86 6.921 39.129 0.924 1.00 0.00 N ATOM 1384 CZ ARG A 86 6.549 37.853 0.846 1.00 0.00 C ATOM 1385 NH1 ARG A 86 6.148 37.341 -0.310 1.00 0.00 N ATOM 1386 NH2 ARG A 86 6.579 37.087 1.927 1.00 0.00 N ATOM 0 H ARG A 86 2.398 40.786 -0.820 1.00 0.00 H new ATOM 0 HA ARG A 86 3.255 42.338 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.680 42.449 0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.231 41.089 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.829 39.764 -0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.540 41.104 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.305 39.534 -1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.599 40.877 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 86 7.223 39.486 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.123 37.926 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.864 36.363 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.887 37.475 2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.294 36.109 1.867 1.00 0.00 H new ATOM 1400 N GLY A 87 2.799 44.136 -0.214 1.00 0.00 N ATOM 1401 CA GLY A 87 2.592 45.235 -1.138 1.00 0.00 C ATOM 1402 C GLY A 87 1.815 46.377 -0.513 1.00 0.00 C ATOM 1403 O GLY A 87 2.079 47.546 -0.796 1.00 0.00 O ATOM 0 H GLY A 87 2.425 44.287 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.558 45.603 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.057 44.872 -2.016 1.00 0.00 H new ATOM 1407 N LYS A 88 0.851 46.038 0.338 1.00 0.00 N ATOM 1408 CA LYS A 88 0.032 47.044 1.003 1.00 0.00 C ATOM 1409 C LYS A 88 0.735 47.583 2.246 1.00 0.00 C ATOM 1410 O LYS A 88 0.590 47.037 3.339 1.00 0.00 O ATOM 1411 CB LYS A 88 -1.326 46.452 1.388 1.00 0.00 C ATOM 1412 CG LYS A 88 -2.260 47.451 2.052 1.00 0.00 C ATOM 1413 CD LYS A 88 -3.405 46.753 2.768 1.00 0.00 C ATOM 1414 CE LYS A 88 -2.927 46.041 4.025 1.00 0.00 C ATOM 1415 NZ LYS A 88 -3.378 46.735 5.262 1.00 0.00 N ATOM 0 H LYS A 88 0.619 45.075 0.583 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.122 47.869 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.807 46.057 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.168 45.611 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.700 48.057 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.660 48.131 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.170 47.484 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.870 46.033 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.301 45.017 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.839 45.983 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.032 46.219 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.001 47.704 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.417 46.768 5.282 1.00 0.00 H new ATOM 1429 N ASN A 89 1.497 48.657 2.068 1.00 0.00 N ATOM 1430 CA ASN A 89 2.223 49.271 3.175 1.00 0.00 C ATOM 1431 C ASN A 89 3.217 48.286 3.785 1.00 0.00 C ATOM 1432 O ASN A 89 2.872 47.521 4.685 1.00 0.00 O ATOM 1433 CB ASN A 89 1.244 49.761 4.244 1.00 0.00 C ATOM 1434 CG ASN A 89 1.517 51.192 4.665 1.00 0.00 C ATOM 1435 OD1 ASN A 89 0.823 52.117 4.247 1.00 0.00 O ATOM 1436 ND2 ASN A 89 2.535 51.380 5.496 1.00 0.00 N ATOM 0 H ASN A 89 1.628 49.120 1.169 1.00 0.00 H new ATOM 0 HA ASN A 89 2.779 50.124 2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.226 49.685 3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.307 49.110 5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.768 52.321 5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.084 50.583 5.818 1.00 0.00 H new ATOM 1443 N SER A 90 4.451 48.314 3.290 1.00 0.00 N ATOM 1444 CA SER A 90 5.494 47.424 3.787 1.00 0.00 C ATOM 1445 C SER A 90 6.058 47.933 5.109 1.00 0.00 C ATOM 1446 O SER A 90 6.412 47.146 5.987 1.00 0.00 O ATOM 1447 CB SER A 90 6.616 47.295 2.755 1.00 0.00 C ATOM 1448 OG SER A 90 6.395 46.189 1.897 1.00 0.00 O ATOM 0 H SER A 90 4.752 48.943 2.546 1.00 0.00 H new ATOM 0 HA SER A 90 5.051 46.443 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.679 48.210 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.572 47.178 3.265 1.00 0.00 H new ATOM 0 HG SER A 90 7.125 46.129 1.246 1.00 0.00 H new ATOM 1454 N VAL A 91 6.143 49.252 5.243 1.00 0.00 N ATOM 1455 CA VAL A 91 6.664 49.865 6.459 1.00 0.00 C ATOM 1456 C VAL A 91 5.547 50.504 7.276 1.00 0.00 C ATOM 1457 O VAL A 91 4.801 51.345 6.774 1.00 0.00 O ATOM 1458 CB VAL A 91 7.727 50.933 6.138 1.00 0.00 C ATOM 1459 CG1 VAL A 91 9.031 50.278 5.708 1.00 0.00 C ATOM 1460 CG2 VAL A 91 7.220 51.885 5.065 1.00 0.00 C ATOM 0 H VAL A 91 5.858 49.917 4.524 1.00 0.00 H new ATOM 0 HA VAL A 91 7.125 49.068 7.042 1.00 0.00 H new ATOM 0 HB VAL A 91 7.920 51.511 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.769 51.049 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 91 9.401 49.642 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.858 49.673 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.984 52.632 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.997 51.324 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.315 52.381 5.417 1.00 0.00 H new ATOM 1470 N ALA A 92 5.440 50.101 8.538 1.00 0.00 N ATOM 1471 CA ALA A 92 4.414 50.636 9.425 1.00 0.00 C ATOM 1472 C ALA A 92 4.973 50.888 10.821 1.00 0.00 C ATOM 1473 O ALA A 92 6.163 50.695 11.068 1.00 0.00 O ATOM 1474 CB ALA A 92 3.229 49.684 9.494 1.00 0.00 C ATOM 0 H ALA A 92 6.050 49.407 8.969 1.00 0.00 H new ATOM 0 HA ALA A 92 4.078 51.590 9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.470 50.095 10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.807 49.556 8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.560 48.718 9.875 1.00 0.00 H new ATOM 1480 N ALA A 93 4.108 51.324 11.731 1.00 0.00 N ATOM 1481 CA ALA A 93 4.515 51.605 13.102 1.00 0.00 C ATOM 1482 C ALA A 93 3.916 50.594 14.072 1.00 0.00 C ATOM 1483 O ALA A 93 3.261 49.636 13.661 1.00 0.00 O ATOM 1484 CB ALA A 93 4.112 53.019 13.493 1.00 0.00 C ATOM 0 H ALA A 93 3.119 51.490 11.543 1.00 0.00 H new ATOM 0 HA ALA A 93 5.600 51.520 13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.422 53.215 14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.595 53.733 12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.030 53.124 13.415 1.00 0.00 H new ATOM 1490 N ARG A 94 4.143 50.814 15.364 1.00 0.00 N ATOM 1491 CA ARG A 94 3.623 49.921 16.394 1.00 0.00 C ATOM 1492 C ARG A 94 3.403 50.672 17.704 1.00 0.00 C ATOM 1493 O ARG A 94 3.727 51.855 17.815 1.00 0.00 O ATOM 1494 CB ARG A 94 4.583 48.750 16.616 1.00 0.00 C ATOM 1495 CG ARG A 94 4.161 47.476 15.903 1.00 0.00 C ATOM 1496 CD ARG A 94 5.067 46.310 16.264 1.00 0.00 C ATOM 1497 NE ARG A 94 4.692 45.696 17.535 1.00 0.00 N ATOM 1498 CZ ARG A 94 5.403 44.745 18.139 1.00 0.00 C ATOM 1499 NH1 ARG A 94 6.523 44.295 17.588 1.00 0.00 N ATOM 1500 NH2 ARG A 94 4.990 44.241 19.294 1.00 0.00 N ATOM 0 H ARG A 94 4.683 51.602 15.722 1.00 0.00 H new ATOM 0 HA ARG A 94 2.663 49.533 16.054 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.578 49.036 16.274 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.659 48.551 17.685 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.132 47.234 16.167 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.184 47.636 14.825 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.025 45.561 15.474 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.099 46.657 16.320 1.00 0.00 H new ATOM 0 HE ARG A 94 3.835 46.014 17.987 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.843 44.677 16.698 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.064 43.567 18.054 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.128 44.581 19.720 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.534 43.513 19.756 1.00 0.00 H new ATOM 1514 N SER A 95 2.850 49.977 18.692 1.00 0.00 N ATOM 1515 CA SER A 95 2.586 50.577 19.995 1.00 0.00 C ATOM 1516 C SER A 95 3.890 50.976 20.682 1.00 0.00 C ATOM 1517 O SER A 95 4.973 50.562 20.267 1.00 0.00 O ATOM 1518 CB SER A 95 1.803 49.606 20.881 1.00 0.00 C ATOM 1519 OG SER A 95 1.273 48.533 20.122 1.00 0.00 O ATOM 0 H SER A 95 2.576 48.998 18.616 1.00 0.00 H new ATOM 0 HA SER A 95 1.987 51.475 19.840 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.456 49.215 21.662 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.992 50.137 21.380 1.00 0.00 H new ATOM 0 HG SER A 95 0.779 47.927 20.713 1.00 0.00 H new ATOM 1525 N PRO A 96 3.803 51.790 21.749 1.00 0.00 N ATOM 1526 CA PRO A 96 4.983 52.243 22.493 1.00 0.00 C ATOM 1527 C PRO A 96 5.661 51.106 23.250 1.00 0.00 C ATOM 1528 O PRO A 96 4.996 50.244 23.825 1.00 0.00 O ATOM 1529 CB PRO A 96 4.415 53.273 23.473 1.00 0.00 C ATOM 1530 CG PRO A 96 2.984 52.895 23.636 1.00 0.00 C ATOM 1531 CD PRO A 96 2.553 52.330 22.311 1.00 0.00 C ATOM 0 HA PRO A 96 5.751 52.644 21.832 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.943 53.245 24.426 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.515 54.286 23.084 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.862 52.160 24.432 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.380 53.761 23.906 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.798 51.553 22.432 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.121 53.097 21.668 1.00 0.00 H new ATOM 1539 N GLU A 97 6.990 51.109 23.245 1.00 0.00 N ATOM 1540 CA GLU A 97 7.760 50.076 23.930 1.00 0.00 C ATOM 1541 C GLU A 97 9.030 50.660 24.542 1.00 0.00 C ATOM 1542 O GLU A 97 9.971 51.008 23.829 1.00 0.00 O ATOM 1543 CB GLU A 97 8.116 48.948 22.959 1.00 0.00 C ATOM 1544 CG GLU A 97 7.782 47.562 23.489 1.00 0.00 C ATOM 1545 CD GLU A 97 8.976 46.628 23.476 1.00 0.00 C ATOM 1546 OE1 GLU A 97 9.929 46.871 24.247 1.00 0.00 O ATOM 1547 OE2 GLU A 97 8.960 45.653 22.696 1.00 0.00 O ATOM 0 H GLU A 97 7.556 51.815 22.774 1.00 0.00 H new ATOM 0 HA GLU A 97 7.145 49.671 24.734 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.585 49.107 22.020 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.182 48.995 22.735 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.404 47.648 24.508 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.982 47.131 22.888 1.00 0.00 H new ATOM 1554 N LYS A 98 9.048 50.766 25.867 1.00 0.00 N ATOM 1555 CA LYS A 98 10.202 51.308 26.574 1.00 0.00 C ATOM 1556 C LYS A 98 11.247 50.225 26.821 1.00 0.00 C ATOM 1557 O LYS A 98 11.055 49.342 27.656 1.00 0.00 O ATOM 1558 CB LYS A 98 9.767 51.928 27.905 1.00 0.00 C ATOM 1559 CG LYS A 98 8.856 51.031 28.727 1.00 0.00 C ATOM 1560 CD LYS A 98 9.019 51.288 30.216 1.00 0.00 C ATOM 1561 CE LYS A 98 10.372 50.814 30.720 1.00 0.00 C ATOM 1562 NZ LYS A 98 10.930 51.725 31.757 1.00 0.00 N ATOM 0 H LYS A 98 8.277 50.484 26.472 1.00 0.00 H new ATOM 0 HA LYS A 98 10.648 52.082 25.950 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.654 52.166 28.492 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.254 52.869 27.707 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.819 51.201 28.439 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.080 49.986 28.510 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.908 52.354 30.416 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.227 50.777 30.763 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.274 49.810 31.134 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.068 50.747 29.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.853 51.366 32.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.048 52.677 31.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.279 51.769 32.567 1.00 0.00 H new ATOM 1576 N ALA A 99 12.353 50.301 26.087 1.00 0.00 N ATOM 1577 CA ALA A 99 13.429 49.327 26.225 1.00 0.00 C ATOM 1578 C ALA A 99 14.785 50.018 26.328 1.00 0.00 C ATOM 1579 O ALA A 99 14.869 51.246 26.317 1.00 0.00 O ATOM 1580 CB ALA A 99 13.415 48.357 25.053 1.00 0.00 C ATOM 0 H ALA A 99 12.527 51.026 25.391 1.00 0.00 H new ATOM 0 HA ALA A 99 13.265 48.768 27.146 1.00 0.00 H new ATOM 0 HB1 ALA A 99 14.223 47.635 25.168 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.460 47.832 25.027 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.551 48.908 24.123 1.00 0.00 H new ATOM 1586 N SER A 100 15.843 49.221 26.430 1.00 0.00 N ATOM 1587 CA SER A 100 17.196 49.755 26.536 1.00 0.00 C ATOM 1588 C SER A 100 18.062 49.276 25.376 1.00 0.00 C ATOM 1589 O SER A 100 17.679 48.370 24.634 1.00 0.00 O ATOM 1590 CB SER A 100 17.829 49.339 27.865 1.00 0.00 C ATOM 1591 OG SER A 100 18.914 50.187 28.202 1.00 0.00 O ATOM 0 H SER A 100 15.790 48.202 26.442 1.00 0.00 H new ATOM 0 HA SER A 100 17.134 50.843 26.496 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.079 49.372 28.655 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.176 48.308 27.799 1.00 0.00 H new ATOM 0 HG SER A 100 19.300 49.901 29.056 1.00 0.00 H new ATOM 1597 N ASN A 101 19.232 49.888 25.225 1.00 0.00 N ATOM 1598 CA ASN A 101 20.153 49.523 24.155 1.00 0.00 C ATOM 1599 C ASN A 101 21.601 49.679 24.607 1.00 0.00 C ATOM 1600 O ASN A 101 22.193 50.750 24.467 1.00 0.00 O ATOM 1601 CB ASN A 101 19.897 50.384 22.916 1.00 0.00 C ATOM 1602 CG ASN A 101 18.447 50.347 22.477 1.00 0.00 C ATOM 1603 OD1 ASN A 101 17.717 51.328 22.623 1.00 0.00 O ATOM 1604 ND2 ASN A 101 18.022 49.212 21.933 1.00 0.00 N ATOM 0 H ASN A 101 19.565 50.639 25.830 1.00 0.00 H new ATOM 0 HA ASN A 101 19.981 48.477 23.903 1.00 0.00 H new ATOM 0 HB2 ASN A 101 20.184 51.414 23.127 1.00 0.00 H new ATOM 0 HB3 ASN A 101 20.530 50.038 22.099 1.00 0.00 H new ATOM 0 HD21 ASN A 101 17.056 49.128 21.617 1.00 0.00 H new ATOM 0 HD22 ASN A 101 18.662 48.424 21.832 1.00 0.00 H new ATOM 1611 N MET A 102 22.167 48.605 25.148 1.00 0.00 N ATOM 1612 CA MET A 102 23.547 48.623 25.620 1.00 0.00 C ATOM 1613 C MET A 102 24.280 47.352 25.205 1.00 0.00 C ATOM 1614 O MET A 102 23.697 46.459 24.591 1.00 0.00 O ATOM 1615 CB MET A 102 23.584 48.774 27.141 1.00 0.00 C ATOM 1616 CG MET A 102 23.020 50.096 27.635 1.00 0.00 C ATOM 1617 SD MET A 102 23.296 50.354 29.398 1.00 0.00 S ATOM 1618 CE MET A 102 22.634 52.005 29.607 1.00 0.00 C ATOM 0 H MET A 102 21.691 47.711 25.270 1.00 0.00 H new ATOM 0 HA MET A 102 24.051 49.476 25.165 1.00 0.00 H new ATOM 0 HB2 MET A 102 23.021 47.957 27.593 1.00 0.00 H new ATOM 0 HB3 MET A 102 24.615 48.678 27.482 1.00 0.00 H new ATOM 0 HG2 MET A 102 23.477 50.913 27.076 1.00 0.00 H new ATOM 0 HG3 MET A 102 21.950 50.129 27.430 1.00 0.00 H new ATOM 0 HE1 MET A 102 22.733 52.307 30.650 1.00 0.00 H new ATOM 0 HE2 MET A 102 23.184 52.701 28.974 1.00 0.00 H new ATOM 0 HE3 MET A 102 21.581 52.013 29.325 1.00 0.00 H new ATOM 1628 N GLU A 103 25.563 47.278 25.546 1.00 0.00 N ATOM 1629 CA GLU A 103 26.377 46.114 25.210 1.00 0.00 C ATOM 1630 C GLU A 103 26.445 45.918 23.699 1.00 0.00 C ATOM 1631 O GLU A 103 25.514 45.392 23.089 1.00 0.00 O ATOM 1632 CB GLU A 103 25.811 44.859 25.875 1.00 0.00 C ATOM 1633 CG GLU A 103 25.616 45.001 27.376 1.00 0.00 C ATOM 1634 CD GLU A 103 25.836 43.696 28.117 1.00 0.00 C ATOM 1635 OE1 GLU A 103 26.564 42.830 27.590 1.00 0.00 O ATOM 1636 OE2 GLU A 103 25.280 43.542 29.224 1.00 0.00 O ATOM 0 H GLU A 103 26.061 48.009 26.054 1.00 0.00 H new ATOM 0 HA GLU A 103 27.387 46.288 25.582 1.00 0.00 H new ATOM 0 HB2 GLU A 103 24.854 44.614 25.414 1.00 0.00 H new ATOM 0 HB3 GLU A 103 26.482 44.022 25.682 1.00 0.00 H new ATOM 0 HG2 GLU A 103 26.306 45.753 27.759 1.00 0.00 H new ATOM 0 HG3 GLU A 103 24.607 45.363 27.575 1.00 0.00 H new ATOM 1643 N ASN A 104 27.554 46.342 23.100 1.00 0.00 N ATOM 1644 CA ASN A 104 27.744 46.211 21.661 1.00 0.00 C ATOM 1645 C ASN A 104 29.228 46.151 21.312 1.00 0.00 C ATOM 1646 O ASN A 104 30.073 46.628 22.069 1.00 0.00 O ATOM 1647 CB ASN A 104 27.083 47.381 20.931 1.00 0.00 C ATOM 1648 CG ASN A 104 26.689 47.028 19.511 1.00 0.00 C ATOM 1649 OD1 ASN A 104 27.281 46.144 18.891 1.00 0.00 O ATOM 1650 ND2 ASN A 104 25.681 47.716 18.987 1.00 0.00 N ATOM 0 H ASN A 104 28.334 46.779 23.590 1.00 0.00 H new ATOM 0 HA ASN A 104 27.276 45.280 21.340 1.00 0.00 H new ATOM 0 HB2 ASN A 104 26.198 47.696 21.483 1.00 0.00 H new ATOM 0 HB3 ASN A 104 27.768 48.229 20.915 1.00 0.00 H new ATOM 0 HD21 ASN A 104 25.370 47.520 18.036 1.00 0.00 H new ATOM 0 HD22 ASN A 104 25.218 48.440 19.536 1.00 0.00 H new ATOM 1657 N ASN A 105 29.537 45.563 20.161 1.00 0.00 N ATOM 1658 CA ASN A 105 30.919 45.441 19.711 1.00 0.00 C ATOM 1659 C ASN A 105 31.112 46.118 18.358 1.00 0.00 C ATOM 1660 O ASN A 105 30.176 46.221 17.565 1.00 0.00 O ATOM 1661 CB ASN A 105 31.319 43.967 19.619 1.00 0.00 C ATOM 1662 CG ASN A 105 32.709 43.711 20.167 1.00 0.00 C ATOM 1663 OD1 ASN A 105 32.870 43.283 21.309 1.00 0.00 O ATOM 1664 ND2 ASN A 105 33.724 43.973 19.351 1.00 0.00 N ATOM 0 H ASN A 105 28.849 45.163 19.523 1.00 0.00 H new ATOM 0 HA ASN A 105 31.558 45.939 20.440 1.00 0.00 H new ATOM 0 HB2 ASN A 105 30.598 43.362 20.169 1.00 0.00 H new ATOM 0 HB3 ASN A 105 31.277 43.646 18.578 1.00 0.00 H new ATOM 0 HD21 ASN A 105 34.683 43.820 19.664 1.00 0.00 H new ATOM 0 HD22 ASN A 105 33.545 44.327 18.411 1.00 0.00 H new ATOM 1671 N GLU A 106 32.333 46.577 18.101 1.00 0.00 N ATOM 1672 CA GLU A 106 32.648 47.245 16.844 1.00 0.00 C ATOM 1673 C GLU A 106 32.616 46.257 15.680 1.00 0.00 C ATOM 1674 O GLU A 106 32.069 46.617 14.617 1.00 0.00 O ATOM 1675 CB GLU A 106 34.026 47.909 16.929 1.00 0.00 C ATOM 1676 CG GLU A 106 33.968 49.378 17.313 1.00 0.00 C ATOM 1677 CD GLU A 106 35.345 49.989 17.481 1.00 0.00 C ATOM 1678 OE1 GLU A 106 36.308 49.458 16.887 1.00 0.00 O ATOM 1679 OE2 GLU A 106 35.462 50.999 18.207 1.00 0.00 O ATOM 1680 OXT GLU A 106 33.138 45.134 15.843 1.00 0.00 O ATOM 0 H GLU A 106 33.119 46.498 18.746 1.00 0.00 H new ATOM 0 HA GLU A 106 31.893 48.011 16.667 1.00 0.00 H new ATOM 0 HB2 GLU A 106 34.634 47.374 17.659 1.00 0.00 H new ATOM 0 HB3 GLU A 106 34.527 47.813 15.966 1.00 0.00 H new ATOM 0 HG2 GLU A 106 33.421 49.929 16.548 1.00 0.00 H new ATOM 0 HG3 GLU A 106 33.410 49.485 18.243 1.00 0.00 H new TER 1687 GLU A 106