USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 733 hydrogens (16 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 NoAdj-H: B 216 TYS HN2 : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 216 TYS H : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 217 TYS HN2 : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD NoAdj-H: B 217 TYS H : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD Set 1.1: B 216 TYS O3 : rot -58:sc= 1.66 USER MOD Set 1.2: B 217 TYS O3 : rot 146:sc= -0.717 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -127:sc= -2.07 (180deg=0) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -119:sc= -3.92! (180deg=-0.703) USER MOD Single : A 1 GLY N :NH3+ -131:sc= -1.49 (180deg=-4.6!) USER MOD Single : A 4 SER OG : rot -59:sc= 0.941 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -7.99! C(o=-8!,f=-18!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.34! C(o=-5.3!,f=-6.3!) USER MOD Single : A 25 SER OG : rot -169:sc= -0.72! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 31 SER OG : rot 180:sc= -0.122 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -127:sc= -2.97! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= -1.21! (180deg=-1.33!) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -0.307 (180deg=-1.31!) USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= 0.978 (180deg=-0.959!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 61 SER OG : rot 66:sc= 0.818 USER MOD Single : A 62 MET CE :methyl -179:sc= -0.498 (180deg=-0.503) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= -0.155 (180deg=-0.899) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0904 X(o=-0.09,f=-0.09) USER MOD Single : A 68 LYS NZ :NH3+ -104:sc= -2.48! (180deg=-5.14!) USER MOD Single : A 69 SER OG : rot -27:sc= 0.688 USER MOD Single : A 71 THR OG1 : rot 9:sc= 1.2! USER MOD Single : B 210 THR OG1 : rot -160:sc= -4.01! USER MOD Single : B 213 THR OG1 : rot -67:sc= 1 USER MOD Single : B 214 THR OG1 : rot -28:sc= 0.241 USER MOD Single : B 215 SER OG : rot 164:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.093 -11.345 -5.143 1.00 0.00 N ATOM 2 CA GLY A 1 4.761 -11.259 -6.593 1.00 0.00 C ATOM 3 C GLY A 1 3.720 -12.318 -6.942 1.00 0.00 C ATOM 4 O GLY A 1 2.626 -11.996 -7.407 1.00 0.00 O ATOM 0 H1 GLY A 1 5.044 -10.397 -4.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.413 -11.972 -4.668 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.054 -11.726 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.379 -10.266 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.660 -11.406 -7.192 1.00 0.00 H new ATOM 10 N PRO A 2 4.039 -13.567 -6.729 1.00 0.00 N ATOM 11 CA PRO A 2 3.113 -14.700 -7.028 1.00 0.00 C ATOM 12 C PRO A 2 1.693 -14.430 -6.530 1.00 0.00 C ATOM 13 O PRO A 2 0.730 -15.013 -7.029 1.00 0.00 O ATOM 14 CB PRO A 2 3.751 -15.882 -6.289 1.00 0.00 C ATOM 15 CG PRO A 2 5.214 -15.570 -6.264 1.00 0.00 C ATOM 16 CD PRO A 2 5.322 -14.043 -6.178 1.00 0.00 C ATOM 0 HA PRO A 2 2.999 -14.874 -8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.350 -15.981 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.556 -16.823 -6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.699 -16.044 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.708 -15.946 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.464 -13.709 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.168 -13.669 -6.754 1.00 0.00 H new ATOM 24 N ALA A 3 1.574 -13.545 -5.545 1.00 0.00 N ATOM 25 CA ALA A 3 0.270 -13.207 -4.989 1.00 0.00 C ATOM 26 C ALA A 3 0.349 -11.916 -4.182 1.00 0.00 C ATOM 27 O ALA A 3 1.372 -11.231 -4.187 1.00 0.00 O ATOM 28 CB ALA A 3 -0.225 -14.342 -4.092 1.00 0.00 C ATOM 0 H ALA A 3 2.359 -13.053 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.429 -13.064 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.200 -14.082 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.311 -15.257 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.483 -14.497 -3.278 1.00 0.00 H new ATOM 34 N SER A 4 -0.737 -11.588 -3.489 1.00 0.00 N ATOM 35 CA SER A 4 -0.779 -10.376 -2.679 1.00 0.00 C ATOM 36 C SER A 4 -1.892 -10.466 -1.639 1.00 0.00 C ATOM 37 O SER A 4 -2.812 -9.650 -1.629 1.00 0.00 O ATOM 38 CB SER A 4 -1.013 -9.159 -3.574 1.00 0.00 C ATOM 39 OG SER A 4 -1.214 -8.010 -2.761 1.00 0.00 O ATOM 0 H SER A 4 -1.594 -12.140 -3.472 1.00 0.00 H new ATOM 0 HA SER A 4 0.176 -10.271 -2.165 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.158 -9.008 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.881 -9.324 -4.212 1.00 0.00 H new ATOM 0 HG SER A 4 -1.990 -8.152 -2.180 1.00 0.00 H new ATOM 45 N VAL A 5 -1.796 -11.465 -0.764 1.00 0.00 N ATOM 46 CA VAL A 5 -2.798 -11.662 0.283 1.00 0.00 C ATOM 47 C VAL A 5 -2.155 -12.263 1.530 1.00 0.00 C ATOM 48 O VAL A 5 -2.283 -13.460 1.789 1.00 0.00 O ATOM 49 CB VAL A 5 -3.901 -12.598 -0.216 1.00 0.00 C ATOM 50 CG1 VAL A 5 -5.005 -12.692 0.840 1.00 0.00 C ATOM 51 CG2 VAL A 5 -4.488 -12.046 -1.518 1.00 0.00 C ATOM 0 H VAL A 5 -1.039 -12.148 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.228 -10.692 0.534 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.483 -13.589 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.791 -13.358 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.588 -13.083 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.422 -11.701 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.274 -12.712 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.906 -11.056 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.703 -11.977 -2.271 1.00 0.00 H new ATOM 61 N PRO A 6 -1.470 -11.461 2.300 1.00 0.00 N ATOM 62 CA PRO A 6 -0.794 -11.926 3.546 1.00 0.00 C ATOM 63 C PRO A 6 -1.733 -12.741 4.439 1.00 0.00 C ATOM 64 O PRO A 6 -1.501 -13.925 4.680 1.00 0.00 O ATOM 65 CB PRO A 6 -0.360 -10.622 4.231 1.00 0.00 C ATOM 66 CG PRO A 6 -0.210 -9.636 3.116 1.00 0.00 C ATOM 67 CD PRO A 6 -1.258 -10.022 2.068 1.00 0.00 C ATOM 0 HA PRO A 6 0.041 -12.595 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.103 -10.290 4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.577 -10.752 4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.370 -8.618 3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.795 -9.673 2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.180 -9.456 2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.903 -9.828 1.056 1.00 0.00 H new ATOM 75 N THR A 7 -2.789 -12.096 4.922 1.00 0.00 N ATOM 76 CA THR A 7 -3.753 -12.770 5.784 1.00 0.00 C ATOM 77 C THR A 7 -4.918 -11.842 6.114 1.00 0.00 C ATOM 78 O THR A 7 -5.981 -12.293 6.542 1.00 0.00 O ATOM 79 CB THR A 7 -3.072 -13.219 7.079 1.00 0.00 C ATOM 80 OG1 THR A 7 -4.057 -13.668 7.998 1.00 0.00 O ATOM 81 CG2 THR A 7 -2.303 -12.045 7.687 1.00 0.00 C ATOM 0 H THR A 7 -2.998 -11.116 4.734 1.00 0.00 H new ATOM 0 HA THR A 7 -4.137 -13.642 5.255 1.00 0.00 H new ATOM 0 HB THR A 7 -2.378 -14.031 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.623 -13.957 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.818 -12.366 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.547 -11.700 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.994 -11.231 7.905 1.00 0.00 H new ATOM 89 N THR A 8 -4.711 -10.544 5.912 1.00 0.00 N ATOM 90 CA THR A 8 -5.750 -9.554 6.190 1.00 0.00 C ATOM 91 C THR A 8 -5.564 -8.322 5.312 1.00 0.00 C ATOM 92 O THR A 8 -5.802 -7.196 5.748 1.00 0.00 O ATOM 93 CB THR A 8 -5.698 -9.141 7.664 1.00 0.00 C ATOM 94 OG1 THR A 8 -4.391 -8.682 7.978 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.045 -10.339 8.551 1.00 0.00 C ATOM 0 H THR A 8 -3.838 -10.153 5.558 1.00 0.00 H new ATOM 0 HA THR A 8 -6.719 -10.002 5.971 1.00 0.00 H new ATOM 0 HB THR A 8 -6.419 -8.343 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.356 -8.415 8.920 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.006 -10.040 9.598 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.048 -10.691 8.311 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.328 -11.141 8.376 1.00 0.00 H new ATOM 103 N CYS A 9 -5.137 -8.542 4.073 1.00 0.00 N ATOM 104 CA CYS A 9 -4.924 -7.439 3.143 1.00 0.00 C ATOM 105 C CYS A 9 -4.018 -6.382 3.766 1.00 0.00 C ATOM 106 O CYS A 9 -2.800 -6.416 3.596 1.00 0.00 O ATOM 107 CB CYS A 9 -6.267 -6.811 2.765 1.00 0.00 C ATOM 108 SG CYS A 9 -5.985 -5.309 1.794 1.00 0.00 S ATOM 0 H CYS A 9 -4.933 -9.466 3.692 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.442 -7.829 2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.863 -7.521 2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.834 -6.573 3.665 1.00 0.00 H new ATOM 113 N CYS A 10 -4.622 -5.445 4.490 1.00 0.00 N ATOM 114 CA CYS A 10 -3.860 -4.382 5.137 1.00 0.00 C ATOM 115 C CYS A 10 -4.764 -3.555 6.045 1.00 0.00 C ATOM 116 O CYS A 10 -4.842 -2.334 5.912 1.00 0.00 O ATOM 117 CB CYS A 10 -3.227 -3.473 4.081 1.00 0.00 C ATOM 118 SG CYS A 10 -4.527 -2.537 3.235 1.00 0.00 S ATOM 0 H CYS A 10 -5.629 -5.400 4.643 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.075 -4.839 5.739 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.519 -2.790 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.666 -4.069 3.361 1.00 0.00 H new ATOM 123 N PHE A 11 -5.447 -4.228 6.965 1.00 0.00 N ATOM 124 CA PHE A 11 -6.345 -3.543 7.886 1.00 0.00 C ATOM 125 C PHE A 11 -7.353 -2.699 7.109 1.00 0.00 C ATOM 126 O PHE A 11 -8.465 -3.149 6.837 1.00 0.00 O ATOM 127 CB PHE A 11 -5.537 -2.657 8.841 1.00 0.00 C ATOM 128 CG PHE A 11 -6.456 -2.063 9.886 1.00 0.00 C ATOM 129 CD1 PHE A 11 -7.087 -2.898 10.816 1.00 0.00 C ATOM 130 CD2 PHE A 11 -6.674 -0.679 9.928 1.00 0.00 C ATOM 131 CE1 PHE A 11 -7.936 -2.352 11.786 1.00 0.00 C ATOM 132 CE2 PHE A 11 -7.523 -0.134 10.900 1.00 0.00 C ATOM 133 CZ PHE A 11 -8.154 -0.970 11.827 1.00 0.00 C ATOM 0 H PHE A 11 -5.397 -5.239 7.092 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.889 -4.286 8.469 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.754 -3.244 9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.042 -1.862 8.284 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.919 -3.964 10.785 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.188 -0.033 9.212 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.423 -2.997 12.503 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.690 0.932 10.934 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.810 -0.549 12.575 1.00 0.00 H new ATOM 143 N ASN A 12 -6.953 -1.482 6.746 1.00 0.00 N ATOM 144 CA ASN A 12 -7.825 -0.588 5.988 1.00 0.00 C ATOM 145 C ASN A 12 -7.164 0.777 5.815 1.00 0.00 C ATOM 146 O ASN A 12 -6.886 1.473 6.791 1.00 0.00 O ATOM 147 CB ASN A 12 -9.177 -0.430 6.699 1.00 0.00 C ATOM 148 CG ASN A 12 -8.968 -0.351 8.207 1.00 0.00 C ATOM 149 OD1 ASN A 12 -8.738 0.732 8.746 1.00 0.00 O ATOM 150 ND2 ASN A 12 -9.036 -1.439 8.924 1.00 0.00 N ATOM 0 H ASN A 12 -6.035 -1.094 6.963 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.994 -1.025 5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.680 0.470 6.346 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.825 -1.273 6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.899 -1.394 9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.227 -2.335 8.475 1.00 0.00 H new ATOM 157 N LEU A 13 -6.917 1.148 4.563 1.00 0.00 N ATOM 158 CA LEU A 13 -6.288 2.428 4.264 1.00 0.00 C ATOM 159 C LEU A 13 -5.085 2.662 5.175 1.00 0.00 C ATOM 160 O LEU A 13 -4.227 1.790 5.317 1.00 0.00 O ATOM 161 CB LEU A 13 -7.305 3.563 4.430 1.00 0.00 C ATOM 162 CG LEU A 13 -8.665 3.116 3.885 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.631 4.302 3.881 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.502 2.590 2.455 1.00 0.00 C ATOM 0 H LEU A 13 -7.142 0.584 3.744 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.939 2.411 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.394 3.834 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.963 4.452 3.900 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.062 2.324 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.598 3.982 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.753 4.675 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.231 5.095 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.472 2.273 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.101 3.380 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.817 1.742 2.455 1.00 0.00 H new ATOM 176 N ALA A 14 -5.024 3.841 5.788 1.00 0.00 N ATOM 177 CA ALA A 14 -3.916 4.172 6.681 1.00 0.00 C ATOM 178 C ALA A 14 -4.335 5.239 7.687 1.00 0.00 C ATOM 179 O ALA A 14 -4.976 4.938 8.694 1.00 0.00 O ATOM 180 CB ALA A 14 -2.724 4.678 5.866 1.00 0.00 C ATOM 0 H ALA A 14 -5.722 4.578 5.685 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.631 3.271 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.901 4.923 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.405 3.903 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.016 5.569 5.310 1.00 0.00 H new ATOM 186 N ASN A 15 -3.965 6.485 7.408 1.00 0.00 N ATOM 187 CA ASN A 15 -4.299 7.594 8.296 1.00 0.00 C ATOM 188 C ASN A 15 -3.757 8.905 7.732 1.00 0.00 C ATOM 189 O ASN A 15 -4.353 9.498 6.833 1.00 0.00 O ATOM 190 CB ASN A 15 -3.703 7.348 9.687 1.00 0.00 C ATOM 191 CG ASN A 15 -2.262 6.861 9.563 1.00 0.00 C ATOM 192 OD1 ASN A 15 -1.939 6.098 8.654 1.00 0.00 O ATOM 193 ND2 ASN A 15 -1.373 7.260 10.432 1.00 0.00 N ATOM 0 H ASN A 15 -3.436 6.752 6.578 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.384 7.663 8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.735 8.267 10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.300 6.609 10.221 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.408 6.939 10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.644 7.893 11.185 1.00 0.00 H new ATOM 200 N ARG A 16 -2.623 9.351 8.266 1.00 0.00 N ATOM 201 CA ARG A 16 -2.009 10.591 7.809 1.00 0.00 C ATOM 202 C ARG A 16 -1.528 10.453 6.367 1.00 0.00 C ATOM 203 O ARG A 16 -2.272 9.994 5.499 1.00 0.00 O ATOM 204 CB ARG A 16 -0.833 10.962 8.723 1.00 0.00 C ATOM 205 CG ARG A 16 -1.190 10.656 10.190 1.00 0.00 C ATOM 206 CD ARG A 16 -0.407 11.583 11.125 1.00 0.00 C ATOM 207 NE ARG A 16 -1.011 12.911 11.135 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.501 13.893 11.871 1.00 0.00 C ATOM 209 NH1 ARG A 16 0.554 13.676 12.605 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.057 15.074 11.859 1.00 0.00 N ATOM 0 H ARG A 16 -2.114 8.875 9.011 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.756 11.383 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.056 10.402 8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.594 12.020 8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.261 10.787 10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.960 9.616 10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.398 11.171 12.134 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.631 11.649 10.799 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.839 13.089 10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.988 12.753 12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.946 14.429 13.170 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.883 15.243 11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.666 15.828 12.424 1.00 0.00 H new ATOM 224 N LYS A 17 -0.281 10.852 6.114 1.00 0.00 N ATOM 225 CA LYS A 17 0.292 10.770 4.770 1.00 0.00 C ATOM 226 C LYS A 17 1.682 10.145 4.811 1.00 0.00 C ATOM 227 O LYS A 17 2.458 10.386 5.737 1.00 0.00 O ATOM 228 CB LYS A 17 0.383 12.167 4.155 1.00 0.00 C ATOM 229 CG LYS A 17 1.228 13.075 5.051 1.00 0.00 C ATOM 230 CD LYS A 17 1.284 14.482 4.444 1.00 0.00 C ATOM 231 CE LYS A 17 2.429 15.273 5.081 1.00 0.00 C ATOM 232 NZ LYS A 17 2.254 16.723 4.787 1.00 0.00 N ATOM 0 H LYS A 17 0.350 11.234 6.819 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.358 10.142 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.826 12.108 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.616 12.587 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.800 13.116 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.235 12.670 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.429 14.418 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.338 14.997 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.444 15.109 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.386 14.925 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.032 17.261 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.260 16.872 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.347 17.050 5.178 1.00 0.00 H new ATOM 246 N ILE A 18 1.987 9.341 3.798 1.00 0.00 N ATOM 247 CA ILE A 18 3.284 8.680 3.711 1.00 0.00 C ATOM 248 C ILE A 18 4.332 9.684 3.197 1.00 0.00 C ATOM 249 O ILE A 18 4.039 10.464 2.290 1.00 0.00 O ATOM 250 CB ILE A 18 3.152 7.462 2.749 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.868 6.159 3.539 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.399 7.284 1.867 1.00 0.00 C ATOM 253 CD1 ILE A 18 4.096 5.681 4.340 1.00 0.00 C ATOM 0 H ILE A 18 1.354 9.131 3.026 1.00 0.00 H new ATOM 0 HA ILE A 18 3.606 8.325 4.690 1.00 0.00 H new ATOM 0 HB ILE A 18 2.307 7.669 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.034 6.325 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.562 5.376 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.262 6.423 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.548 8.179 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.272 7.124 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.847 4.765 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.923 5.488 3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.387 6.452 5.054 1.00 0.00 H new ATOM 265 N PRO A 19 5.540 9.686 3.727 1.00 0.00 N ATOM 266 CA PRO A 19 6.604 10.630 3.256 1.00 0.00 C ATOM 267 C PRO A 19 6.970 10.370 1.790 1.00 0.00 C ATOM 268 O PRO A 19 7.226 9.232 1.396 1.00 0.00 O ATOM 269 CB PRO A 19 7.784 10.350 4.206 1.00 0.00 C ATOM 270 CG PRO A 19 7.551 8.967 4.711 1.00 0.00 C ATOM 271 CD PRO A 19 6.039 8.819 4.816 1.00 0.00 C ATOM 0 HA PRO A 19 6.291 11.674 3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.738 10.424 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.812 11.070 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.971 8.226 4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.028 8.818 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.725 7.784 4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.669 9.141 5.789 1.00 0.00 H new ATOM 279 N LEU A 20 6.970 11.434 0.987 1.00 0.00 N ATOM 280 CA LEU A 20 7.277 11.316 -0.439 1.00 0.00 C ATOM 281 C LEU A 20 8.746 10.939 -0.672 1.00 0.00 C ATOM 282 O LEU A 20 9.088 10.378 -1.713 1.00 0.00 O ATOM 283 CB LEU A 20 6.957 12.647 -1.151 1.00 0.00 C ATOM 284 CG LEU A 20 5.486 12.671 -1.585 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.584 12.541 -0.359 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.184 13.989 -2.301 1.00 0.00 C ATOM 0 H LEU A 20 6.762 12.383 1.297 1.00 0.00 H new ATOM 0 HA LEU A 20 6.659 10.518 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.161 13.484 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.603 12.768 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 20 5.298 11.837 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.540 12.559 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.795 11.600 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.773 13.371 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.138 14.005 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.376 14.822 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.822 14.080 -3.180 1.00 0.00 H new ATOM 298 N GLN A 21 9.609 11.267 0.282 1.00 0.00 N ATOM 299 CA GLN A 21 11.035 10.973 0.143 1.00 0.00 C ATOM 300 C GLN A 21 11.306 9.467 0.103 1.00 0.00 C ATOM 301 O GLN A 21 12.281 9.025 -0.506 1.00 0.00 O ATOM 302 CB GLN A 21 11.810 11.602 1.306 1.00 0.00 C ATOM 303 CG GLN A 21 11.074 11.329 2.617 1.00 0.00 C ATOM 304 CD GLN A 21 11.964 11.695 3.800 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.114 12.093 3.613 1.00 0.00 O ATOM 306 NE2 GLN A 21 11.499 11.584 5.014 1.00 0.00 N ATOM 0 H GLN A 21 9.353 11.732 1.153 1.00 0.00 H new ATOM 0 HA GLN A 21 11.369 11.399 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.818 11.190 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.911 12.676 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.151 11.908 2.653 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.793 10.277 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.546 11.254 5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.088 11.827 5.810 1.00 0.00 H new ATOM 315 N ARG A 22 10.459 8.684 0.769 1.00 0.00 N ATOM 316 CA ARG A 22 10.640 7.228 0.816 1.00 0.00 C ATOM 317 C ARG A 22 9.766 6.521 -0.219 1.00 0.00 C ATOM 318 O ARG A 22 10.233 5.639 -0.940 1.00 0.00 O ATOM 319 CB ARG A 22 10.288 6.725 2.221 1.00 0.00 C ATOM 320 CG ARG A 22 11.359 7.200 3.234 1.00 0.00 C ATOM 321 CD ARG A 22 10.709 7.520 4.587 1.00 0.00 C ATOM 322 NE ARG A 22 11.708 7.474 5.649 1.00 0.00 N ATOM 323 CZ ARG A 22 12.672 8.387 5.725 1.00 0.00 C ATOM 324 NH1 ARG A 22 12.735 9.345 4.841 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.557 8.323 6.682 1.00 0.00 N ATOM 0 H ARG A 22 9.646 9.026 1.281 1.00 0.00 H new ATOM 0 HA ARG A 22 11.681 7.002 0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.307 7.097 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.230 5.637 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.117 6.427 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.867 8.084 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.249 8.508 4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.913 6.805 4.795 1.00 0.00 H new ATOM 0 HE ARG A 22 11.666 6.729 6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.045 9.394 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.474 10.045 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.509 7.573 7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.296 9.023 6.740 1.00 0.00 H new ATOM 339 N LEU A 23 8.496 6.911 -0.280 1.00 0.00 N ATOM 340 CA LEU A 23 7.545 6.315 -1.223 1.00 0.00 C ATOM 341 C LEU A 23 8.228 6.029 -2.569 1.00 0.00 C ATOM 342 O LEU A 23 9.009 6.841 -3.064 1.00 0.00 O ATOM 343 CB LEU A 23 6.344 7.285 -1.359 1.00 0.00 C ATOM 344 CG LEU A 23 5.616 7.202 -2.722 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.470 7.824 -3.857 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.215 5.740 -3.050 1.00 0.00 C ATOM 0 H LEU A 23 8.097 7.639 0.313 1.00 0.00 H new ATOM 0 HA LEU A 23 7.183 5.353 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.629 7.074 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.696 8.306 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 23 4.700 7.788 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.930 7.750 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.665 8.873 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.416 7.288 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.705 5.710 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.109 5.118 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.548 5.363 -2.275 1.00 0.00 H new ATOM 358 N GLU A 24 7.944 4.854 -3.143 1.00 0.00 N ATOM 359 CA GLU A 24 8.545 4.451 -4.424 1.00 0.00 C ATOM 360 C GLU A 24 7.516 4.499 -5.555 1.00 0.00 C ATOM 361 O GLU A 24 7.674 5.251 -6.515 1.00 0.00 O ATOM 362 CB GLU A 24 9.101 3.031 -4.306 1.00 0.00 C ATOM 363 CG GLU A 24 9.643 2.576 -5.663 1.00 0.00 C ATOM 364 CD GLU A 24 10.508 1.332 -5.489 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.945 0.257 -5.362 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.720 1.472 -5.487 1.00 0.00 O ATOM 0 H GLU A 24 7.305 4.167 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 24 9.349 5.149 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.894 3.001 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.319 2.351 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.817 2.362 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.229 3.376 -6.117 1.00 0.00 H new ATOM 373 N SER A 25 6.462 3.693 -5.428 1.00 0.00 N ATOM 374 CA SER A 25 5.403 3.648 -6.439 1.00 0.00 C ATOM 375 C SER A 25 4.070 3.276 -5.792 1.00 0.00 C ATOM 376 O SER A 25 3.995 3.099 -4.576 1.00 0.00 O ATOM 377 CB SER A 25 5.754 2.622 -7.516 1.00 0.00 C ATOM 378 OG SER A 25 4.580 2.290 -8.248 1.00 0.00 O ATOM 0 H SER A 25 6.318 3.064 -4.638 1.00 0.00 H new ATOM 0 HA SER A 25 5.314 4.634 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.513 3.026 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.177 1.727 -7.059 1.00 0.00 H new ATOM 0 HG SER A 25 4.759 1.513 -8.818 1.00 0.00 H new ATOM 384 N TYR A 26 3.016 3.153 -6.608 1.00 0.00 N ATOM 385 CA TYR A 26 1.685 2.792 -6.096 1.00 0.00 C ATOM 386 C TYR A 26 1.117 1.597 -6.862 1.00 0.00 C ATOM 387 O TYR A 26 1.546 1.299 -7.977 1.00 0.00 O ATOM 388 CB TYR A 26 0.727 3.988 -6.204 1.00 0.00 C ATOM 389 CG TYR A 26 0.341 4.223 -7.645 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.177 4.970 -8.481 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.853 3.691 -8.142 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.820 5.188 -9.816 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.212 3.907 -9.478 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.376 4.657 -10.316 1.00 0.00 C ATOM 395 OH TYR A 26 -0.729 4.870 -11.632 1.00 0.00 O ATOM 0 H TYR A 26 3.056 3.296 -7.617 1.00 0.00 H new ATOM 0 HA TYR A 26 1.788 2.515 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.166 3.802 -5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.202 4.881 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.099 5.379 -8.096 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.498 3.114 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.466 5.765 -10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.133 3.495 -9.863 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.586 4.433 -11.816 1.00 0.00 H new ATOM 405 N ARG A 27 0.150 0.912 -6.248 1.00 0.00 N ATOM 406 CA ARG A 27 -0.477 -0.256 -6.871 1.00 0.00 C ATOM 407 C ARG A 27 -1.917 -0.403 -6.373 1.00 0.00 C ATOM 408 O ARG A 27 -2.180 -0.307 -5.174 1.00 0.00 O ATOM 409 CB ARG A 27 0.345 -1.517 -6.534 1.00 0.00 C ATOM 410 CG ARG A 27 0.265 -2.542 -7.679 1.00 0.00 C ATOM 411 CD ARG A 27 -1.175 -3.041 -7.849 1.00 0.00 C ATOM 412 NE ARG A 27 -1.176 -4.370 -8.451 1.00 0.00 N ATOM 413 CZ ARG A 27 -0.810 -5.440 -7.754 1.00 0.00 C ATOM 414 NH1 ARG A 27 -0.442 -5.313 -6.509 1.00 0.00 N ATOM 415 NH2 ARG A 27 -0.821 -6.619 -8.315 1.00 0.00 N ATOM 0 H ARG A 27 -0.215 1.144 -5.324 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.500 -0.126 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.385 -1.242 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.028 -1.964 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.611 -2.088 -8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.926 -3.383 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.675 -3.071 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.737 -2.349 -8.476 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.463 -4.479 -9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.435 -4.392 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.161 -6.135 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.111 -6.718 -9.288 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.540 -7.441 -7.780 1.00 0.00 H new ATOM 429 N ARG A 28 -2.846 -0.617 -7.301 1.00 0.00 N ATOM 430 CA ARG A 28 -4.261 -0.753 -6.952 1.00 0.00 C ATOM 431 C ARG A 28 -4.600 -2.181 -6.521 1.00 0.00 C ATOM 432 O ARG A 28 -4.011 -3.147 -7.007 1.00 0.00 O ATOM 433 CB ARG A 28 -5.124 -0.344 -8.162 1.00 0.00 C ATOM 434 CG ARG A 28 -6.409 0.348 -7.693 1.00 0.00 C ATOM 435 CD ARG A 28 -7.356 0.517 -8.881 1.00 0.00 C ATOM 436 NE ARG A 28 -6.603 0.856 -10.084 1.00 0.00 N ATOM 437 CZ ARG A 28 -6.050 2.054 -10.232 1.00 0.00 C ATOM 438 NH1 ARG A 28 -6.175 2.951 -9.293 1.00 0.00 N ATOM 439 NH2 ARG A 28 -5.381 2.335 -11.317 1.00 0.00 N ATOM 0 H ARG A 28 -2.647 -0.700 -8.298 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.472 -0.098 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.559 0.326 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.373 -1.225 -8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.889 -0.242 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.174 1.320 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.917 -0.404 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.084 1.300 -8.666 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.500 0.161 -10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.698 2.732 -8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.750 3.871 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.283 1.634 -12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.956 3.255 -11.430 1.00 0.00 H new ATOM 453 N ILE A 29 -5.570 -2.300 -5.607 1.00 0.00 N ATOM 454 CA ILE A 29 -6.013 -3.609 -5.105 1.00 0.00 C ATOM 455 C ILE A 29 -7.417 -3.911 -5.637 1.00 0.00 C ATOM 456 O ILE A 29 -8.390 -3.269 -5.240 1.00 0.00 O ATOM 457 CB ILE A 29 -6.012 -3.632 -3.543 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.672 -2.231 -3.013 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.970 -4.637 -3.028 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.817 -2.168 -1.483 1.00 0.00 C ATOM 0 H ILE A 29 -6.064 -1.506 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.320 -4.374 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.999 -3.932 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.652 -1.969 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.330 -1.495 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.979 -4.644 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.211 -5.633 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.980 -4.348 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.570 -1.165 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.844 -2.406 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.140 -2.888 -1.023 1.00 0.00 H new ATOM 472 N THR A 30 -7.512 -4.889 -6.534 1.00 0.00 N ATOM 473 CA THR A 30 -8.802 -5.268 -7.114 1.00 0.00 C ATOM 474 C THR A 30 -8.835 -6.765 -7.403 1.00 0.00 C ATOM 475 O THR A 30 -9.788 -7.456 -7.041 1.00 0.00 O ATOM 476 CB THR A 30 -9.039 -4.494 -8.413 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.182 -5.001 -9.427 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.745 -3.010 -8.188 1.00 0.00 C ATOM 0 H THR A 30 -6.718 -5.432 -6.875 1.00 0.00 H new ATOM 0 HA THR A 30 -9.587 -5.026 -6.398 1.00 0.00 H new ATOM 0 HB THR A 30 -10.078 -4.612 -8.722 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.334 -4.508 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.914 -2.461 -9.114 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.404 -2.622 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.707 -2.888 -7.878 1.00 0.00 H new ATOM 486 N SER A 31 -7.788 -7.261 -8.054 1.00 0.00 N ATOM 487 CA SER A 31 -7.709 -8.680 -8.385 1.00 0.00 C ATOM 488 C SER A 31 -8.071 -9.533 -7.175 1.00 0.00 C ATOM 489 O SER A 31 -8.830 -10.496 -7.285 1.00 0.00 O ATOM 490 CB SER A 31 -6.296 -9.028 -8.853 1.00 0.00 C ATOM 491 OG SER A 31 -5.384 -8.829 -7.782 1.00 0.00 O ATOM 0 H SER A 31 -6.988 -6.707 -8.361 1.00 0.00 H new ATOM 0 HA SER A 31 -8.418 -8.888 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.257 -10.064 -9.191 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.018 -8.405 -9.703 1.00 0.00 H new ATOM 0 HG SER A 31 -4.477 -9.053 -8.079 1.00 0.00 H new ATOM 497 N GLY A 32 -7.523 -9.174 -6.018 1.00 0.00 N ATOM 498 CA GLY A 32 -7.795 -9.913 -4.792 1.00 0.00 C ATOM 499 C GLY A 32 -9.147 -9.517 -4.205 1.00 0.00 C ATOM 500 O GLY A 32 -10.195 -9.853 -4.756 1.00 0.00 O ATOM 0 H GLY A 32 -6.892 -8.381 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.783 -10.983 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.007 -9.720 -4.064 1.00 0.00 H new ATOM 504 N LYS A 33 -9.114 -8.798 -3.086 1.00 0.00 N ATOM 505 CA LYS A 33 -10.341 -8.356 -2.427 1.00 0.00 C ATOM 506 C LYS A 33 -10.090 -7.078 -1.634 1.00 0.00 C ATOM 507 O LYS A 33 -10.443 -5.984 -2.076 1.00 0.00 O ATOM 508 CB LYS A 33 -10.852 -9.448 -1.485 1.00 0.00 C ATOM 509 CG LYS A 33 -11.254 -10.684 -2.294 1.00 0.00 C ATOM 510 CD LYS A 33 -12.083 -11.623 -1.416 1.00 0.00 C ATOM 511 CE LYS A 33 -12.471 -12.865 -2.220 1.00 0.00 C ATOM 512 NZ LYS A 33 -13.249 -13.796 -1.355 1.00 0.00 N ATOM 0 H LYS A 33 -8.255 -8.510 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.091 -8.157 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.078 -9.710 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.706 -9.080 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.830 -10.386 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.364 -11.199 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.512 -11.912 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.978 -11.111 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.064 -12.578 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.576 -13.362 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.512 -14.640 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.669 -14.079 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.110 -13.319 -1.018 1.00 0.00 H new ATOM 526 N CYS A 34 -9.479 -7.228 -0.461 1.00 0.00 N ATOM 527 CA CYS A 34 -9.179 -6.085 0.398 1.00 0.00 C ATOM 528 C CYS A 34 -10.465 -5.317 0.734 1.00 0.00 C ATOM 529 O CYS A 34 -11.421 -5.336 -0.041 1.00 0.00 O ATOM 530 CB CYS A 34 -8.172 -5.161 -0.300 1.00 0.00 C ATOM 531 SG CYS A 34 -6.502 -5.829 -0.090 1.00 0.00 S ATOM 0 H CYS A 34 -9.182 -8.128 -0.084 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.742 -6.447 1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.412 -5.077 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.230 -4.157 0.120 1.00 0.00 H new ATOM 536 N PRO A 35 -10.513 -4.649 1.866 1.00 0.00 N ATOM 537 CA PRO A 35 -11.714 -3.874 2.287 1.00 0.00 C ATOM 538 C PRO A 35 -12.443 -3.220 1.114 1.00 0.00 C ATOM 539 O PRO A 35 -13.634 -3.454 0.910 1.00 0.00 O ATOM 540 CB PRO A 35 -11.124 -2.827 3.229 1.00 0.00 C ATOM 541 CG PRO A 35 -9.977 -3.525 3.894 1.00 0.00 C ATOM 542 CD PRO A 35 -9.440 -4.550 2.877 1.00 0.00 C ATOM 0 HA PRO A 35 -12.474 -4.505 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.789 -1.945 2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.860 -2.490 3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.200 -2.814 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.302 -4.020 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.502 -4.217 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.245 -5.514 3.347 1.00 0.00 H new ATOM 550 N GLN A 36 -11.729 -2.398 0.348 1.00 0.00 N ATOM 551 CA GLN A 36 -12.343 -1.724 -0.792 1.00 0.00 C ATOM 552 C GLN A 36 -11.288 -1.199 -1.762 1.00 0.00 C ATOM 553 O GLN A 36 -10.133 -0.988 -1.392 1.00 0.00 O ATOM 554 CB GLN A 36 -13.208 -0.561 -0.303 1.00 0.00 C ATOM 555 CG GLN A 36 -12.365 0.377 0.569 1.00 0.00 C ATOM 556 CD GLN A 36 -13.262 1.416 1.233 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.363 1.686 0.752 1.00 0.00 O ATOM 558 NE2 GLN A 36 -12.856 2.016 2.318 1.00 0.00 N ATOM 0 H GLN A 36 -10.742 -2.185 0.492 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.961 -2.451 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.615 -0.015 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.056 -0.940 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.835 -0.197 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.609 0.873 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.944 1.791 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.451 2.710 2.770 1.00 0.00 H new ATOM 567 N LYS A 37 -11.707 -0.984 -3.006 1.00 0.00 N ATOM 568 CA LYS A 37 -10.814 -0.473 -4.042 1.00 0.00 C ATOM 569 C LYS A 37 -9.969 0.677 -3.497 1.00 0.00 C ATOM 570 O LYS A 37 -10.497 1.602 -2.877 1.00 0.00 O ATOM 571 CB LYS A 37 -11.652 0.015 -5.228 1.00 0.00 C ATOM 572 CG LYS A 37 -10.762 0.262 -6.449 1.00 0.00 C ATOM 573 CD LYS A 37 -11.651 0.445 -7.685 1.00 0.00 C ATOM 574 CE LYS A 37 -10.832 1.036 -8.834 1.00 0.00 C ATOM 575 NZ LYS A 37 -11.743 1.400 -9.955 1.00 0.00 N ATOM 0 H LYS A 37 -12.662 -1.156 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.145 -1.270 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.415 -0.725 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.173 0.934 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.146 1.148 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.082 -0.577 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.074 -0.514 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.488 1.102 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.288 1.917 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.089 0.315 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.188 1.802 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.243 0.550 -10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.436 2.102 -9.625 1.00 0.00 H new ATOM 589 N ALA A 38 -8.658 0.615 -3.720 1.00 0.00 N ATOM 590 CA ALA A 38 -7.768 1.663 -3.230 1.00 0.00 C ATOM 591 C ALA A 38 -6.372 1.533 -3.839 1.00 0.00 C ATOM 592 O ALA A 38 -6.063 0.548 -4.506 1.00 0.00 O ATOM 593 CB ALA A 38 -7.679 1.586 -1.701 1.00 0.00 C ATOM 0 H ALA A 38 -8.195 -0.138 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.177 2.629 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.014 2.369 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.671 1.723 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.288 0.612 -1.408 1.00 0.00 H new ATOM 599 N VAL A 39 -5.525 2.541 -3.598 1.00 0.00 N ATOM 600 CA VAL A 39 -4.152 2.535 -4.113 1.00 0.00 C ATOM 601 C VAL A 39 -3.173 2.242 -2.975 1.00 0.00 C ATOM 602 O VAL A 39 -3.334 2.745 -1.863 1.00 0.00 O ATOM 603 CB VAL A 39 -3.834 3.880 -4.778 1.00 0.00 C ATOM 604 CG1 VAL A 39 -5.020 4.306 -5.646 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.574 4.953 -3.718 1.00 0.00 C ATOM 0 H VAL A 39 -5.766 3.368 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.051 1.752 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.941 3.767 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.799 5.262 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.199 3.552 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.909 4.408 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.350 5.901 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.459 5.068 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.728 4.655 -3.099 1.00 0.00 H new ATOM 615 N ILE A 40 -2.175 1.398 -3.250 1.00 0.00 N ATOM 616 CA ILE A 40 -1.193 1.009 -2.229 1.00 0.00 C ATOM 617 C ILE A 40 0.181 1.621 -2.491 1.00 0.00 C ATOM 618 O ILE A 40 0.901 1.174 -3.380 1.00 0.00 O ATOM 619 CB ILE A 40 -1.064 -0.523 -2.213 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.353 -1.132 -1.667 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.113 -0.962 -1.331 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.362 -2.633 -1.951 1.00 0.00 C ATOM 0 H ILE A 40 -2.024 0.972 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.547 1.380 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.886 -0.867 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.428 -0.953 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.218 -0.657 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.185 -2.050 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.038 -0.536 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.047 -0.613 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.281 -3.071 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.307 -2.800 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.504 -3.100 -1.467 1.00 0.00 H new ATOM 634 N PHE A 41 0.560 2.613 -1.684 1.00 0.00 N ATOM 635 CA PHE A 41 1.877 3.230 -1.828 1.00 0.00 C ATOM 636 C PHE A 41 2.915 2.368 -1.123 1.00 0.00 C ATOM 637 O PHE A 41 2.832 2.149 0.086 1.00 0.00 O ATOM 638 CB PHE A 41 1.893 4.633 -1.215 1.00 0.00 C ATOM 639 CG PHE A 41 0.833 5.487 -1.865 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.001 5.939 -3.179 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.312 5.838 -1.147 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.021 6.739 -3.774 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.287 6.637 -1.738 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.125 7.090 -3.053 1.00 0.00 C ATOM 0 H PHE A 41 -0.016 3.000 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 41 2.108 3.310 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.716 4.573 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.874 5.088 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.888 5.670 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.441 5.490 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.149 7.086 -4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.171 6.908 -1.180 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.883 7.709 -3.509 1.00 0.00 H new ATOM 654 N LYS A 42 3.893 1.875 -1.879 1.00 0.00 N ATOM 655 CA LYS A 42 4.944 1.029 -1.311 1.00 0.00 C ATOM 656 C LYS A 42 6.258 1.795 -1.227 1.00 0.00 C ATOM 657 O LYS A 42 6.756 2.309 -2.229 1.00 0.00 O ATOM 658 CB LYS A 42 5.131 -0.220 -2.179 1.00 0.00 C ATOM 659 CG LYS A 42 5.523 0.188 -3.605 1.00 0.00 C ATOM 660 CD LYS A 42 5.250 -0.971 -4.570 1.00 0.00 C ATOM 661 CE LYS A 42 5.927 -2.241 -4.053 1.00 0.00 C ATOM 662 NZ LYS A 42 5.973 -3.259 -5.141 1.00 0.00 N ATOM 0 H LYS A 42 3.981 2.044 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 42 4.646 0.732 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.902 -0.860 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.209 -0.801 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.957 1.068 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.578 0.460 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.176 -1.133 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.625 -0.726 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.936 -2.014 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.380 -2.634 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.559 -4.150 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.431 -2.916 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.961 -3.422 -5.423 1.00 0.00 H new ATOM 676 N THR A 43 6.814 1.873 -0.019 1.00 0.00 N ATOM 677 CA THR A 43 8.077 2.582 0.204 1.00 0.00 C ATOM 678 C THR A 43 9.195 1.582 0.482 1.00 0.00 C ATOM 679 O THR A 43 8.974 0.371 0.479 1.00 0.00 O ATOM 680 CB THR A 43 7.942 3.545 1.399 1.00 0.00 C ATOM 681 OG1 THR A 43 8.453 2.920 2.567 1.00 0.00 O ATOM 682 CG2 THR A 43 6.471 3.909 1.629 1.00 0.00 C ATOM 0 H THR A 43 6.412 1.455 0.820 1.00 0.00 H new ATOM 0 HA THR A 43 8.318 3.154 -0.692 1.00 0.00 H new ATOM 0 HB THR A 43 8.504 4.453 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.780 2.957 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.393 4.590 2.477 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.072 4.392 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.900 3.004 1.837 1.00 0.00 H new ATOM 690 N LYS A 44 10.396 2.098 0.727 1.00 0.00 N ATOM 691 CA LYS A 44 11.545 1.244 1.013 1.00 0.00 C ATOM 692 C LYS A 44 11.585 0.879 2.494 1.00 0.00 C ATOM 693 O LYS A 44 12.588 0.363 2.988 1.00 0.00 O ATOM 694 CB LYS A 44 12.838 1.965 0.629 1.00 0.00 C ATOM 695 CG LYS A 44 12.933 3.287 1.395 1.00 0.00 C ATOM 696 CD LYS A 44 14.193 4.038 0.963 1.00 0.00 C ATOM 697 CE LYS A 44 14.373 5.281 1.836 1.00 0.00 C ATOM 698 NZ LYS A 44 15.712 5.881 1.578 1.00 0.00 N ATOM 0 H LYS A 44 10.599 3.098 0.733 1.00 0.00 H new ATOM 0 HA LYS A 44 11.450 0.330 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.699 1.337 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.857 2.152 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.050 3.896 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.960 3.097 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.064 3.389 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.116 4.326 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.590 6.007 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.279 5.015 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.834 6.726 2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.453 5.188 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.785 6.149 0.576 1.00 0.00 H new ATOM 712 N LEU A 45 10.491 1.151 3.201 1.00 0.00 N ATOM 713 CA LEU A 45 10.421 0.845 4.627 1.00 0.00 C ATOM 714 C LEU A 45 10.531 -0.669 4.843 1.00 0.00 C ATOM 715 O LEU A 45 11.636 -1.210 4.904 1.00 0.00 O ATOM 716 CB LEU A 45 9.100 1.397 5.223 1.00 0.00 C ATOM 717 CG LEU A 45 9.305 2.771 5.910 1.00 0.00 C ATOM 718 CD1 LEU A 45 10.279 2.645 7.102 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.824 3.817 4.900 1.00 0.00 C ATOM 0 H LEU A 45 9.649 1.578 2.815 1.00 0.00 H new ATOM 0 HA LEU A 45 11.254 1.325 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.357 1.494 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.703 0.685 5.947 1.00 0.00 H new ATOM 0 HG LEU A 45 8.339 3.107 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.409 3.621 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.873 1.944 7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.243 2.281 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.960 4.774 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.777 3.484 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.101 3.933 4.092 1.00 0.00 H new ATOM 731 N ALA A 46 9.390 -1.347 4.956 1.00 0.00 N ATOM 732 CA ALA A 46 9.400 -2.792 5.168 1.00 0.00 C ATOM 733 C ALA A 46 7.992 -3.381 5.077 1.00 0.00 C ATOM 734 O ALA A 46 7.788 -4.555 5.383 1.00 0.00 O ATOM 735 CB ALA A 46 9.996 -3.110 6.542 1.00 0.00 C ATOM 0 H ALA A 46 8.462 -0.927 4.905 1.00 0.00 H new ATOM 0 HA ALA A 46 10.010 -3.241 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.001 -4.189 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.017 -2.731 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.395 -2.636 7.318 1.00 0.00 H new ATOM 741 N LYS A 47 7.022 -2.569 4.661 1.00 0.00 N ATOM 742 CA LYS A 47 5.643 -3.047 4.543 1.00 0.00 C ATOM 743 C LYS A 47 4.851 -2.212 3.537 1.00 0.00 C ATOM 744 O LYS A 47 5.324 -1.182 3.057 1.00 0.00 O ATOM 745 CB LYS A 47 4.957 -3.042 5.930 1.00 0.00 C ATOM 746 CG LYS A 47 4.378 -1.656 6.285 1.00 0.00 C ATOM 747 CD LYS A 47 5.474 -0.582 6.241 1.00 0.00 C ATOM 748 CE LYS A 47 6.573 -0.898 7.265 1.00 0.00 C ATOM 749 NZ LYS A 47 5.968 -1.463 8.504 1.00 0.00 N ATOM 0 H LYS A 47 7.160 -1.592 4.403 1.00 0.00 H new ATOM 0 HA LYS A 47 5.666 -4.071 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.157 -3.782 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.678 -3.340 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.582 -1.399 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.932 -1.687 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.904 -0.532 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.042 0.396 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.283 -1.608 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.131 0.008 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.715 -1.642 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.282 -0.786 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.484 -2.355 8.278 1.00 0.00 H new ATOM 763 N ASP A 48 3.638 -2.672 3.224 1.00 0.00 N ATOM 764 CA ASP A 48 2.769 -1.976 2.273 1.00 0.00 C ATOM 765 C ASP A 48 1.772 -1.083 3.008 1.00 0.00 C ATOM 766 O ASP A 48 1.384 -1.369 4.141 1.00 0.00 O ATOM 767 CB ASP A 48 2.007 -2.996 1.424 1.00 0.00 C ATOM 768 CG ASP A 48 2.954 -4.096 0.956 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.114 -3.793 0.728 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.506 -5.224 0.833 1.00 0.00 O ATOM 0 H ASP A 48 3.235 -3.524 3.615 1.00 0.00 H new ATOM 0 HA ASP A 48 3.391 -1.354 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.192 -3.429 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.557 -2.501 0.563 1.00 0.00 H new ATOM 775 N ILE A 49 1.365 0.003 2.352 1.00 0.00 N ATOM 776 CA ILE A 49 0.411 0.952 2.937 1.00 0.00 C ATOM 777 C ILE A 49 -0.751 1.186 1.977 1.00 0.00 C ATOM 778 O ILE A 49 -0.539 1.465 0.802 1.00 0.00 O ATOM 779 CB ILE A 49 1.122 2.282 3.217 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.393 2.033 4.074 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.165 3.219 3.961 1.00 0.00 C ATOM 782 CD1 ILE A 49 3.627 1.889 3.172 1.00 0.00 C ATOM 0 H ILE A 49 1.680 0.250 1.414 1.00 0.00 H new ATOM 0 HA ILE A 49 0.023 0.540 3.869 1.00 0.00 H new ATOM 0 HB ILE A 49 1.420 2.741 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.538 2.859 4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.265 1.131 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.666 4.166 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.718 3.399 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.135 2.760 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.509 1.715 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.486 1.047 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.763 2.802 2.593 1.00 0.00 H new ATOM 794 N CYS A 50 -1.980 1.071 2.486 1.00 0.00 N ATOM 795 CA CYS A 50 -3.175 1.263 1.657 1.00 0.00 C ATOM 796 C CYS A 50 -3.753 2.659 1.862 1.00 0.00 C ATOM 797 O CYS A 50 -3.491 3.306 2.877 1.00 0.00 O ATOM 798 CB CYS A 50 -4.233 0.223 2.031 1.00 0.00 C ATOM 799 SG CYS A 50 -3.529 -1.436 1.867 1.00 0.00 S ATOM 0 H CYS A 50 -2.175 0.847 3.462 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.891 1.147 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.574 0.386 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.104 0.326 1.384 1.00 0.00 H new ATOM 804 N ALA A 51 -4.537 3.120 0.891 1.00 0.00 N ATOM 805 CA ALA A 51 -5.140 4.446 0.977 1.00 0.00 C ATOM 806 C ALA A 51 -6.191 4.633 -0.123 1.00 0.00 C ATOM 807 O ALA A 51 -5.956 4.299 -1.283 1.00 0.00 O ATOM 808 CB ALA A 51 -4.040 5.513 0.859 1.00 0.00 C ATOM 0 H ALA A 51 -4.768 2.601 0.044 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.640 4.550 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.487 6.505 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.322 5.386 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.530 5.406 -0.098 1.00 0.00 H new ATOM 814 N ASP A 52 -7.350 5.167 0.258 1.00 0.00 N ATOM 815 CA ASP A 52 -8.439 5.390 -0.693 1.00 0.00 C ATOM 816 C ASP A 52 -8.239 6.711 -1.460 1.00 0.00 C ATOM 817 O ASP A 52 -7.862 7.716 -0.858 1.00 0.00 O ATOM 818 CB ASP A 52 -9.766 5.439 0.075 1.00 0.00 C ATOM 819 CG ASP A 52 -10.941 5.203 -0.867 1.00 0.00 C ATOM 820 OD1 ASP A 52 -11.013 4.125 -1.435 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.752 6.103 -1.007 1.00 0.00 O ATOM 0 H ASP A 52 -7.559 5.453 1.215 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.449 4.574 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.766 4.684 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.874 6.407 0.564 1.00 0.00 H new ATOM 826 N PRO A 53 -8.482 6.748 -2.762 1.00 0.00 N ATOM 827 CA PRO A 53 -8.313 8.001 -3.565 1.00 0.00 C ATOM 828 C PRO A 53 -9.321 9.082 -3.175 1.00 0.00 C ATOM 829 O PRO A 53 -10.176 9.473 -3.969 1.00 0.00 O ATOM 830 CB PRO A 53 -8.494 7.539 -5.022 1.00 0.00 C ATOM 831 CG PRO A 53 -9.310 6.291 -4.935 1.00 0.00 C ATOM 832 CD PRO A 53 -8.931 5.625 -3.611 1.00 0.00 C ATOM 0 HA PRO A 53 -7.343 8.469 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.999 8.300 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.532 7.349 -5.498 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.375 6.520 -4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.102 5.630 -5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.780 5.105 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.141 4.887 -3.747 1.00 0.00 H new ATOM 840 N LYS A 54 -9.195 9.569 -1.943 1.00 0.00 N ATOM 841 CA LYS A 54 -10.073 10.621 -1.429 1.00 0.00 C ATOM 842 C LYS A 54 -9.248 11.630 -0.641 1.00 0.00 C ATOM 843 O LYS A 54 -9.428 12.841 -0.776 1.00 0.00 O ATOM 844 CB LYS A 54 -11.146 10.024 -0.510 1.00 0.00 C ATOM 845 CG LYS A 54 -11.993 8.988 -1.264 1.00 0.00 C ATOM 846 CD LYS A 54 -12.904 9.682 -2.287 1.00 0.00 C ATOM 847 CE LYS A 54 -14.021 8.725 -2.710 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.815 8.327 -1.512 1.00 0.00 N ATOM 0 H LYS A 54 -8.490 9.251 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.560 11.112 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.673 9.555 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.788 10.818 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.342 8.277 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.597 8.419 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.331 10.587 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.324 9.988 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.667 9.205 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.596 7.842 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.801 8.149 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.411 7.462 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.788 9.092 -0.808 1.00 0.00 H new ATOM 862 N LYS A 55 -8.335 11.117 0.177 1.00 0.00 N ATOM 863 CA LYS A 55 -7.472 11.973 0.983 1.00 0.00 C ATOM 864 C LYS A 55 -6.471 12.687 0.068 1.00 0.00 C ATOM 865 O LYS A 55 -5.973 12.108 -0.895 1.00 0.00 O ATOM 866 CB LYS A 55 -6.748 11.139 2.077 1.00 0.00 C ATOM 867 CG LYS A 55 -7.272 9.691 2.061 1.00 0.00 C ATOM 868 CD LYS A 55 -6.685 8.889 3.237 1.00 0.00 C ATOM 869 CE LYS A 55 -7.534 9.091 4.498 1.00 0.00 C ATOM 870 NZ LYS A 55 -8.940 8.678 4.224 1.00 0.00 N ATOM 0 H LYS A 55 -8.174 10.117 0.299 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.075 12.725 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.672 11.148 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.915 11.585 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.360 9.692 2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.006 9.213 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.649 7.830 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.660 9.207 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.126 8.505 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.504 10.136 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.397 8.392 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.461 9.476 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.944 7.878 3.560 1.00 0.00 H new ATOM 884 N LYS A 56 -6.220 13.956 0.357 1.00 0.00 N ATOM 885 CA LYS A 56 -5.319 14.768 -0.462 1.00 0.00 C ATOM 886 C LYS A 56 -3.991 14.073 -0.776 1.00 0.00 C ATOM 887 O LYS A 56 -3.623 13.945 -1.943 1.00 0.00 O ATOM 888 CB LYS A 56 -5.039 16.096 0.244 1.00 0.00 C ATOM 889 CG LYS A 56 -4.082 16.936 -0.608 1.00 0.00 C ATOM 890 CD LYS A 56 -4.088 18.384 -0.111 1.00 0.00 C ATOM 891 CE LYS A 56 -3.780 18.418 1.388 1.00 0.00 C ATOM 892 NZ LYS A 56 -3.382 19.799 1.781 1.00 0.00 N ATOM 0 H LYS A 56 -6.626 14.450 1.152 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.826 14.932 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.971 16.638 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.603 15.913 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.074 16.526 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.383 16.899 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.348 18.969 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.059 18.840 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.655 18.104 1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.979 17.717 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.172 19.823 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.536 20.082 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.160 20.457 1.572 1.00 0.00 H new ATOM 906 N TRP A 57 -3.249 13.665 0.251 1.00 0.00 N ATOM 907 CA TRP A 57 -1.948 13.042 0.017 1.00 0.00 C ATOM 908 C TRP A 57 -2.053 11.828 -0.901 1.00 0.00 C ATOM 909 O TRP A 57 -1.124 11.541 -1.655 1.00 0.00 O ATOM 910 CB TRP A 57 -1.276 12.650 1.336 1.00 0.00 C ATOM 911 CG TRP A 57 -1.938 11.451 1.938 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.037 11.488 2.722 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.553 10.046 1.837 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.354 10.200 3.111 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.471 9.276 2.589 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.510 9.370 1.172 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.360 7.888 2.680 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.396 7.974 1.262 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.318 7.234 2.015 1.00 0.00 C ATOM 0 H TRP A 57 -3.517 13.751 1.231 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.329 13.787 -0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.221 12.439 1.162 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.323 13.485 2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.580 12.379 3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.144 9.961 3.711 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.206 9.930 0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.074 7.322 3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.407 7.467 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.224 6.160 2.082 1.00 0.00 H new ATOM 930 N VAL A 58 -3.174 11.120 -0.856 1.00 0.00 N ATOM 931 CA VAL A 58 -3.332 9.957 -1.719 1.00 0.00 C ATOM 932 C VAL A 58 -3.344 10.394 -3.178 1.00 0.00 C ATOM 933 O VAL A 58 -2.566 9.896 -3.983 1.00 0.00 O ATOM 934 CB VAL A 58 -4.633 9.212 -1.400 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.842 8.072 -2.406 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.557 8.628 0.012 1.00 0.00 C ATOM 0 H VAL A 58 -3.968 11.323 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.492 9.285 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.467 9.911 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.768 7.547 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.901 8.483 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.005 7.376 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.483 8.099 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.718 7.935 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.416 9.434 0.732 1.00 0.00 H new ATOM 946 N GLN A 59 -4.233 11.324 -3.509 1.00 0.00 N ATOM 947 CA GLN A 59 -4.341 11.810 -4.880 1.00 0.00 C ATOM 948 C GLN A 59 -3.080 12.573 -5.291 1.00 0.00 C ATOM 949 O GLN A 59 -2.680 12.548 -6.454 1.00 0.00 O ATOM 950 CB GLN A 59 -5.577 12.721 -5.021 1.00 0.00 C ATOM 951 CG GLN A 59 -6.687 12.259 -4.057 1.00 0.00 C ATOM 952 CD GLN A 59 -8.059 12.681 -4.584 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.375 13.871 -4.609 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.892 11.771 -5.007 1.00 0.00 N ATOM 0 H GLN A 59 -4.885 11.754 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.451 10.949 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.304 13.754 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.942 12.696 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.651 11.176 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.522 12.689 -3.069 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.626 10.786 -4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.809 12.044 -5.360 1.00 0.00 H new ATOM 963 N ASP A 60 -2.472 13.261 -4.332 1.00 0.00 N ATOM 964 CA ASP A 60 -1.269 14.043 -4.604 1.00 0.00 C ATOM 965 C ASP A 60 -0.042 13.149 -4.770 1.00 0.00 C ATOM 966 O ASP A 60 0.818 13.415 -5.610 1.00 0.00 O ATOM 967 CB ASP A 60 -1.023 15.020 -3.456 1.00 0.00 C ATOM 968 CG ASP A 60 -0.006 16.075 -3.877 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.323 16.858 -4.757 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.077 16.085 -3.312 1.00 0.00 O ATOM 0 H ASP A 60 -2.789 13.294 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.427 14.584 -5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.959 15.499 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.659 14.481 -2.581 1.00 0.00 H new ATOM 975 N SER A 61 0.048 12.107 -3.953 1.00 0.00 N ATOM 976 CA SER A 61 1.193 11.205 -4.008 1.00 0.00 C ATOM 977 C SER A 61 1.369 10.597 -5.401 1.00 0.00 C ATOM 978 O SER A 61 2.462 10.649 -5.966 1.00 0.00 O ATOM 979 CB SER A 61 1.029 10.091 -2.975 1.00 0.00 C ATOM 980 OG SER A 61 1.067 10.654 -1.671 1.00 0.00 O ATOM 0 H SER A 61 -0.651 11.866 -3.250 1.00 0.00 H new ATOM 0 HA SER A 61 2.086 11.788 -3.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.085 9.570 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.823 9.353 -3.089 1.00 0.00 H new ATOM 0 HG SER A 61 0.287 11.232 -1.542 1.00 0.00 H new ATOM 986 N MET A 62 0.304 10.022 -5.956 1.00 0.00 N ATOM 987 CA MET A 62 0.398 9.419 -7.286 1.00 0.00 C ATOM 988 C MET A 62 0.665 10.490 -8.339 1.00 0.00 C ATOM 989 O MET A 62 1.426 10.270 -9.280 1.00 0.00 O ATOM 990 CB MET A 62 -0.885 8.652 -7.633 1.00 0.00 C ATOM 991 CG MET A 62 -2.114 9.478 -7.251 1.00 0.00 C ATOM 992 SD MET A 62 -3.552 8.881 -8.175 1.00 0.00 S ATOM 993 CE MET A 62 -4.138 7.689 -6.944 1.00 0.00 C ATOM 0 H MET A 62 -0.615 9.960 -5.518 1.00 0.00 H new ATOM 0 HA MET A 62 1.230 8.715 -7.277 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.906 8.427 -8.699 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.901 7.698 -7.106 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.299 9.401 -6.180 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.940 10.532 -7.469 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.026 7.182 -7.322 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.357 6.955 -6.748 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.385 8.212 -6.020 1.00 0.00 H new ATOM 1003 N LYS A 63 0.045 11.654 -8.169 1.00 0.00 N ATOM 1004 CA LYS A 63 0.242 12.750 -9.111 1.00 0.00 C ATOM 1005 C LYS A 63 1.715 13.137 -9.132 1.00 0.00 C ATOM 1006 O LYS A 63 2.294 13.383 -10.189 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.617 13.954 -8.700 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.294 15.172 -9.577 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.417 14.803 -11.063 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.592 16.074 -11.899 1.00 0.00 C ATOM 1011 NZ LYS A 63 -1.890 16.720 -11.556 1.00 0.00 N ATOM 0 H LYS A 63 -0.590 11.861 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.060 12.432 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.674 13.702 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.437 14.195 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.974 15.990 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.715 15.525 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.472 14.262 -11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.267 14.138 -11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.231 16.763 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.564 15.830 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.248 17.241 -12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.579 15.991 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.751 17.380 -10.764 1.00 0.00 H new ATOM 1025 N TYR A 64 2.315 13.171 -7.947 1.00 0.00 N ATOM 1026 CA TYR A 64 3.726 13.508 -7.818 1.00 0.00 C ATOM 1027 C TYR A 64 4.565 12.454 -8.547 1.00 0.00 C ATOM 1028 O TYR A 64 5.599 12.767 -9.137 1.00 0.00 O ATOM 1029 CB TYR A 64 4.081 13.600 -6.308 1.00 0.00 C ATOM 1030 CG TYR A 64 5.423 12.956 -5.998 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.570 13.360 -6.691 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.514 11.956 -5.019 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.806 12.768 -6.405 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.749 11.365 -4.733 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.896 11.771 -5.426 1.00 0.00 C ATOM 1036 OH TYR A 64 9.114 11.188 -5.144 1.00 0.00 O ATOM 0 H TYR A 64 1.846 12.969 -7.064 1.00 0.00 H new ATOM 0 HA TYR A 64 3.942 14.474 -8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.102 14.646 -6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.301 13.113 -5.722 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.502 14.129 -7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.629 11.642 -4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.691 13.081 -6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.818 10.596 -3.978 1.00 0.00 H new ATOM 0 HH TYR A 64 9.000 10.516 -4.439 1.00 0.00 H new ATOM 1046 N LEU A 65 4.104 11.209 -8.503 1.00 0.00 N ATOM 1047 CA LEU A 65 4.809 10.117 -9.163 1.00 0.00 C ATOM 1048 C LEU A 65 4.609 10.194 -10.673 1.00 0.00 C ATOM 1049 O LEU A 65 5.374 9.615 -11.443 1.00 0.00 O ATOM 1050 CB LEU A 65 4.298 8.766 -8.630 1.00 0.00 C ATOM 1051 CG LEU A 65 4.961 8.453 -7.266 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.041 7.548 -6.427 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.317 7.753 -7.494 1.00 0.00 C ATOM 0 H LEU A 65 3.250 10.932 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 65 5.874 10.205 -8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.214 8.795 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.524 7.974 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 65 5.125 9.387 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.516 7.334 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.091 8.054 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.863 6.615 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.780 7.535 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.159 6.823 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.971 8.406 -8.071 1.00 0.00 H new ATOM 1065 N ASP A 66 3.573 10.911 -11.086 1.00 0.00 N ATOM 1066 CA ASP A 66 3.273 11.060 -12.503 1.00 0.00 C ATOM 1067 C ASP A 66 4.296 11.971 -13.179 1.00 0.00 C ATOM 1068 O ASP A 66 4.625 11.789 -14.351 1.00 0.00 O ATOM 1069 CB ASP A 66 1.868 11.646 -12.667 1.00 0.00 C ATOM 1070 CG ASP A 66 1.330 11.353 -14.065 1.00 0.00 C ATOM 1071 OD1 ASP A 66 1.028 10.202 -14.334 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.228 12.285 -14.846 1.00 0.00 O ATOM 0 H ASP A 66 2.928 11.397 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 66 3.320 10.079 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.200 11.222 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.894 12.723 -12.498 1.00 0.00 H new ATOM 1077 N GLN A 67 4.789 12.952 -12.432 1.00 0.00 N ATOM 1078 CA GLN A 67 5.769 13.890 -12.969 1.00 0.00 C ATOM 1079 C GLN A 67 7.067 13.174 -13.332 1.00 0.00 C ATOM 1080 O GLN A 67 7.553 13.286 -14.457 1.00 0.00 O ATOM 1081 CB GLN A 67 6.057 14.984 -11.940 1.00 0.00 C ATOM 1082 CG GLN A 67 4.757 15.710 -11.592 1.00 0.00 C ATOM 1083 CD GLN A 67 4.296 16.550 -12.778 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.958 17.521 -13.145 1.00 0.00 O ATOM 1085 NE2 GLN A 67 3.195 16.234 -13.402 1.00 0.00 N ATOM 0 H GLN A 67 4.529 13.119 -11.460 1.00 0.00 H new ATOM 0 HA GLN A 67 5.356 14.337 -13.873 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.494 14.548 -11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.785 15.690 -12.338 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.986 14.986 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.909 16.348 -10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.648 15.429 -13.096 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.881 16.792 -14.196 1.00 0.00 H new ATOM 1094 N LYS A 68 7.627 12.444 -12.372 1.00 0.00 N ATOM 1095 CA LYS A 68 8.871 11.720 -12.607 1.00 0.00 C ATOM 1096 C LYS A 68 8.621 10.468 -13.444 1.00 0.00 C ATOM 1097 O LYS A 68 9.457 10.082 -14.261 1.00 0.00 O ATOM 1098 CB LYS A 68 9.518 11.332 -11.275 1.00 0.00 C ATOM 1099 CG LYS A 68 8.539 10.498 -10.442 1.00 0.00 C ATOM 1100 CD LYS A 68 9.002 10.466 -8.981 1.00 0.00 C ATOM 1101 CE LYS A 68 10.352 9.747 -8.878 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.442 10.676 -9.291 1.00 0.00 N ATOM 0 H LYS A 68 7.243 12.339 -11.433 1.00 0.00 H new ATOM 0 HA LYS A 68 9.546 12.376 -13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.430 10.764 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.804 12.229 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.537 10.923 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.482 9.484 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.091 11.482 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.260 9.956 -8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.518 9.406 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.354 8.861 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.767 10.427 -10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.084 11.653 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.236 10.598 -8.624 1.00 0.00 H new ATOM 1116 N SER A 69 7.467 9.841 -13.241 1.00 0.00 N ATOM 1117 CA SER A 69 7.124 8.637 -13.992 1.00 0.00 C ATOM 1118 C SER A 69 8.157 7.533 -13.750 1.00 0.00 C ATOM 1119 O SER A 69 9.099 7.385 -14.528 1.00 0.00 O ATOM 1120 CB SER A 69 7.073 8.961 -15.486 1.00 0.00 C ATOM 1121 OG SER A 69 6.381 10.188 -15.676 1.00 0.00 O ATOM 0 H SER A 69 6.760 10.142 -12.570 1.00 0.00 H new ATOM 0 HA SER A 69 6.149 8.286 -13.654 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.083 9.033 -15.889 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.571 8.159 -16.027 1.00 0.00 H new ATOM 0 HG SER A 69 5.746 10.323 -14.942 1.00 0.00 H new ATOM 1127 N PRO A 70 8.011 6.763 -12.696 1.00 0.00 N ATOM 1128 CA PRO A 70 8.964 5.666 -12.372 1.00 0.00 C ATOM 1129 C PRO A 70 8.659 4.389 -13.156 1.00 0.00 C ATOM 1130 O PRO A 70 9.305 3.359 -12.959 1.00 0.00 O ATOM 1131 CB PRO A 70 8.754 5.464 -10.871 1.00 0.00 C ATOM 1132 CG PRO A 70 7.311 5.792 -10.642 1.00 0.00 C ATOM 1133 CD PRO A 70 6.928 6.846 -11.697 1.00 0.00 C ATOM 0 HA PRO A 70 9.993 5.909 -12.637 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.979 4.440 -10.574 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.406 6.116 -10.289 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.691 4.901 -10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.156 6.178 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.957 6.630 -12.142 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.864 7.843 -11.260 1.00 0.00 H new ATOM 1141 N THR A 71 7.672 4.466 -14.042 1.00 0.00 N ATOM 1142 CA THR A 71 7.291 3.312 -14.849 1.00 0.00 C ATOM 1143 C THR A 71 7.170 2.065 -13.976 1.00 0.00 C ATOM 1144 O THR A 71 8.005 1.165 -14.044 1.00 0.00 O ATOM 1145 CB THR A 71 8.335 3.072 -15.942 1.00 0.00 C ATOM 1146 OG1 THR A 71 9.505 2.512 -15.361 1.00 0.00 O ATOM 1147 CG2 THR A 71 8.683 4.398 -16.618 1.00 0.00 C ATOM 0 H THR A 71 7.125 5.308 -14.219 1.00 0.00 H new ATOM 0 HA THR A 71 6.324 3.516 -15.309 1.00 0.00 H new ATOM 0 HB THR A 71 7.932 2.384 -16.685 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.324 2.270 -14.429 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.427 4.226 -17.396 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.785 4.826 -17.063 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.086 5.089 -15.878 1.00 0.00 H new ATOM 1155 N PRO A 72 6.148 2.001 -13.162 1.00 0.00 N ATOM 1156 CA PRO A 72 5.910 0.841 -12.255 1.00 0.00 C ATOM 1157 C PRO A 72 6.074 -0.498 -12.974 1.00 0.00 C ATOM 1158 O PRO A 72 5.521 -0.706 -14.053 1.00 0.00 O ATOM 1159 CB PRO A 72 4.465 1.051 -11.784 1.00 0.00 C ATOM 1160 CG PRO A 72 4.258 2.531 -11.842 1.00 0.00 C ATOM 1161 CD PRO A 72 5.104 3.032 -13.018 1.00 0.00 C ATOM 0 HA PRO A 72 6.627 0.800 -11.435 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.759 0.527 -12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.319 0.670 -10.773 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.205 2.772 -11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.567 3.005 -10.910 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.509 3.129 -13.926 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.535 4.012 -12.813 1.00 0.00 H new ATOM 1169 N LYS A 73 6.839 -1.399 -12.367 1.00 0.00 N ATOM 1170 CA LYS A 73 7.070 -2.713 -12.955 1.00 0.00 C ATOM 1171 C LYS A 73 5.744 -3.322 -13.426 1.00 0.00 C ATOM 1172 O LYS A 73 4.690 -3.021 -12.867 1.00 0.00 O ATOM 1173 CB LYS A 73 7.729 -3.633 -11.919 1.00 0.00 C ATOM 1174 CG LYS A 73 7.094 -3.391 -10.549 1.00 0.00 C ATOM 1175 CD LYS A 73 7.574 -4.462 -9.568 1.00 0.00 C ATOM 1176 CE LYS A 73 6.808 -4.329 -8.250 1.00 0.00 C ATOM 1177 NZ LYS A 73 6.816 -2.903 -7.813 1.00 0.00 N ATOM 0 H LYS A 73 7.307 -1.245 -11.474 1.00 0.00 H new ATOM 0 HA LYS A 73 7.732 -2.606 -13.815 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.604 -4.676 -12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.801 -3.440 -11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.362 -2.400 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.007 -3.418 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.419 -5.454 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.644 -4.355 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.783 -4.676 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.266 -4.957 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.290 -2.825 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.325 -2.328 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.838 -2.560 -7.729 1.00 0.00 H new ATOM 1191 N PRO A 74 5.769 -4.168 -14.432 1.00 0.00 N ATOM 1192 CA PRO A 74 4.530 -4.814 -14.960 1.00 0.00 C ATOM 1193 C PRO A 74 3.984 -5.868 -13.997 1.00 0.00 C ATOM 1194 O PRO A 74 2.921 -6.401 -14.273 1.00 0.00 O ATOM 1195 CB PRO A 74 4.991 -5.447 -16.281 1.00 0.00 C ATOM 1196 CG PRO A 74 6.446 -5.725 -16.079 1.00 0.00 C ATOM 1197 CD PRO A 74 6.967 -4.602 -15.179 1.00 0.00 C ATOM 1198 OXT PRO A 74 4.636 -6.125 -12.999 1.00 0.00 O ATOM 0 HA PRO A 74 3.712 -4.105 -15.091 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.439 -6.362 -16.496 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.829 -4.772 -17.122 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.597 -6.699 -15.614 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.977 -5.740 -17.031 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.750 -4.957 -14.509 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.392 -3.786 -15.763 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -12.176 11.323 6.101 1.00 0.00 N ATOM 1208 CA VAL B 208 -12.413 12.740 5.706 1.00 0.00 C ATOM 1209 C VAL B 208 -11.097 13.366 5.256 1.00 0.00 C ATOM 1210 O VAL B 208 -11.082 14.265 4.416 1.00 0.00 O ATOM 1211 CB VAL B 208 -12.976 13.512 6.900 1.00 0.00 C ATOM 1212 CG1 VAL B 208 -11.968 13.483 8.049 1.00 0.00 C ATOM 1213 CG2 VAL B 208 -13.240 14.962 6.491 1.00 0.00 C ATOM 0 HA VAL B 208 -13.128 12.779 4.884 1.00 0.00 H new ATOM 0 HB VAL B 208 -13.908 13.049 7.223 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -12.370 14.033 8.900 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -11.779 12.450 8.342 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -11.035 13.945 7.726 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -13.641 15.513 7.342 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -12.308 15.424 6.167 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -13.960 14.984 5.673 1.00 0.00 H new ATOM 1225 N GLU B 209 -9.994 12.884 5.822 1.00 0.00 N ATOM 1226 CA GLU B 209 -8.679 13.405 5.470 1.00 0.00 C ATOM 1227 C GLU B 209 -7.582 12.465 5.959 1.00 0.00 C ATOM 1228 O GLU B 209 -6.568 12.275 5.286 1.00 0.00 O ATOM 1229 CB GLU B 209 -8.482 14.789 6.092 1.00 0.00 C ATOM 1230 CG GLU B 209 -7.244 15.452 5.483 1.00 0.00 C ATOM 1231 CD GLU B 209 -7.522 15.841 4.035 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -8.376 16.685 3.822 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -6.875 15.288 3.160 1.00 0.00 O ATOM 0 H GLU B 209 -9.985 12.140 6.520 1.00 0.00 H new ATOM 0 HA GLU B 209 -8.618 13.483 4.384 1.00 0.00 H new ATOM 0 HB2 GLU B 209 -9.362 15.407 5.916 1.00 0.00 H new ATOM 0 HB3 GLU B 209 -8.366 14.701 7.172 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -6.973 16.336 6.060 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -6.396 14.769 5.529 1.00 0.00 H new ATOM 1240 N THR B 210 -7.791 11.878 7.133 1.00 0.00 N ATOM 1241 CA THR B 210 -6.812 10.958 7.702 1.00 0.00 C ATOM 1242 C THR B 210 -7.351 10.325 8.979 1.00 0.00 C ATOM 1243 O THR B 210 -8.461 10.632 9.414 1.00 0.00 O ATOM 1244 CB THR B 210 -5.512 11.704 8.011 1.00 0.00 C ATOM 1245 OG1 THR B 210 -4.772 10.977 8.981 1.00 0.00 O ATOM 1246 CG2 THR B 210 -5.837 13.097 8.554 1.00 0.00 C ATOM 0 H THR B 210 -8.623 12.021 7.706 1.00 0.00 H new ATOM 0 HA THR B 210 -6.616 10.171 6.974 1.00 0.00 H new ATOM 0 HB THR B 210 -4.922 11.801 7.099 1.00 0.00 H new ATOM 0 HG1 THR B 210 -4.124 11.572 9.412 1.00 0.00 H new ATOM 0 HG21 THR B 210 -4.910 13.627 8.774 1.00 0.00 H new ATOM 0 HG22 THR B 210 -6.406 13.654 7.810 1.00 0.00 H new ATOM 0 HG23 THR B 210 -6.426 13.004 9.466 1.00 0.00 H new ATOM 1254 N PHE B 211 -6.554 9.442 9.582 1.00 0.00 N ATOM 1255 CA PHE B 211 -6.952 8.766 10.820 1.00 0.00 C ATOM 1256 C PHE B 211 -5.779 8.707 11.797 1.00 0.00 C ATOM 1257 O PHE B 211 -5.463 7.650 12.342 1.00 0.00 O ATOM 1258 CB PHE B 211 -7.442 7.345 10.510 1.00 0.00 C ATOM 1259 CG PHE B 211 -8.281 7.365 9.252 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -9.431 8.161 9.196 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -7.911 6.593 8.141 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -10.209 8.188 8.033 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -8.691 6.619 6.979 1.00 0.00 C ATOM 1264 CZ PHE B 211 -9.838 7.418 6.926 1.00 0.00 C ATOM 0 H PHE B 211 -5.632 9.178 9.236 1.00 0.00 H new ATOM 0 HA PHE B 211 -7.763 9.333 11.278 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -6.592 6.675 10.382 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -8.028 6.961 11.345 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -9.718 8.755 10.051 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -7.024 5.978 8.182 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -11.096 8.803 7.990 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -8.408 6.023 6.124 1.00 0.00 H new ATOM 0 HZ PHE B 211 -10.438 7.440 6.028 1.00 0.00 H new ATOM 1274 N GLY B 212 -5.138 9.854 12.010 1.00 0.00 N ATOM 1275 CA GLY B 212 -3.999 9.930 12.923 1.00 0.00 C ATOM 1276 C GLY B 212 -3.770 11.367 13.383 1.00 0.00 C ATOM 1277 O GLY B 212 -4.590 12.248 13.123 1.00 0.00 O ATOM 0 H GLY B 212 -5.385 10.738 11.566 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -4.176 9.290 13.788 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -3.104 9.555 12.427 1.00 0.00 H new ATOM 1281 N THR B 213 -2.652 11.601 14.069 1.00 0.00 N ATOM 1282 CA THR B 213 -2.336 12.940 14.556 1.00 0.00 C ATOM 1283 C THR B 213 -0.967 12.969 15.230 1.00 0.00 C ATOM 1284 O THR B 213 -0.802 13.572 16.292 1.00 0.00 O ATOM 1285 CB THR B 213 -3.405 13.398 15.551 1.00 0.00 C ATOM 1286 OG1 THR B 213 -2.954 14.564 16.225 1.00 0.00 O ATOM 1287 CG2 THR B 213 -3.666 12.287 16.569 1.00 0.00 C ATOM 0 H THR B 213 -1.958 10.889 14.297 1.00 0.00 H new ATOM 0 HA THR B 213 -2.316 13.616 13.701 1.00 0.00 H new ATOM 0 HB THR B 213 -4.328 13.622 15.016 1.00 0.00 H new ATOM 0 HG1 THR B 213 -2.185 14.339 16.789 1.00 0.00 H new ATOM 0 HG21 THR B 213 -4.427 12.614 17.277 1.00 0.00 H new ATOM 0 HG22 THR B 213 -4.012 11.393 16.051 1.00 0.00 H new ATOM 0 HG23 THR B 213 -2.744 12.061 17.106 1.00 0.00 H new ATOM 1295 N THR B 214 0.014 12.321 14.609 1.00 0.00 N ATOM 1296 CA THR B 214 1.366 12.287 15.159 1.00 0.00 C ATOM 1297 C THR B 214 2.352 11.747 14.126 1.00 0.00 C ATOM 1298 O THR B 214 2.745 10.582 14.182 1.00 0.00 O ATOM 1299 CB THR B 214 1.401 11.400 16.407 1.00 0.00 C ATOM 1300 OG1 THR B 214 0.459 11.881 17.355 1.00 0.00 O ATOM 1301 CG2 THR B 214 2.803 11.429 17.018 1.00 0.00 C ATOM 0 H THR B 214 -0.100 11.815 13.731 1.00 0.00 H new ATOM 0 HA THR B 214 1.654 13.304 15.426 1.00 0.00 H new ATOM 0 HB THR B 214 1.149 10.376 16.132 1.00 0.00 H new ATOM 0 HG1 THR B 214 0.337 12.846 17.235 1.00 0.00 H new ATOM 0 HG21 THR B 214 2.826 10.797 17.906 1.00 0.00 H new ATOM 0 HG22 THR B 214 3.525 11.058 16.290 1.00 0.00 H new ATOM 0 HG23 THR B 214 3.059 12.452 17.294 1.00 0.00 H new ATOM 1309 N SER B 215 2.744 12.599 13.180 1.00 0.00 N ATOM 1310 CA SER B 215 3.682 12.195 12.134 1.00 0.00 C ATOM 1311 C SER B 215 3.361 10.787 11.640 1.00 0.00 C ATOM 1312 O SER B 215 2.244 10.299 11.814 1.00 0.00 O ATOM 1313 CB SER B 215 5.116 12.233 12.670 1.00 0.00 C ATOM 1314 OG SER B 215 5.300 13.419 13.432 1.00 0.00 O ATOM 0 H SER B 215 2.429 13.567 13.116 1.00 0.00 H new ATOM 0 HA SER B 215 3.587 12.892 11.302 1.00 0.00 H new ATOM 0 HB2 SER B 215 5.309 11.356 13.288 1.00 0.00 H new ATOM 0 HB3 SER B 215 5.826 12.204 11.844 1.00 0.00 H new ATOM 0 HG SER B 215 6.110 13.335 13.977 1.00 0.00 H new HETATM 1320 N TYS B 216 4.349 10.133 11.034 1.00 0.00 N HETATM 1321 CA TYS B 216 4.165 8.774 10.529 1.00 0.00 C HETATM 1322 CB TYS B 216 3.716 8.808 9.061 1.00 0.00 C HETATM 1323 CG TYS B 216 3.073 7.485 8.703 1.00 0.00 C HETATM 1324 CD1 TYS B 216 3.735 6.589 7.857 1.00 0.00 C HETATM 1325 CD2 TYS B 216 1.821 7.151 9.234 1.00 0.00 C HETATM 1326 CE1 TYS B 216 3.146 5.357 7.541 1.00 0.00 C HETATM 1327 CE2 TYS B 216 1.231 5.922 8.915 1.00 0.00 C HETATM 1328 CZ TYS B 216 1.894 5.025 8.070 1.00 0.00 C HETATM 1329 OH TYS B 216 1.314 3.816 7.760 1.00 0.00 O HETATM 1330 S TYS B 216 1.065 2.778 8.864 1.00 0.00 S HETATM 1331 O1 TYS B 216 -0.172 3.138 9.614 1.00 0.00 O HETATM 1332 O2 TYS B 216 0.901 1.429 8.251 1.00 0.00 O HETATM 1333 O3 TYS B 216 2.224 2.760 9.800 1.00 0.00 O HETATM 1334 C TYS B 216 5.465 7.985 10.662 1.00 0.00 C HETATM 1335 O TYS B 216 5.500 6.778 10.426 1.00 0.00 O HETATM 0 HO3 TYS B 216 3.043 2.552 9.303 1.00 0.00 H new HETATM 0 HE2 TYS B 216 0.255 5.664 9.325 1.00 0.00 H new HETATM 0 HE1 TYS B 216 3.663 4.658 6.884 1.00 0.00 H new HETATM 0 HD2 TYS B 216 1.306 7.848 9.895 1.00 0.00 H new HETATM 0 HD1 TYS B 216 4.709 6.849 7.443 1.00 0.00 H new HETATM 0 HB3 TYS B 216 3.010 9.623 8.904 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.571 8.997 8.412 1.00 0.00 H new HETATM 0 HA TYS B 216 3.392 8.283 11.120 1.00 0.00 H new HETATM 1344 N TYS B 217 6.525 8.680 11.059 1.00 0.00 N HETATM 1345 CA TYS B 217 7.826 8.048 11.245 1.00 0.00 C HETATM 1346 CB TYS B 217 8.479 7.737 9.883 1.00 0.00 C HETATM 1347 CG TYS B 217 7.929 6.440 9.317 1.00 0.00 C HETATM 1348 CD1 TYS B 217 8.119 5.235 10.010 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.231 6.441 8.099 1.00 0.00 C HETATM 1350 CE1 TYS B 217 7.612 4.039 9.490 1.00 0.00 C HETATM 1351 CE2 TYS B 217 6.727 5.240 7.580 1.00 0.00 C HETATM 1352 CZ TYS B 217 6.917 4.042 8.276 1.00 0.00 C HETATM 1353 OH TYS B 217 6.414 2.864 7.770 1.00 0.00 O HETATM 1354 S TYS B 217 5.169 2.229 8.406 1.00 0.00 S HETATM 1355 O1 TYS B 217 5.490 0.842 8.848 1.00 0.00 O HETATM 1356 O2 TYS B 217 4.743 3.039 9.581 1.00 0.00 O HETATM 1357 O3 TYS B 217 4.066 2.187 7.404 1.00 0.00 O HETATM 1358 C TYS B 217 8.733 8.968 12.062 1.00 0.00 C HETATM 1359 O TYS B 217 9.879 9.223 11.687 1.00 0.00 O HETATM 0 HO3 TYS B 217 3.525 1.383 7.547 1.00 0.00 H new HETATM 0 HE2 TYS B 217 6.187 5.240 6.633 1.00 0.00 H new HETATM 0 HE1 TYS B 217 7.759 3.104 10.031 1.00 0.00 H new HETATM 0 HD2 TYS B 217 7.081 7.375 7.557 1.00 0.00 H new HETATM 0 HD1 TYS B 217 8.662 5.230 10.955 1.00 0.00 H new HETATM 0 HB3 TYS B 217 8.290 8.554 9.187 1.00 0.00 H new HETATM 0 HB2 TYS B 217 9.560 7.661 10.000 1.00 0.00 H new HETATM 0 HA TYS B 217 7.686 7.109 11.781 1.00 0.00 H new ATOM 1368 N ASP B 218 8.214 9.462 13.183 1.00 0.00 N ATOM 1369 CA ASP B 218 8.988 10.349 14.046 1.00 0.00 C ATOM 1370 C ASP B 218 10.402 9.807 14.227 1.00 0.00 C ATOM 1371 O ASP B 218 11.374 10.422 13.791 1.00 0.00 O ATOM 1372 CB ASP B 218 8.309 10.477 15.411 1.00 0.00 C ATOM 1373 CG ASP B 218 7.002 11.250 15.272 1.00 0.00 C ATOM 1374 OD1 ASP B 218 7.062 12.421 14.938 1.00 0.00 O ATOM 1375 OD2 ASP B 218 5.959 10.659 15.502 1.00 0.00 O ATOM 0 H ASP B 218 7.269 9.265 13.513 1.00 0.00 H new ATOM 0 HA ASP B 218 9.040 11.332 13.577 1.00 0.00 H new ATOM 0 HB2 ASP B 218 8.114 9.487 15.824 1.00 0.00 H new ATOM 0 HB3 ASP B 218 8.971 10.989 16.109 1.00 0.00 H new ATOM 1380 N ASP B 219 10.503 8.643 14.863 1.00 0.00 N ATOM 1381 CA ASP B 219 11.799 8.012 15.087 1.00 0.00 C ATOM 1382 C ASP B 219 12.180 7.160 13.882 1.00 0.00 C ATOM 1383 O ASP B 219 11.711 6.032 13.734 1.00 0.00 O ATOM 1384 CB ASP B 219 11.746 7.132 16.336 1.00 0.00 C ATOM 1385 CG ASP B 219 11.010 7.860 17.455 1.00 0.00 C ATOM 1386 OD1 ASP B 219 11.534 8.852 17.935 1.00 0.00 O ATOM 1387 OD2 ASP B 219 9.933 7.415 17.817 1.00 0.00 O ATOM 0 H ASP B 219 9.708 8.121 15.230 1.00 0.00 H new ATOM 0 HA ASP B 219 12.547 8.792 15.228 1.00 0.00 H new ATOM 0 HB2 ASP B 219 11.241 6.193 16.108 1.00 0.00 H new ATOM 0 HB3 ASP B 219 12.757 6.881 16.657 1.00 0.00 H new ATOM 1392 N VAL B 220 13.028 7.708 13.022 1.00 0.00 N ATOM 1393 CA VAL B 220 13.459 6.989 11.830 1.00 0.00 C ATOM 1394 C VAL B 220 14.080 5.648 12.209 1.00 0.00 C ATOM 1395 O VAL B 220 14.412 4.842 11.341 1.00 0.00 O ATOM 1396 CB VAL B 220 14.467 7.841 11.053 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.557 7.349 9.606 1.00 0.00 C ATOM 1398 CG2 VAL B 220 14.007 9.302 11.069 1.00 0.00 C ATOM 0 H VAL B 220 13.429 8.640 13.125 1.00 0.00 H new ATOM 0 HA VAL B 220 12.591 6.796 11.199 1.00 0.00 H new ATOM 0 HB VAL B 220 15.449 7.758 11.519 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.275 7.959 9.058 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.881 6.308 9.595 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.578 7.429 9.133 1.00 0.00 H new ATOM 0 HG21 VAL B 220 14.720 9.914 10.517 1.00 0.00 H new ATOM 0 HG22 VAL B 220 13.025 9.379 10.602 1.00 0.00 H new ATOM 0 HG23 VAL B 220 13.948 9.653 12.099 1.00 0.00 H new ATOM 1408 N GLY B 221 14.217 5.412 13.512 1.00 0.00 N ATOM 1409 CA GLY B 221 14.779 4.155 14.007 1.00 0.00 C ATOM 1410 C GLY B 221 13.655 3.206 14.402 1.00 0.00 C ATOM 1411 O GLY B 221 13.889 2.149 14.988 1.00 0.00 O ATOM 0 H GLY B 221 13.948 6.071 14.243 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.401 3.696 13.238 1.00 0.00 H new ATOM 0 HA3 GLY B 221 15.423 4.347 14.865 1.00 0.00 H new ATOM 1415 N LEU B 222 12.429 3.604 14.073 1.00 0.00 N ATOM 1416 CA LEU B 222 11.251 2.805 14.390 1.00 0.00 C ATOM 1417 C LEU B 222 11.202 1.550 13.522 1.00 0.00 C ATOM 1418 O LEU B 222 11.055 0.438 14.029 1.00 0.00 O ATOM 1419 CB LEU B 222 9.991 3.651 14.163 1.00 0.00 C ATOM 1420 CG LEU B 222 8.725 2.792 14.291 1.00 0.00 C ATOM 1421 CD1 LEU B 222 8.744 2.025 15.619 1.00 0.00 C ATOM 1422 CD2 LEU B 222 7.498 3.706 14.244 1.00 0.00 C ATOM 0 H LEU B 222 12.226 4.477 13.586 1.00 0.00 H new ATOM 0 HA LEU B 222 11.302 2.495 15.434 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.959 4.464 14.888 1.00 0.00 H new ATOM 0 HB3 LEU B 222 10.028 4.107 13.174 1.00 0.00 H new ATOM 0 HG LEU B 222 8.686 2.075 13.470 1.00 0.00 H new ATOM 0 HD11 LEU B 222 7.842 1.418 15.702 1.00 0.00 H new ATOM 0 HD12 LEU B 222 9.621 1.378 15.653 1.00 0.00 H new ATOM 0 HD13 LEU B 222 8.782 2.733 16.447 1.00 0.00 H new ATOM 0 HD21 LEU B 222 6.593 3.105 14.334 1.00 0.00 H new ATOM 0 HD22 LEU B 222 7.544 4.419 15.067 1.00 0.00 H new ATOM 0 HD23 LEU B 222 7.482 4.246 13.297 1.00 0.00 H new ATOM 1434 N LEU B 223 11.315 1.738 12.212 1.00 0.00 N ATOM 1435 CA LEU B 223 11.273 0.616 11.281 1.00 0.00 C ATOM 1436 C LEU B 223 12.223 -0.496 11.722 1.00 0.00 C ATOM 1437 O LEU B 223 12.879 -0.322 12.737 1.00 0.00 O ATOM 1438 CB LEU B 223 11.624 1.094 9.863 1.00 0.00 C ATOM 1439 CG LEU B 223 13.136 1.322 9.721 1.00 0.00 C ATOM 1440 CD1 LEU B 223 13.419 1.989 8.374 1.00 0.00 C ATOM 1441 CD2 LEU B 223 13.627 2.231 10.852 1.00 0.00 C ATOM 1442 OXT LEU B 223 12.281 -1.505 11.039 1.00 0.00 O ATOM 0 H LEU B 223 11.436 2.651 11.772 1.00 0.00 H new ATOM 0 HA LEU B 223 10.261 0.211 11.276 1.00 0.00 H new ATOM 0 HB2 LEU B 223 11.293 0.355 9.133 1.00 0.00 H new ATOM 0 HB3 LEU B 223 11.090 2.019 9.644 1.00 0.00 H new ATOM 0 HG LEU B 223 13.656 0.366 9.775 1.00 0.00 H new ATOM 0 HD11 LEU B 223 14.491 2.153 8.268 1.00 0.00 H new ATOM 0 HD12 LEU B 223 13.069 1.344 7.568 1.00 0.00 H new ATOM 0 HD13 LEU B 223 12.899 2.946 8.325 1.00 0.00 H new ATOM 0 HD21 LEU B 223 14.700 2.392 10.750 1.00 0.00 H new ATOM 0 HD22 LEU B 223 13.110 3.189 10.799 1.00 0.00 H new ATOM 0 HD23 LEU B 223 13.421 1.760 11.813 1.00 0.00 H new TER 1454 LEU B 223