USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 18 TYR OH : rot -140:sc= 0.255 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.605 K(o=-0.35,f=-0.87) USER MOD Single : A 1 SER N :NH3+ -150:sc= 0.00369 (180deg=0) USER MOD Single : A 1 SER OG : rot 50:sc= 0.587 USER MOD Single : A 5 MET CE :methyl -160:sc= -0.144 (180deg=-0.65) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Single : A 26 THR OG1 : rot 127:sc= -0.358 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.41 K(o=-1.4,f=-11!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-3.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 59:sc= -0.101 USER MOD Single : A 58 GLN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.44 F(o=-2.7!,f=-1.4) USER MOD Single : A 76 THR OG1 : rot -64:sc= 0.0328 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -30.407 14.600 6.854 1.00 0.00 N ATOM 2 CA SER A 1 -30.016 13.175 6.697 1.00 0.00 C ATOM 3 C SER A 1 -28.628 13.056 6.069 1.00 0.00 C ATOM 4 O SER A 1 -28.503 12.803 4.870 1.00 0.00 O ATOM 5 CB SER A 1 -31.045 12.438 5.836 1.00 0.00 C ATOM 6 OG SER A 1 -31.190 13.060 4.569 1.00 0.00 O ATOM 0 H1 SER A 1 -31.036 14.699 7.676 1.00 0.00 H new ATOM 0 H2 SER A 1 -29.556 15.180 6.998 1.00 0.00 H new ATOM 0 H3 SER A 1 -30.903 14.920 5.998 1.00 0.00 H new ATOM 0 HA SER A 1 -29.985 12.719 7.687 1.00 0.00 H new ATOM 0 HB2 SER A 1 -30.736 11.401 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 1 -32.007 12.421 6.348 1.00 0.00 H new ATOM 0 HG SER A 1 -30.306 13.201 4.171 1.00 0.00 H new ATOM 11 N PRO A 2 -27.561 13.239 6.873 1.00 0.00 N ATOM 12 CA PRO A 2 -26.180 13.150 6.388 1.00 0.00 C ATOM 13 C PRO A 2 -25.879 11.801 5.743 1.00 0.00 C ATOM 14 O PRO A 2 -26.206 10.752 6.296 1.00 0.00 O ATOM 15 CB PRO A 2 -25.327 13.337 7.651 1.00 0.00 C ATOM 16 CG PRO A 2 -26.261 13.123 8.795 1.00 0.00 C ATOM 17 CD PRO A 2 -27.614 13.552 8.309 1.00 0.00 C ATOM 0 HA PRO A 2 -25.980 13.892 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -24.503 12.624 7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -24.887 14.334 7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -26.270 12.077 9.101 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -25.955 13.707 9.663 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -28.415 13.009 8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -27.789 14.613 8.485 1.00 0.00 H new ATOM 25 N ALA A 3 -25.254 11.839 4.570 1.00 0.00 N ATOM 26 CA ALA A 3 -24.905 10.622 3.848 1.00 0.00 C ATOM 27 C ALA A 3 -23.401 10.375 3.896 1.00 0.00 C ATOM 28 O ALA A 3 -22.649 10.911 3.081 1.00 0.00 O ATOM 29 CB ALA A 3 -25.383 10.708 2.407 1.00 0.00 C ATOM 0 H ALA A 3 -24.979 12.701 4.099 1.00 0.00 H new ATOM 0 HA ALA A 3 -25.403 9.782 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -25.116 9.792 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -26.466 10.834 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -24.911 11.560 1.917 1.00 0.00 H new ATOM 35 N ALA A 4 -22.968 9.561 4.854 1.00 0.00 N ATOM 36 CA ALA A 4 -21.552 9.250 5.011 1.00 0.00 C ATOM 37 C ALA A 4 -21.209 7.892 4.406 1.00 0.00 C ATOM 38 O ALA A 4 -20.077 7.666 3.976 1.00 0.00 O ATOM 39 CB ALA A 4 -21.172 9.284 6.482 1.00 0.00 C ATOM 0 H ALA A 4 -23.578 9.105 5.533 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.979 10.006 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.113 9.051 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.367 10.278 6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.763 8.548 7.028 1.00 0.00 H new ATOM 45 N MET A 5 -22.187 6.993 4.373 1.00 0.00 N ATOM 46 CA MET A 5 -21.979 5.658 3.823 1.00 0.00 C ATOM 47 C MET A 5 -22.731 5.497 2.512 1.00 0.00 C ATOM 48 O MET A 5 -22.302 4.771 1.615 1.00 0.00 O ATOM 49 CB MET A 5 -22.434 4.601 4.833 1.00 0.00 C ATOM 50 CG MET A 5 -23.917 4.263 4.765 1.00 0.00 C ATOM 51 SD MET A 5 -24.973 5.650 5.228 1.00 0.00 S ATOM 52 CE MET A 5 -24.518 5.871 6.947 1.00 0.00 C ATOM 0 H MET A 5 -23.131 7.164 4.720 1.00 0.00 H new ATOM 0 HA MET A 5 -20.916 5.523 3.625 1.00 0.00 H new ATOM 0 HB2 MET A 5 -21.858 3.690 4.671 1.00 0.00 H new ATOM 0 HB3 MET A 5 -22.199 4.952 5.838 1.00 0.00 H new ATOM 0 HG2 MET A 5 -24.166 3.945 3.753 1.00 0.00 H new ATOM 0 HG3 MET A 5 -24.123 3.420 5.424 1.00 0.00 H new ATOM 0 HE1 MET A 5 -25.303 6.425 7.463 1.00 0.00 H new ATOM 0 HE2 MET A 5 -24.392 4.896 7.418 1.00 0.00 H new ATOM 0 HE3 MET A 5 -23.582 6.427 7.007 1.00 0.00 H new ATOM 62 N GLU A 6 -23.862 6.183 2.421 1.00 0.00 N ATOM 63 CA GLU A 6 -24.703 6.139 1.229 1.00 0.00 C ATOM 64 C GLU A 6 -23.888 6.420 -0.036 1.00 0.00 C ATOM 65 O GLU A 6 -23.977 5.675 -1.012 1.00 0.00 O ATOM 66 CB GLU A 6 -25.848 7.143 1.363 1.00 0.00 C ATOM 67 CG GLU A 6 -26.739 6.889 2.567 1.00 0.00 C ATOM 68 CD GLU A 6 -28.075 7.598 2.465 1.00 0.00 C ATOM 69 OE1 GLU A 6 -28.992 7.047 1.819 1.00 0.00 O ATOM 70 OE2 GLU A 6 -28.206 8.703 3.031 1.00 0.00 O ATOM 0 H GLU A 6 -24.222 6.782 3.164 1.00 0.00 H new ATOM 0 HA GLU A 6 -25.118 5.135 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -25.433 8.148 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -26.455 7.112 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -26.908 5.817 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -26.225 7.218 3.470 1.00 0.00 H new ATOM 77 N ARG A 7 -23.094 7.493 -0.018 1.00 0.00 N ATOM 78 CA ARG A 7 -22.257 7.839 -1.161 1.00 0.00 C ATOM 79 C ARG A 7 -20.851 8.176 -0.713 1.00 0.00 C ATOM 80 O ARG A 7 -20.326 9.262 -0.956 1.00 0.00 O ATOM 81 CB ARG A 7 -22.850 8.981 -2.000 1.00 0.00 C ATOM 82 CG ARG A 7 -23.554 10.063 -1.193 1.00 0.00 C ATOM 83 CD ARG A 7 -22.599 10.828 -0.287 1.00 0.00 C ATOM 84 NE ARG A 7 -23.203 12.048 0.242 1.00 0.00 N ATOM 85 CZ ARG A 7 -22.515 13.000 0.867 1.00 0.00 C ATOM 86 NH1 ARG A 7 -21.203 12.877 1.030 1.00 0.00 N ATOM 87 NH2 ARG A 7 -23.136 14.076 1.328 1.00 0.00 N ATOM 0 H ARG A 7 -23.015 8.132 0.773 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.220 6.960 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -22.050 9.441 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -23.558 8.560 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -24.041 10.761 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -24.338 9.608 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -22.293 10.187 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -21.697 11.082 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 7 -24.208 12.177 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.720 12.051 0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.678 13.608 1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -24.144 14.176 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -22.606 14.805 1.807 1.00 0.00 H new ATOM 101 N GLN A 8 -20.259 7.200 -0.072 1.00 0.00 N ATOM 102 CA GLN A 8 -18.899 7.315 0.447 1.00 0.00 C ATOM 103 C GLN A 8 -17.930 7.757 -0.650 1.00 0.00 C ATOM 104 O GLN A 8 -18.047 7.336 -1.801 1.00 0.00 O ATOM 105 CB GLN A 8 -18.447 5.979 1.054 1.00 0.00 C ATOM 106 CG GLN A 8 -17.847 5.003 0.050 1.00 0.00 C ATOM 107 CD GLN A 8 -17.590 3.635 0.653 1.00 0.00 C ATOM 108 OE1 GLN A 8 -17.322 3.510 1.848 1.00 0.00 O ATOM 109 NE2 GLN A 8 -17.667 2.601 -0.175 1.00 0.00 N ATOM 0 H GLN A 8 -20.698 6.298 0.110 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.895 8.075 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.711 6.178 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.302 5.505 1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.521 4.901 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.911 5.410 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.892 2.751 -1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.501 1.656 0.172 1.00 0.00 H new ATOM 118 N VAL A 9 -16.981 8.615 -0.287 1.00 0.00 N ATOM 119 CA VAL A 9 -15.997 9.116 -1.239 1.00 0.00 C ATOM 120 C VAL A 9 -14.714 8.283 -1.188 1.00 0.00 C ATOM 121 O VAL A 9 -14.403 7.675 -0.163 1.00 0.00 O ATOM 122 CB VAL A 9 -15.677 10.610 -0.976 1.00 0.00 C ATOM 123 CG1 VAL A 9 -14.196 10.835 -0.687 1.00 0.00 C ATOM 124 CG2 VAL A 9 -16.130 11.466 -2.151 1.00 0.00 C ATOM 0 H VAL A 9 -16.873 8.978 0.660 1.00 0.00 H new ATOM 0 HA VAL A 9 -16.428 9.028 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.230 10.911 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.017 11.895 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.907 10.265 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.604 10.506 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.898 12.512 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.612 11.147 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.205 11.353 -2.290 1.00 0.00 H new ATOM 134 N PRO A 10 -13.958 8.242 -2.304 1.00 0.00 N ATOM 135 CA PRO A 10 -12.706 7.487 -2.390 1.00 0.00 C ATOM 136 C PRO A 10 -11.819 7.675 -1.165 1.00 0.00 C ATOM 137 O PRO A 10 -11.445 8.797 -0.822 1.00 0.00 O ATOM 138 CB PRO A 10 -12.030 8.073 -3.624 1.00 0.00 C ATOM 139 CG PRO A 10 -13.154 8.525 -4.495 1.00 0.00 C ATOM 140 CD PRO A 10 -14.272 8.933 -3.570 1.00 0.00 C ATOM 0 HA PRO A 10 -12.885 6.413 -2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.375 8.904 -3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.413 7.329 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.846 9.360 -5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.474 7.725 -5.162 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.305 10.014 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.244 8.630 -3.960 1.00 0.00 H new ATOM 148 N TYR A 11 -11.493 6.567 -0.508 1.00 0.00 N ATOM 149 CA TYR A 11 -10.652 6.593 0.679 1.00 0.00 C ATOM 150 C TYR A 11 -9.333 7.308 0.401 1.00 0.00 C ATOM 151 O TYR A 11 -8.813 7.260 -0.714 1.00 0.00 O ATOM 152 CB TYR A 11 -10.382 5.167 1.160 1.00 0.00 C ATOM 153 CG TYR A 11 -9.899 5.093 2.587 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.685 5.567 3.628 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.660 4.549 2.895 1.00 0.00 C ATOM 156 CE1 TYR A 11 -10.252 5.503 4.935 1.00 0.00 C ATOM 157 CE2 TYR A 11 -8.218 4.480 4.202 1.00 0.00 C ATOM 158 CZ TYR A 11 -9.017 4.959 5.219 1.00 0.00 C ATOM 159 OH TYR A 11 -8.582 4.892 6.523 1.00 0.00 O ATOM 0 H TYR A 11 -11.802 5.634 -0.782 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.180 7.143 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.296 4.581 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.638 4.707 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.653 5.994 3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.032 4.174 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.877 5.877 5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.252 4.053 4.426 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.693 4.481 6.551 1.00 0.00 H new ATOM 169 N THR A 12 -8.800 7.968 1.422 1.00 0.00 N ATOM 170 CA THR A 12 -7.544 8.697 1.293 1.00 0.00 C ATOM 171 C THR A 12 -6.348 7.779 1.547 1.00 0.00 C ATOM 172 O THR A 12 -6.168 7.288 2.662 1.00 0.00 O ATOM 173 CB THR A 12 -7.488 9.881 2.278 1.00 0.00 C ATOM 174 OG1 THR A 12 -8.656 10.697 2.131 1.00 0.00 O ATOM 175 CG2 THR A 12 -6.244 10.726 2.044 1.00 0.00 C ATOM 0 H THR A 12 -9.219 8.013 2.351 1.00 0.00 H new ATOM 0 HA THR A 12 -7.495 9.076 0.272 1.00 0.00 H new ATOM 0 HB THR A 12 -7.449 9.478 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.613 11.446 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.229 11.555 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.355 10.111 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.256 11.118 1.027 1.00 0.00 H new ATOM 183 N PRO A 13 -5.517 7.524 0.513 1.00 0.00 N ATOM 184 CA PRO A 13 -4.330 6.667 0.634 1.00 0.00 C ATOM 185 C PRO A 13 -3.407 7.071 1.778 1.00 0.00 C ATOM 186 O PRO A 13 -3.697 8.005 2.523 1.00 0.00 O ATOM 187 CB PRO A 13 -3.625 6.829 -0.710 1.00 0.00 C ATOM 188 CG PRO A 13 -4.721 7.161 -1.653 1.00 0.00 C ATOM 189 CD PRO A 13 -5.668 8.032 -0.868 1.00 0.00 C ATOM 0 HA PRO A 13 -4.609 5.639 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.876 7.620 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.110 5.914 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.341 7.684 -2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.219 6.260 -2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.402 9.087 -0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.694 7.936 -1.224 1.00 0.00 H new ATOM 197 N CYS A 14 -2.311 6.323 1.916 1.00 0.00 N ATOM 198 CA CYS A 14 -1.316 6.539 2.966 1.00 0.00 C ATOM 199 C CYS A 14 -1.085 8.017 3.269 1.00 0.00 C ATOM 200 O CYS A 14 -1.524 8.909 2.542 1.00 0.00 O ATOM 201 CB CYS A 14 0.009 5.868 2.602 1.00 0.00 C ATOM 202 SG CYS A 14 0.696 4.842 3.942 1.00 0.00 S ATOM 0 H CYS A 14 -2.088 5.544 1.297 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.719 6.083 3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.138 5.247 1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.735 6.636 2.335 1.00 0.00 H new ATOM 207 N SER A 15 -0.341 8.253 4.334 1.00 0.00 N ATOM 208 CA SER A 15 -0.071 9.604 4.811 1.00 0.00 C ATOM 209 C SER A 15 1.314 10.111 4.410 1.00 0.00 C ATOM 210 O SER A 15 1.887 9.671 3.423 1.00 0.00 O ATOM 211 CB SER A 15 -0.235 9.668 6.334 1.00 0.00 C ATOM 212 OG SER A 15 -1.345 8.898 6.761 1.00 0.00 O ATOM 0 H SER A 15 0.093 7.519 4.893 1.00 0.00 H new ATOM 0 HA SER A 15 -0.799 10.260 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.672 9.303 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.366 10.704 6.645 1.00 0.00 H new ATOM 0 HG SER A 15 -1.426 8.954 7.736 1.00 0.00 H new ATOM 218 N GLY A 16 1.802 11.040 5.236 1.00 0.00 N ATOM 219 CA GLY A 16 3.094 11.723 5.099 1.00 0.00 C ATOM 220 C GLY A 16 4.114 11.156 4.111 1.00 0.00 C ATOM 221 O GLY A 16 3.781 10.729 3.016 1.00 0.00 O ATOM 0 H GLY A 16 1.284 11.352 6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.895 12.756 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.563 11.748 6.083 1.00 0.00 H new ATOM 225 N LEU A 17 5.381 11.283 4.498 1.00 0.00 N ATOM 226 CA LEU A 17 6.549 10.892 3.692 1.00 0.00 C ATOM 227 C LEU A 17 6.262 9.891 2.565 1.00 0.00 C ATOM 228 O LEU A 17 6.700 10.113 1.435 1.00 0.00 O ATOM 229 CB LEU A 17 7.623 10.303 4.624 1.00 0.00 C ATOM 230 CG LEU A 17 9.074 10.471 4.166 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.379 9.580 2.971 1.00 0.00 C ATOM 232 CD2 LEU A 17 9.352 11.924 3.838 1.00 0.00 C ATOM 0 H LEU A 17 5.637 11.671 5.406 1.00 0.00 H new ATOM 0 HA LEU A 17 6.884 11.803 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.517 10.765 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.423 9.239 4.749 1.00 0.00 H new ATOM 0 HG LEU A 17 9.729 10.165 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.416 9.721 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.219 8.537 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.720 9.843 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.387 12.032 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.685 12.251 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.184 12.536 4.724 1.00 0.00 H new ATOM 244 N TYR A 18 5.541 8.812 2.832 1.00 0.00 N ATOM 245 CA TYR A 18 5.289 7.826 1.773 1.00 0.00 C ATOM 246 C TYR A 18 4.341 8.381 0.709 1.00 0.00 C ATOM 247 O TYR A 18 4.531 8.153 -0.485 1.00 0.00 O ATOM 248 CB TYR A 18 4.711 6.556 2.391 1.00 0.00 C ATOM 249 CG TYR A 18 5.249 6.285 3.777 1.00 0.00 C ATOM 250 CD1 TYR A 18 6.568 5.892 3.964 1.00 0.00 C ATOM 251 CD2 TYR A 18 4.447 6.447 4.899 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.070 5.662 5.230 1.00 0.00 C ATOM 253 CE2 TYR A 18 4.943 6.223 6.169 1.00 0.00 C ATOM 254 CZ TYR A 18 6.255 5.831 6.329 1.00 0.00 C ATOM 255 OH TYR A 18 6.753 5.606 7.591 1.00 0.00 O ATOM 0 H TYR A 18 5.129 8.594 3.739 1.00 0.00 H new ATOM 0 HA TYR A 18 6.234 7.595 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.625 6.641 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.937 5.707 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.211 5.764 3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.419 6.753 4.777 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.096 5.351 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.306 6.354 7.032 1.00 0.00 H new ATOM 0 HH TYR A 18 6.076 5.149 8.133 1.00 0.00 H new ATOM 265 N GLY A 19 3.343 9.135 1.157 1.00 0.00 N ATOM 266 CA GLY A 19 2.404 9.796 0.264 1.00 0.00 C ATOM 267 C GLY A 19 1.659 8.892 -0.716 1.00 0.00 C ATOM 268 O GLY A 19 0.693 9.341 -1.333 1.00 0.00 O ATOM 0 H GLY A 19 3.164 9.304 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.668 10.325 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.946 10.549 -0.308 1.00 0.00 H new ATOM 272 N THR A 20 2.077 7.636 -0.878 1.00 0.00 N ATOM 273 CA THR A 20 1.419 6.760 -1.844 1.00 0.00 C ATOM 274 C THR A 20 1.148 5.365 -1.290 1.00 0.00 C ATOM 275 O THR A 20 1.822 4.899 -0.370 1.00 0.00 O ATOM 276 CB THR A 20 2.267 6.634 -3.126 1.00 0.00 C ATOM 277 OG1 THR A 20 2.642 7.935 -3.592 1.00 0.00 O ATOM 278 CG2 THR A 20 1.501 5.907 -4.223 1.00 0.00 C ATOM 0 H THR A 20 2.850 7.211 -0.366 1.00 0.00 H new ATOM 0 HA THR A 20 0.458 7.223 -2.070 1.00 0.00 H new ATOM 0 HB THR A 20 3.159 6.056 -2.884 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.182 7.848 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.124 5.833 -5.114 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.237 4.906 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.592 6.460 -4.460 1.00 0.00 H new ATOM 286 N ALA A 21 0.146 4.709 -1.872 1.00 0.00 N ATOM 287 CA ALA A 21 -0.242 3.361 -1.478 1.00 0.00 C ATOM 288 C ALA A 21 -0.024 2.387 -2.633 1.00 0.00 C ATOM 289 O ALA A 21 -0.813 2.351 -3.578 1.00 0.00 O ATOM 290 CB ALA A 21 -1.699 3.351 -1.045 1.00 0.00 C ATOM 0 H ALA A 21 -0.417 5.098 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 21 0.379 3.044 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.984 2.341 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.832 4.026 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.327 3.679 -1.873 1.00 0.00 H new ATOM 296 N GLN A 22 1.043 1.595 -2.551 1.00 0.00 N ATOM 297 CA GLN A 22 1.360 0.634 -3.603 1.00 0.00 C ATOM 298 C GLN A 22 1.494 -0.778 -3.041 1.00 0.00 C ATOM 299 O GLN A 22 1.154 -1.033 -1.885 1.00 0.00 O ATOM 300 CB GLN A 22 2.654 1.029 -4.320 1.00 0.00 C ATOM 301 CG GLN A 22 2.588 2.383 -5.010 1.00 0.00 C ATOM 302 CD GLN A 22 1.739 2.357 -6.267 1.00 0.00 C ATOM 303 OE1 GLN A 22 2.234 2.075 -7.359 1.00 0.00 O ATOM 304 NE2 GLN A 22 0.454 2.657 -6.122 1.00 0.00 N ATOM 0 H GLN A 22 1.700 1.600 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 22 0.537 0.645 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.470 1.040 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.895 0.266 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.182 3.120 -4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.597 2.706 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.084 2.885 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.164 2.660 -6.934 1.00 0.00 H new ATOM 313 N CYS A 23 1.991 -1.690 -3.870 1.00 0.00 N ATOM 314 CA CYS A 23 2.169 -3.078 -3.471 1.00 0.00 C ATOM 315 C CYS A 23 3.454 -3.637 -4.067 1.00 0.00 C ATOM 316 O CYS A 23 3.778 -3.368 -5.224 1.00 0.00 O ATOM 317 CB CYS A 23 0.971 -3.917 -3.921 1.00 0.00 C ATOM 318 SG CYS A 23 0.705 -5.414 -2.923 1.00 0.00 S ATOM 0 H CYS A 23 2.279 -1.489 -4.828 1.00 0.00 H new ATOM 0 HA CYS A 23 2.239 -3.122 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.073 -3.301 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.113 -4.207 -4.962 1.00 0.00 H new ATOM 323 N CYS A 24 4.182 -4.413 -3.275 1.00 0.00 N ATOM 324 CA CYS A 24 5.438 -4.997 -3.731 1.00 0.00 C ATOM 325 C CYS A 24 5.778 -6.260 -2.942 1.00 0.00 C ATOM 326 O CYS A 24 5.126 -6.581 -1.948 1.00 0.00 O ATOM 327 CB CYS A 24 6.567 -3.972 -3.589 1.00 0.00 C ATOM 328 SG CYS A 24 7.748 -3.962 -4.976 1.00 0.00 S ATOM 0 H CYS A 24 3.926 -4.653 -2.317 1.00 0.00 H new ATOM 0 HA CYS A 24 5.326 -5.273 -4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.130 -2.978 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.110 -4.173 -2.666 1.00 0.00 H new ATOM 333 N ALA A 25 6.805 -6.971 -3.400 1.00 0.00 N ATOM 334 CA ALA A 25 7.251 -8.199 -2.750 1.00 0.00 C ATOM 335 C ALA A 25 8.427 -7.924 -1.824 1.00 0.00 C ATOM 336 O ALA A 25 9.011 -6.840 -1.852 1.00 0.00 O ATOM 337 CB ALA A 25 7.628 -9.237 -3.797 1.00 0.00 C ATOM 0 H ALA A 25 7.347 -6.715 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 25 6.431 -8.589 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.959 -10.150 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.761 -9.457 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.434 -8.849 -4.420 1.00 0.00 H new ATOM 343 N THR A 26 8.770 -8.909 -1.003 1.00 0.00 N ATOM 344 CA THR A 26 9.876 -8.764 -0.063 1.00 0.00 C ATOM 345 C THR A 26 10.794 -9.983 -0.076 1.00 0.00 C ATOM 346 O THR A 26 10.391 -11.075 -0.477 1.00 0.00 O ATOM 347 CB THR A 26 9.377 -8.529 1.373 1.00 0.00 C ATOM 348 OG1 THR A 26 10.468 -8.131 2.205 1.00 0.00 O ATOM 349 CG2 THR A 26 8.742 -9.788 1.943 1.00 0.00 C ATOM 0 H THR A 26 8.301 -9.814 -0.968 1.00 0.00 H new ATOM 0 HA THR A 26 10.440 -7.891 -0.392 1.00 0.00 H new ATOM 0 HB THR A 26 8.624 -7.741 1.346 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.242 -7.294 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.398 -9.594 2.959 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.895 -10.081 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.477 -10.592 1.956 1.00 0.00 H new ATOM 357 N ASP A 27 12.034 -9.783 0.368 1.00 0.00 N ATOM 358 CA ASP A 27 13.023 -10.853 0.404 1.00 0.00 C ATOM 359 C ASP A 27 12.852 -11.723 1.644 1.00 0.00 C ATOM 360 O ASP A 27 11.865 -11.608 2.369 1.00 0.00 O ATOM 361 CB ASP A 27 14.435 -10.267 0.367 1.00 0.00 C ATOM 362 CG ASP A 27 14.915 -9.818 1.732 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.300 -8.894 2.302 1.00 0.00 O ATOM 364 OD2 ASP A 27 15.908 -10.388 2.229 1.00 0.00 O ATOM 0 H ASP A 27 12.376 -8.885 0.709 1.00 0.00 H new ATOM 0 HA ASP A 27 12.871 -11.481 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.124 -11.013 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.455 -9.419 -0.318 1.00 0.00 H new ATOM 369 N VAL A 28 13.827 -12.591 1.876 1.00 0.00 N ATOM 370 CA VAL A 28 13.798 -13.497 3.016 1.00 0.00 C ATOM 371 C VAL A 28 13.822 -12.761 4.357 1.00 0.00 C ATOM 372 O VAL A 28 13.056 -13.090 5.262 1.00 0.00 O ATOM 373 CB VAL A 28 14.969 -14.492 2.966 1.00 0.00 C ATOM 374 CG1 VAL A 28 14.715 -15.528 1.889 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.287 -13.773 2.722 1.00 0.00 C ATOM 0 H VAL A 28 14.653 -12.687 1.286 1.00 0.00 H new ATOM 0 HA VAL A 28 12.854 -14.037 2.943 1.00 0.00 H new ATOM 0 HB VAL A 28 15.041 -14.994 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.547 -16.231 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.794 -16.066 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.621 -15.033 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.098 -14.501 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.241 -13.241 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.468 -13.062 3.528 1.00 0.00 H new ATOM 385 N LEU A 29 14.694 -11.765 4.482 1.00 0.00 N ATOM 386 CA LEU A 29 14.817 -11.012 5.725 1.00 0.00 C ATOM 387 C LEU A 29 13.695 -9.982 5.873 1.00 0.00 C ATOM 388 O LEU A 29 13.408 -9.525 6.980 1.00 0.00 O ATOM 389 CB LEU A 29 16.182 -10.332 5.785 1.00 0.00 C ATOM 390 CG LEU A 29 17.361 -11.252 5.477 1.00 0.00 C ATOM 391 CD1 LEU A 29 18.642 -10.445 5.342 1.00 0.00 C ATOM 392 CD2 LEU A 29 17.503 -12.308 6.563 1.00 0.00 C ATOM 0 H LEU A 29 15.324 -11.461 3.740 1.00 0.00 H new ATOM 0 HA LEU A 29 14.728 -11.711 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.191 -9.501 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.319 -9.907 6.779 1.00 0.00 H new ATOM 0 HG LEU A 29 17.173 -11.756 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.473 -11.115 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.534 -9.724 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.839 -9.916 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.347 -12.957 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.673 -11.822 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.591 -12.903 6.614 1.00 0.00 H new ATOM 404 N GLY A 30 13.066 -9.620 4.756 1.00 0.00 N ATOM 405 CA GLY A 30 11.975 -8.660 4.798 1.00 0.00 C ATOM 406 C GLY A 30 12.330 -7.309 4.194 1.00 0.00 C ATOM 407 O GLY A 30 11.442 -6.504 3.911 1.00 0.00 O ATOM 0 H GLY A 30 13.292 -9.973 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.118 -9.073 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.668 -8.516 5.834 1.00 0.00 H new ATOM 411 N VAL A 31 13.620 -7.045 4.008 1.00 0.00 N ATOM 412 CA VAL A 31 14.056 -5.781 3.427 1.00 0.00 C ATOM 413 C VAL A 31 14.419 -5.954 1.956 1.00 0.00 C ATOM 414 O VAL A 31 15.454 -6.534 1.630 1.00 0.00 O ATOM 415 CB VAL A 31 15.273 -5.209 4.180 1.00 0.00 C ATOM 416 CG1 VAL A 31 15.618 -3.817 3.668 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.010 -5.184 5.677 1.00 0.00 C ATOM 0 H VAL A 31 14.377 -7.685 4.250 1.00 0.00 H new ATOM 0 HA VAL A 31 13.223 -5.084 3.516 1.00 0.00 H new ATOM 0 HB VAL A 31 16.128 -5.859 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.480 -3.432 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.854 -3.868 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.767 -3.153 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.880 -4.777 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.141 -4.559 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.820 -6.198 6.030 1.00 0.00 H new ATOM 427 N ALA A 32 13.566 -5.434 1.075 1.00 0.00 N ATOM 428 CA ALA A 32 13.795 -5.520 -0.365 1.00 0.00 C ATOM 429 C ALA A 32 12.661 -4.870 -1.149 1.00 0.00 C ATOM 430 O ALA A 32 11.599 -4.576 -0.603 1.00 0.00 O ATOM 431 CB ALA A 32 13.951 -6.971 -0.797 1.00 0.00 C ATOM 0 H ALA A 32 12.708 -4.948 1.335 1.00 0.00 H new ATOM 0 HA ALA A 32 14.717 -4.980 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.121 -7.014 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.800 -7.416 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.044 -7.524 -0.550 1.00 0.00 H new ATOM 437 N ASP A 33 12.904 -4.651 -2.437 1.00 0.00 N ATOM 438 CA ASP A 33 11.914 -4.051 -3.323 1.00 0.00 C ATOM 439 C ASP A 33 11.836 -4.853 -4.620 1.00 0.00 C ATOM 440 O ASP A 33 12.545 -4.568 -5.584 1.00 0.00 O ATOM 441 CB ASP A 33 12.273 -2.589 -3.611 1.00 0.00 C ATOM 442 CG ASP A 33 11.343 -1.946 -4.621 1.00 0.00 C ATOM 443 OD1 ASP A 33 11.570 -2.121 -5.836 1.00 0.00 O ATOM 444 OD2 ASP A 33 10.387 -1.264 -4.195 1.00 0.00 O ATOM 0 H ASP A 33 13.786 -4.883 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 33 10.939 -4.070 -2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.241 -2.021 -2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.297 -2.537 -3.981 1.00 0.00 H new ATOM 449 N LEU A 34 10.970 -5.864 -4.628 1.00 0.00 N ATOM 450 CA LEU A 34 10.816 -6.735 -5.789 1.00 0.00 C ATOM 451 C LEU A 34 9.397 -6.693 -6.340 1.00 0.00 C ATOM 452 O LEU A 34 8.430 -6.750 -5.586 1.00 0.00 O ATOM 453 CB LEU A 34 11.162 -8.169 -5.397 1.00 0.00 C ATOM 454 CG LEU A 34 12.231 -8.285 -4.313 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.217 -9.668 -3.684 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.600 -7.971 -4.892 1.00 0.00 C ATOM 0 H LEU A 34 10.364 -6.100 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 34 11.492 -6.380 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.256 -8.667 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.502 -8.704 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 34 12.009 -7.560 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.987 -9.726 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.241 -9.854 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.412 -10.418 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.354 -8.057 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.826 -8.675 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.603 -6.956 -5.289 1.00 0.00 H new ATOM 468 N ASP A 35 9.283 -6.607 -7.660 1.00 0.00 N ATOM 469 CA ASP A 35 7.981 -6.571 -8.319 1.00 0.00 C ATOM 470 C ASP A 35 7.079 -5.501 -7.710 1.00 0.00 C ATOM 471 O ASP A 35 6.252 -5.792 -6.846 1.00 0.00 O ATOM 472 CB ASP A 35 7.301 -7.940 -8.216 1.00 0.00 C ATOM 473 CG ASP A 35 6.044 -8.027 -9.061 1.00 0.00 C ATOM 474 OD1 ASP A 35 4.961 -7.673 -8.552 1.00 0.00 O ATOM 475 OD2 ASP A 35 6.145 -8.451 -10.231 1.00 0.00 O ATOM 0 H ASP A 35 10.078 -6.561 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 35 8.144 -6.323 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.001 -8.715 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.050 -8.140 -7.174 1.00 0.00 H new ATOM 480 N CYS A 36 7.239 -4.263 -8.170 1.00 0.00 N ATOM 481 CA CYS A 36 6.434 -3.153 -7.669 1.00 0.00 C ATOM 482 C CYS A 36 5.435 -2.691 -8.726 1.00 0.00 C ATOM 483 O CYS A 36 5.790 -2.501 -9.889 1.00 0.00 O ATOM 484 CB CYS A 36 7.331 -1.983 -7.257 1.00 0.00 C ATOM 485 SG CYS A 36 7.852 -2.005 -5.510 1.00 0.00 S ATOM 0 H CYS A 36 7.917 -4.004 -8.887 1.00 0.00 H new ATOM 0 HA CYS A 36 5.884 -3.503 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.220 -1.984 -7.888 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.802 -1.050 -7.453 1.00 0.00 H new ATOM 490 N ALA A 37 4.182 -2.510 -8.313 1.00 0.00 N ATOM 491 CA ALA A 37 3.131 -2.076 -9.226 1.00 0.00 C ATOM 492 C ALA A 37 1.958 -1.468 -8.465 1.00 0.00 C ATOM 493 O ALA A 37 1.984 -1.373 -7.238 1.00 0.00 O ATOM 494 CB ALA A 37 2.658 -3.247 -10.074 1.00 0.00 C ATOM 0 H ALA A 37 3.872 -2.657 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 37 3.544 -1.307 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.873 -2.912 -10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.495 -3.639 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.267 -4.031 -9.426 1.00 0.00 H new ATOM 500 N ASN A 38 0.932 -1.056 -9.203 1.00 0.00 N ATOM 501 CA ASN A 38 -0.252 -0.457 -8.602 1.00 0.00 C ATOM 502 C ASN A 38 -1.169 -1.530 -8.009 1.00 0.00 C ATOM 503 O ASN A 38 -1.345 -2.596 -8.598 1.00 0.00 O ATOM 504 CB ASN A 38 -1.016 0.367 -9.640 1.00 0.00 C ATOM 505 CG ASN A 38 -0.211 1.551 -10.141 1.00 0.00 C ATOM 506 OD1 ASN A 38 -0.295 2.648 -9.590 1.00 0.00 O ATOM 507 ND2 ASN A 38 0.578 1.333 -11.188 1.00 0.00 N ATOM 0 H ASN A 38 0.898 -1.127 -10.220 1.00 0.00 H new ATOM 0 HA ASN A 38 0.075 0.200 -7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.282 -0.271 -10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.949 0.723 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.145 2.092 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.616 0.407 -11.614 1.00 0.00 H new ATOM 514 N PRO A 39 -1.765 -1.260 -6.831 1.00 0.00 N ATOM 515 CA PRO A 39 -2.659 -2.197 -6.163 1.00 0.00 C ATOM 516 C PRO A 39 -4.116 -1.989 -6.577 1.00 0.00 C ATOM 517 O PRO A 39 -4.703 -0.951 -6.275 1.00 0.00 O ATOM 518 CB PRO A 39 -2.459 -1.838 -4.694 1.00 0.00 C ATOM 519 CG PRO A 39 -2.178 -0.369 -4.690 1.00 0.00 C ATOM 520 CD PRO A 39 -1.628 -0.013 -6.055 1.00 0.00 C ATOM 0 HA PRO A 39 -2.445 -3.238 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.347 -2.072 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.632 -2.399 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.087 0.196 -4.483 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.461 -0.117 -3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.188 0.804 -6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.588 0.308 -5.995 1.00 0.00 H new ATOM 528 N PRO A 40 -4.727 -2.967 -7.275 1.00 0.00 N ATOM 529 CA PRO A 40 -6.110 -2.846 -7.722 1.00 0.00 C ATOM 530 C PRO A 40 -7.111 -3.385 -6.704 1.00 0.00 C ATOM 531 O PRO A 40 -7.156 -4.587 -6.438 1.00 0.00 O ATOM 532 CB PRO A 40 -6.106 -3.719 -8.972 1.00 0.00 C ATOM 533 CG PRO A 40 -5.132 -4.817 -8.663 1.00 0.00 C ATOM 534 CD PRO A 40 -4.133 -4.251 -7.681 1.00 0.00 C ATOM 0 HA PRO A 40 -6.413 -1.811 -7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.099 -4.117 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.799 -3.152 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.645 -5.680 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.632 -5.157 -9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.992 -4.914 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.155 -4.111 -8.141 1.00 0.00 H new ATOM 542 N ALA A 41 -7.916 -2.485 -6.144 1.00 0.00 N ATOM 543 CA ALA A 41 -8.937 -2.860 -5.171 1.00 0.00 C ATOM 544 C ALA A 41 -9.772 -1.653 -4.766 1.00 0.00 C ATOM 545 O ALA A 41 -9.578 -0.550 -5.279 1.00 0.00 O ATOM 546 CB ALA A 41 -8.295 -3.490 -3.944 1.00 0.00 C ATOM 0 H ALA A 41 -7.880 -1.487 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.597 -3.591 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.070 -3.764 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.743 -4.382 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.612 -2.776 -3.484 1.00 0.00 H new ATOM 552 N THR A 42 -10.703 -1.869 -3.844 1.00 0.00 N ATOM 553 CA THR A 42 -11.536 -0.796 -3.330 1.00 0.00 C ATOM 554 C THR A 42 -11.119 -0.490 -1.894 1.00 0.00 C ATOM 555 O THR A 42 -11.656 -1.062 -0.946 1.00 0.00 O ATOM 556 CB THR A 42 -13.023 -1.173 -3.363 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.397 -1.579 -4.685 1.00 0.00 O ATOM 558 CG2 THR A 42 -13.874 0.007 -2.931 1.00 0.00 C ATOM 0 H THR A 42 -10.898 -2.784 -3.437 1.00 0.00 H new ATOM 0 HA THR A 42 -11.399 0.081 -3.963 1.00 0.00 H new ATOM 0 HB THR A 42 -13.188 -2.001 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.347 -1.820 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.927 -0.274 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.603 0.299 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.704 0.845 -3.607 1.00 0.00 H new ATOM 566 N LEU A 43 -10.155 0.414 -1.746 1.00 0.00 N ATOM 567 CA LEU A 43 -9.639 0.771 -0.425 1.00 0.00 C ATOM 568 C LEU A 43 -10.711 1.431 0.440 1.00 0.00 C ATOM 569 O LEU A 43 -11.320 2.424 0.040 1.00 0.00 O ATOM 570 CB LEU A 43 -8.424 1.700 -0.553 1.00 0.00 C ATOM 571 CG LEU A 43 -7.358 1.263 -1.567 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.086 2.074 -1.378 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.064 -0.227 -1.442 1.00 0.00 C ATOM 0 H LEU A 43 -9.716 0.912 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.333 -0.153 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.777 2.694 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.953 1.790 0.426 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.745 1.447 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.339 1.753 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.304 3.132 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.702 1.919 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.306 -0.511 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.700 -0.443 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.976 -0.795 -1.627 1.00 0.00 H new ATOM 585 N ALA A 44 -10.941 0.869 1.628 1.00 0.00 N ATOM 586 CA ALA A 44 -11.939 1.404 2.551 1.00 0.00 C ATOM 587 C ALA A 44 -11.320 1.800 3.892 1.00 0.00 C ATOM 588 O ALA A 44 -11.770 2.750 4.534 1.00 0.00 O ATOM 589 CB ALA A 44 -13.055 0.398 2.767 1.00 0.00 C ATOM 0 H ALA A 44 -10.449 0.044 1.972 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.352 2.305 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.790 0.812 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.536 0.178 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.642 -0.520 3.185 1.00 0.00 H new ATOM 595 N ASN A 45 -10.291 1.067 4.315 1.00 0.00 N ATOM 596 CA ASN A 45 -9.623 1.343 5.583 1.00 0.00 C ATOM 597 C ASN A 45 -8.259 0.653 5.649 1.00 0.00 C ATOM 598 O ASN A 45 -7.833 0.018 4.686 1.00 0.00 O ATOM 599 CB ASN A 45 -10.505 0.912 6.765 1.00 0.00 C ATOM 600 CG ASN A 45 -10.492 -0.590 7.023 1.00 0.00 C ATOM 601 OD1 ASN A 45 -9.532 -1.121 7.578 1.00 0.00 O ATOM 602 ND2 ASN A 45 -11.568 -1.281 6.647 1.00 0.00 N ATOM 0 H ASN A 45 -9.903 0.278 3.798 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.459 2.419 5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.170 1.429 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.530 1.231 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.614 -2.286 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.345 -0.805 6.189 1.00 0.00 H new ATOM 609 N ALA A 46 -7.581 0.790 6.789 1.00 0.00 N ATOM 610 CA ALA A 46 -6.260 0.188 6.981 1.00 0.00 C ATOM 611 C ALA A 46 -6.258 -1.300 6.646 1.00 0.00 C ATOM 612 O ALA A 46 -5.516 -1.748 5.773 1.00 0.00 O ATOM 613 CB ALA A 46 -5.784 0.405 8.410 1.00 0.00 C ATOM 0 H ALA A 46 -7.925 1.313 7.594 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.573 0.681 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.801 -0.048 8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.721 1.474 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.489 -0.056 9.102 1.00 0.00 H new ATOM 619 N THR A 47 -7.090 -2.061 7.347 1.00 0.00 N ATOM 620 CA THR A 47 -7.183 -3.495 7.132 1.00 0.00 C ATOM 621 C THR A 47 -7.643 -3.802 5.714 1.00 0.00 C ATOM 622 O THR A 47 -7.169 -4.752 5.088 1.00 0.00 O ATOM 623 CB THR A 47 -8.149 -4.134 8.143 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.584 -4.087 9.460 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.458 -5.573 7.772 1.00 0.00 C ATOM 0 H THR A 47 -7.712 -1.704 8.072 1.00 0.00 H new ATOM 0 HA THR A 47 -6.189 -3.919 7.277 1.00 0.00 H new ATOM 0 HB THR A 47 -9.079 -3.566 8.124 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.207 -4.494 10.098 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.143 -5.999 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.918 -5.603 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.535 -6.152 7.760 1.00 0.00 H new ATOM 633 N HIS A 48 -8.569 -2.995 5.209 1.00 0.00 N ATOM 634 CA HIS A 48 -9.081 -3.181 3.860 1.00 0.00 C ATOM 635 C HIS A 48 -7.948 -3.039 2.853 1.00 0.00 C ATOM 636 O HIS A 48 -7.947 -3.683 1.804 1.00 0.00 O ATOM 637 CB HIS A 48 -10.180 -2.164 3.565 1.00 0.00 C ATOM 638 CG HIS A 48 -11.219 -2.668 2.613 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.564 -2.699 2.913 1.00 0.00 N ATOM 640 CD2 HIS A 48 -11.104 -3.164 1.357 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.232 -3.190 1.884 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.370 -3.479 0.928 1.00 0.00 N ATOM 0 H HIS A 48 -8.978 -2.208 5.713 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.505 -4.182 3.778 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.662 -1.880 4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.728 -1.262 3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.188 -3.288 0.798 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.302 -3.331 1.834 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.606 -3.873 0.017 1.00 0.00 H new ATOM 651 N PHE A 49 -6.984 -2.185 3.188 1.00 0.00 N ATOM 652 CA PHE A 49 -5.828 -1.959 2.333 1.00 0.00 C ATOM 653 C PHE A 49 -4.929 -3.192 2.329 1.00 0.00 C ATOM 654 O PHE A 49 -4.346 -3.545 1.305 1.00 0.00 O ATOM 655 CB PHE A 49 -5.048 -0.727 2.810 1.00 0.00 C ATOM 656 CG PHE A 49 -3.837 -0.405 1.976 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.902 -0.425 0.591 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.634 -0.081 2.582 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.788 -0.127 -0.172 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.519 0.218 1.824 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.595 0.194 0.446 1.00 0.00 C ATOM 0 H PHE A 49 -6.983 -1.638 4.049 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.173 -1.777 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.715 0.135 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.734 -0.886 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.832 -0.676 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.567 -0.062 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.851 -0.145 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.588 0.471 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.723 0.426 -0.148 1.00 0.00 H new ATOM 671 N GLU A 50 -4.821 -3.842 3.486 1.00 0.00 N ATOM 672 CA GLU A 50 -4.012 -5.048 3.613 1.00 0.00 C ATOM 673 C GLU A 50 -4.622 -6.182 2.797 1.00 0.00 C ATOM 674 O GLU A 50 -3.909 -7.031 2.261 1.00 0.00 O ATOM 675 CB GLU A 50 -3.899 -5.460 5.081 1.00 0.00 C ATOM 676 CG GLU A 50 -3.094 -6.733 5.292 1.00 0.00 C ATOM 677 CD GLU A 50 -1.638 -6.574 4.902 1.00 0.00 C ATOM 678 OE1 GLU A 50 -1.339 -6.613 3.691 1.00 0.00 O ATOM 679 OE2 GLU A 50 -0.794 -6.410 5.809 1.00 0.00 O ATOM 0 H GLU A 50 -5.284 -3.552 4.347 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.013 -4.837 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.436 -4.649 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.900 -5.600 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.155 -7.028 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.537 -7.539 4.707 1.00 0.00 H new ATOM 686 N SER A 51 -5.949 -6.186 2.708 1.00 0.00 N ATOM 687 CA SER A 51 -6.667 -7.208 1.957 1.00 0.00 C ATOM 688 C SER A 51 -6.445 -7.025 0.458 1.00 0.00 C ATOM 689 O SER A 51 -6.629 -7.956 -0.326 1.00 0.00 O ATOM 690 CB SER A 51 -8.166 -7.143 2.276 1.00 0.00 C ATOM 691 OG SER A 51 -8.864 -8.216 1.666 1.00 0.00 O ATOM 0 H SER A 51 -6.550 -5.490 3.149 1.00 0.00 H new ATOM 0 HA SER A 51 -6.283 -8.185 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.313 -7.176 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.574 -6.194 1.928 1.00 0.00 H new ATOM 0 HG SER A 51 -9.817 -8.153 1.886 1.00 0.00 H new ATOM 697 N THR A 52 -6.047 -5.818 0.071 1.00 0.00 N ATOM 698 CA THR A 52 -5.796 -5.504 -1.331 1.00 0.00 C ATOM 699 C THR A 52 -4.569 -6.244 -1.848 1.00 0.00 C ATOM 700 O THR A 52 -4.583 -6.799 -2.948 1.00 0.00 O ATOM 701 CB THR A 52 -5.592 -3.989 -1.532 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.803 -3.288 -1.227 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.165 -3.678 -2.960 1.00 0.00 C ATOM 0 H THR A 52 -5.891 -5.039 0.711 1.00 0.00 H new ATOM 0 HA THR A 52 -6.672 -5.826 -1.893 1.00 0.00 H new ATOM 0 HB THR A 52 -4.801 -3.661 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.063 -3.472 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.028 -2.602 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.227 -4.188 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.934 -4.021 -3.652 1.00 0.00 H new ATOM 711 N CYS A 53 -3.512 -6.250 -1.047 1.00 0.00 N ATOM 712 CA CYS A 53 -2.272 -6.916 -1.425 1.00 0.00 C ATOM 713 C CYS A 53 -2.343 -8.414 -1.168 1.00 0.00 C ATOM 714 O CYS A 53 -1.697 -9.197 -1.859 1.00 0.00 O ATOM 715 CB CYS A 53 -1.086 -6.315 -0.670 1.00 0.00 C ATOM 716 SG CYS A 53 -0.460 -4.769 -1.394 1.00 0.00 S ATOM 0 H CYS A 53 -3.488 -5.801 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.131 -6.760 -2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.382 -6.128 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.277 -7.045 -0.642 1.00 0.00 H new ATOM 721 N ALA A 54 -3.141 -8.811 -0.187 1.00 0.00 N ATOM 722 CA ALA A 54 -3.282 -10.216 0.155 1.00 0.00 C ATOM 723 C ALA A 54 -4.049 -10.934 -0.938 1.00 0.00 C ATOM 724 O ALA A 54 -3.995 -12.158 -1.066 1.00 0.00 O ATOM 725 CB ALA A 54 -3.988 -10.359 1.491 1.00 0.00 C ATOM 0 H ALA A 54 -3.700 -8.178 0.385 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.294 -10.667 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.089 -11.416 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.406 -9.859 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.977 -9.905 1.430 1.00 0.00 H new ATOM 731 N ALA A 55 -4.763 -10.143 -1.722 1.00 0.00 N ATOM 732 CA ALA A 55 -5.568 -10.641 -2.816 1.00 0.00 C ATOM 733 C ALA A 55 -4.718 -11.267 -3.918 1.00 0.00 C ATOM 734 O ALA A 55 -5.095 -12.284 -4.500 1.00 0.00 O ATOM 735 CB ALA A 55 -6.398 -9.503 -3.368 1.00 0.00 C ATOM 0 H ALA A 55 -4.798 -9.129 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.217 -11.430 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.010 -9.866 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.044 -9.110 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.739 -8.712 -3.725 1.00 0.00 H new ATOM 741 N ILE A 56 -3.569 -10.656 -4.201 1.00 0.00 N ATOM 742 CA ILE A 56 -2.681 -11.152 -5.251 1.00 0.00 C ATOM 743 C ILE A 56 -1.444 -11.858 -4.690 1.00 0.00 C ATOM 744 O ILE A 56 -0.527 -12.196 -5.437 1.00 0.00 O ATOM 745 CB ILE A 56 -2.240 -10.015 -6.196 1.00 0.00 C ATOM 746 CG1 ILE A 56 -1.850 -8.769 -5.392 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.353 -9.696 -7.186 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.432 -7.591 -6.251 1.00 0.00 C ATOM 0 H ILE A 56 -3.232 -9.821 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.260 -11.884 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.364 -10.343 -6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.694 -8.471 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.032 -9.024 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.031 -8.892 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.580 -10.584 -7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.245 -9.384 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.171 -6.748 -5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.568 -7.869 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.256 -7.308 -6.906 1.00 0.00 H new ATOM 760 N GLY A 57 -1.421 -12.080 -3.378 1.00 0.00 N ATOM 761 CA GLY A 57 -0.291 -12.767 -2.765 1.00 0.00 C ATOM 762 C GLY A 57 0.881 -11.847 -2.454 1.00 0.00 C ATOM 763 O GLY A 57 2.037 -12.232 -2.624 1.00 0.00 O ATOM 0 H GLY A 57 -2.158 -11.800 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.623 -13.245 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.047 -13.561 -3.431 1.00 0.00 H new ATOM 767 N GLN A 58 0.584 -10.633 -2.000 1.00 0.00 N ATOM 768 CA GLN A 58 1.623 -9.664 -1.659 1.00 0.00 C ATOM 769 C GLN A 58 1.265 -8.910 -0.380 1.00 0.00 C ATOM 770 O GLN A 58 0.253 -9.204 0.258 1.00 0.00 O ATOM 771 CB GLN A 58 1.839 -8.685 -2.816 1.00 0.00 C ATOM 772 CG GLN A 58 2.773 -9.223 -3.895 1.00 0.00 C ATOM 773 CD GLN A 58 2.745 -8.405 -5.172 1.00 0.00 C ATOM 774 OE1 GLN A 58 2.958 -8.933 -6.263 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.480 -7.109 -5.048 1.00 0.00 N ATOM 0 H GLN A 58 -0.368 -10.296 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 58 2.552 -10.207 -1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.875 -8.446 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.247 -7.754 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.791 -9.244 -3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.498 -10.252 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.309 -6.709 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.448 -6.514 -5.876 1.00 0.00 H new ATOM 784 N ARG A 59 2.096 -7.937 -0.009 1.00 0.00 N ATOM 785 CA ARG A 59 1.861 -7.158 1.208 1.00 0.00 C ATOM 786 C ARG A 59 1.708 -5.668 0.910 1.00 0.00 C ATOM 787 O ARG A 59 2.213 -5.167 -0.095 1.00 0.00 O ATOM 788 CB ARG A 59 3.000 -7.377 2.206 1.00 0.00 C ATOM 789 CG ARG A 59 3.056 -8.791 2.759 1.00 0.00 C ATOM 790 CD ARG A 59 4.181 -8.953 3.768 1.00 0.00 C ATOM 791 NE ARG A 59 4.104 -7.962 4.837 1.00 0.00 N ATOM 792 CZ ARG A 59 5.017 -7.841 5.795 1.00 0.00 C ATOM 793 NH1 ARG A 59 6.071 -8.646 5.819 1.00 0.00 N ATOM 794 NH2 ARG A 59 4.878 -6.911 6.731 1.00 0.00 N ATOM 0 H ARG A 59 2.932 -7.670 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 59 0.925 -7.507 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.948 -7.148 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.888 -6.676 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.105 -9.035 3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.196 -9.497 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.141 -9.954 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.140 -8.863 3.259 1.00 0.00 H new ATOM 0 HE ARG A 59 3.305 -7.327 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.183 -9.361 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.770 -8.550 6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.070 -6.289 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.579 -6.819 7.466 1.00 0.00 H new ATOM 808 N ALA A 60 1.011 -4.966 1.805 1.00 0.00 N ATOM 809 CA ALA A 60 0.766 -3.534 1.658 1.00 0.00 C ATOM 810 C ALA A 60 1.934 -2.719 2.209 1.00 0.00 C ATOM 811 O ALA A 60 2.318 -2.883 3.368 1.00 0.00 O ATOM 812 CB ALA A 60 -0.530 -3.164 2.372 1.00 0.00 C ATOM 0 H ALA A 60 0.603 -5.373 2.647 1.00 0.00 H new ATOM 0 HA ALA A 60 0.671 -3.301 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.713 -2.095 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.358 -3.721 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.446 -3.411 3.430 1.00 0.00 H new ATOM 818 N ARG A 61 2.498 -1.837 1.379 1.00 0.00 N ATOM 819 CA ARG A 61 3.621 -1.008 1.806 1.00 0.00 C ATOM 820 C ARG A 61 3.612 0.337 1.082 1.00 0.00 C ATOM 821 O ARG A 61 3.583 0.398 -0.148 1.00 0.00 O ATOM 822 CB ARG A 61 4.953 -1.745 1.584 1.00 0.00 C ATOM 823 CG ARG A 61 5.362 -1.891 0.125 1.00 0.00 C ATOM 824 CD ARG A 61 6.550 -2.828 -0.028 1.00 0.00 C ATOM 825 NE ARG A 61 7.690 -2.414 0.786 1.00 0.00 N ATOM 826 CZ ARG A 61 8.806 -3.127 0.909 1.00 0.00 C ATOM 827 NH1 ARG A 61 8.928 -4.287 0.274 1.00 0.00 N ATOM 828 NH2 ARG A 61 9.801 -2.685 1.667 1.00 0.00 N ATOM 0 H ARG A 61 2.197 -1.682 0.417 1.00 0.00 H new ATOM 0 HA ARG A 61 3.515 -0.813 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.741 -1.212 2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.882 -2.738 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.520 -2.271 -0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.614 -0.912 -0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.252 -3.838 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.849 -2.865 -1.076 1.00 0.00 H new ATOM 0 HE ARG A 61 7.627 -1.528 1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.165 -4.632 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.784 -4.833 0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.712 -1.795 2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.655 -3.235 1.759 1.00 0.00 H new ATOM 842 N CYS A 62 3.626 1.416 1.861 1.00 0.00 N ATOM 843 CA CYS A 62 3.612 2.766 1.311 1.00 0.00 C ATOM 844 C CYS A 62 5.026 3.224 0.969 1.00 0.00 C ATOM 845 O CYS A 62 5.779 3.645 1.847 1.00 0.00 O ATOM 846 CB CYS A 62 2.982 3.735 2.320 1.00 0.00 C ATOM 847 SG CYS A 62 1.380 3.190 2.986 1.00 0.00 S ATOM 0 H CYS A 62 3.647 1.379 2.880 1.00 0.00 H new ATOM 0 HA CYS A 62 3.019 2.759 0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.676 3.880 3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.851 4.705 1.841 1.00 0.00 H new ATOM 852 N CYS A 63 5.387 3.135 -0.309 1.00 0.00 N ATOM 853 CA CYS A 63 6.715 3.550 -0.749 1.00 0.00 C ATOM 854 C CYS A 63 6.726 5.014 -1.166 1.00 0.00 C ATOM 855 O CYS A 63 5.767 5.521 -1.749 1.00 0.00 O ATOM 856 CB CYS A 63 7.223 2.672 -1.898 1.00 0.00 C ATOM 857 SG CYS A 63 7.744 1.008 -1.376 1.00 0.00 S ATOM 0 H CYS A 63 4.784 2.782 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 63 7.387 3.427 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.436 2.578 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.064 3.171 -2.380 1.00 0.00 H new ATOM 862 N VAL A 64 7.830 5.679 -0.855 1.00 0.00 N ATOM 863 CA VAL A 64 8.010 7.090 -1.174 1.00 0.00 C ATOM 864 C VAL A 64 8.860 7.254 -2.434 1.00 0.00 C ATOM 865 O VAL A 64 9.758 6.454 -2.696 1.00 0.00 O ATOM 866 CB VAL A 64 8.658 7.830 0.025 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.525 6.883 0.823 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.480 9.028 -0.416 1.00 0.00 C ATOM 0 H VAL A 64 8.625 5.257 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 64 7.032 7.531 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 64 7.844 8.197 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.972 7.418 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.915 6.062 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.313 6.485 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.913 9.514 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.278 8.697 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.839 9.735 -0.943 1.00 0.00 H new ATOM 878 N LEU A 65 8.557 8.294 -3.209 1.00 0.00 N ATOM 879 CA LEU A 65 9.275 8.569 -4.452 1.00 0.00 C ATOM 880 C LEU A 65 10.791 8.542 -4.242 1.00 0.00 C ATOM 881 O LEU A 65 11.299 9.140 -3.293 1.00 0.00 O ATOM 882 CB LEU A 65 8.858 9.929 -5.015 1.00 0.00 C ATOM 883 CG LEU A 65 7.772 9.880 -6.092 1.00 0.00 C ATOM 884 CD1 LEU A 65 7.260 11.276 -6.393 1.00 0.00 C ATOM 885 CD2 LEU A 65 8.302 9.225 -7.360 1.00 0.00 C ATOM 0 H LEU A 65 7.816 8.962 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 65 9.015 7.785 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.505 10.552 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.739 10.418 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 65 6.944 9.280 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.488 11.223 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.841 11.713 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.083 11.897 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.514 9.200 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.148 9.798 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.623 8.208 -7.137 1.00 0.00 H new ATOM 897 N PRO A 66 11.538 7.849 -5.128 1.00 0.00 N ATOM 898 CA PRO A 66 12.999 7.752 -5.026 1.00 0.00 C ATOM 899 C PRO A 66 13.689 9.101 -5.196 1.00 0.00 C ATOM 900 O PRO A 66 13.302 9.905 -6.043 1.00 0.00 O ATOM 901 CB PRO A 66 13.392 6.817 -6.178 1.00 0.00 C ATOM 902 CG PRO A 66 12.128 6.125 -6.570 1.00 0.00 C ATOM 903 CD PRO A 66 11.026 7.103 -6.292 1.00 0.00 C ATOM 0 HA PRO A 66 13.302 7.391 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.810 7.377 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.151 6.101 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.146 5.844 -7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.991 5.207 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.842 7.758 -7.143 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.085 6.600 -6.068 1.00 0.00 H new ATOM 911 N ILE A 67 14.719 9.335 -4.389 1.00 0.00 N ATOM 912 CA ILE A 67 15.478 10.577 -4.447 1.00 0.00 C ATOM 913 C ILE A 67 16.970 10.279 -4.545 1.00 0.00 C ATOM 914 O ILE A 67 17.580 9.805 -3.587 1.00 0.00 O ATOM 915 CB ILE A 67 15.219 11.466 -3.214 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.726 11.779 -3.076 1.00 0.00 C ATOM 917 CG2 ILE A 67 16.032 12.752 -3.299 1.00 0.00 C ATOM 918 CD1 ILE A 67 13.145 12.510 -4.266 1.00 0.00 C ATOM 0 H ILE A 67 15.048 8.676 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 67 15.147 11.117 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 67 15.536 10.919 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.180 10.847 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.571 12.381 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.835 13.366 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 67 17.094 12.509 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.749 13.303 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.085 12.697 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.664 13.459 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.267 11.901 -5.162 1.00 0.00 H new ATOM 930 N LEU A 68 17.545 10.550 -5.713 1.00 0.00 N ATOM 931 CA LEU A 68 18.966 10.308 -5.948 1.00 0.00 C ATOM 932 C LEU A 68 19.806 10.833 -4.785 1.00 0.00 C ATOM 933 O LEU A 68 19.940 12.044 -4.603 1.00 0.00 O ATOM 934 CB LEU A 68 19.412 10.981 -7.256 1.00 0.00 C ATOM 935 CG LEU A 68 19.052 10.256 -8.564 1.00 0.00 C ATOM 936 CD1 LEU A 68 20.160 9.297 -8.971 1.00 0.00 C ATOM 937 CD2 LEU A 68 17.734 9.512 -8.438 1.00 0.00 C ATOM 0 H LEU A 68 17.047 10.939 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 68 19.117 9.232 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.977 11.980 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.494 11.105 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 68 18.942 11.013 -9.340 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.884 8.795 -9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.086 9.853 -9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 68 20.305 8.555 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.508 9.010 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.809 8.772 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.938 10.219 -8.203 1.00 0.00 H new ATOM 949 N GLY A 69 20.372 9.916 -4.002 1.00 0.00 N ATOM 950 CA GLY A 69 21.191 10.309 -2.868 1.00 0.00 C ATOM 951 C GLY A 69 20.769 9.628 -1.580 1.00 0.00 C ATOM 952 O GLY A 69 21.500 9.655 -0.589 1.00 0.00 O ATOM 0 H GLY A 69 20.278 8.909 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.234 10.069 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.132 11.390 -2.739 1.00 0.00 H new ATOM 956 N GLN A 70 19.588 9.015 -1.592 1.00 0.00 N ATOM 957 CA GLN A 70 19.072 8.327 -0.415 1.00 0.00 C ATOM 958 C GLN A 70 18.528 6.957 -0.774 1.00 0.00 C ATOM 959 O GLN A 70 18.344 6.624 -1.945 1.00 0.00 O ATOM 960 CB GLN A 70 17.970 9.154 0.254 1.00 0.00 C ATOM 961 CG GLN A 70 16.667 9.176 -0.535 1.00 0.00 C ATOM 962 CD GLN A 70 15.648 10.148 0.033 1.00 0.00 C ATOM 963 OE1 GLN A 70 16.128 11.250 0.599 1.00 0.00 O flip ATOM 964 NE2 GLN A 70 14.442 9.916 -0.047 1.00 0.00 N flip ATOM 0 H GLN A 70 18.972 8.981 -2.404 1.00 0.00 H new ATOM 0 HA GLN A 70 19.902 8.202 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.777 8.752 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.323 10.177 0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.879 9.444 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.238 8.174 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.116 9.057 -0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.768 10.583 0.330 1.00 0.00 H new ATOM 973 N ASP A 71 18.278 6.173 0.258 1.00 0.00 N ATOM 974 CA ASP A 71 17.746 4.827 0.099 1.00 0.00 C ATOM 975 C ASP A 71 16.227 4.863 -0.057 1.00 0.00 C ATOM 976 O ASP A 71 15.599 5.901 0.145 1.00 0.00 O ATOM 977 CB ASP A 71 18.130 3.965 1.306 1.00 0.00 C ATOM 978 CG ASP A 71 17.721 2.514 1.142 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.307 1.826 0.281 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.813 2.067 1.874 1.00 0.00 O ATOM 0 H ASP A 71 18.436 6.447 1.228 1.00 0.00 H new ATOM 0 HA ASP A 71 18.175 4.390 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.208 4.020 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.661 4.372 2.202 1.00 0.00 H new ATOM 985 N ILE A 72 15.647 3.724 -0.422 1.00 0.00 N ATOM 986 CA ILE A 72 14.204 3.623 -0.602 1.00 0.00 C ATOM 987 C ILE A 72 13.506 3.385 0.740 1.00 0.00 C ATOM 988 O ILE A 72 13.867 2.474 1.486 1.00 0.00 O ATOM 989 CB ILE A 72 13.841 2.495 -1.602 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.364 2.584 -1.992 1.00 0.00 C ATOM 991 CG2 ILE A 72 14.157 1.120 -1.025 1.00 0.00 C ATOM 992 CD1 ILE A 72 11.967 1.617 -3.088 1.00 0.00 C ATOM 0 H ILE A 72 16.155 2.858 -0.599 1.00 0.00 H new ATOM 0 HA ILE A 72 13.855 4.569 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 72 14.450 2.630 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.752 2.392 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.144 3.600 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.891 0.351 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.222 1.055 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.584 0.969 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.907 1.736 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.553 1.822 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.155 0.595 -2.758 1.00 0.00 H new ATOM 1004 N LEU A 73 12.519 4.224 1.054 1.00 0.00 N ATOM 1005 CA LEU A 73 11.787 4.108 2.311 1.00 0.00 C ATOM 1006 C LEU A 73 10.425 3.446 2.101 1.00 0.00 C ATOM 1007 O LEU A 73 9.537 4.013 1.467 1.00 0.00 O ATOM 1008 CB LEU A 73 11.609 5.492 2.955 1.00 0.00 C ATOM 1009 CG LEU A 73 12.852 6.058 3.659 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.334 5.113 4.751 1.00 0.00 C ATOM 1011 CD2 LEU A 73 13.964 6.326 2.654 1.00 0.00 C ATOM 0 H LEU A 73 12.210 4.990 0.455 1.00 0.00 H new ATOM 0 HA LEU A 73 12.370 3.476 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.298 6.196 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.797 5.435 3.680 1.00 0.00 H new ATOM 0 HG LEU A 73 12.575 7.004 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.215 5.535 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.544 4.977 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.589 4.149 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.835 6.726 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.235 5.396 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.619 7.048 1.914 1.00 0.00 H new ATOM 1023 N CYS A 74 10.271 2.236 2.636 1.00 0.00 N ATOM 1024 CA CYS A 74 9.017 1.495 2.518 1.00 0.00 C ATOM 1025 C CYS A 74 8.738 0.699 3.792 1.00 0.00 C ATOM 1026 O CYS A 74 9.634 0.050 4.332 1.00 0.00 O ATOM 1027 CB CYS A 74 9.068 0.543 1.319 1.00 0.00 C ATOM 1028 SG CYS A 74 9.415 1.360 -0.273 1.00 0.00 S ATOM 0 H CYS A 74 11.000 1.748 3.156 1.00 0.00 H new ATOM 0 HA CYS A 74 8.213 2.216 2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.833 -0.211 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.115 0.019 1.245 1.00 0.00 H new ATOM 1033 N GLN A 75 7.496 0.751 4.273 1.00 0.00 N ATOM 1034 CA GLN A 75 7.118 0.025 5.484 1.00 0.00 C ATOM 1035 C GLN A 75 5.610 -0.205 5.536 1.00 0.00 C ATOM 1036 O GLN A 75 4.859 0.334 4.723 1.00 0.00 O ATOM 1037 CB GLN A 75 7.574 0.790 6.730 1.00 0.00 C ATOM 1038 CG GLN A 75 6.730 2.023 7.037 1.00 0.00 C ATOM 1039 CD GLN A 75 7.141 2.711 8.326 1.00 0.00 C ATOM 1040 OE1 GLN A 75 6.308 3.285 9.026 1.00 0.00 O ATOM 1041 NE2 GLN A 75 8.431 2.663 8.642 1.00 0.00 N ATOM 0 H GLN A 75 6.739 1.285 3.845 1.00 0.00 H new ATOM 0 HA GLN A 75 7.614 -0.946 5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.546 0.119 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.612 1.095 6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.813 2.729 6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.682 1.733 7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.088 2.176 8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.764 3.113 9.494 1.00 0.00 H new ATOM 1050 N THR A 76 5.177 -1.011 6.501 1.00 0.00 N ATOM 1051 CA THR A 76 3.764 -1.320 6.672 1.00 0.00 C ATOM 1052 C THR A 76 3.151 -0.456 7.778 1.00 0.00 C ATOM 1053 O THR A 76 3.760 -0.272 8.831 1.00 0.00 O ATOM 1054 CB THR A 76 3.573 -2.807 7.019 1.00 0.00 C ATOM 1055 OG1 THR A 76 4.137 -3.625 5.986 1.00 0.00 O ATOM 1056 CG2 THR A 76 2.102 -3.147 7.188 1.00 0.00 C ATOM 0 H THR A 76 5.790 -1.464 7.179 1.00 0.00 H new ATOM 0 HA THR A 76 3.259 -1.105 5.731 1.00 0.00 H new ATOM 0 HB THR A 76 4.082 -3.001 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.652 -3.474 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.999 -4.204 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.680 -2.545 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.571 -2.936 6.260 1.00 0.00 H new ATOM 1064 N PRO A 77 1.935 0.085 7.557 1.00 0.00 N ATOM 1065 CA PRO A 77 1.264 0.936 8.536 1.00 0.00 C ATOM 1066 C PRO A 77 0.429 0.142 9.537 1.00 0.00 C ATOM 1067 O PRO A 77 -0.200 -0.853 9.182 1.00 0.00 O ATOM 1068 CB PRO A 77 0.368 1.799 7.654 1.00 0.00 C ATOM 1069 CG PRO A 77 -0.017 0.904 6.522 1.00 0.00 C ATOM 1070 CD PRO A 77 1.113 -0.085 6.342 1.00 0.00 C ATOM 0 HA PRO A 77 1.967 1.495 9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.509 2.148 8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.895 2.684 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.952 0.387 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.175 1.480 5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.740 -1.105 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.687 0.125 5.439 1.00 0.00 H new ATOM 1078 N ALA A 78 0.439 0.591 10.789 1.00 0.00 N ATOM 1079 CA ALA A 78 -0.319 -0.059 11.856 1.00 0.00 C ATOM 1080 C ALA A 78 0.157 -1.488 12.099 1.00 0.00 C ATOM 1081 O ALA A 78 -0.445 -2.227 12.879 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.807 -0.044 11.535 1.00 0.00 C ATOM 0 H ALA A 78 0.968 1.409 11.092 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.147 0.506 12.772 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.358 -0.532 12.339 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.147 0.987 11.435 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.983 -0.576 10.600 1.00 0.00 H new ATOM 1088 N GLY A 79 1.239 -1.876 11.430 1.00 0.00 N ATOM 1089 CA GLY A 79 1.773 -3.212 11.595 1.00 0.00 C ATOM 1090 C GLY A 79 0.873 -4.268 10.990 1.00 0.00 C ATOM 1091 O GLY A 79 0.742 -5.367 11.530 1.00 0.00 O ATOM 0 H GLY A 79 1.754 -1.287 10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.758 -3.267 11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.909 -3.418 12.657 1.00 0.00 H new ATOM 1095 N LEU A 80 0.246 -3.930 9.867 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.649 -4.854 9.179 1.00 0.00 C ATOM 1097 C LEU A 80 0.063 -6.163 8.851 1.00 0.00 C ATOM 1098 O LEU A 80 0.871 -6.174 7.898 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.189 -4.219 7.898 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.132 -3.038 8.113 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.228 -2.200 6.855 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.504 -3.535 8.531 1.00 0.00 C ATOM 1103 OXT LEU A 80 -0.194 -7.166 9.550 1.00 0.00 O ATOM 0 H LEU A 80 0.342 -3.021 9.414 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.483 -5.073 9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.346 -3.886 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.713 -4.983 7.324 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.732 -2.411 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.904 -1.363 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.240 -1.821 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.609 -2.813 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.169 -2.684 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.910 -4.180 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.419 -4.098 9.460 1.00 0.00 H new TER 1115 LEU A 80