USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 919 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 33 ASN : amide:sc= -9.4! C(o=-12!,f=-7.8!) USER MOD Set 1.2: A 110 CYS SG : rot -70:sc= -2.29 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -127:sc= 1.78 (180deg=0.0176) USER MOD Set 2.2: A 67 TYR OH : rot -122:sc= 0.412 USER MOD Set 2.3: A 103 CYS SG : rot -51:sc= -3.13 USER MOD Set 3.1: A 58 THR OG1 : rot -148:sc= 1.21 USER MOD Set 3.2: A 60 GLN : amide:sc= 1.03 K(o=2.2,f=1.1) USER MOD Set 4.1: A 43 SER OG : rot -132:sc= 1.1 USER MOD Set 4.2: A 45 SER OG : rot -32:sc= -0.842 USER MOD Set 4.3: A 46 ASN : amide:sc= -6.89! C(o=-6.6!,f=-20!) USER MOD Set 5.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 13 LYS NZ :NH3+ 177:sc= 0.598 (180deg=-0.343) USER MOD Set 6.2: A 112 ASN : amide:sc= 0.633 K(o=1.2,f=-4.7) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.128 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 131:sc= -0.868 USER MOD Single : A 18 THR OG1 : rot -60:sc= 0.465 USER MOD Single : A 27 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 32 MET CE :methyl -111:sc=-0.00757 (180deg=-1.81) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0766) USER MOD Single : A 37 SER OG : rot -72:sc= 0.443 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -128:sc= 1.07 (180deg=0.22) USER MOD Single : A 59 THR OG1 : rot -26:sc= 0.405 USER MOD Single : A 66 HIS : no HD1:sc= -0.573 K(o=-0.57,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -9:sc= 0.796 USER MOD Single : A 74 ASN : amide:sc= -0.438 K(o=-0.44,f=-3!) USER MOD Single : A 77 TYR OH : rot -18:sc= 0.00411 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 89 GLN : amide:sc= -2.57! K(o=-2.6!,f=-0.12) USER MOD Single : A 93 GLN : amide:sc= -0.438 K(o=-0.44,f=-3.5!) USER MOD Single : A 94 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-0.92) USER MOD Single : A 95 TYR OH : rot 151:sc= 0 USER MOD Single : A 96 SER OG : rot 64:sc= 0.925 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.94) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0685 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.259 10.363 -20.113 1.00 0.00 N ATOM 2 CA GLY A 1 -14.548 10.733 -20.686 1.00 0.00 C ATOM 3 C GLY A 1 -14.656 10.288 -22.133 1.00 0.00 C ATOM 4 O GLY A 1 -13.755 9.643 -22.654 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.410 9.864 -19.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.751 9.741 -20.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.696 11.221 -19.943 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.351 10.281 -20.103 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.679 11.813 -20.625 1.00 0.00 H new ATOM 10 N SER A 2 -15.802 10.668 -22.740 1.00 0.00 N ATOM 11 CA SER A 2 -16.059 10.318 -24.132 1.00 0.00 C ATOM 12 C SER A 2 -16.190 8.793 -24.279 1.00 0.00 C ATOM 13 O SER A 2 -16.086 8.032 -23.323 1.00 0.00 O ATOM 14 CB SER A 2 -14.918 10.894 -25.033 1.00 0.00 C ATOM 15 OG SER A 2 -14.413 12.265 -24.765 1.00 0.00 O ATOM 0 H SER A 2 -16.542 11.206 -22.289 1.00 0.00 H new ATOM 0 HA SER A 2 -17.002 10.758 -24.457 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.070 10.212 -24.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.268 10.868 -26.065 1.00 0.00 H new ATOM 0 HG SER A 2 -13.704 12.483 -25.405 1.00 0.00 H new ATOM 21 N VAL A 3 -16.433 8.402 -25.542 1.00 0.00 N ATOM 22 CA VAL A 3 -16.533 6.979 -25.833 1.00 0.00 C ATOM 23 C VAL A 3 -15.141 6.337 -25.674 1.00 0.00 C ATOM 24 O VAL A 3 -14.115 6.999 -25.779 1.00 0.00 O ATOM 25 CB VAL A 3 -17.062 6.793 -27.260 1.00 0.00 C ATOM 26 CG1 VAL A 3 -16.069 7.308 -28.321 1.00 0.00 C ATOM 27 CG2 VAL A 3 -17.449 5.325 -27.513 1.00 0.00 C ATOM 0 H VAL A 3 -16.558 9.026 -26.339 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.223 6.495 -25.142 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.962 7.401 -27.355 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.488 7.155 -29.316 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -15.887 8.371 -28.164 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -15.129 6.763 -28.235 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.822 5.217 -28.532 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -16.574 4.689 -27.378 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -18.226 5.027 -26.809 1.00 0.00 H new ATOM 37 N ALA A 4 -15.180 5.024 -25.405 1.00 0.00 N ATOM 38 CA ALA A 4 -13.938 4.290 -25.226 1.00 0.00 C ATOM 39 C ALA A 4 -14.207 2.798 -25.470 1.00 0.00 C ATOM 40 O ALA A 4 -14.513 2.059 -24.543 1.00 0.00 O ATOM 41 CB ALA A 4 -13.390 4.542 -23.815 1.00 0.00 C ATOM 0 H ALA A 4 -16.032 4.471 -25.311 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.186 4.628 -25.939 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.459 3.991 -23.683 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -13.203 5.608 -23.682 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.118 4.207 -23.077 1.00 0.00 H new ATOM 47 N PRO A 5 -14.087 2.374 -26.764 1.00 0.00 N ATOM 48 CA PRO A 5 -14.303 0.977 -27.125 1.00 0.00 C ATOM 49 C PRO A 5 -13.279 0.037 -26.468 1.00 0.00 C ATOM 50 O PRO A 5 -13.629 -0.900 -25.763 1.00 0.00 O ATOM 51 CB PRO A 5 -14.194 0.925 -28.661 1.00 0.00 C ATOM 52 CG PRO A 5 -13.908 2.351 -29.147 1.00 0.00 C ATOM 53 CD PRO A 5 -13.782 3.236 -27.907 1.00 0.00 C ATOM 0 HA PRO A 5 -15.275 0.634 -26.771 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.397 0.248 -28.967 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.118 0.548 -29.099 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.991 2.380 -29.735 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -14.712 2.706 -29.792 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.778 3.652 -27.825 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.473 4.078 -27.956 1.00 0.00 H new ATOM 61 N VAL A 6 -11.999 0.371 -26.741 1.00 0.00 N ATOM 62 CA VAL A 6 -10.890 -0.414 -26.214 1.00 0.00 C ATOM 63 C VAL A 6 -9.768 0.538 -25.770 1.00 0.00 C ATOM 64 O VAL A 6 -9.186 1.259 -26.573 1.00 0.00 O ATOM 65 CB VAL A 6 -10.376 -1.394 -27.292 1.00 0.00 C ATOM 66 CG1 VAL A 6 -9.239 -2.293 -26.771 1.00 0.00 C ATOM 67 CG2 VAL A 6 -11.519 -2.259 -27.853 1.00 0.00 C ATOM 0 H VAL A 6 -11.723 1.168 -27.315 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.226 -0.997 -25.356 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.972 -0.781 -28.097 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.912 -2.964 -27.566 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.401 -1.672 -26.453 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.598 -2.880 -25.925 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.124 -2.938 -28.609 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.968 -2.837 -27.045 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.275 -1.616 -28.302 1.00 0.00 H new ATOM 77 N GLU A 7 -9.507 0.471 -24.444 1.00 0.00 N ATOM 78 CA GLU A 7 -8.445 1.276 -23.838 1.00 0.00 C ATOM 79 C GLU A 7 -7.087 0.858 -24.397 1.00 0.00 C ATOM 80 O GLU A 7 -6.860 -0.295 -24.740 1.00 0.00 O ATOM 81 CB GLU A 7 -8.425 1.068 -22.320 1.00 0.00 C ATOM 82 CG GLU A 7 -9.459 1.948 -21.606 1.00 0.00 C ATOM 83 CD GLU A 7 -9.707 1.443 -20.176 1.00 0.00 C ATOM 84 OE1 GLU A 7 -8.752 1.378 -19.401 1.00 0.00 O ATOM 85 OE2 GLU A 7 -10.850 1.119 -19.853 1.00 0.00 O ATOM 0 H GLU A 7 -10.014 -0.125 -23.790 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.638 2.324 -24.068 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.623 0.020 -22.095 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.430 1.294 -21.936 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.108 2.980 -21.577 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.395 1.945 -22.165 1.00 0.00 H new ATOM 92 N THR A 8 -6.214 1.877 -24.454 1.00 0.00 N ATOM 93 CA THR A 8 -4.890 1.648 -25.007 1.00 0.00 C ATOM 94 C THR A 8 -3.837 2.588 -24.362 1.00 0.00 C ATOM 95 O THR A 8 -2.914 2.146 -23.688 1.00 0.00 O ATOM 96 CB THR A 8 -4.982 1.723 -26.563 1.00 0.00 C ATOM 97 OG1 THR A 8 -5.795 2.848 -27.053 1.00 0.00 O ATOM 98 CG2 THR A 8 -5.257 0.278 -27.147 1.00 0.00 C ATOM 0 H THR A 8 -6.399 2.828 -24.135 1.00 0.00 H new ATOM 0 HA THR A 8 -4.531 0.649 -24.760 1.00 0.00 H new ATOM 0 HB THR A 8 -4.020 2.007 -26.989 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.300 3.332 -27.746 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.321 0.331 -28.234 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.443 -0.390 -26.864 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.196 -0.104 -26.746 1.00 0.00 H new ATOM 106 N LEU A 9 -4.036 3.897 -24.606 1.00 0.00 N ATOM 107 CA LEU A 9 -3.148 4.928 -24.061 1.00 0.00 C ATOM 108 C LEU A 9 -3.563 5.236 -22.614 1.00 0.00 C ATOM 109 O LEU A 9 -4.636 4.858 -22.164 1.00 0.00 O ATOM 110 CB LEU A 9 -3.162 6.215 -24.927 1.00 0.00 C ATOM 111 CG LEU A 9 -4.542 6.728 -25.396 1.00 0.00 C ATOM 112 CD1 LEU A 9 -5.075 5.906 -26.564 1.00 0.00 C ATOM 113 CD2 LEU A 9 -5.593 6.777 -24.268 1.00 0.00 C ATOM 0 H LEU A 9 -4.801 4.259 -25.175 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.126 4.551 -24.074 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.679 7.011 -24.360 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.549 6.036 -25.810 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.374 7.754 -25.724 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.047 6.294 -26.868 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.380 5.970 -27.401 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.179 4.865 -26.259 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.538 7.146 -24.667 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.737 5.776 -23.861 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.248 7.444 -23.478 1.00 0.00 H new ATOM 125 N GLU A 10 -2.640 5.937 -21.920 1.00 0.00 N ATOM 126 CA GLU A 10 -2.872 6.360 -20.539 1.00 0.00 C ATOM 127 C GLU A 10 -3.162 5.152 -19.627 1.00 0.00 C ATOM 128 O GLU A 10 -4.186 5.098 -18.958 1.00 0.00 O ATOM 129 CB GLU A 10 -4.025 7.389 -20.493 1.00 0.00 C ATOM 130 CG GLU A 10 -3.594 8.782 -20.968 1.00 0.00 C ATOM 131 CD GLU A 10 -4.826 9.677 -21.183 1.00 0.00 C ATOM 132 OE1 GLU A 10 -5.408 10.129 -20.196 1.00 0.00 O ATOM 133 OE2 GLU A 10 -5.193 9.908 -22.334 1.00 0.00 O ATOM 0 H GLU A 10 -1.735 6.216 -22.299 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.967 6.836 -20.162 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.847 7.036 -21.115 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.404 7.458 -19.473 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.930 9.236 -20.232 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.030 8.699 -21.897 1.00 0.00 H new ATOM 140 N VAL A 11 -2.199 4.202 -19.635 1.00 0.00 N ATOM 141 CA VAL A 11 -2.349 2.997 -18.812 1.00 0.00 C ATOM 142 C VAL A 11 -1.088 2.112 -18.934 1.00 0.00 C ATOM 143 O VAL A 11 -1.122 1.024 -19.490 1.00 0.00 O ATOM 144 CB VAL A 11 -3.605 2.190 -19.220 1.00 0.00 C ATOM 145 CG1 VAL A 11 -3.666 1.886 -20.731 1.00 0.00 C ATOM 146 CG2 VAL A 11 -3.705 0.918 -18.367 1.00 0.00 C ATOM 0 H VAL A 11 -1.341 4.248 -20.184 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.471 3.310 -17.775 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.478 2.813 -19.022 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.570 1.318 -20.952 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.680 2.822 -21.290 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.792 1.303 -21.020 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.591 0.353 -18.658 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.817 0.305 -18.522 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.778 1.191 -17.314 1.00 0.00 H new ATOM 156 N GLU A 12 0.004 2.636 -18.355 1.00 0.00 N ATOM 157 CA GLU A 12 1.291 1.950 -18.419 1.00 0.00 C ATOM 158 C GLU A 12 2.220 2.390 -17.359 1.00 0.00 C ATOM 159 O GLU A 12 3.377 2.569 -17.665 1.00 0.00 O ATOM 160 CB GLU A 12 1.915 2.014 -19.829 1.00 0.00 C ATOM 161 CG GLU A 12 1.286 1.051 -20.847 1.00 0.00 C ATOM 162 CD GLU A 12 2.311 0.622 -21.908 1.00 0.00 C ATOM 163 OE1 GLU A 12 2.582 1.406 -22.816 1.00 0.00 O ATOM 164 OE2 GLU A 12 2.830 -0.490 -21.807 1.00 0.00 O ATOM 0 H GLU A 12 0.016 3.520 -17.846 1.00 0.00 H new ATOM 0 HA GLU A 12 1.093 0.896 -18.221 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.824 3.032 -20.207 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.980 1.796 -19.752 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.902 0.171 -20.331 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.436 1.533 -21.331 1.00 0.00 H new ATOM 171 N LYS A 13 1.681 2.446 -16.124 1.00 0.00 N ATOM 172 CA LYS A 13 2.359 2.816 -14.911 1.00 0.00 C ATOM 173 C LYS A 13 1.489 2.622 -13.691 1.00 0.00 C ATOM 174 O LYS A 13 1.330 3.501 -12.859 1.00 0.00 O ATOM 175 CB LYS A 13 2.870 4.204 -14.978 1.00 0.00 C ATOM 176 CG LYS A 13 4.202 4.284 -15.622 1.00 0.00 C ATOM 177 CD LYS A 13 5.145 3.143 -15.389 1.00 0.00 C ATOM 178 CE LYS A 13 6.584 3.434 -15.798 1.00 0.00 C ATOM 179 NZ LYS A 13 6.833 3.343 -17.235 1.00 0.00 N ATOM 0 H LYS A 13 0.701 2.216 -15.961 1.00 0.00 H new ATOM 0 HA LYS A 13 3.213 2.145 -14.812 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.164 4.822 -15.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.931 4.615 -13.970 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.052 4.384 -16.697 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.688 5.198 -15.281 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.125 2.879 -14.332 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.790 2.273 -15.942 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.850 4.435 -15.458 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.244 2.736 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.820 3.604 -17.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.661 2.369 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.195 3.991 -17.740 1.00 0.00 H new ATOM 193 N TRP A 14 0.979 1.406 -13.588 1.00 0.00 N ATOM 194 CA TRP A 14 0.197 1.075 -12.396 1.00 0.00 C ATOM 195 C TRP A 14 0.456 -0.415 -12.048 1.00 0.00 C ATOM 196 O TRP A 14 0.850 -0.726 -10.932 1.00 0.00 O ATOM 197 CB TRP A 14 -1.268 1.537 -12.472 1.00 0.00 C ATOM 198 CG TRP A 14 -2.239 0.582 -13.123 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.865 0.777 -14.343 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.780 -0.632 -12.588 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.737 -0.231 -14.581 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.722 -1.125 -13.514 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.535 -1.303 -11.431 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.391 -2.283 -13.209 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.207 -2.476 -11.159 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.129 -2.962 -12.052 1.00 0.00 C ATOM 0 H TRP A 14 1.081 0.660 -14.276 1.00 0.00 H new ATOM 0 HA TRP A 14 0.534 1.657 -11.538 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.615 1.740 -11.459 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.301 2.481 -13.015 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.684 1.610 -15.006 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.317 -0.322 -15.415 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.814 -0.917 -10.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.135 -2.664 -13.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.008 -3.012 -10.243 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.649 -3.884 -11.840 1.00 0.00 H new ATOM 217 N PHE A 15 0.245 -1.306 -13.061 1.00 0.00 N ATOM 218 CA PHE A 15 0.480 -2.743 -12.871 1.00 0.00 C ATOM 219 C PHE A 15 1.956 -3.060 -13.182 1.00 0.00 C ATOM 220 O PHE A 15 2.298 -3.523 -14.262 1.00 0.00 O ATOM 221 CB PHE A 15 -0.454 -3.589 -13.773 1.00 0.00 C ATOM 222 CG PHE A 15 -0.475 -5.054 -13.404 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.731 -5.447 -12.094 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.244 -6.036 -14.368 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.759 -6.794 -11.760 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.271 -7.382 -14.032 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.530 -7.758 -12.726 1.00 0.00 C ATOM 0 H PHE A 15 -0.080 -1.048 -13.993 1.00 0.00 H new ATOM 0 HA PHE A 15 0.259 -3.001 -11.835 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.467 -3.191 -13.710 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.136 -3.487 -14.810 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.909 -4.701 -11.334 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.042 -5.745 -15.388 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.960 -7.091 -10.741 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.091 -8.133 -14.787 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.553 -8.805 -12.460 1.00 0.00 H new ATOM 237 N PHE A 16 2.793 -2.809 -12.158 1.00 0.00 N ATOM 238 CA PHE A 16 4.239 -3.030 -12.278 1.00 0.00 C ATOM 239 C PHE A 16 4.575 -4.389 -11.649 1.00 0.00 C ATOM 240 O PHE A 16 3.774 -4.994 -10.952 1.00 0.00 O ATOM 241 CB PHE A 16 4.971 -1.859 -11.554 1.00 0.00 C ATOM 242 CG PHE A 16 5.937 -1.084 -12.421 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.610 -0.719 -13.725 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.186 -0.728 -11.924 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.520 -0.047 -14.525 1.00 0.00 C ATOM 246 CE2 PHE A 16 8.106 -0.069 -12.735 1.00 0.00 C ATOM 247 CZ PHE A 16 7.769 0.277 -14.031 1.00 0.00 C ATOM 0 H PHE A 16 2.493 -2.457 -11.249 1.00 0.00 H new ATOM 0 HA PHE A 16 4.562 -3.048 -13.319 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.224 -1.170 -11.161 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.514 -2.262 -10.699 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.634 -0.963 -14.118 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.444 -0.964 -10.902 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.253 0.224 -15.536 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.086 0.173 -12.351 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.480 0.799 -14.655 1.00 0.00 H new ATOM 257 N ARG A 17 5.842 -4.791 -11.897 1.00 0.00 N ATOM 258 CA ARG A 17 6.330 -6.085 -11.386 1.00 0.00 C ATOM 259 C ARG A 17 6.760 -5.921 -9.922 1.00 0.00 C ATOM 260 O ARG A 17 6.169 -5.137 -9.201 1.00 0.00 O ATOM 261 CB ARG A 17 7.510 -6.550 -12.275 1.00 0.00 C ATOM 262 CG ARG A 17 7.020 -7.390 -13.440 1.00 0.00 C ATOM 263 CD ARG A 17 8.184 -8.028 -14.200 1.00 0.00 C ATOM 264 NE ARG A 17 7.845 -8.257 -15.607 1.00 0.00 N ATOM 265 CZ ARG A 17 7.032 -9.252 -16.018 1.00 0.00 C ATOM 266 NH1 ARG A 17 6.542 -10.117 -15.144 1.00 0.00 N ATOM 267 NH2 ARG A 17 6.711 -9.364 -17.302 1.00 0.00 N ATOM 0 H ARG A 17 6.525 -4.254 -12.432 1.00 0.00 H new ATOM 0 HA ARG A 17 5.545 -6.840 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.050 -5.681 -12.651 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.214 -7.128 -11.677 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.353 -8.170 -13.072 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.438 -6.767 -14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.059 -7.382 -14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.451 -8.975 -13.730 1.00 0.00 H new ATOM 0 HE ARG A 17 8.243 -7.634 -16.310 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.779 -10.033 -14.155 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.928 -10.868 -15.459 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.079 -8.697 -17.980 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.096 -10.117 -17.610 1.00 0.00 H new ATOM 281 N THR A 18 7.710 -6.764 -9.486 1.00 0.00 N ATOM 282 CA THR A 18 8.170 -6.646 -8.119 1.00 0.00 C ATOM 283 C THR A 18 9.416 -5.759 -8.095 1.00 0.00 C ATOM 284 O THR A 18 10.548 -6.203 -7.944 1.00 0.00 O ATOM 285 CB THR A 18 8.547 -7.979 -7.411 1.00 0.00 C ATOM 286 OG1 THR A 18 9.455 -7.887 -6.250 1.00 0.00 O ATOM 287 CG2 THR A 18 8.849 -9.105 -8.434 1.00 0.00 C ATOM 0 H THR A 18 8.150 -7.498 -10.041 1.00 0.00 H new ATOM 0 HA THR A 18 7.321 -6.234 -7.574 1.00 0.00 H new ATOM 0 HB THR A 18 7.642 -8.287 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.306 -7.491 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.108 -10.020 -7.902 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.968 -9.281 -9.051 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.683 -8.806 -9.069 1.00 0.00 H new ATOM 295 N ILE A 19 9.103 -4.470 -8.315 1.00 0.00 N ATOM 296 CA ILE A 19 10.140 -3.460 -8.247 1.00 0.00 C ATOM 297 C ILE A 19 10.484 -3.315 -6.771 1.00 0.00 C ATOM 298 O ILE A 19 9.683 -3.625 -5.892 1.00 0.00 O ATOM 299 CB ILE A 19 9.646 -2.132 -8.827 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.785 -1.299 -9.399 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.756 -1.329 -7.880 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.313 0.092 -9.842 1.00 0.00 C ATOM 0 H ILE A 19 8.169 -4.124 -8.533 1.00 0.00 H new ATOM 0 HA ILE A 19 11.014 -3.746 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 19 8.995 -2.406 -9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.569 -1.194 -8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.224 -1.821 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.449 -0.403 -8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.873 -1.915 -7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.310 -1.095 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.158 0.652 -10.244 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.548 -0.011 -10.611 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.898 0.625 -8.987 1.00 0.00 H new ATOM 314 N SER A 20 11.719 -2.856 -6.543 1.00 0.00 N ATOM 315 CA SER A 20 12.113 -2.708 -5.152 1.00 0.00 C ATOM 316 C SER A 20 11.213 -1.631 -4.506 1.00 0.00 C ATOM 317 O SER A 20 10.628 -0.777 -5.160 1.00 0.00 O ATOM 318 CB SER A 20 13.597 -2.328 -5.070 1.00 0.00 C ATOM 319 OG SER A 20 14.068 -2.904 -3.770 1.00 0.00 O ATOM 0 H SER A 20 12.411 -2.600 -7.247 1.00 0.00 H new ATOM 0 HA SER A 20 11.986 -3.646 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.157 -2.738 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.730 -1.246 -5.095 1.00 0.00 H new ATOM 0 HG SER A 20 15.019 -2.701 -3.648 1.00 0.00 H new ATOM 325 N ARG A 21 11.207 -1.678 -3.182 1.00 0.00 N ATOM 326 CA ARG A 21 10.391 -0.748 -2.410 1.00 0.00 C ATOM 327 C ARG A 21 10.798 0.700 -2.702 1.00 0.00 C ATOM 328 O ARG A 21 10.002 1.526 -3.121 1.00 0.00 O ATOM 329 CB ARG A 21 10.524 -1.069 -0.919 1.00 0.00 C ATOM 330 CG ARG A 21 9.382 -0.464 -0.093 1.00 0.00 C ATOM 331 CD ARG A 21 8.194 -1.422 0.044 1.00 0.00 C ATOM 332 NE ARG A 21 7.345 -1.377 -1.143 1.00 0.00 N ATOM 333 CZ ARG A 21 6.123 -1.944 -1.168 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.649 -2.585 -0.107 1.00 0.00 N ATOM 335 NH2 ARG A 21 5.382 -1.852 -2.263 1.00 0.00 N ATOM 0 H ARG A 21 11.749 -2.339 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 21 9.346 -0.860 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.537 -2.150 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.477 -0.690 -0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.752 -0.203 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.048 0.461 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.558 -2.438 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.608 -1.157 0.924 1.00 0.00 H new ATOM 0 HE ARG A 21 7.687 -0.902 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.212 -2.653 0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.722 -3.010 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.738 -1.355 -3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.456 -2.279 -2.289 1.00 0.00 H new ATOM 349 N LYS A 22 12.106 0.932 -2.466 1.00 0.00 N ATOM 350 CA LYS A 22 12.664 2.260 -2.725 1.00 0.00 C ATOM 351 C LYS A 22 12.557 2.687 -4.188 1.00 0.00 C ATOM 352 O LYS A 22 12.674 3.862 -4.503 1.00 0.00 O ATOM 353 CB LYS A 22 14.100 2.429 -2.221 1.00 0.00 C ATOM 354 CG LYS A 22 15.048 1.361 -2.705 1.00 0.00 C ATOM 355 CD LYS A 22 15.338 1.309 -4.187 1.00 0.00 C ATOM 356 CE LYS A 22 16.758 0.852 -4.537 1.00 0.00 C ATOM 357 NZ LYS A 22 17.026 -0.532 -4.159 1.00 0.00 N ATOM 0 H LYS A 22 12.767 0.242 -2.110 1.00 0.00 H new ATOM 0 HA LYS A 22 12.034 2.930 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.473 3.403 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.094 2.429 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.995 1.488 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.646 0.393 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.625 0.635 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.172 2.299 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.915 0.966 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.476 1.504 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.001 -0.781 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.905 -0.641 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.363 -1.162 -4.654 1.00 0.00 H new ATOM 371 N ASP A 23 12.301 1.675 -5.055 1.00 0.00 N ATOM 372 CA ASP A 23 12.239 1.945 -6.467 1.00 0.00 C ATOM 373 C ASP A 23 10.902 2.603 -6.830 1.00 0.00 C ATOM 374 O ASP A 23 10.829 3.732 -7.273 1.00 0.00 O ATOM 375 CB ASP A 23 12.474 0.701 -7.356 1.00 0.00 C ATOM 376 CG ASP A 23 13.941 0.251 -7.429 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.831 1.041 -7.124 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.178 -0.897 -7.797 1.00 0.00 O ATOM 0 H ASP A 23 12.142 0.703 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 23 13.062 2.629 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.871 -0.123 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.120 0.916 -8.364 1.00 0.00 H new ATOM 383 N ALA A 24 9.840 1.833 -6.585 1.00 0.00 N ATOM 384 CA ALA A 24 8.473 2.310 -6.831 1.00 0.00 C ATOM 385 C ALA A 24 8.234 3.671 -6.136 1.00 0.00 C ATOM 386 O ALA A 24 7.537 4.531 -6.655 1.00 0.00 O ATOM 387 CB ALA A 24 7.519 1.239 -6.326 1.00 0.00 C ATOM 0 H ALA A 24 9.896 0.883 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 24 8.306 2.477 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.491 1.560 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.700 0.308 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.681 1.081 -5.260 1.00 0.00 H new ATOM 393 N GLU A 25 8.859 3.795 -4.945 1.00 0.00 N ATOM 394 CA GLU A 25 8.799 5.023 -4.170 1.00 0.00 C ATOM 395 C GLU A 25 9.524 6.162 -4.915 1.00 0.00 C ATOM 396 O GLU A 25 9.076 7.293 -4.894 1.00 0.00 O ATOM 397 CB GLU A 25 9.431 4.840 -2.788 1.00 0.00 C ATOM 398 CG GLU A 25 8.568 4.024 -1.809 1.00 0.00 C ATOM 399 CD GLU A 25 8.956 4.223 -0.327 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.779 5.086 -0.020 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.417 3.506 0.513 1.00 0.00 O ATOM 0 H GLU A 25 9.407 3.052 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 25 7.748 5.280 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.396 4.347 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.624 5.822 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.522 4.301 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.652 2.966 -2.059 1.00 0.00 H new ATOM 408 N ARG A 26 10.648 5.818 -5.593 1.00 0.00 N ATOM 409 CA ARG A 26 11.440 6.826 -6.317 1.00 0.00 C ATOM 410 C ARG A 26 10.633 7.466 -7.450 1.00 0.00 C ATOM 411 O ARG A 26 10.764 8.641 -7.761 1.00 0.00 O ATOM 412 CB ARG A 26 12.743 6.176 -6.893 1.00 0.00 C ATOM 413 CG ARG A 26 12.699 5.560 -8.322 1.00 0.00 C ATOM 414 CD ARG A 26 13.565 4.304 -8.518 1.00 0.00 C ATOM 415 NE ARG A 26 14.390 4.439 -9.718 1.00 0.00 N ATOM 416 CZ ARG A 26 15.453 3.644 -9.951 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.822 2.720 -9.079 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.151 3.774 -11.068 1.00 0.00 N ATOM 0 H ARG A 26 11.015 4.868 -5.649 1.00 0.00 H new ATOM 0 HA ARG A 26 11.708 7.610 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.524 6.936 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.054 5.391 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.665 5.311 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.018 6.318 -9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.201 4.153 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.927 3.424 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 26 14.153 5.159 -10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.299 2.599 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.630 2.128 -9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.885 4.478 -11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.955 3.170 -11.240 1.00 0.00 H new ATOM 432 N GLN A 27 9.774 6.592 -8.007 1.00 0.00 N ATOM 433 CA GLN A 27 8.941 6.990 -9.135 1.00 0.00 C ATOM 434 C GLN A 27 7.759 7.866 -8.694 1.00 0.00 C ATOM 435 O GLN A 27 7.514 8.919 -9.269 1.00 0.00 O ATOM 436 CB GLN A 27 8.446 5.766 -9.927 1.00 0.00 C ATOM 437 CG GLN A 27 9.553 4.751 -10.255 1.00 0.00 C ATOM 438 CD GLN A 27 9.048 3.632 -11.173 1.00 0.00 C ATOM 439 OE1 GLN A 27 9.528 3.426 -12.280 1.00 0.00 O ATOM 440 NE2 GLN A 27 8.041 2.924 -10.644 1.00 0.00 N ATOM 0 H GLN A 27 9.646 5.629 -7.696 1.00 0.00 H new ATOM 0 HA GLN A 27 9.568 7.590 -9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.665 5.266 -9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.991 6.106 -10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.387 5.265 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.934 4.318 -9.330 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.691 3.152 -9.714 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.625 2.157 -11.172 1.00 0.00 H new ATOM 449 N LEU A 28 7.012 7.360 -7.683 1.00 0.00 N ATOM 450 CA LEU A 28 5.872 8.115 -7.188 1.00 0.00 C ATOM 451 C LEU A 28 6.306 9.475 -6.603 1.00 0.00 C ATOM 452 O LEU A 28 5.678 10.496 -6.846 1.00 0.00 O ATOM 453 CB LEU A 28 5.103 7.237 -6.201 1.00 0.00 C ATOM 454 CG LEU A 28 4.754 5.882 -6.842 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.687 4.802 -5.779 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.427 5.992 -7.590 1.00 0.00 C ATOM 0 H LEU A 28 7.181 6.467 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 28 5.199 8.369 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.702 7.078 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.190 7.744 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 28 5.533 5.609 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.439 3.848 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.653 4.722 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.921 5.058 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.184 5.031 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.639 6.275 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.511 6.749 -8.370 1.00 0.00 H new ATOM 468 N LEU A 29 7.417 9.423 -5.821 1.00 0.00 N ATOM 469 CA LEU A 29 7.957 10.626 -5.199 1.00 0.00 C ATOM 470 C LEU A 29 8.590 11.589 -6.219 1.00 0.00 C ATOM 471 O LEU A 29 9.058 12.658 -5.848 1.00 0.00 O ATOM 472 CB LEU A 29 9.020 10.255 -4.168 1.00 0.00 C ATOM 473 CG LEU A 29 8.457 9.444 -3.003 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.592 8.711 -2.295 1.00 0.00 C ATOM 475 CD2 LEU A 29 7.704 10.344 -2.020 1.00 0.00 C ATOM 0 H LEU A 29 7.937 8.569 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 29 7.115 11.131 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.809 9.682 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.479 11.165 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 29 7.748 8.715 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.189 8.133 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.086 8.040 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.313 9.436 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.314 9.741 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.384 11.099 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.878 10.834 -2.535 1.00 0.00 H new ATOM 487 N ALA A 30 8.599 11.176 -7.507 1.00 0.00 N ATOM 488 CA ALA A 30 9.164 12.034 -8.546 1.00 0.00 C ATOM 489 C ALA A 30 8.332 13.320 -8.629 1.00 0.00 C ATOM 490 O ALA A 30 7.133 13.302 -8.373 1.00 0.00 O ATOM 491 CB ALA A 30 9.190 11.344 -9.920 1.00 0.00 C ATOM 0 H ALA A 30 8.232 10.282 -7.834 1.00 0.00 H new ATOM 0 HA ALA A 30 10.197 12.258 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.618 12.021 -10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.796 10.440 -9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.174 11.081 -10.214 1.00 0.00 H new ATOM 497 N PRO A 31 9.010 14.443 -9.009 1.00 0.00 N ATOM 498 CA PRO A 31 8.306 15.713 -9.080 1.00 0.00 C ATOM 499 C PRO A 31 7.252 15.805 -10.184 1.00 0.00 C ATOM 500 O PRO A 31 6.369 16.653 -10.144 1.00 0.00 O ATOM 501 CB PRO A 31 9.432 16.720 -9.433 1.00 0.00 C ATOM 502 CG PRO A 31 10.756 15.963 -9.520 1.00 0.00 C ATOM 503 CD PRO A 31 10.448 14.521 -9.192 1.00 0.00 C ATOM 0 HA PRO A 31 7.767 15.883 -8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.215 17.212 -10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.492 17.501 -8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.188 16.050 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.484 16.373 -8.820 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.774 13.861 -9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.972 14.207 -8.290 1.00 0.00 H new ATOM 511 N MET A 32 7.331 14.835 -11.107 1.00 0.00 N ATOM 512 CA MET A 32 6.361 14.736 -12.169 1.00 0.00 C ATOM 513 C MET A 32 5.033 14.178 -11.669 1.00 0.00 C ATOM 514 O MET A 32 3.958 14.545 -12.123 1.00 0.00 O ATOM 515 CB MET A 32 6.976 13.893 -13.273 1.00 0.00 C ATOM 516 CG MET A 32 7.778 14.708 -14.288 1.00 0.00 C ATOM 517 SD MET A 32 8.622 13.642 -15.463 1.00 0.00 S ATOM 518 CE MET A 32 10.008 13.176 -14.419 1.00 0.00 C ATOM 0 H MET A 32 8.058 14.120 -11.126 1.00 0.00 H new ATOM 0 HA MET A 32 6.121 15.724 -12.561 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.627 13.142 -12.826 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.183 13.357 -13.795 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.111 15.385 -14.822 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.508 15.326 -13.765 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.922 13.627 -14.805 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.832 13.527 -13.402 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.112 12.091 -14.415 1.00 0.00 H new ATOM 528 N ASN A 33 5.198 13.223 -10.725 1.00 0.00 N ATOM 529 CA ASN A 33 4.060 12.547 -10.126 1.00 0.00 C ATOM 530 C ASN A 33 3.640 13.180 -8.802 1.00 0.00 C ATOM 531 O ASN A 33 4.409 13.849 -8.122 1.00 0.00 O ATOM 532 CB ASN A 33 4.363 11.065 -9.965 1.00 0.00 C ATOM 533 CG ASN A 33 4.542 10.446 -11.331 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.592 10.183 -12.054 1.00 0.00 O ATOM 535 ND2 ASN A 33 5.820 10.247 -11.628 1.00 0.00 N ATOM 0 H ASN A 33 6.105 12.916 -10.375 1.00 0.00 H new ATOM 0 HA ASN A 33 3.211 12.660 -10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.265 10.928 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.551 10.571 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.077 9.841 -12.528 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.545 10.500 -10.957 1.00 0.00 H new ATOM 542 N LYS A 34 2.362 12.899 -8.483 1.00 0.00 N ATOM 543 CA LYS A 34 1.815 13.375 -7.228 1.00 0.00 C ATOM 544 C LYS A 34 0.801 12.337 -6.710 1.00 0.00 C ATOM 545 O LYS A 34 0.467 11.391 -7.409 1.00 0.00 O ATOM 546 CB LYS A 34 1.286 14.814 -7.396 1.00 0.00 C ATOM 547 CG LYS A 34 0.242 15.008 -8.502 1.00 0.00 C ATOM 548 CD LYS A 34 -1.084 14.460 -8.024 1.00 0.00 C ATOM 549 CE LYS A 34 -2.304 15.237 -8.569 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.477 15.085 -7.713 1.00 0.00 N ATOM 0 H LYS A 34 1.719 12.362 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 34 2.574 13.459 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.851 15.136 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.131 15.472 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.146 16.065 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.556 14.496 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.165 13.415 -8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.106 14.482 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.052 16.294 -8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.540 14.884 -9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.308 15.491 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.643 14.075 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.316 15.580 -6.813 1.00 0.00 H new ATOM 564 N ALA A 35 0.236 12.664 -5.525 1.00 0.00 N ATOM 565 CA ALA A 35 -0.732 11.827 -4.821 1.00 0.00 C ATOM 566 C ALA A 35 -1.807 11.266 -5.786 1.00 0.00 C ATOM 567 O ALA A 35 -2.697 11.981 -6.231 1.00 0.00 O ATOM 568 CB ALA A 35 -1.371 12.647 -3.672 1.00 0.00 C ATOM 0 H ALA A 35 0.450 13.532 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.216 10.965 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.095 12.028 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.594 12.970 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.875 13.521 -4.085 1.00 0.00 H new ATOM 574 N GLY A 36 -1.678 9.944 -6.060 1.00 0.00 N ATOM 575 CA GLY A 36 -2.603 9.287 -6.993 1.00 0.00 C ATOM 576 C GLY A 36 -1.912 8.307 -7.928 1.00 0.00 C ATOM 577 O GLY A 36 -2.461 7.281 -8.303 1.00 0.00 O ATOM 0 H GLY A 36 -0.964 9.336 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.369 8.759 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.113 10.047 -7.585 1.00 0.00 H new ATOM 581 N SER A 37 -0.675 8.694 -8.286 1.00 0.00 N ATOM 582 CA SER A 37 0.155 7.768 -9.044 1.00 0.00 C ATOM 583 C SER A 37 0.412 6.634 -8.048 1.00 0.00 C ATOM 584 O SER A 37 0.737 6.862 -6.881 1.00 0.00 O ATOM 585 CB SER A 37 1.493 8.487 -9.331 1.00 0.00 C ATOM 586 OG SER A 37 2.011 9.296 -8.189 1.00 0.00 O ATOM 0 H SER A 37 -0.252 9.597 -8.072 1.00 0.00 H new ATOM 0 HA SER A 37 -0.285 7.426 -9.980 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.241 7.743 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.364 9.139 -10.195 1.00 0.00 H new ATOM 0 HG SER A 37 1.462 10.101 -8.083 1.00 0.00 H new ATOM 592 N PHE A 38 0.255 5.413 -8.594 1.00 0.00 N ATOM 593 CA PHE A 38 0.420 4.231 -7.763 1.00 0.00 C ATOM 594 C PHE A 38 1.383 3.252 -8.511 1.00 0.00 C ATOM 595 O PHE A 38 1.734 3.428 -9.680 1.00 0.00 O ATOM 596 CB PHE A 38 -0.954 3.517 -7.576 1.00 0.00 C ATOM 597 CG PHE A 38 -1.931 3.940 -6.494 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.153 5.241 -6.127 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.690 2.983 -5.844 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.109 5.600 -5.190 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.615 3.308 -4.861 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.835 4.628 -4.532 1.00 0.00 C ATOM 0 H PHE A 38 0.023 5.233 -9.571 1.00 0.00 H new ATOM 0 HA PHE A 38 0.817 4.515 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.482 3.594 -8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.742 2.460 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.559 6.018 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.558 1.945 -6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.286 6.643 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.162 2.527 -4.354 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.559 4.896 -3.777 1.00 0.00 H new ATOM 612 N LEU A 39 1.736 2.208 -7.746 1.00 0.00 N ATOM 613 CA LEU A 39 2.602 1.090 -8.046 1.00 0.00 C ATOM 614 C LEU A 39 2.137 -0.108 -7.308 1.00 0.00 C ATOM 615 O LEU A 39 2.235 -0.115 -6.101 1.00 0.00 O ATOM 616 CB LEU A 39 4.098 1.294 -7.687 1.00 0.00 C ATOM 617 CG LEU A 39 4.941 1.995 -8.750 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.873 0.987 -9.869 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.600 3.399 -9.307 1.00 0.00 C ATOM 0 H LEU A 39 1.372 2.132 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 39 2.543 0.979 -9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.156 1.871 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.540 0.319 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 39 5.890 2.251 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.442 1.353 -10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.294 0.040 -9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.834 0.839 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.344 3.686 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.613 3.377 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.603 4.124 -8.493 1.00 0.00 H new ATOM 631 N ILE A 40 1.679 -1.134 -8.100 1.00 0.00 N ATOM 632 CA ILE A 40 1.181 -2.282 -7.344 1.00 0.00 C ATOM 633 C ILE A 40 2.323 -3.297 -7.633 1.00 0.00 C ATOM 634 O ILE A 40 2.338 -3.992 -8.629 1.00 0.00 O ATOM 635 CB ILE A 40 -0.273 -2.635 -7.853 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.173 -3.287 -6.775 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.271 -3.749 -8.893 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.583 -2.632 -6.708 1.00 0.00 C ATOM 0 H ILE A 40 1.651 -1.178 -9.119 1.00 0.00 H new ATOM 0 HA ILE A 40 1.019 -2.187 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.628 -1.666 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.279 -4.351 -6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.689 -3.203 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.294 -3.953 -9.210 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.321 -3.441 -9.755 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.161 -4.651 -8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.176 -3.124 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.482 -1.574 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.080 -2.739 -7.672 1.00 0.00 H new ATOM 650 N ARG A 41 3.296 -3.340 -6.697 1.00 0.00 N ATOM 651 CA ARG A 41 4.393 -4.243 -6.972 1.00 0.00 C ATOM 652 C ARG A 41 4.046 -5.560 -6.297 1.00 0.00 C ATOM 653 O ARG A 41 3.239 -5.592 -5.382 1.00 0.00 O ATOM 654 CB ARG A 41 5.668 -3.583 -6.408 1.00 0.00 C ATOM 655 CG ARG A 41 5.843 -3.686 -4.883 1.00 0.00 C ATOM 656 CD ARG A 41 6.580 -4.963 -4.448 1.00 0.00 C ATOM 657 NE ARG A 41 7.894 -4.643 -3.895 1.00 0.00 N ATOM 658 CZ ARG A 41 8.682 -5.594 -3.354 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.291 -6.858 -3.308 1.00 0.00 N ATOM 660 NH2 ARG A 41 9.876 -5.272 -2.880 1.00 0.00 N ATOM 0 H ARG A 41 3.336 -2.808 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 41 4.562 -4.439 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.535 -4.037 -6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.665 -2.529 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.394 -2.816 -4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.862 -3.659 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.987 -5.494 -3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.693 -5.631 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 41 8.223 -3.678 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.382 -7.125 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.899 -7.565 -2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.199 -4.305 -2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.473 -5.991 -2.471 1.00 0.00 H new ATOM 674 N GLU A 42 4.694 -6.630 -6.788 1.00 0.00 N ATOM 675 CA GLU A 42 4.402 -7.943 -6.226 1.00 0.00 C ATOM 676 C GLU A 42 5.360 -8.302 -5.103 1.00 0.00 C ATOM 677 O GLU A 42 6.541 -8.012 -5.176 1.00 0.00 O ATOM 678 CB GLU A 42 4.331 -9.007 -7.345 1.00 0.00 C ATOM 679 CG GLU A 42 5.642 -9.641 -7.826 1.00 0.00 C ATOM 680 CD GLU A 42 5.442 -10.891 -8.718 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.476 -11.626 -8.519 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.272 -11.125 -9.597 1.00 0.00 O ATOM 0 H GLU A 42 5.388 -6.611 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 42 3.417 -7.913 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.680 -9.810 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.845 -8.551 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.212 -8.897 -8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.241 -9.918 -6.958 1.00 0.00 H new ATOM 689 N SER A 43 4.832 -8.985 -4.071 1.00 0.00 N ATOM 690 CA SER A 43 5.747 -9.398 -3.013 1.00 0.00 C ATOM 691 C SER A 43 6.538 -10.588 -3.579 1.00 0.00 C ATOM 692 O SER A 43 5.948 -11.610 -3.909 1.00 0.00 O ATOM 693 CB SER A 43 4.921 -9.827 -1.807 1.00 0.00 C ATOM 694 OG SER A 43 5.894 -9.809 -0.662 1.00 0.00 O ATOM 0 H SER A 43 3.852 -9.243 -3.955 1.00 0.00 H new ATOM 0 HA SER A 43 6.422 -8.601 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.089 -9.145 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.494 -10.820 -1.950 1.00 0.00 H new ATOM 0 HG SER A 43 5.816 -10.643 -0.153 1.00 0.00 H new ATOM 700 N GLU A 44 7.865 -10.379 -3.763 1.00 0.00 N ATOM 701 CA GLU A 44 8.723 -11.426 -4.310 1.00 0.00 C ATOM 702 C GLU A 44 9.072 -12.524 -3.280 1.00 0.00 C ATOM 703 O GLU A 44 10.218 -12.920 -3.115 1.00 0.00 O ATOM 704 CB GLU A 44 10.009 -10.860 -4.920 1.00 0.00 C ATOM 705 CG GLU A 44 10.811 -10.011 -3.912 1.00 0.00 C ATOM 706 CD GLU A 44 12.253 -9.678 -4.352 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.439 -9.180 -5.461 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.175 -9.919 -3.568 1.00 0.00 O ATOM 0 H GLU A 44 8.345 -9.507 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 44 8.135 -11.889 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.631 -11.681 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.759 -10.250 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.275 -9.078 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.849 -10.541 -2.961 1.00 0.00 H new ATOM 715 N SER A 45 8.028 -12.966 -2.588 1.00 0.00 N ATOM 716 CA SER A 45 8.124 -13.994 -1.573 1.00 0.00 C ATOM 717 C SER A 45 6.854 -14.869 -1.631 1.00 0.00 C ATOM 718 O SER A 45 6.894 -16.086 -1.553 1.00 0.00 O ATOM 719 CB SER A 45 8.429 -13.341 -0.218 1.00 0.00 C ATOM 720 OG SER A 45 7.141 -12.718 0.222 1.00 0.00 O ATOM 0 H SER A 45 7.081 -12.612 -2.722 1.00 0.00 H new ATOM 0 HA SER A 45 8.955 -14.678 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.775 -14.080 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.216 -12.593 -0.311 1.00 0.00 H new ATOM 0 HG SER A 45 6.637 -12.420 -0.564 1.00 0.00 H new ATOM 726 N ASN A 46 5.733 -14.131 -1.756 1.00 0.00 N ATOM 727 CA ASN A 46 4.356 -14.579 -1.864 1.00 0.00 C ATOM 728 C ASN A 46 3.705 -14.181 -3.181 1.00 0.00 C ATOM 729 O ASN A 46 3.494 -13.013 -3.448 1.00 0.00 O ATOM 730 CB ASN A 46 3.532 -14.157 -0.647 1.00 0.00 C ATOM 731 CG ASN A 46 3.853 -12.833 0.045 1.00 0.00 C ATOM 732 OD1 ASN A 46 4.734 -12.086 -0.331 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.165 -12.662 1.188 1.00 0.00 N ATOM 0 H ASN A 46 5.789 -13.113 -1.785 1.00 0.00 H new ATOM 0 HA ASN A 46 4.380 -15.669 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.487 -14.122 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.619 -14.947 0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.373 -11.869 1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.436 -13.326 1.448 1.00 0.00 H new ATOM 740 N LYS A 47 3.324 -15.225 -3.938 1.00 0.00 N ATOM 741 CA LYS A 47 2.689 -14.998 -5.236 1.00 0.00 C ATOM 742 C LYS A 47 1.349 -14.277 -5.131 1.00 0.00 C ATOM 743 O LYS A 47 1.022 -13.333 -5.839 1.00 0.00 O ATOM 744 CB LYS A 47 2.526 -16.287 -6.050 1.00 0.00 C ATOM 745 CG LYS A 47 2.259 -17.509 -5.189 1.00 0.00 C ATOM 746 CD LYS A 47 3.544 -18.153 -4.658 1.00 0.00 C ATOM 747 CE LYS A 47 3.853 -19.492 -5.328 1.00 0.00 C ATOM 748 NZ LYS A 47 4.904 -20.226 -4.632 1.00 0.00 N ATOM 0 H LYS A 47 3.442 -16.204 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 47 3.379 -14.343 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.705 -16.162 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.429 -16.455 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.626 -17.224 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.703 -18.244 -5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.379 -17.471 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.453 -18.302 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.948 -20.098 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.156 -19.318 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.080 -21.127 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.776 -19.660 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.606 -20.415 -3.654 1.00 0.00 H new ATOM 762 N GLY A 48 0.656 -14.795 -4.134 1.00 0.00 N ATOM 763 CA GLY A 48 -0.667 -14.351 -3.785 1.00 0.00 C ATOM 764 C GLY A 48 -0.708 -13.121 -2.873 1.00 0.00 C ATOM 765 O GLY A 48 -1.702 -12.869 -2.203 1.00 0.00 O ATOM 0 H GLY A 48 1.007 -15.546 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.214 -14.126 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.192 -15.169 -3.293 1.00 0.00 H new ATOM 769 N ALA A 49 0.436 -12.413 -2.823 1.00 0.00 N ATOM 770 CA ALA A 49 0.519 -11.196 -2.032 1.00 0.00 C ATOM 771 C ALA A 49 1.184 -10.055 -2.826 1.00 0.00 C ATOM 772 O ALA A 49 2.369 -10.118 -3.107 1.00 0.00 O ATOM 773 CB ALA A 49 1.202 -11.469 -0.695 1.00 0.00 C ATOM 0 H ALA A 49 1.293 -12.665 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.492 -10.857 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.254 -10.546 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.630 -12.212 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.210 -11.844 -0.871 1.00 0.00 H new ATOM 779 N PHE A 50 0.398 -9.018 -3.182 1.00 0.00 N ATOM 780 CA PHE A 50 0.961 -7.867 -3.894 1.00 0.00 C ATOM 781 C PHE A 50 1.050 -6.736 -2.841 1.00 0.00 C ATOM 782 O PHE A 50 0.684 -6.915 -1.685 1.00 0.00 O ATOM 783 CB PHE A 50 0.107 -7.476 -5.152 1.00 0.00 C ATOM 784 CG PHE A 50 0.308 -8.420 -6.310 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.323 -9.654 -6.315 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.090 -8.070 -7.404 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.186 -10.521 -7.384 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.197 -8.918 -8.496 1.00 0.00 C ATOM 789 CZ PHE A 50 0.558 -10.143 -8.486 1.00 0.00 C ATOM 0 H PHE A 50 -0.602 -8.959 -2.991 1.00 0.00 H new ATOM 0 HA PHE A 50 1.946 -8.087 -4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.948 -7.462 -4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.369 -6.465 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.931 -9.943 -5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.619 -7.129 -7.404 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.659 -11.491 -7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.780 -8.621 -9.355 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.640 -10.803 -9.337 1.00 0.00 H new ATOM 799 N SER A 51 1.513 -5.567 -3.299 1.00 0.00 N ATOM 800 CA SER A 51 1.662 -4.383 -2.463 1.00 0.00 C ATOM 801 C SER A 51 1.350 -3.170 -3.341 1.00 0.00 C ATOM 802 O SER A 51 1.435 -3.285 -4.548 1.00 0.00 O ATOM 803 CB SER A 51 3.092 -4.256 -1.875 1.00 0.00 C ATOM 804 OG SER A 51 3.774 -5.435 -1.283 1.00 0.00 O ATOM 0 H SER A 51 1.795 -5.421 -4.268 1.00 0.00 H new ATOM 0 HA SER A 51 0.982 -4.452 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.734 -3.880 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.055 -3.486 -1.104 1.00 0.00 H new ATOM 0 HG SER A 51 4.663 -5.173 -0.965 1.00 0.00 H new ATOM 810 N LEU A 52 1.057 -2.019 -2.704 1.00 0.00 N ATOM 811 CA LEU A 52 0.692 -0.816 -3.459 1.00 0.00 C ATOM 812 C LEU A 52 1.233 0.465 -2.758 1.00 0.00 C ATOM 813 O LEU A 52 0.942 0.741 -1.600 1.00 0.00 O ATOM 814 CB LEU A 52 -0.859 -0.855 -3.442 1.00 0.00 C ATOM 815 CG LEU A 52 -1.594 0.167 -4.319 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.223 -0.009 -5.792 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.127 0.121 -4.092 1.00 0.00 C ATOM 0 H LEU A 52 1.067 -1.902 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 52 1.108 -0.792 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.176 -1.852 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.189 -0.717 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.266 1.162 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.757 0.727 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.149 0.132 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.498 -1.012 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.612 0.859 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.501 -0.873 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.347 0.344 -3.048 1.00 0.00 H new ATOM 829 N SER A 53 2.061 1.192 -3.539 1.00 0.00 N ATOM 830 CA SER A 53 2.706 2.444 -3.163 1.00 0.00 C ATOM 831 C SER A 53 1.908 3.610 -3.780 1.00 0.00 C ATOM 832 O SER A 53 1.484 3.535 -4.923 1.00 0.00 O ATOM 833 CB SER A 53 4.117 2.509 -3.753 1.00 0.00 C ATOM 834 OG SER A 53 4.969 1.661 -2.858 1.00 0.00 O ATOM 0 H SER A 53 2.301 0.900 -4.486 1.00 0.00 H new ATOM 0 HA SER A 53 2.746 2.507 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.131 2.135 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.482 3.536 -3.784 1.00 0.00 H new ATOM 0 HG SER A 53 5.892 1.662 -3.188 1.00 0.00 H new ATOM 840 N VAL A 54 1.765 4.690 -2.989 1.00 0.00 N ATOM 841 CA VAL A 54 1.058 5.879 -3.493 1.00 0.00 C ATOM 842 C VAL A 54 1.825 7.069 -2.966 1.00 0.00 C ATOM 843 O VAL A 54 2.333 6.976 -1.860 1.00 0.00 O ATOM 844 CB VAL A 54 -0.380 5.984 -2.982 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.137 7.175 -3.620 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.057 4.635 -3.152 1.00 0.00 C ATOM 0 H VAL A 54 2.115 4.764 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 54 1.007 5.827 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.387 6.217 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.154 7.212 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.622 8.105 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.169 7.048 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.084 4.695 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.058 4.359 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.515 3.881 -2.580 1.00 0.00 H new ATOM 856 N LYS A 55 1.860 8.206 -3.703 1.00 0.00 N ATOM 857 CA LYS A 55 2.652 9.241 -3.047 1.00 0.00 C ATOM 858 C LYS A 55 1.794 9.982 -1.993 1.00 0.00 C ATOM 859 O LYS A 55 0.798 10.602 -2.308 1.00 0.00 O ATOM 860 CB LYS A 55 3.068 10.200 -4.180 1.00 0.00 C ATOM 861 CG LYS A 55 4.125 11.234 -3.775 1.00 0.00 C ATOM 862 CD LYS A 55 4.118 12.453 -4.694 1.00 0.00 C ATOM 863 CE LYS A 55 5.275 13.419 -4.437 1.00 0.00 C ATOM 864 NZ LYS A 55 5.589 14.258 -5.590 1.00 0.00 N ATOM 0 H LYS A 55 1.424 8.406 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 55 3.515 8.833 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.452 9.613 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.183 10.724 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.944 11.553 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.111 10.771 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.159 12.117 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.176 12.986 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.026 14.057 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.161 12.849 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.605 14.191 -5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.042 13.935 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.344 15.246 -5.377 1.00 0.00 H new ATOM 878 N ASP A 56 2.308 9.979 -0.728 1.00 0.00 N ATOM 879 CA ASP A 56 1.531 10.696 0.268 1.00 0.00 C ATOM 880 C ASP A 56 2.265 12.017 0.454 1.00 0.00 C ATOM 881 O ASP A 56 3.483 12.120 0.497 1.00 0.00 O ATOM 882 CB ASP A 56 1.574 9.916 1.591 1.00 0.00 C ATOM 883 CG ASP A 56 0.989 10.694 2.793 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.069 11.306 2.641 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.596 10.683 3.862 1.00 0.00 O ATOM 0 H ASP A 56 3.169 9.531 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 56 0.491 10.829 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.023 8.984 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.608 9.649 1.811 1.00 0.00 H new ATOM 890 N ILE A 57 1.390 13.028 0.468 1.00 0.00 N ATOM 891 CA ILE A 57 1.854 14.394 0.576 1.00 0.00 C ATOM 892 C ILE A 57 1.141 15.073 1.726 1.00 0.00 C ATOM 893 O ILE A 57 -0.076 15.201 1.739 1.00 0.00 O ATOM 894 CB ILE A 57 1.579 15.128 -0.742 1.00 0.00 C ATOM 895 CG1 ILE A 57 2.063 14.303 -1.955 1.00 0.00 C ATOM 896 CG2 ILE A 57 2.211 16.527 -0.711 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.253 15.124 -3.226 1.00 0.00 C ATOM 0 H ILE A 57 0.378 12.919 0.407 1.00 0.00 H new ATOM 0 HA ILE A 57 2.927 14.413 0.769 1.00 0.00 H new ATOM 0 HB ILE A 57 0.502 15.249 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.007 13.822 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.343 13.509 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.009 17.038 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.785 17.100 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.288 16.437 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.594 14.474 -4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.306 15.584 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.996 15.902 -3.049 1.00 0.00 H new ATOM 909 N THR A 58 1.984 15.420 2.708 1.00 0.00 N ATOM 910 CA THR A 58 1.505 16.116 3.892 1.00 0.00 C ATOM 911 C THR A 58 2.431 17.303 4.178 1.00 0.00 C ATOM 912 O THR A 58 3.471 17.485 3.555 1.00 0.00 O ATOM 913 CB THR A 58 1.472 15.100 5.071 1.00 0.00 C ATOM 914 OG1 THR A 58 1.132 15.512 6.446 1.00 0.00 O ATOM 915 CG2 THR A 58 2.871 14.482 5.211 1.00 0.00 C ATOM 0 H THR A 58 2.986 15.230 2.700 1.00 0.00 H new ATOM 0 HA THR A 58 0.499 16.509 3.749 1.00 0.00 H new ATOM 0 HB THR A 58 0.639 14.471 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.624 14.956 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.872 13.766 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.138 13.973 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.598 15.269 5.415 1.00 0.00 H new ATOM 923 N THR A 59 1.954 18.110 5.146 1.00 0.00 N ATOM 924 CA THR A 59 2.638 19.293 5.673 1.00 0.00 C ATOM 925 C THR A 59 3.986 18.943 6.363 1.00 0.00 C ATOM 926 O THR A 59 4.695 19.828 6.825 1.00 0.00 O ATOM 927 CB THR A 59 1.699 20.229 6.480 1.00 0.00 C ATOM 928 OG1 THR A 59 2.356 21.476 6.963 1.00 0.00 O ATOM 929 CG2 THR A 59 1.351 19.542 7.814 1.00 0.00 C ATOM 0 H THR A 59 1.052 17.945 5.593 1.00 0.00 H new ATOM 0 HA THR A 59 2.928 19.902 4.817 1.00 0.00 H new ATOM 0 HB THR A 59 0.871 20.443 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.318 21.320 7.067 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.691 20.187 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.850 18.595 7.615 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.266 19.358 8.378 1.00 0.00 H new ATOM 937 N GLN A 60 4.309 17.627 6.409 1.00 0.00 N ATOM 938 CA GLN A 60 5.524 17.154 7.075 1.00 0.00 C ATOM 939 C GLN A 60 6.637 16.955 6.026 1.00 0.00 C ATOM 940 O GLN A 60 7.694 17.572 6.101 1.00 0.00 O ATOM 941 CB GLN A 60 5.245 15.849 7.833 1.00 0.00 C ATOM 942 CG GLN A 60 4.141 15.968 8.901 1.00 0.00 C ATOM 943 CD GLN A 60 3.465 14.606 9.127 1.00 0.00 C ATOM 944 OE1 GLN A 60 2.460 14.282 8.512 1.00 0.00 O ATOM 945 NE2 GLN A 60 4.076 13.833 10.035 1.00 0.00 N ATOM 0 H GLN A 60 3.743 16.888 5.993 1.00 0.00 H new ATOM 0 HA GLN A 60 5.853 17.897 7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.961 15.078 7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.165 15.515 8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.569 16.329 9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.399 16.702 8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.913 14.169 10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.704 12.908 10.251 1.00 0.00 H new ATOM 954 N GLY A 61 6.352 16.046 5.080 1.00 0.00 N ATOM 955 CA GLY A 61 7.306 15.783 4.017 1.00 0.00 C ATOM 956 C GLY A 61 6.660 14.907 2.941 1.00 0.00 C ATOM 957 O GLY A 61 5.509 14.502 3.050 1.00 0.00 O ATOM 0 H GLY A 61 5.491 15.500 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.643 16.722 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.187 15.286 4.422 1.00 0.00 H new ATOM 961 N GLU A 62 7.461 14.693 1.878 1.00 0.00 N ATOM 962 CA GLU A 62 7.086 13.886 0.744 1.00 0.00 C ATOM 963 C GLU A 62 7.424 12.433 1.065 1.00 0.00 C ATOM 964 O GLU A 62 8.569 12.091 1.340 1.00 0.00 O ATOM 965 CB GLU A 62 7.887 14.366 -0.474 1.00 0.00 C ATOM 966 CG GLU A 62 7.085 14.136 -1.747 1.00 0.00 C ATOM 967 CD GLU A 62 7.804 14.708 -2.982 1.00 0.00 C ATOM 968 OE1 GLU A 62 8.888 14.230 -3.305 1.00 0.00 O ATOM 969 OE2 GLU A 62 7.261 15.614 -3.616 1.00 0.00 O ATOM 0 H GLU A 62 8.397 15.091 1.801 1.00 0.00 H new ATOM 0 HA GLU A 62 6.021 13.970 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.124 15.425 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.835 13.831 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.919 13.068 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.104 14.601 -1.649 1.00 0.00 H new ATOM 976 N VAL A 63 6.354 11.622 1.060 1.00 0.00 N ATOM 977 CA VAL A 63 6.480 10.207 1.349 1.00 0.00 C ATOM 978 C VAL A 63 5.596 9.435 0.357 1.00 0.00 C ATOM 979 O VAL A 63 4.924 10.024 -0.474 1.00 0.00 O ATOM 980 CB VAL A 63 6.083 10.003 2.820 1.00 0.00 C ATOM 981 CG1 VAL A 63 4.626 10.447 3.113 1.00 0.00 C ATOM 982 CG2 VAL A 63 6.365 8.571 3.301 1.00 0.00 C ATOM 0 H VAL A 63 5.403 11.931 0.859 1.00 0.00 H new ATOM 0 HA VAL A 63 7.496 9.831 1.225 1.00 0.00 H new ATOM 0 HB VAL A 63 6.723 10.663 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.400 10.281 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.515 11.506 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.938 9.867 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.069 8.473 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.797 7.865 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.430 8.358 3.204 1.00 0.00 H new ATOM 992 N VAL A 64 5.643 8.096 0.486 1.00 0.00 N ATOM 993 CA VAL A 64 4.809 7.201 -0.312 1.00 0.00 C ATOM 994 C VAL A 64 3.791 6.660 0.695 1.00 0.00 C ATOM 995 O VAL A 64 3.559 7.278 1.725 1.00 0.00 O ATOM 996 CB VAL A 64 5.684 6.160 -1.071 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.991 5.202 -2.053 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.668 6.903 -1.934 1.00 0.00 C ATOM 0 H VAL A 64 6.257 7.615 1.143 1.00 0.00 H new ATOM 0 HA VAL A 64 4.272 7.671 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 64 6.086 5.556 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.733 4.540 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.249 4.608 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.499 5.778 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.290 6.189 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.128 7.526 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.299 7.533 -1.307 1.00 0.00 H new ATOM 1008 N LYS A 65 3.172 5.545 0.302 1.00 0.00 N ATOM 1009 CA LYS A 65 2.221 4.769 1.085 1.00 0.00 C ATOM 1010 C LYS A 65 2.487 3.279 0.910 1.00 0.00 C ATOM 1011 O LYS A 65 3.103 2.896 -0.065 1.00 0.00 O ATOM 1012 CB LYS A 65 0.793 5.084 0.812 1.00 0.00 C ATOM 1013 CG LYS A 65 0.355 6.214 1.759 1.00 0.00 C ATOM 1014 CD LYS A 65 -0.542 7.101 1.028 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.324 8.054 1.945 1.00 0.00 C ATOM 1016 NZ LYS A 65 -2.486 7.398 2.532 1.00 0.00 N ATOM 0 H LYS A 65 3.332 5.142 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 65 2.385 5.058 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.664 5.388 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.174 4.200 0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.148 5.803 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.223 6.765 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.037 7.687 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.246 6.501 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.670 8.416 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.646 8.926 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.336 7.968 2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.603 6.455 2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.349 7.303 3.559 1.00 0.00 H new ATOM 1030 N HIS A 66 1.942 2.468 1.826 1.00 0.00 N ATOM 1031 CA HIS A 66 2.102 1.020 1.705 1.00 0.00 C ATOM 1032 C HIS A 66 0.790 0.314 2.118 1.00 0.00 C ATOM 1033 O HIS A 66 0.493 0.197 3.299 1.00 0.00 O ATOM 1034 CB HIS A 66 3.210 0.543 2.670 1.00 0.00 C ATOM 1035 CG HIS A 66 4.598 0.830 2.161 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.909 0.950 0.860 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.768 0.991 2.919 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.237 1.172 0.836 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.781 1.200 2.060 1.00 0.00 N ATOM 0 H HIS A 66 1.403 2.780 2.634 1.00 0.00 H new ATOM 0 HA HIS A 66 2.357 0.781 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.076 1.029 3.637 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.104 -0.529 2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.841 0.954 3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.803 1.312 -0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.763 1.349 2.293 1.00 0.00 H new ATOM 1047 N TYR A 67 0.062 -0.180 1.094 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.205 -0.902 1.296 1.00 0.00 C ATOM 1049 C TYR A 67 -0.983 -2.359 0.815 1.00 0.00 C ATOM 1050 O TYR A 67 -0.699 -2.615 -0.348 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.349 -0.258 0.488 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.754 1.085 1.024 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.575 1.163 2.138 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.297 2.258 0.440 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.923 2.387 2.694 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.629 3.491 0.990 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.445 3.578 2.115 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.785 4.861 2.553 1.00 0.00 O ATOM 0 H TYR A 67 0.335 -0.089 0.115 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.488 -0.868 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.038 -0.151 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.213 -0.923 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.952 0.254 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.681 2.213 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.558 2.425 3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.248 4.395 0.538 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.191 5.362 1.815 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.074 -3.272 1.803 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.913 -4.720 1.588 1.00 0.00 C ATOM 1070 C LYS A 68 -2.170 -5.367 0.967 1.00 0.00 C ATOM 1071 O LYS A 68 -3.247 -5.318 1.540 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.456 -5.482 2.836 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.552 -5.744 3.854 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.126 -4.433 4.379 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.769 -4.573 5.748 1.00 0.00 C ATOM 1076 NZ LYS A 68 -3.921 -5.469 5.732 1.00 0.00 N ATOM 0 H LYS A 68 -1.262 -3.023 2.774 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.103 -4.807 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.030 -6.436 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.342 -4.918 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.345 -6.337 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.153 -6.329 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.331 -3.690 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.866 -4.058 3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.030 -4.948 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.081 -3.591 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.325 -5.532 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.639 -5.100 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.621 -6.415 5.420 1.00 0.00 H new ATOM 1090 N ILE A 69 -1.993 -5.873 -0.264 1.00 0.00 N ATOM 1091 CA ILE A 69 -2.981 -6.627 -1.034 1.00 0.00 C ATOM 1092 C ILE A 69 -2.812 -8.146 -0.867 1.00 0.00 C ATOM 1093 O ILE A 69 -1.732 -8.684 -1.075 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.167 -6.168 -2.472 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -1.899 -5.625 -3.070 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.422 -5.335 -2.746 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.173 -5.012 -4.423 1.00 0.00 C ATOM 0 H ILE A 69 -1.114 -5.759 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.943 -6.380 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.387 -7.079 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.468 -4.876 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.165 -6.425 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.454 -5.062 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.308 -5.918 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.399 -4.431 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.244 -4.624 -4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.582 -5.771 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.890 -4.198 -4.315 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.921 -8.796 -0.457 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.946 -10.247 -0.319 1.00 0.00 C ATOM 1111 C ARG A 70 -4.587 -10.816 -1.576 1.00 0.00 C ATOM 1112 O ARG A 70 -5.136 -10.075 -2.378 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.716 -10.634 0.945 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.747 -10.713 2.131 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.140 -11.905 2.985 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.552 -11.797 4.317 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.404 -12.853 5.141 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -3.784 -14.068 4.769 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -2.872 -12.677 6.342 1.00 0.00 N ATOM 0 H ARG A 70 -4.799 -8.334 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.941 -10.655 -0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.496 -9.900 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.211 -11.594 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.721 -10.820 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.788 -9.795 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.226 -11.961 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.807 -12.827 2.508 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.239 -10.881 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.195 -14.214 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.665 -14.857 5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.577 -11.746 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.757 -13.472 6.970 1.00 0.00 H new ATOM 1133 N SER A 71 -4.541 -12.162 -1.678 1.00 0.00 N ATOM 1134 CA SER A 71 -5.166 -12.816 -2.824 1.00 0.00 C ATOM 1135 C SER A 71 -5.963 -14.000 -2.294 1.00 0.00 C ATOM 1136 O SER A 71 -5.432 -14.955 -1.743 1.00 0.00 O ATOM 1137 CB SER A 71 -4.158 -13.402 -3.850 1.00 0.00 C ATOM 1138 OG SER A 71 -3.649 -14.781 -3.614 1.00 0.00 O ATOM 0 H SER A 71 -4.095 -12.786 -1.006 1.00 0.00 H new ATOM 0 HA SER A 71 -5.761 -12.056 -3.331 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.631 -13.383 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.300 -12.732 -3.896 1.00 0.00 H new ATOM 0 HG SER A 71 -3.936 -15.089 -2.729 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.273 -13.832 -2.441 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.239 -14.815 -1.992 1.00 0.00 C ATOM 1146 C LEU A 72 -8.625 -15.742 -3.132 1.00 0.00 C ATOM 1147 O LEU A 72 -8.697 -15.357 -4.292 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.455 -14.096 -1.391 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.080 -12.826 -0.643 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.873 -13.080 0.275 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.973 -11.625 -1.611 1.00 0.00 C ATOM 0 H LEU A 72 -7.690 -13.009 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.798 -15.439 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.156 -13.849 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.972 -14.773 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.877 -12.533 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.618 -12.161 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.123 -13.856 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.022 -13.403 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.704 -10.729 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.208 -11.828 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.932 -11.469 -2.105 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.891 -16.983 -2.691 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.303 -18.030 -3.625 1.00 0.00 C ATOM 1165 C ASP A 73 -10.671 -17.760 -4.278 1.00 0.00 C ATOM 1166 O ASP A 73 -10.924 -18.177 -5.402 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.387 -19.395 -2.939 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.332 -19.406 -1.723 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -11.523 -19.655 -1.909 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -9.866 -19.163 -0.612 1.00 0.00 O ATOM 0 H ASP A 73 -8.829 -17.276 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.533 -18.029 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.727 -20.137 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.389 -19.695 -2.618 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.498 -16.993 -3.531 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.851 -16.702 -3.990 1.00 0.00 C ATOM 1177 C ASN A 74 -13.232 -15.248 -3.679 1.00 0.00 C ATOM 1178 O ASN A 74 -14.342 -14.922 -3.277 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.862 -17.647 -3.301 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.885 -17.556 -1.753 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -13.456 -16.587 -1.144 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.417 -18.631 -1.155 1.00 0.00 N ATOM 0 H ASN A 74 -11.250 -16.579 -2.632 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.880 -16.855 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.860 -17.426 -3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.632 -18.673 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.480 -18.670 -0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.759 -19.410 -1.717 1.00 0.00 H new ATOM 1189 N GLY A 75 -12.206 -14.415 -3.915 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.346 -12.982 -3.682 1.00 0.00 C ATOM 1191 C GLY A 75 -11.731 -12.118 -4.767 1.00 0.00 C ATOM 1192 O GLY A 75 -12.394 -11.321 -5.410 1.00 0.00 O ATOM 0 H GLY A 75 -11.292 -14.707 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.405 -12.740 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.883 -12.733 -2.727 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.429 -12.375 -4.891 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.465 -11.755 -5.783 1.00 0.00 C ATOM 1198 C GLY A 76 -8.329 -11.053 -5.040 1.00 0.00 C ATOM 1199 O GLY A 76 -7.279 -11.630 -4.804 1.00 0.00 O ATOM 0 H GLY A 76 -9.987 -13.090 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.046 -12.516 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.978 -11.032 -6.418 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.634 -9.794 -4.650 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.707 -8.919 -3.962 1.00 0.00 C ATOM 1205 C TYR A 77 -8.534 -8.140 -2.960 1.00 0.00 C ATOM 1206 O TYR A 77 -9.695 -7.832 -3.192 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.986 -7.993 -4.961 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.139 -8.763 -5.931 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.877 -9.158 -5.543 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.584 -9.067 -7.209 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -4.058 -9.866 -6.406 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.774 -9.748 -8.106 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.497 -10.160 -7.704 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.665 -10.829 -8.595 1.00 0.00 O ATOM 0 H TYR A 77 -9.547 -9.369 -4.815 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.920 -9.479 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.724 -7.407 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.361 -7.287 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.522 -8.912 -4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.577 -8.769 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.081 -10.191 -6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.125 -9.959 -9.105 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.738 -10.770 -8.284 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.865 -7.870 -1.823 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.569 -7.134 -0.760 1.00 0.00 C ATOM 1226 C TYR A 78 -7.572 -6.369 0.106 1.00 0.00 C ATOM 1227 O TYR A 78 -6.445 -6.799 0.323 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.509 -8.029 0.092 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.930 -8.588 1.380 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.856 -7.759 2.500 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.477 -9.906 1.501 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.305 -8.171 3.693 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.960 -10.351 2.720 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.855 -9.488 3.820 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.287 -9.944 5.004 1.00 0.00 O ATOM 0 H TYR A 78 -6.899 -8.131 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.225 -6.416 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.398 -7.450 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.836 -8.865 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.246 -6.755 2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.527 -10.576 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.222 -7.484 4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.636 -11.377 2.817 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.035 -10.886 4.905 1.00 0.00 H new ATOM 1245 N ILE A 79 -8.038 -5.139 0.454 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.170 -4.289 1.304 1.00 0.00 C ATOM 1247 C ILE A 79 -7.891 -3.960 2.615 1.00 0.00 C ATOM 1248 O ILE A 79 -7.318 -3.959 3.698 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.568 -3.054 0.603 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.461 -2.517 -0.485 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.164 -3.248 0.043 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.808 -1.346 -1.300 1.00 0.00 C ATOM 0 H ILE A 79 -8.937 -4.740 0.184 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.282 -4.879 1.533 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.489 -2.327 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.718 -3.327 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.393 -2.166 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.830 -2.324 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.482 -3.509 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.174 -4.050 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.503 -1.005 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.576 -0.520 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.891 -1.698 -1.772 1.00 0.00 H new ATOM 1264 N SER A 80 -9.195 -3.756 2.424 1.00 0.00 N ATOM 1265 CA SER A 80 -10.105 -3.461 3.493 1.00 0.00 C ATOM 1266 C SER A 80 -11.055 -4.647 3.373 1.00 0.00 C ATOM 1267 O SER A 80 -11.695 -4.808 2.348 1.00 0.00 O ATOM 1268 CB SER A 80 -10.784 -2.078 3.259 1.00 0.00 C ATOM 1269 OG SER A 80 -9.977 -0.847 3.063 1.00 0.00 O ATOM 0 H SER A 80 -9.638 -3.795 1.506 1.00 0.00 H new ATOM 0 HA SER A 80 -9.671 -3.363 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.424 -2.182 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.439 -1.897 4.111 1.00 0.00 H new ATOM 0 HG SER A 80 -10.575 -0.082 2.930 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.104 -5.504 4.438 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.897 -6.727 4.372 1.00 0.00 C ATOM 1277 C PRO A 81 -13.399 -6.540 4.127 1.00 0.00 C ATOM 1278 O PRO A 81 -14.113 -7.491 3.841 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.709 -7.322 5.781 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.697 -6.492 6.555 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.378 -5.319 5.677 1.00 0.00 C ATOM 0 HA PRO A 81 -11.566 -7.332 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.662 -7.338 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.368 -8.355 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.107 -6.166 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.801 -7.072 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.671 -4.386 6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.306 -5.258 5.490 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.792 -5.253 4.094 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.170 -4.920 3.762 1.00 0.00 C ATOM 1291 C ARG A 82 -15.268 -4.992 2.218 1.00 0.00 C ATOM 1292 O ARG A 82 -16.083 -5.719 1.667 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.599 -3.555 4.330 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.506 -2.471 4.384 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.875 -2.371 5.776 1.00 0.00 C ATOM 1296 NE ARG A 82 -13.224 -1.076 5.948 1.00 0.00 N ATOM 1297 CZ ARG A 82 -12.919 -0.600 7.173 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -13.183 -1.314 8.260 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -12.354 0.592 7.297 1.00 0.00 N ATOM 0 H ARG A 82 -13.187 -4.455 4.289 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.865 -5.623 4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.427 -3.178 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.981 -3.708 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.733 -2.697 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.935 -1.508 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.641 -2.504 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.148 -3.172 5.911 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.995 -0.519 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.620 -2.231 8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.949 -0.945 9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.150 1.149 6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.123 0.953 8.223 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.390 -4.189 1.571 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.290 -4.129 0.111 1.00 0.00 C ATOM 1315 C ILE A 83 -13.163 -5.039 -0.489 1.00 0.00 C ATOM 1316 O ILE A 83 -11.955 -4.957 -0.224 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.250 -2.704 -0.403 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.193 -1.877 0.313 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.626 -2.004 -0.309 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.204 -0.488 -0.304 1.00 0.00 C ATOM 0 H ILE A 83 -13.738 -3.571 2.053 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.216 -4.565 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.982 -2.772 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.406 -1.824 1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.210 -2.336 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.543 -0.986 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.356 -2.555 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.950 -1.977 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.456 0.134 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.975 -0.560 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.189 -0.040 -0.175 1.00 0.00 H new ATOM 1332 N THR A 84 -13.751 -5.905 -1.355 1.00 0.00 N ATOM 1333 CA THR A 84 -12.995 -6.898 -2.098 1.00 0.00 C ATOM 1334 C THR A 84 -13.283 -6.722 -3.600 1.00 0.00 C ATOM 1335 O THR A 84 -14.308 -6.191 -3.992 1.00 0.00 O ATOM 1336 CB THR A 84 -13.536 -8.289 -1.652 1.00 0.00 C ATOM 1337 OG1 THR A 84 -14.022 -8.461 -0.268 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.343 -9.271 -1.731 1.00 0.00 C ATOM 0 H THR A 84 -14.753 -5.920 -1.543 1.00 0.00 H new ATOM 0 HA THR A 84 -11.924 -6.802 -1.918 1.00 0.00 H new ATOM 0 HB THR A 84 -14.395 -8.443 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.329 -9.383 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.670 -10.266 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.970 -9.309 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.548 -8.932 -1.067 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.308 -7.216 -4.394 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.433 -7.159 -5.854 1.00 0.00 C ATOM 1348 C PHE A 85 -11.865 -8.476 -6.409 1.00 0.00 C ATOM 1349 O PHE A 85 -11.106 -9.112 -5.703 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.668 -5.935 -6.354 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.263 -4.669 -5.798 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.375 -4.093 -6.400 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.719 -4.065 -4.668 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.930 -2.930 -5.887 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.270 -2.901 -4.155 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.381 -2.336 -4.759 1.00 0.00 C ATOM 0 H PHE A 85 -11.449 -7.647 -4.053 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.466 -7.057 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.621 -6.010 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.692 -5.906 -7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.810 -4.554 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.860 -4.507 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.790 -2.486 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.833 -2.435 -3.284 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.819 -1.436 -4.353 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.220 -8.871 -7.667 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.699 -10.116 -8.260 1.00 0.00 C ATOM 1368 C PRO A 86 -10.275 -9.948 -8.835 1.00 0.00 C ATOM 1369 O PRO A 86 -9.420 -10.803 -8.653 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.641 -10.370 -9.472 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.584 -9.163 -9.598 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.325 -8.262 -8.399 1.00 0.00 C ATOM 0 HA PRO A 86 -11.662 -10.907 -7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.061 -10.498 -10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.212 -11.287 -9.326 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.400 -8.627 -10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.624 -9.488 -9.617 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -13.071 -7.251 -8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.213 -8.184 -7.771 1.00 0.00 H new ATOM 1380 N THR A 87 -10.044 -8.787 -9.474 1.00 0.00 N ATOM 1381 CA THR A 87 -8.723 -8.510 -10.047 1.00 0.00 C ATOM 1382 C THR A 87 -8.387 -7.123 -9.588 1.00 0.00 C ATOM 1383 O THR A 87 -9.211 -6.373 -9.072 1.00 0.00 O ATOM 1384 CB THR A 87 -8.627 -8.689 -11.578 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.461 -7.970 -12.188 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.954 -8.238 -12.189 1.00 0.00 C ATOM 0 H THR A 87 -10.735 -8.048 -9.603 1.00 0.00 H new ATOM 0 HA THR A 87 -7.996 -9.244 -9.699 1.00 0.00 H new ATOM 0 HB THR A 87 -8.447 -9.742 -11.797 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.453 -8.122 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.914 -8.354 -13.272 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.765 -8.847 -11.789 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.131 -7.191 -11.943 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.106 -6.814 -9.840 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.700 -5.527 -9.371 1.00 0.00 C ATOM 1396 C LEU A 88 -7.289 -4.470 -10.253 1.00 0.00 C ATOM 1397 O LEU A 88 -7.478 -3.395 -9.755 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.196 -5.280 -9.513 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.288 -6.091 -8.602 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.889 -5.530 -8.684 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.700 -5.916 -7.158 1.00 0.00 C ATOM 0 H LEU A 88 -6.411 -7.386 -10.319 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.015 -5.492 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.913 -5.483 -10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.005 -4.222 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.346 -7.135 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.228 -6.104 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.532 -5.593 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.896 -4.488 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.041 -6.503 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.629 -4.863 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.728 -6.256 -7.029 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.587 -4.759 -11.529 1.00 0.00 N ATOM 1414 CA GLN A 89 -8.146 -3.603 -12.297 1.00 0.00 C ATOM 1415 C GLN A 89 -9.497 -3.137 -11.749 1.00 0.00 C ATOM 1416 O GLN A 89 -9.834 -1.965 -11.849 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.142 -3.710 -13.846 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.315 -5.134 -14.395 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.727 -5.568 -14.812 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -10.003 -5.885 -15.962 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -10.581 -5.627 -13.781 1.00 0.00 N ATOM 0 H GLN A 89 -7.477 -5.650 -12.013 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.409 -2.821 -12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.942 -3.084 -14.241 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.203 -3.303 -14.222 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.661 -5.242 -15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.959 -5.832 -13.637 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.276 -5.345 -12.849 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.536 -5.954 -13.928 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.242 -4.095 -11.161 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.540 -3.731 -10.604 1.00 0.00 C ATOM 1432 C ALA A 90 -11.362 -3.044 -9.226 1.00 0.00 C ATOM 1433 O ALA A 90 -12.250 -2.368 -8.726 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.365 -5.024 -10.436 1.00 0.00 C ATOM 0 H ALA A 90 -9.977 -5.075 -11.066 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.048 -3.034 -11.270 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.343 -4.780 -10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.493 -5.503 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.843 -5.704 -9.762 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.180 -3.274 -8.628 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.815 -2.659 -7.357 1.00 0.00 C ATOM 1442 C LEU A 91 -9.407 -1.192 -7.592 1.00 0.00 C ATOM 1443 O LEU A 91 -9.890 -0.285 -6.935 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.745 -3.542 -6.689 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.720 -2.840 -5.781 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.229 -3.748 -4.650 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.497 -2.343 -6.561 1.00 0.00 C ATOM 0 H LEU A 91 -9.462 -3.887 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.652 -2.608 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.255 -4.302 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.199 -4.063 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.251 -1.988 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.508 -3.208 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.075 -4.051 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.754 -4.633 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.803 -1.855 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.002 -3.188 -7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.816 -1.632 -7.323 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.601 -1.027 -8.661 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.995 0.241 -9.058 1.00 0.00 C ATOM 1461 C VAL A 92 -9.072 1.196 -9.641 1.00 0.00 C ATOM 1462 O VAL A 92 -9.009 2.396 -9.429 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.831 -0.045 -10.075 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.689 0.958 -10.100 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.998 -1.305 -9.829 1.00 0.00 C ATOM 0 H VAL A 92 -8.353 -1.798 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.569 0.744 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.457 -0.066 -10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.951 0.650 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.076 1.943 -10.361 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.221 1.001 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.229 -1.389 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.526 -1.243 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.645 -2.182 -9.866 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.060 0.583 -10.364 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.225 1.265 -10.981 1.00 0.00 C ATOM 1477 C GLN A 93 -12.081 1.923 -9.891 1.00 0.00 C ATOM 1478 O GLN A 93 -12.427 3.091 -9.977 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.099 0.343 -11.867 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.217 -0.437 -11.182 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.041 -1.146 -12.258 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.990 -2.354 -12.441 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.798 -0.295 -12.958 1.00 0.00 N ATOM 0 H GLN A 93 -10.060 -0.423 -10.533 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.817 2.022 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.546 0.955 -12.650 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.441 -0.374 -12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.800 -1.163 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.849 0.236 -10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.781 0.701 -12.739 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.393 -0.642 -13.711 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.264 1.137 -8.812 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.134 1.602 -7.728 1.00 0.00 C ATOM 1494 C HIS A 94 -12.443 2.751 -6.996 1.00 0.00 C ATOM 1495 O HIS A 94 -13.023 3.809 -6.790 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.416 0.445 -6.751 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.458 0.847 -5.726 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.231 1.710 -4.711 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.799 0.426 -5.650 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.394 1.816 -4.044 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.359 1.051 -4.587 1.00 0.00 N ATOM 0 H HIS A 94 -11.841 0.219 -8.674 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.082 1.949 -8.139 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.762 -0.428 -7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.494 0.157 -6.245 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.291 -0.267 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.537 2.441 -3.175 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.322 0.960 -4.262 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.147 2.506 -6.716 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.333 3.524 -6.071 1.00 0.00 C ATOM 1511 C TYR A 95 -10.031 4.682 -7.050 1.00 0.00 C ATOM 1512 O TYR A 95 -9.520 5.710 -6.627 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.051 2.953 -5.445 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.337 2.070 -4.259 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.991 2.587 -3.161 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.963 0.743 -4.228 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.331 1.821 -2.076 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.237 -0.060 -3.134 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.903 0.479 -2.020 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.095 -0.312 -0.885 1.00 0.00 O ATOM 0 H TYR A 95 -10.663 1.633 -6.924 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.916 3.924 -5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.506 2.382 -6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.404 3.774 -5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.245 3.637 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.445 0.321 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.920 2.241 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.940 -1.098 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.171 -1.252 -1.151 1.00 0.00 H new ATOM 1530 N SER A 96 -10.339 4.477 -8.367 1.00 0.00 N ATOM 1531 CA SER A 96 -10.086 5.600 -9.274 1.00 0.00 C ATOM 1532 C SER A 96 -11.214 6.637 -9.237 1.00 0.00 C ATOM 1533 O SER A 96 -11.085 7.692 -9.850 1.00 0.00 O ATOM 1534 CB SER A 96 -10.039 5.163 -10.753 1.00 0.00 C ATOM 1535 OG SER A 96 -8.746 4.561 -11.163 1.00 0.00 O ATOM 0 H SER A 96 -10.724 3.627 -8.779 1.00 0.00 H new ATOM 0 HA SER A 96 -9.133 6.005 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.837 4.443 -10.934 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.241 6.029 -11.384 1.00 0.00 H new ATOM 0 HG SER A 96 -8.597 3.733 -10.661 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.309 6.303 -8.518 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.364 7.302 -8.454 1.00 0.00 C ATOM 1543 C LYS A 97 -13.569 7.845 -7.065 1.00 0.00 C ATOM 1544 O LYS A 97 -14.051 8.966 -6.930 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.697 6.543 -8.897 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.986 6.546 -10.396 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.122 5.556 -11.168 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.576 5.434 -12.636 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.113 6.546 -13.457 1.00 0.00 N ATOM 0 H LYS A 97 -12.469 5.428 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.104 8.149 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.635 5.509 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.542 6.998 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.037 6.307 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.822 7.549 -10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.081 5.876 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.171 4.578 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.202 4.499 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.664 5.387 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.444 6.417 -14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.490 7.438 -13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.074 6.577 -13.445 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.231 7.059 -6.045 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.349 7.519 -4.691 1.00 0.00 C ATOM 1565 C LYS A 98 -12.363 6.690 -3.857 1.00 0.00 C ATOM 1566 O LYS A 98 -12.285 5.475 -3.956 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.792 7.259 -4.236 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.121 8.106 -3.070 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.779 7.710 -1.703 1.00 0.00 C ATOM 1570 CE LYS A 98 -14.470 8.885 -0.752 1.00 0.00 C ATOM 1571 NZ LYS A 98 -15.424 9.001 0.340 1.00 0.00 N ATOM 0 H LYS A 98 -12.876 6.108 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.127 8.581 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.482 7.469 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.915 6.207 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.653 9.075 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.199 8.265 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.605 7.132 -1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.913 7.049 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.469 8.758 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.464 9.814 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.164 9.807 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.378 9.151 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.413 8.128 0.905 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.655 7.438 -2.997 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.687 6.915 -2.052 1.00 0.00 C ATOM 1587 C GLY A 99 -11.386 5.899 -1.152 1.00 0.00 C ATOM 1588 O GLY A 99 -11.131 4.708 -1.233 1.00 0.00 O ATOM 0 H GLY A 99 -11.751 8.452 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.858 6.445 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.266 7.724 -1.454 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.129 6.475 -0.191 1.00 0.00 N ATOM 1593 CA ASP A 100 -12.912 5.667 0.733 1.00 0.00 C ATOM 1594 C ASP A 100 -12.053 4.997 1.838 1.00 0.00 C ATOM 1595 O ASP A 100 -12.428 4.025 2.478 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.868 4.784 -0.064 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.076 4.193 0.688 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.047 3.985 1.906 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.086 4.027 0.023 1.00 0.00 O ATOM 0 H ASP A 100 -12.198 7.482 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.555 6.297 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.246 5.368 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.294 3.957 -0.483 1.00 0.00 H new ATOM 1604 N GLY A 101 -10.860 5.590 2.020 1.00 0.00 N ATOM 1605 CA GLY A 101 -9.997 5.037 3.048 1.00 0.00 C ATOM 1606 C GLY A 101 -8.532 5.182 2.725 1.00 0.00 C ATOM 1607 O GLY A 101 -7.696 5.110 3.617 1.00 0.00 O ATOM 0 H GLY A 101 -10.500 6.393 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.206 5.533 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.231 3.981 3.183 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.244 5.408 1.420 1.00 0.00 N ATOM 1612 CA LEU A 102 -6.821 5.521 1.107 1.00 0.00 C ATOM 1613 C LEU A 102 -6.293 6.961 1.237 1.00 0.00 C ATOM 1614 O LEU A 102 -5.207 7.254 0.753 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.520 5.035 -0.323 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.128 3.672 -0.703 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.641 3.247 -2.088 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.813 2.560 0.318 1.00 0.00 C ATOM 0 H LEU A 102 -8.905 5.505 0.649 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.315 4.891 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.884 5.784 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.439 4.978 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.210 3.807 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.077 2.282 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.944 3.991 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.554 3.164 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.270 1.626 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.733 2.429 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.213 2.838 1.293 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.078 7.817 1.932 1.00 0.00 N ATOM 1631 CA CYS A 103 -6.789 9.231 2.185 1.00 0.00 C ATOM 1632 C CYS A 103 -6.996 10.114 0.939 1.00 0.00 C ATOM 1633 O CYS A 103 -7.437 11.250 1.044 1.00 0.00 O ATOM 1634 CB CYS A 103 -5.385 9.486 2.764 1.00 0.00 C ATOM 1635 SG CYS A 103 -4.064 9.748 1.548 1.00 0.00 S ATOM 0 H CYS A 103 -7.963 7.521 2.344 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.517 9.515 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -5.434 10.360 3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.112 8.638 3.392 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.080 8.785 0.675 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.725 9.513 -0.236 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.806 10.178 -1.508 1.00 0.00 C ATOM 1643 C GLN A 104 -7.350 9.071 -2.416 1.00 0.00 C ATOM 1644 O GLN A 104 -8.030 8.160 -1.971 1.00 0.00 O ATOM 1645 CB GLN A 104 -5.377 10.657 -1.923 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.651 11.630 -0.951 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.610 13.076 -1.485 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -4.507 13.325 -2.680 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -4.705 14.009 -0.526 1.00 0.00 N ATOM 0 H GLN A 104 -6.441 8.536 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.431 11.071 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.748 9.776 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.451 11.142 -2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.156 11.617 0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.633 11.279 -0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.788 13.729 0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.694 14.998 -0.774 1.00 0.00 H new ATOM 1658 N LYS A 105 -6.922 9.136 -3.663 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.366 8.228 -4.698 1.00 0.00 C ATOM 1660 C LYS A 105 -6.471 8.429 -5.920 1.00 0.00 C ATOM 1661 O LYS A 105 -5.586 9.273 -5.931 1.00 0.00 O ATOM 1662 CB LYS A 105 -8.832 8.575 -5.024 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.087 9.792 -5.928 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.272 11.036 -5.163 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.618 11.621 -4.981 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.701 12.680 -3.967 1.00 0.00 N ATOM 0 H LYS A 105 -6.248 9.830 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.304 7.186 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.287 7.704 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.357 8.739 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.248 9.913 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.973 9.609 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.861 10.864 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.653 11.798 -5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.954 12.025 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.311 10.824 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.679 13.029 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.414 12.299 -3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.069 13.463 -4.230 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.804 7.639 -6.950 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.048 7.631 -8.192 1.00 0.00 C ATOM 1682 C LEU A 106 -6.425 8.782 -9.108 1.00 0.00 C ATOM 1683 O LEU A 106 -7.591 9.004 -9.412 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.249 6.338 -9.002 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.258 5.075 -8.136 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -5.892 3.812 -8.912 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.255 5.171 -7.011 1.00 0.00 C ATOM 0 H LEU A 106 -7.597 6.998 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.009 7.720 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.190 6.402 -9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.455 6.255 -9.744 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.281 5.006 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.917 2.953 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.607 3.662 -9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.890 3.918 -9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.287 4.258 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.255 5.299 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.498 6.025 -6.379 1.00 0.00 H new ATOM 1699 N THR A 107 -5.363 9.483 -9.516 1.00 0.00 N ATOM 1700 CA THR A 107 -5.559 10.584 -10.440 1.00 0.00 C ATOM 1701 C THR A 107 -4.818 10.274 -11.760 1.00 0.00 C ATOM 1702 O THR A 107 -5.434 10.182 -12.813 1.00 0.00 O ATOM 1703 CB THR A 107 -5.095 11.885 -9.834 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.669 11.688 -9.488 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.815 12.093 -8.470 1.00 0.00 C ATOM 0 H THR A 107 -4.399 9.312 -9.231 1.00 0.00 H new ATOM 0 HA THR A 107 -6.622 10.696 -10.653 1.00 0.00 H new ATOM 0 HB THR A 107 -5.281 12.715 -10.516 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.313 12.509 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.486 13.032 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.893 12.125 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.571 11.268 -7.800 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.474 10.099 -11.627 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.635 9.769 -12.781 1.00 0.00 C ATOM 1715 C LEU A 108 -1.592 8.762 -12.320 1.00 0.00 C ATOM 1716 O LEU A 108 -0.917 9.036 -11.343 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.908 10.971 -13.384 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.819 11.907 -14.193 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.667 13.369 -13.766 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.552 11.735 -15.693 1.00 0.00 C ATOM 0 H LEU A 108 -2.970 10.182 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.292 9.379 -13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.440 11.540 -12.581 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.107 10.612 -14.030 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.852 11.628 -13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.330 13.994 -14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.928 13.469 -12.712 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.635 13.687 -13.916 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.203 12.403 -16.257 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.511 11.976 -15.907 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.752 10.703 -15.982 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.427 7.607 -13.032 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.426 6.614 -12.634 1.00 0.00 C ATOM 1734 C PRO A 109 0.996 7.240 -12.686 1.00 0.00 C ATOM 1735 O PRO A 109 1.162 8.425 -12.952 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.589 5.433 -13.617 1.00 0.00 C ATOM 1737 CG PRO A 109 -1.819 5.750 -14.484 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.228 7.211 -14.174 1.00 0.00 C ATOM 0 HA PRO A 109 -0.563 6.270 -11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.301 5.318 -14.235 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.726 4.496 -13.078 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.586 5.631 -15.542 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.636 5.065 -14.259 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.040 7.860 -15.029 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.292 7.281 -13.949 1.00 0.00 H new ATOM 1746 N CYS A 110 2.016 6.390 -12.500 1.00 0.00 N ATOM 1747 CA CYS A 110 3.372 6.937 -12.508 1.00 0.00 C ATOM 1748 C CYS A 110 3.809 7.400 -13.918 1.00 0.00 C ATOM 1749 O CYS A 110 3.274 6.971 -14.931 1.00 0.00 O ATOM 1750 CB CYS A 110 4.329 5.875 -11.959 1.00 0.00 C ATOM 1751 SG CYS A 110 5.440 6.571 -10.718 1.00 0.00 S ATOM 0 H CYS A 110 1.937 5.384 -12.351 1.00 0.00 H new ATOM 0 HA CYS A 110 3.395 7.825 -11.876 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.756 5.058 -11.520 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.913 5.451 -12.776 1.00 0.00 H new ATOM 0 HG CYS A 110 6.288 7.370 -11.294 1.00 0.00 H new ATOM 1757 N VAL A 111 4.781 8.324 -13.917 1.00 0.00 N ATOM 1758 CA VAL A 111 5.326 8.828 -15.171 1.00 0.00 C ATOM 1759 C VAL A 111 6.292 7.774 -15.730 1.00 0.00 C ATOM 1760 O VAL A 111 6.883 6.994 -14.990 1.00 0.00 O ATOM 1761 CB VAL A 111 6.024 10.185 -14.988 1.00 0.00 C ATOM 1762 CG1 VAL A 111 7.333 10.075 -14.181 1.00 0.00 C ATOM 1763 CG2 VAL A 111 6.275 10.875 -16.346 1.00 0.00 C ATOM 0 H VAL A 111 5.195 8.727 -13.076 1.00 0.00 H new ATOM 0 HA VAL A 111 4.513 8.999 -15.876 1.00 0.00 H new ATOM 0 HB VAL A 111 5.342 10.806 -14.407 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.784 11.063 -14.082 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.117 9.674 -13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.025 9.411 -14.699 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.770 11.832 -16.182 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.909 10.240 -16.965 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.324 11.040 -16.851 1.00 0.00 H new ATOM 1773 N ASN A 112 6.395 7.781 -17.070 1.00 0.00 N ATOM 1774 CA ASN A 112 7.303 6.858 -17.741 1.00 0.00 C ATOM 1775 C ASN A 112 8.768 7.264 -17.487 1.00 0.00 C ATOM 1776 O ASN A 112 9.438 6.707 -16.628 1.00 0.00 O ATOM 1777 CB ASN A 112 6.978 6.808 -19.248 1.00 0.00 C ATOM 1778 CG ASN A 112 5.912 5.749 -19.549 1.00 0.00 C ATOM 1779 OD1 ASN A 112 5.203 5.270 -18.674 1.00 0.00 O ATOM 1780 ND2 ASN A 112 5.871 5.395 -20.839 1.00 0.00 N ATOM 0 H ASN A 112 5.873 8.401 -17.689 1.00 0.00 H new ATOM 0 HA ASN A 112 7.167 5.856 -17.333 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.628 7.785 -19.580 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.884 6.586 -19.811 1.00 0.00 H new ATOM 0 HD21 ASN A 112 5.215 4.679 -21.151 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.496 5.841 -21.510 1.00 0.00 H new ATOM 1787 N LEU A 113 9.217 8.257 -18.277 1.00 0.00 N ATOM 1788 CA LEU A 113 10.592 8.728 -18.152 1.00 0.00 C ATOM 1789 C LEU A 113 10.820 9.432 -16.800 1.00 0.00 C ATOM 1790 O LEU A 113 10.096 10.341 -16.415 1.00 0.00 O ATOM 1791 CB LEU A 113 10.897 9.702 -19.301 1.00 0.00 C ATOM 1792 CG LEU A 113 9.886 10.866 -19.418 1.00 0.00 C ATOM 1793 CD1 LEU A 113 10.585 12.227 -19.343 1.00 0.00 C ATOM 1794 CD2 LEU A 113 9.050 10.751 -20.698 1.00 0.00 C ATOM 0 H LEU A 113 8.659 8.732 -18.987 1.00 0.00 H new ATOM 0 HA LEU A 113 11.260 7.868 -18.201 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.896 10.114 -19.160 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.910 9.149 -20.240 1.00 0.00 H new ATOM 0 HG LEU A 113 9.209 10.793 -18.567 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.844 13.022 -19.429 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.105 12.317 -18.389 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.304 12.312 -20.158 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.349 11.584 -20.751 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.709 10.775 -21.566 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.497 9.812 -20.688 1.00 0.00 H new ATOM 1806 N ALA A 114 11.866 8.929 -16.110 1.00 0.00 N ATOM 1807 CA ALA A 114 12.241 9.486 -14.815 1.00 0.00 C ATOM 1808 C ALA A 114 13.180 10.698 -15.035 1.00 0.00 C ATOM 1809 O ALA A 114 12.682 11.806 -15.219 1.00 0.00 O ATOM 1810 CB ALA A 114 12.888 8.393 -13.948 1.00 0.00 C ATOM 1811 OXT ALA A 114 14.399 10.523 -15.034 1.00 0.00 O ATOM 0 H ALA A 114 12.448 8.154 -16.429 1.00 0.00 H new ATOM 0 HA ALA A 114 11.359 9.841 -14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.167 8.813 -12.981 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.178 7.579 -13.799 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.778 8.011 -14.448 1.00 0.00 H new TER 1817 ALA A 114