USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 855 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 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= -0.661 F(o=-2.3!,f=-0.66) USER MOD Set 2.1: A 27 TYR OH : rot -117:sc= 0.394 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.676 K(o=-11,f=-12!) USER MOD Set 2.3: A 32 MET CE :methyl -118:sc= -10.4! (180deg=-17.3!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -159:sc= -0.137 (180deg=-1.03) USER MOD Set 3.2: A 8 HIS : no HD1:sc= -0.733 K(o=-0.87,f=-1.8) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.00511 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 3 SER OG : rot 63:sc= 0.0617 USER MOD Single : A 4 THR OG1 : rot 42:sc= 0.227 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= -0.182 (180deg=-0.182) USER MOD Single : A 26 MET CE :methyl -121:sc= -0.0116 (180deg=-0.88) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.058 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -149:sc= -1.3 USER MOD Single : A 44 THR OG1 : rot 58:sc= 0.129 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=-0.36) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.135) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 62 THR OG1 : rot 89:sc= -0.398 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.171 (180deg=-0.524) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 0.437 (180deg=0.138) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 0.262 F(o=-3.5!,f=0.26) USER MOD Single : A 82 THR OG1 : rot 97:sc= 0.803 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 0:sc= -3.04! USER MOD Single : A 93 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= -2.86! (180deg=-2.93!) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.535 K(o=-0.53,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.612 13.915 -23.565 1.00 0.00 N ATOM 2 CA ALA A 1 6.793 13.174 -22.281 1.00 0.00 C ATOM 3 C ALA A 1 8.284 13.118 -21.921 1.00 0.00 C ATOM 4 O ALA A 1 9.125 12.845 -22.762 1.00 0.00 O ATOM 5 CB ALA A 1 6.250 11.749 -22.428 1.00 0.00 C ATOM 0 H1 ALA A 1 5.922 13.415 -24.160 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.266 14.875 -23.366 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.523 13.972 -24.064 1.00 0.00 H new ATOM 0 HA ALA A 1 6.249 13.690 -21.490 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.383 11.210 -21.490 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.189 11.788 -22.677 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.790 11.234 -23.222 1.00 0.00 H new ATOM 13 N THR A 2 8.618 13.375 -20.674 1.00 0.00 N ATOM 14 CA THR A 2 10.054 13.340 -20.247 1.00 0.00 C ATOM 15 C THR A 2 10.177 12.626 -18.894 1.00 0.00 C ATOM 16 O THR A 2 10.825 11.599 -18.789 1.00 0.00 O ATOM 17 CB THR A 2 10.600 14.773 -20.128 1.00 0.00 C ATOM 18 OG1 THR A 2 9.641 15.605 -19.485 1.00 0.00 O ATOM 19 CG2 THR A 2 10.903 15.323 -21.524 1.00 0.00 C ATOM 0 H THR A 2 7.955 13.608 -19.934 1.00 0.00 H new ATOM 0 HA THR A 2 10.634 12.797 -20.994 1.00 0.00 H new ATOM 0 HB THR A 2 11.515 14.759 -19.536 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.995 16.516 -19.411 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.290 16.338 -21.439 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.646 14.691 -22.011 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.989 15.332 -22.118 1.00 0.00 H new ATOM 27 N SER A 3 9.562 13.161 -17.864 1.00 0.00 N ATOM 28 CA SER A 3 9.641 12.519 -16.517 1.00 0.00 C ATOM 29 C SER A 3 8.326 12.750 -15.755 1.00 0.00 C ATOM 30 O SER A 3 8.304 13.351 -14.694 1.00 0.00 O ATOM 31 CB SER A 3 10.823 13.111 -15.736 1.00 0.00 C ATOM 32 OG SER A 3 10.740 14.532 -15.745 1.00 0.00 O ATOM 0 H SER A 3 9.008 14.017 -17.901 1.00 0.00 H new ATOM 0 HA SER A 3 9.795 11.446 -16.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.814 12.743 -14.710 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.764 12.789 -16.182 1.00 0.00 H new ATOM 0 HG SER A 3 9.919 14.815 -15.291 1.00 0.00 H new ATOM 38 N THR A 4 7.230 12.269 -16.293 1.00 0.00 N ATOM 39 CA THR A 4 5.908 12.445 -15.616 1.00 0.00 C ATOM 40 C THR A 4 5.159 11.106 -15.610 1.00 0.00 C ATOM 41 O THR A 4 4.650 10.664 -16.626 1.00 0.00 O ATOM 42 CB THR A 4 5.077 13.508 -16.354 1.00 0.00 C ATOM 43 OG1 THR A 4 5.130 13.272 -17.757 1.00 0.00 O ATOM 44 CG2 THR A 4 5.637 14.900 -16.050 1.00 0.00 C ATOM 0 H THR A 4 7.196 11.760 -17.176 1.00 0.00 H new ATOM 0 HA THR A 4 6.068 12.776 -14.590 1.00 0.00 H new ATOM 0 HB THR A 4 4.042 13.451 -16.017 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.042 12.312 -17.931 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.047 15.652 -16.574 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.590 15.085 -14.977 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.674 14.956 -16.383 1.00 0.00 H new ATOM 52 N LYS A 5 5.098 10.458 -14.466 1.00 0.00 N ATOM 53 CA LYS A 5 4.394 9.138 -14.359 1.00 0.00 C ATOM 54 C LYS A 5 5.010 8.135 -15.354 1.00 0.00 C ATOM 55 O LYS A 5 4.310 7.374 -16.002 1.00 0.00 O ATOM 56 CB LYS A 5 2.898 9.331 -14.651 1.00 0.00 C ATOM 57 CG LYS A 5 2.068 8.620 -13.577 1.00 0.00 C ATOM 58 CD LYS A 5 2.082 9.444 -12.284 1.00 0.00 C ATOM 59 CE LYS A 5 0.943 10.469 -12.315 1.00 0.00 C ATOM 60 NZ LYS A 5 -0.282 9.877 -11.705 1.00 0.00 N ATOM 0 H LYS A 5 5.510 10.792 -13.595 1.00 0.00 H new ATOM 0 HA LYS A 5 4.510 8.743 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.655 10.393 -14.669 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.655 8.932 -15.636 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.043 8.487 -13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.473 7.625 -13.390 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.970 8.787 -11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.040 9.953 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.234 11.367 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.740 10.771 -13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.053 10.575 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.564 9.032 -12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.085 9.611 -10.719 1.00 0.00 H new ATOM 74 N LYS A 6 6.320 8.128 -15.470 1.00 0.00 N ATOM 75 CA LYS A 6 6.998 7.181 -16.411 1.00 0.00 C ATOM 76 C LYS A 6 7.154 5.799 -15.755 1.00 0.00 C ATOM 77 O LYS A 6 7.332 4.804 -16.435 1.00 0.00 O ATOM 78 CB LYS A 6 8.380 7.730 -16.782 1.00 0.00 C ATOM 79 CG LYS A 6 9.297 7.723 -15.555 1.00 0.00 C ATOM 80 CD LYS A 6 10.463 8.693 -15.776 1.00 0.00 C ATOM 81 CE LYS A 6 11.561 8.005 -16.594 1.00 0.00 C ATOM 82 NZ LYS A 6 12.122 6.855 -15.824 1.00 0.00 N ATOM 0 H LYS A 6 6.949 8.741 -14.951 1.00 0.00 H new ATOM 0 HA LYS A 6 6.390 7.079 -17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.818 7.126 -17.576 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.285 8.745 -17.169 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.735 8.012 -14.667 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.677 6.717 -15.379 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.113 9.584 -16.297 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.863 9.021 -14.816 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.155 7.655 -17.543 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.352 8.717 -16.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.066 6.618 -16.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.197 7.113 -14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.495 6.031 -15.924 1.00 0.00 H new ATOM 96 N LEU A 7 7.099 5.742 -14.442 1.00 0.00 N ATOM 97 CA LEU A 7 7.249 4.445 -13.706 1.00 0.00 C ATOM 98 C LEU A 7 8.696 3.943 -13.845 1.00 0.00 C ATOM 99 O LEU A 7 9.011 3.137 -14.705 1.00 0.00 O ATOM 100 CB LEU A 7 6.254 3.401 -14.250 1.00 0.00 C ATOM 101 CG LEU A 7 5.014 3.355 -13.344 1.00 0.00 C ATOM 102 CD1 LEU A 7 3.846 4.073 -14.024 1.00 0.00 C ATOM 103 CD2 LEU A 7 4.622 1.898 -13.075 1.00 0.00 C ATOM 0 H LEU A 7 6.954 6.554 -13.842 1.00 0.00 H new ATOM 0 HA LEU A 7 7.028 4.601 -12.650 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.964 3.656 -15.269 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.726 2.419 -14.289 1.00 0.00 H new ATOM 0 HG LEU A 7 5.247 3.851 -12.402 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.970 4.037 -13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.117 5.112 -14.210 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.618 3.582 -14.970 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.742 1.871 -12.432 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.397 1.401 -14.019 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.447 1.384 -12.582 1.00 0.00 H new ATOM 115 N HIS A 8 9.579 4.423 -12.992 1.00 0.00 N ATOM 116 CA HIS A 8 11.012 3.997 -13.040 1.00 0.00 C ATOM 117 C HIS A 8 11.148 2.627 -12.348 1.00 0.00 C ATOM 118 O HIS A 8 10.306 1.778 -12.519 1.00 0.00 O ATOM 119 CB HIS A 8 11.874 5.056 -12.334 1.00 0.00 C ATOM 120 CG HIS A 8 13.208 5.173 -13.026 1.00 0.00 C ATOM 121 ND1 HIS A 8 13.827 6.396 -13.234 1.00 0.00 N ATOM 122 CD2 HIS A 8 14.054 4.231 -13.558 1.00 0.00 C ATOM 123 CE1 HIS A 8 14.991 6.159 -13.868 1.00 0.00 C ATOM 124 NE2 HIS A 8 15.178 4.855 -14.089 1.00 0.00 N ATOM 0 H HIS A 8 9.360 5.098 -12.259 1.00 0.00 H new ATOM 0 HA HIS A 8 11.351 3.904 -14.072 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.363 6.019 -12.344 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.019 4.782 -11.289 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.874 3.166 -13.563 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.688 6.929 -14.162 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.974 4.412 -14.548 1.00 0.00 H new ATOM 132 N LYS A 9 12.192 2.399 -11.580 1.00 0.00 N ATOM 133 CA LYS A 9 12.357 1.073 -10.896 1.00 0.00 C ATOM 134 C LYS A 9 13.366 1.204 -9.745 1.00 0.00 C ATOM 135 O LYS A 9 14.416 1.805 -9.893 1.00 0.00 O ATOM 136 CB LYS A 9 12.849 0.025 -11.907 1.00 0.00 C ATOM 137 CG LYS A 9 13.830 0.669 -12.895 1.00 0.00 C ATOM 138 CD LYS A 9 14.450 -0.411 -13.786 1.00 0.00 C ATOM 139 CE LYS A 9 13.638 -0.537 -15.078 1.00 0.00 C ATOM 140 NZ LYS A 9 14.063 0.519 -16.043 1.00 0.00 N ATOM 0 H LYS A 9 12.935 3.073 -11.398 1.00 0.00 H new ATOM 0 HA LYS A 9 11.396 0.755 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.335 -0.798 -11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.002 -0.398 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.312 1.406 -13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.612 1.199 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.484 -0.156 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.467 -1.366 -13.260 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.784 -1.524 -15.516 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.574 -0.439 -14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.510 0.431 -16.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.902 1.457 -15.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.074 0.406 -16.259 1.00 0.00 H new ATOM 154 N GLU A 10 13.047 0.645 -8.598 1.00 0.00 N ATOM 155 CA GLU A 10 13.962 0.722 -7.421 1.00 0.00 C ATOM 156 C GLU A 10 13.534 -0.351 -6.416 1.00 0.00 C ATOM 157 O GLU A 10 12.380 -0.402 -6.044 1.00 0.00 O ATOM 158 CB GLU A 10 13.847 2.107 -6.773 1.00 0.00 C ATOM 159 CG GLU A 10 15.133 2.432 -6.001 1.00 0.00 C ATOM 160 CD GLU A 10 15.031 1.909 -4.560 1.00 0.00 C ATOM 161 OE1 GLU A 10 14.124 2.328 -3.856 1.00 0.00 O ATOM 162 OE2 GLU A 10 15.867 1.105 -4.184 1.00 0.00 O ATOM 0 H GLU A 10 12.180 0.134 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 10 14.995 0.561 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.672 2.863 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.991 2.132 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.990 1.980 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.300 3.509 -5.994 1.00 0.00 H new ATOM 169 N PRO A 11 14.456 -1.186 -6.007 1.00 0.00 N ATOM 170 CA PRO A 11 14.148 -2.260 -5.049 1.00 0.00 C ATOM 171 C PRO A 11 13.475 -1.701 -3.789 1.00 0.00 C ATOM 172 O PRO A 11 13.700 -0.573 -3.390 1.00 0.00 O ATOM 173 CB PRO A 11 15.498 -2.901 -4.727 1.00 0.00 C ATOM 174 CG PRO A 11 16.547 -2.276 -5.680 1.00 0.00 C ATOM 175 CD PRO A 11 15.860 -1.137 -6.453 1.00 0.00 C ATOM 0 HA PRO A 11 13.445 -2.986 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.770 -2.722 -3.687 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.452 -3.982 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.398 -1.895 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.933 -3.027 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.315 -0.173 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.940 -1.283 -7.530 1.00 0.00 H new ATOM 183 N ALA A 12 12.634 -2.494 -3.177 1.00 0.00 N ATOM 184 CA ALA A 12 11.906 -2.045 -1.954 1.00 0.00 C ATOM 185 C ALA A 12 11.908 -3.173 -0.908 1.00 0.00 C ATOM 186 O ALA A 12 12.761 -4.044 -0.930 1.00 0.00 O ATOM 187 CB ALA A 12 10.470 -1.700 -2.347 1.00 0.00 C ATOM 0 H ALA A 12 12.419 -3.445 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 12 12.394 -1.170 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.921 -1.369 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.478 -0.903 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.986 -2.582 -2.766 1.00 0.00 H new ATOM 193 N THR A 13 10.959 -3.170 0.004 1.00 0.00 N ATOM 194 CA THR A 13 10.900 -4.241 1.041 1.00 0.00 C ATOM 195 C THR A 13 9.436 -4.473 1.422 1.00 0.00 C ATOM 196 O THR A 13 8.713 -3.543 1.740 1.00 0.00 O ATOM 197 CB THR A 13 11.715 -3.818 2.274 1.00 0.00 C ATOM 198 OG1 THR A 13 11.700 -4.866 3.236 1.00 0.00 O ATOM 199 CG2 THR A 13 11.119 -2.550 2.890 1.00 0.00 C ATOM 0 H THR A 13 10.223 -2.467 0.070 1.00 0.00 H new ATOM 0 HA THR A 13 11.325 -5.165 0.650 1.00 0.00 H new ATOM 0 HB THR A 13 12.742 -3.616 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.221 -4.597 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.704 -2.260 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.139 -1.745 2.156 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.089 -2.741 3.191 1.00 0.00 H new ATOM 207 N LEU A 14 8.988 -5.704 1.378 1.00 0.00 N ATOM 208 CA LEU A 14 7.566 -5.994 1.723 1.00 0.00 C ATOM 209 C LEU A 14 7.318 -5.698 3.206 1.00 0.00 C ATOM 210 O LEU A 14 7.876 -6.333 4.084 1.00 0.00 O ATOM 211 CB LEU A 14 7.235 -7.463 1.417 1.00 0.00 C ATOM 212 CG LEU A 14 7.969 -8.400 2.384 1.00 0.00 C ATOM 213 CD1 LEU A 14 6.992 -8.899 3.456 1.00 0.00 C ATOM 214 CD2 LEU A 14 8.529 -9.593 1.607 1.00 0.00 C ATOM 0 H LEU A 14 9.546 -6.517 1.118 1.00 0.00 H new ATOM 0 HA LEU A 14 6.920 -5.356 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.160 -7.622 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.518 -7.698 0.391 1.00 0.00 H new ATOM 0 HG LEU A 14 8.786 -7.861 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.514 -9.565 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.593 -8.049 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.174 -9.439 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.051 -10.261 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.711 -10.132 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.224 -9.238 0.846 1.00 0.00 H new ATOM 226 N ILE A 15 6.484 -4.734 3.490 1.00 0.00 N ATOM 227 CA ILE A 15 6.191 -4.408 4.918 1.00 0.00 C ATOM 228 C ILE A 15 4.697 -4.658 5.210 1.00 0.00 C ATOM 229 O ILE A 15 4.048 -3.886 5.895 1.00 0.00 O ATOM 230 CB ILE A 15 6.586 -2.950 5.238 1.00 0.00 C ATOM 231 CG1 ILE A 15 6.505 -2.089 3.975 1.00 0.00 C ATOM 232 CG2 ILE A 15 8.019 -2.922 5.776 1.00 0.00 C ATOM 233 CD1 ILE A 15 6.707 -0.612 4.328 1.00 0.00 C ATOM 0 H ILE A 15 5.996 -4.161 2.802 1.00 0.00 H new ATOM 0 HA ILE A 15 6.785 -5.057 5.562 1.00 0.00 H new ATOM 0 HB ILE A 15 5.899 -2.552 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.264 -2.407 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.537 -2.226 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.302 -1.894 6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.079 -3.524 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.697 -3.328 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.647 -0.010 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.932 -0.295 5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.686 -0.479 4.788 1.00 0.00 H new ATOM 245 N LYS A 16 4.170 -5.762 4.704 1.00 0.00 N ATOM 246 CA LYS A 16 2.733 -6.146 4.940 1.00 0.00 C ATOM 247 C LYS A 16 1.783 -5.377 4.011 1.00 0.00 C ATOM 248 O LYS A 16 1.909 -4.182 3.819 1.00 0.00 O ATOM 249 CB LYS A 16 2.346 -5.874 6.401 1.00 0.00 C ATOM 250 CG LYS A 16 1.316 -6.910 6.863 1.00 0.00 C ATOM 251 CD LYS A 16 1.962 -7.862 7.876 1.00 0.00 C ATOM 252 CE LYS A 16 2.036 -7.182 9.247 1.00 0.00 C ATOM 253 NZ LYS A 16 2.857 -8.014 10.174 1.00 0.00 N ATOM 0 H LYS A 16 4.689 -6.423 4.127 1.00 0.00 H new ATOM 0 HA LYS A 16 2.638 -7.210 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.231 -5.918 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.934 -4.869 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.459 -6.410 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.942 -7.472 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.382 -8.782 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.962 -8.140 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.474 -6.189 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.033 -7.049 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.906 -7.551 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.421 -8.952 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.817 -8.119 9.788 1.00 0.00 H new ATOM 267 N ALA A 17 0.816 -6.072 3.451 1.00 0.00 N ATOM 268 CA ALA A 17 -0.185 -5.421 2.542 1.00 0.00 C ATOM 269 C ALA A 17 -1.386 -4.931 3.367 1.00 0.00 C ATOM 270 O ALA A 17 -1.359 -4.950 4.586 1.00 0.00 O ATOM 271 CB ALA A 17 -0.660 -6.435 1.496 1.00 0.00 C ATOM 0 H ALA A 17 0.677 -7.073 3.587 1.00 0.00 H new ATOM 0 HA ALA A 17 0.279 -4.572 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.387 -5.963 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.192 -6.780 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.123 -7.285 1.997 1.00 0.00 H new ATOM 277 N ILE A 18 -2.433 -4.481 2.711 1.00 0.00 N ATOM 278 CA ILE A 18 -3.631 -3.972 3.452 1.00 0.00 C ATOM 279 C ILE A 18 -4.924 -4.359 2.707 1.00 0.00 C ATOM 280 O ILE A 18 -5.788 -5.015 3.262 1.00 0.00 O ATOM 281 CB ILE A 18 -3.522 -2.443 3.565 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.563 -2.077 4.706 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.899 -1.832 3.852 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.389 -1.264 4.151 1.00 0.00 C ATOM 0 H ILE A 18 -2.508 -4.445 1.694 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.666 -4.416 4.447 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.143 -2.049 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.090 -1.501 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.195 -2.982 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.807 -0.749 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.584 -2.081 3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.286 -2.231 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.709 -1.005 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.856 -1.856 3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.765 -0.352 3.688 1.00 0.00 H new ATOM 296 N ASP A 19 -5.068 -3.943 1.468 1.00 0.00 N ATOM 297 CA ASP A 19 -6.308 -4.265 0.689 1.00 0.00 C ATOM 298 C ASP A 19 -5.945 -4.530 -0.786 1.00 0.00 C ATOM 299 O ASP A 19 -4.861 -5.001 -1.078 1.00 0.00 O ATOM 300 CB ASP A 19 -7.276 -3.076 0.791 1.00 0.00 C ATOM 301 CG ASP A 19 -8.713 -3.585 0.950 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.367 -3.786 -0.061 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.135 -3.766 2.081 1.00 0.00 O ATOM 0 H ASP A 19 -4.375 -3.391 0.961 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.781 -5.159 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.007 -2.449 1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.198 -2.455 -0.101 1.00 0.00 H new ATOM 308 N GLY A 20 -6.846 -4.236 -1.710 1.00 0.00 N ATOM 309 CA GLY A 20 -6.565 -4.467 -3.168 1.00 0.00 C ATOM 310 C GLY A 20 -5.232 -3.817 -3.550 1.00 0.00 C ATOM 311 O GLY A 20 -4.199 -4.462 -3.536 1.00 0.00 O ATOM 0 H GLY A 20 -7.766 -3.844 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.531 -5.536 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.370 -4.050 -3.773 1.00 0.00 H new ATOM 315 N ASP A 21 -5.240 -2.542 -3.866 1.00 0.00 N ATOM 316 CA ASP A 21 -3.960 -1.852 -4.211 1.00 0.00 C ATOM 317 C ASP A 21 -3.350 -1.255 -2.939 1.00 0.00 C ATOM 318 O ASP A 21 -2.265 -0.710 -2.970 1.00 0.00 O ATOM 319 CB ASP A 21 -4.201 -0.724 -5.227 1.00 0.00 C ATOM 320 CG ASP A 21 -4.238 -1.294 -6.657 1.00 0.00 C ATOM 321 OD1 ASP A 21 -3.393 -2.116 -6.981 1.00 0.00 O ATOM 322 OD2 ASP A 21 -5.104 -0.888 -7.412 1.00 0.00 O ATOM 0 H ASP A 21 -6.073 -1.955 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.282 -2.582 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.141 -0.219 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.411 0.023 -5.146 1.00 0.00 H new ATOM 327 N THR A 22 -4.037 -1.358 -1.820 1.00 0.00 N ATOM 328 CA THR A 22 -3.500 -0.797 -0.550 1.00 0.00 C ATOM 329 C THR A 22 -2.441 -1.758 0.005 1.00 0.00 C ATOM 330 O THR A 22 -2.760 -2.833 0.480 1.00 0.00 O ATOM 331 CB THR A 22 -4.634 -0.644 0.475 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.833 -0.227 -0.172 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.231 0.388 1.528 1.00 0.00 C ATOM 0 H THR A 22 -4.948 -1.809 -1.740 1.00 0.00 H new ATOM 0 HA THR A 22 -3.058 0.181 -0.740 1.00 0.00 H new ATOM 0 HB THR A 22 -4.812 -1.607 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.548 -0.135 0.492 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.035 0.498 2.256 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.325 0.056 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.046 1.347 1.045 1.00 0.00 H new ATOM 341 N VAL A 23 -1.184 -1.387 -0.062 1.00 0.00 N ATOM 342 CA VAL A 23 -0.099 -2.282 0.455 1.00 0.00 C ATOM 343 C VAL A 23 1.042 -1.441 1.031 1.00 0.00 C ATOM 344 O VAL A 23 1.267 -0.318 0.619 1.00 0.00 O ATOM 345 CB VAL A 23 0.447 -3.159 -0.681 1.00 0.00 C ATOM 346 CG1 VAL A 23 -0.650 -4.100 -1.181 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.925 -2.271 -1.836 1.00 0.00 C ATOM 0 H VAL A 23 -0.862 -0.502 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.515 -2.917 1.237 1.00 0.00 H new ATOM 0 HB VAL A 23 1.284 -3.748 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.258 -4.720 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.984 -4.737 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.491 -3.514 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.312 -2.897 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.090 -1.677 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.713 -1.607 -1.482 1.00 0.00 H new ATOM 357 N LYS A 24 1.770 -1.984 1.977 1.00 0.00 N ATOM 358 CA LYS A 24 2.904 -1.227 2.578 1.00 0.00 C ATOM 359 C LYS A 24 4.213 -1.650 1.905 1.00 0.00 C ATOM 360 O LYS A 24 4.425 -2.818 1.621 1.00 0.00 O ATOM 361 CB LYS A 24 2.976 -1.519 4.081 1.00 0.00 C ATOM 362 CG LYS A 24 3.350 -0.242 4.836 1.00 0.00 C ATOM 363 CD LYS A 24 3.710 -0.590 6.282 1.00 0.00 C ATOM 364 CE LYS A 24 4.023 0.694 7.055 1.00 0.00 C ATOM 365 NZ LYS A 24 4.853 0.370 8.250 1.00 0.00 N ATOM 0 H LYS A 24 1.625 -2.920 2.357 1.00 0.00 H new ATOM 0 HA LYS A 24 2.750 -0.159 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.016 -1.894 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.714 -2.297 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.193 0.248 4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.518 0.461 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.884 -1.120 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.571 -1.258 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.552 1.397 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.097 1.179 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.064 1.244 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.332 -0.286 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.742 -0.074 7.945 1.00 0.00 H new ATOM 379 N LEU A 25 5.096 -0.710 1.656 1.00 0.00 N ATOM 380 CA LEU A 25 6.400 -1.051 1.009 1.00 0.00 C ATOM 381 C LEU A 25 7.435 0.042 1.317 1.00 0.00 C ATOM 382 O LEU A 25 7.236 1.202 1.010 1.00 0.00 O ATOM 383 CB LEU A 25 6.198 -1.181 -0.505 1.00 0.00 C ATOM 384 CG LEU A 25 7.546 -1.397 -1.196 1.00 0.00 C ATOM 385 CD1 LEU A 25 7.380 -2.391 -2.347 1.00 0.00 C ATOM 386 CD2 LEU A 25 8.058 -0.060 -1.742 1.00 0.00 C ATOM 0 H LEU A 25 4.968 0.278 1.874 1.00 0.00 H new ATOM 0 HA LEU A 25 6.767 -1.999 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.531 -2.016 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.720 -0.282 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 25 8.263 -1.795 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.341 -2.543 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.017 -3.342 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.663 -1.997 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.018 -0.212 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.341 0.338 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.179 0.646 -0.920 1.00 0.00 H new ATOM 398 N MET A 26 8.539 -0.328 1.927 1.00 0.00 N ATOM 399 CA MET A 26 9.595 0.675 2.268 1.00 0.00 C ATOM 400 C MET A 26 10.676 0.679 1.180 1.00 0.00 C ATOM 401 O MET A 26 11.564 -0.155 1.166 1.00 0.00 O ATOM 402 CB MET A 26 10.220 0.320 3.624 1.00 0.00 C ATOM 403 CG MET A 26 10.208 1.550 4.536 1.00 0.00 C ATOM 404 SD MET A 26 10.400 1.029 6.261 1.00 0.00 S ATOM 405 CE MET A 26 12.173 0.666 6.202 1.00 0.00 C ATOM 0 H MET A 26 8.752 -1.286 2.203 1.00 0.00 H new ATOM 0 HA MET A 26 9.147 1.667 2.327 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.665 -0.495 4.089 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.243 -0.030 3.483 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.014 2.229 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.274 2.098 4.413 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.340 -0.377 6.469 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.548 0.847 5.195 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.700 1.310 6.907 1.00 0.00 H new ATOM 415 N TYR A 27 10.605 1.619 0.269 1.00 0.00 N ATOM 416 CA TYR A 27 11.623 1.699 -0.824 1.00 0.00 C ATOM 417 C TYR A 27 12.655 2.787 -0.490 1.00 0.00 C ATOM 418 O TYR A 27 13.820 2.663 -0.821 1.00 0.00 O ATOM 419 CB TYR A 27 10.928 2.018 -2.158 1.00 0.00 C ATOM 420 CG TYR A 27 10.640 3.500 -2.255 1.00 0.00 C ATOM 421 CD1 TYR A 27 9.535 4.041 -1.595 1.00 0.00 C ATOM 422 CD2 TYR A 27 11.491 4.331 -2.993 1.00 0.00 C ATOM 423 CE1 TYR A 27 9.276 5.413 -1.673 1.00 0.00 C ATOM 424 CE2 TYR A 27 11.233 5.701 -3.070 1.00 0.00 C ATOM 425 CZ TYR A 27 10.125 6.244 -2.410 1.00 0.00 C ATOM 426 OH TYR A 27 9.870 7.599 -2.486 1.00 0.00 O ATOM 0 H TYR A 27 9.882 2.338 0.236 1.00 0.00 H new ATOM 0 HA TYR A 27 12.135 0.741 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.561 1.708 -2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.999 1.454 -2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.880 3.400 -1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.347 3.913 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.420 5.831 -1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.889 6.342 -3.640 1.00 0.00 H new ATOM 0 HH TYR A 27 9.688 7.846 -3.417 1.00 0.00 H new ATOM 436 N LYS A 28 12.234 3.849 0.166 1.00 0.00 N ATOM 437 CA LYS A 28 13.184 4.943 0.525 1.00 0.00 C ATOM 438 C LYS A 28 13.293 5.047 2.049 1.00 0.00 C ATOM 439 O LYS A 28 13.519 6.112 2.599 1.00 0.00 O ATOM 440 CB LYS A 28 12.688 6.271 -0.061 1.00 0.00 C ATOM 441 CG LYS A 28 13.840 6.977 -0.784 1.00 0.00 C ATOM 442 CD LYS A 28 14.159 6.243 -2.090 1.00 0.00 C ATOM 443 CE LYS A 28 15.667 6.000 -2.192 1.00 0.00 C ATOM 444 NZ LYS A 28 15.930 4.858 -3.114 1.00 0.00 N ATOM 0 H LYS A 28 11.271 4.000 0.466 1.00 0.00 H new ATOM 0 HA LYS A 28 14.168 4.721 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.867 6.090 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.299 6.908 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.570 8.012 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.722 7.001 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.625 5.293 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.818 6.831 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.166 6.898 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.078 5.786 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.844 4.423 -2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.174 4.151 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.956 5.203 -4.095 1.00 0.00 H new ATOM 458 N GLY A 29 13.140 3.938 2.733 1.00 0.00 N ATOM 459 CA GLY A 29 13.236 3.943 4.220 1.00 0.00 C ATOM 460 C GLY A 29 11.977 4.559 4.847 1.00 0.00 C ATOM 461 O GLY A 29 11.918 4.754 6.048 1.00 0.00 O ATOM 0 H GLY A 29 12.952 3.025 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.367 2.924 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.115 4.508 4.530 1.00 0.00 H new ATOM 465 N GLN A 30 10.972 4.867 4.054 1.00 0.00 N ATOM 466 CA GLN A 30 9.727 5.470 4.617 1.00 0.00 C ATOM 467 C GLN A 30 8.549 4.491 4.454 1.00 0.00 C ATOM 468 O GLN A 30 8.325 3.975 3.377 1.00 0.00 O ATOM 469 CB GLN A 30 9.419 6.795 3.895 1.00 0.00 C ATOM 470 CG GLN A 30 9.122 6.537 2.409 1.00 0.00 C ATOM 471 CD GLN A 30 9.687 7.674 1.544 1.00 0.00 C ATOM 472 OE1 GLN A 30 10.648 8.323 1.913 1.00 0.00 O ATOM 473 NE2 GLN A 30 9.131 7.940 0.389 1.00 0.00 N ATOM 0 H GLN A 30 10.965 4.725 3.044 1.00 0.00 H new ATOM 0 HA GLN A 30 9.873 5.670 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.564 7.282 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.266 7.475 3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.561 5.587 2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.046 6.455 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.325 7.399 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.504 8.688 -0.196 1.00 0.00 H new ATOM 482 N PRO A 31 7.830 4.264 5.534 1.00 0.00 N ATOM 483 CA PRO A 31 6.662 3.356 5.532 1.00 0.00 C ATOM 484 C PRO A 31 5.511 3.995 4.737 1.00 0.00 C ATOM 485 O PRO A 31 4.997 5.034 5.113 1.00 0.00 O ATOM 486 CB PRO A 31 6.278 3.215 7.013 1.00 0.00 C ATOM 487 CG PRO A 31 7.149 4.212 7.821 1.00 0.00 C ATOM 488 CD PRO A 31 8.127 4.878 6.842 1.00 0.00 C ATOM 0 HA PRO A 31 6.877 2.392 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.219 3.429 7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.446 2.194 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.523 4.961 8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.692 3.692 8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.983 5.958 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.162 4.702 7.136 1.00 0.00 H new ATOM 496 N MET A 32 5.115 3.394 3.637 1.00 0.00 N ATOM 497 CA MET A 32 4.005 3.989 2.814 1.00 0.00 C ATOM 498 C MET A 32 2.869 2.979 2.599 1.00 0.00 C ATOM 499 O MET A 32 3.000 1.806 2.877 1.00 0.00 O ATOM 500 CB MET A 32 4.557 4.418 1.454 1.00 0.00 C ATOM 501 CG MET A 32 5.130 3.203 0.725 1.00 0.00 C ATOM 502 SD MET A 32 6.466 3.723 -0.379 1.00 0.00 S ATOM 503 CE MET A 32 7.480 4.575 0.849 1.00 0.00 C ATOM 0 H MET A 32 5.507 2.525 3.274 1.00 0.00 H new ATOM 0 HA MET A 32 3.606 4.849 3.351 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.767 4.873 0.857 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.332 5.173 1.587 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.505 2.478 1.447 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.346 2.707 0.153 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.564 5.629 0.583 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.015 4.484 1.831 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.473 4.127 0.875 1.00 0.00 H new ATOM 513 N THR A 33 1.759 3.451 2.078 1.00 0.00 N ATOM 514 CA THR A 33 0.589 2.567 1.795 1.00 0.00 C ATOM 515 C THR A 33 0.216 2.770 0.322 1.00 0.00 C ATOM 516 O THR A 33 -0.735 3.454 -0.007 1.00 0.00 O ATOM 517 CB THR A 33 -0.582 2.947 2.708 1.00 0.00 C ATOM 518 OG1 THR A 33 -0.150 2.947 4.063 1.00 0.00 O ATOM 519 CG2 THR A 33 -1.718 1.938 2.537 1.00 0.00 C ATOM 0 H THR A 33 1.616 4.431 1.834 1.00 0.00 H new ATOM 0 HA THR A 33 0.830 1.521 1.984 1.00 0.00 H new ATOM 0 HB THR A 33 -0.938 3.942 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.899 3.192 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.549 2.212 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.054 1.940 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.363 0.942 2.801 1.00 0.00 H new ATOM 527 N PHE A 34 1.001 2.199 -0.558 1.00 0.00 N ATOM 528 CA PHE A 34 0.791 2.343 -2.037 1.00 0.00 C ATOM 529 C PHE A 34 -0.688 2.345 -2.428 1.00 0.00 C ATOM 530 O PHE A 34 -1.448 1.484 -2.027 1.00 0.00 O ATOM 531 CB PHE A 34 1.472 1.172 -2.736 1.00 0.00 C ATOM 532 CG PHE A 34 2.930 1.481 -2.907 1.00 0.00 C ATOM 533 CD1 PHE A 34 3.803 1.348 -1.823 1.00 0.00 C ATOM 534 CD2 PHE A 34 3.409 1.909 -4.146 1.00 0.00 C ATOM 535 CE1 PHE A 34 5.155 1.644 -1.982 1.00 0.00 C ATOM 536 CE2 PHE A 34 4.764 2.203 -4.304 1.00 0.00 C ATOM 537 CZ PHE A 34 5.638 2.070 -3.219 1.00 0.00 C ATOM 0 H PHE A 34 1.803 1.621 -0.307 1.00 0.00 H new ATOM 0 HA PHE A 34 1.213 3.302 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.347 0.261 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.009 0.993 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.430 1.017 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.732 2.013 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.831 1.543 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.138 2.533 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.687 2.297 -3.340 1.00 0.00 H new ATOM 547 N ARG A 35 -1.092 3.309 -3.228 1.00 0.00 N ATOM 548 CA ARG A 35 -2.503 3.371 -3.679 1.00 0.00 C ATOM 549 C ARG A 35 -2.585 3.886 -5.127 1.00 0.00 C ATOM 550 O ARG A 35 -3.641 4.265 -5.559 1.00 0.00 O ATOM 551 CB ARG A 35 -3.277 4.304 -2.759 1.00 0.00 C ATOM 552 CG ARG A 35 -4.562 3.618 -2.290 1.00 0.00 C ATOM 553 CD ARG A 35 -4.361 3.042 -0.885 1.00 0.00 C ATOM 554 NE ARG A 35 -5.257 3.742 0.081 1.00 0.00 N ATOM 555 CZ ARG A 35 -5.528 3.199 1.238 1.00 0.00 C ATOM 556 NH1 ARG A 35 -4.725 3.384 2.253 1.00 0.00 N ATOM 557 NH2 ARG A 35 -6.608 2.472 1.378 1.00 0.00 N ATOM 0 H ARG A 35 -0.493 4.054 -3.584 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.934 2.370 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.663 4.574 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.518 5.229 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.385 4.332 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.834 2.822 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.576 1.973 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.321 3.158 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.659 4.647 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.886 3.953 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.938 2.959 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.234 2.331 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.823 2.046 2.280 1.00 0.00 H new ATOM 571 N LEU A 36 -1.482 3.892 -5.875 1.00 0.00 N ATOM 572 CA LEU A 36 -1.495 4.383 -7.316 1.00 0.00 C ATOM 573 C LEU A 36 -2.568 5.474 -7.483 1.00 0.00 C ATOM 574 O LEU A 36 -2.399 6.584 -7.013 1.00 0.00 O ATOM 575 CB LEU A 36 -1.776 3.206 -8.276 1.00 0.00 C ATOM 576 CG LEU A 36 -2.806 2.245 -7.669 1.00 0.00 C ATOM 577 CD1 LEU A 36 -3.806 1.817 -8.746 1.00 0.00 C ATOM 578 CD2 LEU A 36 -2.082 1.016 -7.113 1.00 0.00 C ATOM 0 H LEU A 36 -0.570 3.576 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.519 4.804 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.144 3.587 -9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.850 2.670 -8.484 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.344 2.744 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.537 1.134 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.318 2.696 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.276 1.315 -9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.810 0.330 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.545 0.515 -7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.375 1.327 -6.344 1.00 0.00 H new ATOM 590 N LEU A 37 -3.696 5.150 -8.081 1.00 0.00 N ATOM 591 CA LEU A 37 -4.796 6.140 -8.187 1.00 0.00 C ATOM 592 C LEU A 37 -5.433 6.137 -6.799 1.00 0.00 C ATOM 593 O LEU A 37 -5.452 7.146 -6.124 1.00 0.00 O ATOM 594 CB LEU A 37 -5.801 5.683 -9.253 1.00 0.00 C ATOM 595 CG LEU A 37 -6.808 6.802 -9.537 1.00 0.00 C ATOM 596 CD1 LEU A 37 -6.302 7.668 -10.692 1.00 0.00 C ATOM 597 CD2 LEU A 37 -8.156 6.184 -9.917 1.00 0.00 C ATOM 0 H LEU A 37 -3.892 4.239 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.456 7.133 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.275 5.415 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.324 4.789 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.925 7.420 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.020 8.463 -10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.341 8.106 -10.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.184 7.052 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.876 6.977 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.035 5.567 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.518 5.567 -9.095 1.00 0.00 H new ATOM 609 N LEU A 38 -5.850 4.952 -6.360 1.00 0.00 N ATOM 610 CA LEU A 38 -6.405 4.721 -4.977 1.00 0.00 C ATOM 611 C LEU A 38 -7.593 3.741 -5.010 1.00 0.00 C ATOM 612 O LEU A 38 -8.748 4.124 -4.991 1.00 0.00 O ATOM 613 CB LEU A 38 -6.737 6.035 -4.232 1.00 0.00 C ATOM 614 CG LEU A 38 -7.914 6.849 -4.847 1.00 0.00 C ATOM 615 CD1 LEU A 38 -8.238 6.441 -6.295 1.00 0.00 C ATOM 616 CD2 LEU A 38 -9.163 6.668 -3.980 1.00 0.00 C ATOM 0 H LEU A 38 -5.824 4.108 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.614 4.252 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.978 5.799 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.847 6.664 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.602 7.893 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.066 7.044 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.362 6.602 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.516 5.387 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.989 7.237 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.430 5.612 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.960 7.026 -2.971 1.00 0.00 H new ATOM 628 N VAL A 39 -7.287 2.454 -5.063 1.00 0.00 N ATOM 629 CA VAL A 39 -8.350 1.389 -5.102 1.00 0.00 C ATOM 630 C VAL A 39 -9.533 1.734 -4.164 1.00 0.00 C ATOM 631 O VAL A 39 -10.674 1.713 -4.588 1.00 0.00 O ATOM 632 CB VAL A 39 -7.712 0.033 -4.714 1.00 0.00 C ATOM 633 CG1 VAL A 39 -8.570 -0.718 -3.692 1.00 0.00 C ATOM 634 CG2 VAL A 39 -7.582 -0.829 -5.970 1.00 0.00 C ATOM 0 H VAL A 39 -6.332 2.096 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.756 1.327 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.736 0.229 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.092 -1.665 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.673 -0.115 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.556 -0.909 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.133 -1.787 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.569 -0.996 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.950 -0.319 -6.697 1.00 0.00 H new ATOM 644 N ASP A 40 -9.282 2.052 -2.907 1.00 0.00 N ATOM 645 CA ASP A 40 -10.414 2.392 -1.979 1.00 0.00 C ATOM 646 C ASP A 40 -9.905 3.228 -0.790 1.00 0.00 C ATOM 647 O ASP A 40 -9.925 2.792 0.348 1.00 0.00 O ATOM 648 CB ASP A 40 -11.101 1.104 -1.469 1.00 0.00 C ATOM 649 CG ASP A 40 -10.074 0.024 -1.069 1.00 0.00 C ATOM 650 OD1 ASP A 40 -9.048 0.365 -0.496 1.00 0.00 O ATOM 651 OD2 ASP A 40 -10.344 -1.137 -1.331 1.00 0.00 O ATOM 0 H ASP A 40 -8.352 2.090 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.145 2.982 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.729 1.343 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.758 0.711 -2.245 1.00 0.00 H new ATOM 656 N THR A 41 -9.454 4.431 -1.055 1.00 0.00 N ATOM 657 CA THR A 41 -8.944 5.320 0.027 1.00 0.00 C ATOM 658 C THR A 41 -10.115 6.100 0.655 1.00 0.00 C ATOM 659 O THR A 41 -10.707 6.944 0.004 1.00 0.00 O ATOM 660 CB THR A 41 -7.944 6.306 -0.590 1.00 0.00 C ATOM 661 OG1 THR A 41 -6.803 5.601 -1.053 1.00 0.00 O ATOM 662 CG2 THR A 41 -7.516 7.330 0.454 1.00 0.00 C ATOM 0 H THR A 41 -9.419 4.837 -1.990 1.00 0.00 H new ATOM 0 HA THR A 41 -8.460 4.726 0.802 1.00 0.00 H new ATOM 0 HB THR A 41 -8.420 6.819 -1.426 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.012 6.176 -0.983 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.806 8.027 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.390 7.877 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.045 6.819 1.294 1.00 0.00 H new ATOM 670 N PRO A 42 -10.411 5.802 1.905 1.00 0.00 N ATOM 671 CA PRO A 42 -11.502 6.477 2.641 1.00 0.00 C ATOM 672 C PRO A 42 -11.114 7.936 2.928 1.00 0.00 C ATOM 673 O PRO A 42 -10.057 8.204 3.474 1.00 0.00 O ATOM 674 CB PRO A 42 -11.632 5.691 3.954 1.00 0.00 C ATOM 675 CG PRO A 42 -10.471 4.664 4.003 1.00 0.00 C ATOM 676 CD PRO A 42 -9.696 4.770 2.681 1.00 0.00 C ATOM 0 HA PRO A 42 -12.436 6.496 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.584 6.364 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.595 5.183 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.814 4.869 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.859 3.655 4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.658 5.053 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.683 3.817 2.153 1.00 0.00 H new ATOM 684 N GLU A 43 -11.956 8.877 2.567 1.00 0.00 N ATOM 685 CA GLU A 43 -11.636 10.314 2.819 1.00 0.00 C ATOM 686 C GLU A 43 -12.493 10.841 3.983 1.00 0.00 C ATOM 687 O GLU A 43 -12.975 10.079 4.804 1.00 0.00 O ATOM 688 CB GLU A 43 -11.898 11.127 1.537 1.00 0.00 C ATOM 689 CG GLU A 43 -13.406 11.242 1.271 1.00 0.00 C ATOM 690 CD GLU A 43 -13.730 12.646 0.748 1.00 0.00 C ATOM 691 OE1 GLU A 43 -13.636 13.586 1.523 1.00 0.00 O ATOM 692 OE2 GLU A 43 -14.067 12.760 -0.419 1.00 0.00 O ATOM 0 H GLU A 43 -12.851 8.708 2.108 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.586 10.416 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.463 12.122 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.409 10.648 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.716 10.492 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.963 11.047 2.187 1.00 0.00 H new ATOM 699 N THR A 44 -12.678 12.137 4.062 1.00 0.00 N ATOM 700 CA THR A 44 -13.494 12.726 5.171 1.00 0.00 C ATOM 701 C THR A 44 -14.712 13.458 4.584 1.00 0.00 C ATOM 702 O THR A 44 -14.734 14.674 4.482 1.00 0.00 O ATOM 703 CB THR A 44 -12.631 13.706 5.987 1.00 0.00 C ATOM 704 OG1 THR A 44 -11.928 14.577 5.109 1.00 0.00 O ATOM 705 CG2 THR A 44 -11.630 12.922 6.839 1.00 0.00 C ATOM 0 H THR A 44 -12.297 12.816 3.403 1.00 0.00 H new ATOM 0 HA THR A 44 -13.841 11.928 5.828 1.00 0.00 H new ATOM 0 HB THR A 44 -13.278 14.296 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.568 15.064 4.550 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.020 13.617 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.169 12.262 7.519 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.987 12.327 6.190 1.00 0.00 H new ATOM 713 N LYS A 45 -15.729 12.720 4.201 1.00 0.00 N ATOM 714 CA LYS A 45 -16.957 13.352 3.625 1.00 0.00 C ATOM 715 C LYS A 45 -18.169 12.452 3.900 1.00 0.00 C ATOM 716 O LYS A 45 -19.008 12.771 4.722 1.00 0.00 O ATOM 717 CB LYS A 45 -16.787 13.537 2.111 1.00 0.00 C ATOM 718 CG LYS A 45 -16.456 14.999 1.802 1.00 0.00 C ATOM 719 CD LYS A 45 -17.740 15.835 1.826 1.00 0.00 C ATOM 720 CE LYS A 45 -17.383 17.324 1.856 1.00 0.00 C ATOM 721 NZ LYS A 45 -17.205 17.768 3.270 1.00 0.00 N ATOM 0 H LYS A 45 -15.759 11.702 4.264 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.112 14.326 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.992 12.889 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.701 13.244 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.746 15.384 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.979 15.075 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.346 15.614 0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.338 15.576 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.468 17.500 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.170 17.907 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.963 18.779 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.089 17.614 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.439 17.220 3.712 1.00 0.00 H new ATOM 735 N HIS A 46 -18.263 11.333 3.215 1.00 0.00 N ATOM 736 CA HIS A 46 -19.416 10.404 3.427 1.00 0.00 C ATOM 737 C HIS A 46 -18.932 8.949 3.292 1.00 0.00 C ATOM 738 O HIS A 46 -19.062 8.347 2.240 1.00 0.00 O ATOM 739 CB HIS A 46 -20.502 10.695 2.382 1.00 0.00 C ATOM 740 CG HIS A 46 -21.281 11.917 2.787 1.00 0.00 C ATOM 741 ND1 HIS A 46 -20.929 13.191 2.367 1.00 0.00 N ATOM 742 CD2 HIS A 46 -22.393 12.077 3.576 1.00 0.00 C ATOM 743 CE1 HIS A 46 -21.814 14.053 2.902 1.00 0.00 C ATOM 744 NE2 HIS A 46 -22.728 13.426 3.646 1.00 0.00 N ATOM 0 H HIS A 46 -17.586 11.025 2.516 1.00 0.00 H new ATOM 0 HA HIS A 46 -19.830 10.551 4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.047 10.850 1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.171 9.839 2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.927 11.277 4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -21.788 15.122 2.748 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -23.505 13.846 4.156 1.00 0.00 H new ATOM 752 N PRO A 47 -18.383 8.429 4.371 1.00 0.00 N ATOM 753 CA PRO A 47 -17.866 7.044 4.411 1.00 0.00 C ATOM 754 C PRO A 47 -19.005 6.039 4.185 1.00 0.00 C ATOM 755 O PRO A 47 -20.077 6.166 4.753 1.00 0.00 O ATOM 756 CB PRO A 47 -17.277 6.885 5.821 1.00 0.00 C ATOM 757 CG PRO A 47 -17.516 8.213 6.585 1.00 0.00 C ATOM 758 CD PRO A 47 -18.231 9.182 5.631 1.00 0.00 C ATOM 0 HA PRO A 47 -17.126 6.857 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -17.752 6.053 6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.212 6.661 5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -18.120 8.038 7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.569 8.636 6.920 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -19.199 9.486 6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.648 10.091 5.481 1.00 0.00 H new ATOM 766 N LYS A 48 -18.778 5.044 3.358 1.00 0.00 N ATOM 767 CA LYS A 48 -19.839 4.026 3.085 1.00 0.00 C ATOM 768 C LYS A 48 -19.957 3.069 4.281 1.00 0.00 C ATOM 769 O LYS A 48 -18.981 2.489 4.723 1.00 0.00 O ATOM 770 CB LYS A 48 -19.480 3.233 1.823 1.00 0.00 C ATOM 771 CG LYS A 48 -20.764 2.760 1.137 1.00 0.00 C ATOM 772 CD LYS A 48 -20.420 2.114 -0.207 1.00 0.00 C ATOM 773 CE LYS A 48 -21.656 2.124 -1.112 1.00 0.00 C ATOM 774 NZ LYS A 48 -22.568 1.008 -0.727 1.00 0.00 N ATOM 0 H LYS A 48 -17.900 4.895 2.860 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.793 4.532 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.899 3.855 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.857 2.377 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -21.286 2.045 1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -21.439 3.603 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.603 2.655 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.077 1.091 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -22.176 3.078 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.356 2.019 -2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -23.406 1.017 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -22.070 0.101 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.864 1.127 0.263 1.00 0.00 H new ATOM 788 N LYS A 49 -21.150 2.910 4.806 1.00 0.00 N ATOM 789 CA LYS A 49 -21.354 2.000 5.977 1.00 0.00 C ATOM 790 C LYS A 49 -22.176 0.774 5.552 1.00 0.00 C ATOM 791 O LYS A 49 -22.782 0.753 4.494 1.00 0.00 O ATOM 792 CB LYS A 49 -22.100 2.756 7.082 1.00 0.00 C ATOM 793 CG LYS A 49 -21.146 3.743 7.763 1.00 0.00 C ATOM 794 CD LYS A 49 -20.606 3.130 9.059 1.00 0.00 C ATOM 795 CE LYS A 49 -21.448 3.607 10.247 1.00 0.00 C ATOM 796 NZ LYS A 49 -22.534 2.621 10.522 1.00 0.00 N ATOM 0 H LYS A 49 -21.994 3.374 4.471 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.384 1.668 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -22.952 3.290 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -22.496 2.053 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.321 3.987 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.667 4.676 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.632 2.042 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.564 3.416 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.818 3.723 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.878 4.585 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.996 2.856 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.236 2.654 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.129 1.665 10.579 1.00 0.00 H new ATOM 810 N GLY A 50 -22.197 -0.248 6.377 1.00 0.00 N ATOM 811 CA GLY A 50 -22.973 -1.483 6.042 1.00 0.00 C ATOM 812 C GLY A 50 -22.230 -2.716 6.570 1.00 0.00 C ATOM 813 O GLY A 50 -22.005 -2.851 7.759 1.00 0.00 O ATOM 0 H GLY A 50 -21.707 -0.278 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.969 -1.430 6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.105 -1.560 4.963 1.00 0.00 H new ATOM 817 N VAL A 51 -21.851 -3.615 5.690 1.00 0.00 N ATOM 818 CA VAL A 51 -21.116 -4.848 6.127 1.00 0.00 C ATOM 819 C VAL A 51 -19.959 -5.144 5.160 1.00 0.00 C ATOM 820 O VAL A 51 -19.572 -6.283 4.965 1.00 0.00 O ATOM 821 CB VAL A 51 -22.073 -6.047 6.157 1.00 0.00 C ATOM 822 CG1 VAL A 51 -22.866 -6.043 7.467 1.00 0.00 C ATOM 823 CG2 VAL A 51 -23.044 -5.981 4.973 1.00 0.00 C ATOM 0 H VAL A 51 -22.019 -3.548 4.686 1.00 0.00 H new ATOM 0 HA VAL A 51 -20.716 -4.679 7.127 1.00 0.00 H new ATOM 0 HB VAL A 51 -21.488 -6.964 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -23.544 -6.896 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -22.177 -6.110 8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -23.441 -5.120 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -23.717 -6.838 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -23.625 -5.060 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -22.481 -5.998 4.040 1.00 0.00 H new ATOM 833 N GLU A 52 -19.406 -4.121 4.562 1.00 0.00 N ATOM 834 CA GLU A 52 -18.275 -4.308 3.608 1.00 0.00 C ATOM 835 C GLU A 52 -17.020 -4.762 4.370 1.00 0.00 C ATOM 836 O GLU A 52 -16.493 -4.049 5.207 1.00 0.00 O ATOM 837 CB GLU A 52 -18.008 -2.984 2.880 1.00 0.00 C ATOM 838 CG GLU A 52 -17.769 -1.852 3.891 1.00 0.00 C ATOM 839 CD GLU A 52 -18.874 -0.798 3.756 1.00 0.00 C ATOM 840 OE1 GLU A 52 -18.719 0.095 2.939 1.00 0.00 O ATOM 841 OE2 GLU A 52 -19.857 -0.903 4.472 1.00 0.00 O ATOM 0 H GLU A 52 -19.695 -3.152 4.697 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.532 -5.074 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.139 -3.088 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.856 -2.736 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.757 -2.253 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.794 -1.396 3.717 1.00 0.00 H new ATOM 848 N LYS A 53 -16.547 -5.954 4.088 1.00 0.00 N ATOM 849 CA LYS A 53 -15.334 -6.477 4.791 1.00 0.00 C ATOM 850 C LYS A 53 -14.695 -7.606 3.960 1.00 0.00 C ATOM 851 O LYS A 53 -14.274 -8.620 4.490 1.00 0.00 O ATOM 852 CB LYS A 53 -15.746 -7.012 6.169 1.00 0.00 C ATOM 853 CG LYS A 53 -14.866 -6.384 7.253 1.00 0.00 C ATOM 854 CD LYS A 53 -15.280 -6.923 8.626 1.00 0.00 C ATOM 855 CE LYS A 53 -16.449 -6.099 9.175 1.00 0.00 C ATOM 856 NZ LYS A 53 -17.382 -6.992 9.922 1.00 0.00 N ATOM 0 H LYS A 53 -16.951 -6.588 3.399 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.606 -5.675 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.794 -6.782 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.648 -8.097 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.817 -6.613 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.964 -5.299 7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.569 -7.971 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.436 -6.878 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.077 -5.313 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.976 -5.607 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.175 -6.432 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.747 -7.726 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.875 -7.441 10.711 1.00 0.00 H new ATOM 870 N TYR A 54 -14.617 -7.433 2.659 1.00 0.00 N ATOM 871 CA TYR A 54 -14.007 -8.487 1.791 1.00 0.00 C ATOM 872 C TYR A 54 -12.478 -8.364 1.826 1.00 0.00 C ATOM 873 O TYR A 54 -11.781 -9.350 1.963 1.00 0.00 O ATOM 874 CB TYR A 54 -14.503 -8.325 0.350 1.00 0.00 C ATOM 875 CG TYR A 54 -15.107 -9.625 -0.135 1.00 0.00 C ATOM 876 CD1 TYR A 54 -14.398 -10.827 0.002 1.00 0.00 C ATOM 877 CD2 TYR A 54 -16.378 -9.628 -0.721 1.00 0.00 C ATOM 878 CE1 TYR A 54 -14.962 -12.027 -0.448 1.00 0.00 C ATOM 879 CE2 TYR A 54 -16.941 -10.828 -1.169 1.00 0.00 C ATOM 880 CZ TYR A 54 -16.233 -12.028 -1.033 1.00 0.00 C ATOM 881 OH TYR A 54 -16.789 -13.212 -1.475 1.00 0.00 O ATOM 0 H TYR A 54 -14.950 -6.606 2.164 1.00 0.00 H new ATOM 0 HA TYR A 54 -14.299 -9.469 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -15.245 -7.528 0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.676 -8.034 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.417 -10.827 0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.925 -8.703 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.415 -12.953 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.922 -10.828 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 54 -17.675 -13.036 -1.854 1.00 0.00 H new ATOM 891 N GLY A 55 -11.959 -7.160 1.705 1.00 0.00 N ATOM 892 CA GLY A 55 -10.475 -6.957 1.734 1.00 0.00 C ATOM 893 C GLY A 55 -9.854 -7.400 0.401 1.00 0.00 C ATOM 894 O GLY A 55 -10.085 -6.771 -0.617 1.00 0.00 O ATOM 0 H GLY A 55 -12.505 -6.307 1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.248 -5.907 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.038 -7.527 2.554 1.00 0.00 H new ATOM 898 N PRO A 56 -9.079 -8.468 0.449 1.00 0.00 N ATOM 899 CA PRO A 56 -8.406 -9.016 -0.749 1.00 0.00 C ATOM 900 C PRO A 56 -9.420 -9.299 -1.867 1.00 0.00 C ATOM 901 O PRO A 56 -9.452 -8.594 -2.855 1.00 0.00 O ATOM 902 CB PRO A 56 -7.733 -10.311 -0.267 1.00 0.00 C ATOM 903 CG PRO A 56 -7.954 -10.415 1.263 1.00 0.00 C ATOM 904 CD PRO A 56 -8.810 -9.214 1.695 1.00 0.00 C ATOM 0 HA PRO A 56 -7.684 -8.316 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.160 -11.176 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.668 -10.298 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.454 -11.351 1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.999 -10.412 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.737 -9.540 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.283 -8.594 2.420 1.00 0.00 H new ATOM 912 N GLU A 57 -10.238 -10.321 -1.710 1.00 0.00 N ATOM 913 CA GLU A 57 -11.267 -10.685 -2.747 1.00 0.00 C ATOM 914 C GLU A 57 -10.669 -10.605 -4.169 1.00 0.00 C ATOM 915 O GLU A 57 -11.264 -10.046 -5.075 1.00 0.00 O ATOM 916 CB GLU A 57 -12.500 -9.766 -2.611 1.00 0.00 C ATOM 917 CG GLU A 57 -12.143 -8.307 -2.934 1.00 0.00 C ATOM 918 CD GLU A 57 -13.394 -7.425 -2.827 1.00 0.00 C ATOM 919 OE1 GLU A 57 -14.350 -7.688 -3.542 1.00 0.00 O ATOM 920 OE2 GLU A 57 -13.372 -6.497 -2.035 1.00 0.00 O ATOM 0 H GLU A 57 -10.235 -10.929 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.582 -11.715 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.288 -10.108 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.895 -9.831 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.377 -7.951 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.725 -8.240 -3.939 1.00 0.00 H new ATOM 927 N ALA A 58 -9.490 -11.175 -4.360 1.00 0.00 N ATOM 928 CA ALA A 58 -8.813 -11.166 -5.706 1.00 0.00 C ATOM 929 C ALA A 58 -8.145 -9.804 -5.985 1.00 0.00 C ATOM 930 O ALA A 58 -7.312 -9.694 -6.867 1.00 0.00 O ATOM 931 CB ALA A 58 -9.828 -11.474 -6.815 1.00 0.00 C ATOM 0 H ALA A 58 -8.964 -11.652 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.042 -11.936 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.325 -11.464 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.266 -12.457 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.615 -10.720 -6.808 1.00 0.00 H new ATOM 937 N SER A 59 -8.493 -8.774 -5.244 1.00 0.00 N ATOM 938 CA SER A 59 -7.875 -7.431 -5.463 1.00 0.00 C ATOM 939 C SER A 59 -6.498 -7.390 -4.790 1.00 0.00 C ATOM 940 O SER A 59 -5.517 -7.002 -5.400 1.00 0.00 O ATOM 941 CB SER A 59 -8.779 -6.351 -4.862 1.00 0.00 C ATOM 942 OG SER A 59 -8.658 -5.156 -5.622 1.00 0.00 O ATOM 0 H SER A 59 -9.183 -8.811 -4.494 1.00 0.00 H new ATOM 0 HA SER A 59 -7.759 -7.249 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.815 -6.689 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.501 -6.165 -3.825 1.00 0.00 H new ATOM 0 HG SER A 59 -9.238 -4.465 -5.239 1.00 0.00 H new ATOM 948 N ALA A 60 -6.417 -7.798 -3.540 1.00 0.00 N ATOM 949 CA ALA A 60 -5.101 -7.797 -2.824 1.00 0.00 C ATOM 950 C ALA A 60 -4.163 -8.816 -3.480 1.00 0.00 C ATOM 951 O ALA A 60 -2.959 -8.658 -3.447 1.00 0.00 O ATOM 952 CB ALA A 60 -5.303 -8.166 -1.354 1.00 0.00 C ATOM 0 H ALA A 60 -7.207 -8.131 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.663 -6.801 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.341 -8.162 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.966 -7.440 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.746 -9.159 -1.286 1.00 0.00 H new ATOM 958 N PHE A 61 -4.707 -9.853 -4.086 1.00 0.00 N ATOM 959 CA PHE A 61 -3.849 -10.878 -4.764 1.00 0.00 C ATOM 960 C PHE A 61 -2.989 -10.199 -5.842 1.00 0.00 C ATOM 961 O PHE A 61 -1.941 -10.695 -6.213 1.00 0.00 O ATOM 962 CB PHE A 61 -4.740 -11.941 -5.415 1.00 0.00 C ATOM 963 CG PHE A 61 -4.822 -13.152 -4.516 1.00 0.00 C ATOM 964 CD1 PHE A 61 -3.685 -13.941 -4.297 1.00 0.00 C ATOM 965 CD2 PHE A 61 -6.033 -13.487 -3.901 1.00 0.00 C ATOM 966 CE1 PHE A 61 -3.761 -15.063 -3.463 1.00 0.00 C ATOM 967 CE2 PHE A 61 -6.109 -14.609 -3.067 1.00 0.00 C ATOM 968 CZ PHE A 61 -4.973 -15.396 -2.848 1.00 0.00 C ATOM 0 H PHE A 61 -5.710 -10.030 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.199 -11.350 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.737 -11.537 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.336 -12.224 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.750 -13.684 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.910 -12.880 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.885 -15.671 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.044 -14.867 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.032 -16.261 -2.204 1.00 0.00 H new ATOM 978 N THR A 62 -3.426 -9.064 -6.336 1.00 0.00 N ATOM 979 CA THR A 62 -2.650 -8.328 -7.376 1.00 0.00 C ATOM 980 C THR A 62 -1.448 -7.643 -6.718 1.00 0.00 C ATOM 981 O THR A 62 -0.321 -7.812 -7.145 1.00 0.00 O ATOM 982 CB THR A 62 -3.555 -7.270 -8.024 1.00 0.00 C ATOM 983 OG1 THR A 62 -4.816 -7.846 -8.339 1.00 0.00 O ATOM 984 CG2 THR A 62 -2.902 -6.749 -9.302 1.00 0.00 C ATOM 0 H THR A 62 -4.298 -8.614 -6.057 1.00 0.00 H new ATOM 0 HA THR A 62 -2.299 -9.023 -8.138 1.00 0.00 H new ATOM 0 HB THR A 62 -3.698 -6.445 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.416 -7.760 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.546 -5.998 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.938 -6.302 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.755 -7.575 -9.998 1.00 0.00 H new ATOM 992 N LYS A 63 -1.688 -6.860 -5.692 1.00 0.00 N ATOM 993 CA LYS A 63 -0.573 -6.141 -5.005 1.00 0.00 C ATOM 994 C LYS A 63 0.155 -7.034 -3.981 1.00 0.00 C ATOM 995 O LYS A 63 1.181 -6.644 -3.455 1.00 0.00 O ATOM 996 CB LYS A 63 -1.129 -4.901 -4.306 1.00 0.00 C ATOM 997 CG LYS A 63 -1.111 -3.723 -5.284 1.00 0.00 C ATOM 998 CD LYS A 63 -0.352 -2.550 -4.662 1.00 0.00 C ATOM 999 CE LYS A 63 -0.479 -1.318 -5.562 1.00 0.00 C ATOM 1000 NZ LYS A 63 0.875 -0.756 -5.833 1.00 0.00 N ATOM 0 H LYS A 63 -2.614 -6.689 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 63 0.157 -5.856 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.146 -5.088 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.532 -4.667 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.637 -4.021 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.131 -3.422 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.750 -2.331 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.698 -2.811 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.966 -1.588 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.106 -0.567 -5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.780 0.177 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.395 -0.657 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.395 -1.395 -6.467 1.00 0.00 H new ATOM 1014 N LYS A 64 -0.340 -8.223 -3.694 1.00 0.00 N ATOM 1015 CA LYS A 64 0.361 -9.104 -2.710 1.00 0.00 C ATOM 1016 C LYS A 64 1.651 -9.642 -3.337 1.00 0.00 C ATOM 1017 O LYS A 64 2.511 -10.150 -2.641 1.00 0.00 O ATOM 1018 CB LYS A 64 -0.547 -10.272 -2.296 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.788 -11.200 -3.489 1.00 0.00 C ATOM 1020 CD LYS A 64 0.411 -12.126 -3.675 1.00 0.00 C ATOM 1021 CE LYS A 64 -0.056 -13.584 -3.701 1.00 0.00 C ATOM 1022 NZ LYS A 64 1.069 -14.475 -3.293 1.00 0.00 N ATOM 0 H LYS A 64 -1.192 -8.613 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 64 0.604 -8.522 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.087 -10.829 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.498 -9.890 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.691 -11.788 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.948 -10.612 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.928 -11.884 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.125 -11.978 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.902 -13.718 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.399 -13.849 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.752 -15.465 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.864 -14.354 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.377 -14.227 -2.331 1.00 0.00 H new ATOM 1036 N MET A 65 1.796 -9.529 -4.643 1.00 0.00 N ATOM 1037 CA MET A 65 3.037 -10.021 -5.309 1.00 0.00 C ATOM 1038 C MET A 65 4.254 -9.357 -4.650 1.00 0.00 C ATOM 1039 O MET A 65 5.312 -9.948 -4.554 1.00 0.00 O ATOM 1040 CB MET A 65 2.999 -9.671 -6.799 1.00 0.00 C ATOM 1041 CG MET A 65 3.386 -10.897 -7.634 1.00 0.00 C ATOM 1042 SD MET A 65 4.888 -11.651 -6.959 1.00 0.00 S ATOM 1043 CE MET A 65 4.474 -13.371 -7.342 1.00 0.00 C ATOM 0 H MET A 65 1.105 -9.116 -5.269 1.00 0.00 H new ATOM 0 HA MET A 65 3.107 -11.104 -5.203 1.00 0.00 H new ATOM 0 HB2 MET A 65 2.001 -9.332 -7.076 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.684 -8.849 -7.006 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.572 -11.622 -7.631 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.549 -10.605 -8.671 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.280 -14.023 -7.005 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.549 -13.645 -6.834 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.343 -13.483 -8.418 1.00 0.00 H new ATOM 1053 N LEU A 66 4.100 -8.136 -4.178 1.00 0.00 N ATOM 1054 CA LEU A 66 5.233 -7.432 -3.505 1.00 0.00 C ATOM 1055 C LEU A 66 5.314 -7.853 -2.026 1.00 0.00 C ATOM 1056 O LEU A 66 6.307 -7.606 -1.369 1.00 0.00 O ATOM 1057 CB LEU A 66 5.038 -5.906 -3.618 1.00 0.00 C ATOM 1058 CG LEU A 66 4.120 -5.385 -2.498 1.00 0.00 C ATOM 1059 CD1 LEU A 66 4.958 -4.663 -1.438 1.00 0.00 C ATOM 1060 CD2 LEU A 66 3.099 -4.403 -3.081 1.00 0.00 C ATOM 0 H LEU A 66 3.234 -7.601 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 66 6.167 -7.707 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.005 -5.407 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.608 -5.661 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 66 3.600 -6.229 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.305 -4.295 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.686 -5.356 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.480 -3.823 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.451 -4.036 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.622 -3.563 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.496 -4.910 -3.835 1.00 0.00 H new ATOM 1072 N GLU A 67 4.286 -8.495 -1.500 1.00 0.00 N ATOM 1073 CA GLU A 67 4.313 -8.936 -0.076 1.00 0.00 C ATOM 1074 C GLU A 67 5.106 -10.239 0.034 1.00 0.00 C ATOM 1075 O GLU A 67 5.780 -10.489 1.016 1.00 0.00 O ATOM 1076 CB GLU A 67 2.878 -9.180 0.395 1.00 0.00 C ATOM 1077 CG GLU A 67 2.382 -7.971 1.189 1.00 0.00 C ATOM 1078 CD GLU A 67 2.426 -6.703 0.327 1.00 0.00 C ATOM 1079 OE1 GLU A 67 1.726 -6.659 -0.672 1.00 0.00 O ATOM 1080 OE2 GLU A 67 3.150 -5.791 0.691 1.00 0.00 O ATOM 0 H GLU A 67 3.431 -8.728 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 67 4.782 -8.169 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.229 -9.355 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.836 -10.076 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.363 -8.148 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.999 -7.835 2.077 1.00 0.00 H new ATOM 1087 N ASN A 68 5.012 -11.070 -0.972 1.00 0.00 N ATOM 1088 CA ASN A 68 5.735 -12.378 -0.962 1.00 0.00 C ATOM 1089 C ASN A 68 6.997 -12.317 -1.851 1.00 0.00 C ATOM 1090 O ASN A 68 7.809 -13.225 -1.832 1.00 0.00 O ATOM 1091 CB ASN A 68 4.783 -13.472 -1.466 1.00 0.00 C ATOM 1092 CG ASN A 68 4.669 -13.422 -2.996 1.00 0.00 C ATOM 1093 OD1 ASN A 68 4.030 -12.438 -3.577 1.00 0.00 O flip ATOM 1094 ND2 ASN A 68 5.171 -14.296 -3.675 1.00 0.00 N flip ATOM 0 H ASN A 68 4.458 -10.896 -1.811 1.00 0.00 H new ATOM 0 HA ASN A 68 6.056 -12.604 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.147 -14.451 -1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.798 -13.340 -1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.670 -15.065 -3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.093 -14.260 -4.691 1.00 0.00 H new ATOM 1101 N ALA A 69 7.169 -11.264 -2.624 1.00 0.00 N ATOM 1102 CA ALA A 69 8.376 -11.153 -3.508 1.00 0.00 C ATOM 1103 C ALA A 69 9.595 -10.706 -2.695 1.00 0.00 C ATOM 1104 O ALA A 69 9.477 -10.203 -1.590 1.00 0.00 O ATOM 1105 CB ALA A 69 8.108 -10.132 -4.614 1.00 0.00 C ATOM 0 H ALA A 69 6.523 -10.477 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 69 8.579 -12.130 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.985 -10.052 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.253 -10.455 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.895 -9.160 -4.168 1.00 0.00 H new ATOM 1111 N LYS A 70 10.767 -10.879 -3.256 1.00 0.00 N ATOM 1112 CA LYS A 70 12.024 -10.467 -2.561 1.00 0.00 C ATOM 1113 C LYS A 70 12.664 -9.330 -3.359 1.00 0.00 C ATOM 1114 O LYS A 70 13.073 -8.323 -2.807 1.00 0.00 O ATOM 1115 CB LYS A 70 12.986 -11.657 -2.488 1.00 0.00 C ATOM 1116 CG LYS A 70 14.085 -11.370 -1.460 1.00 0.00 C ATOM 1117 CD LYS A 70 15.370 -10.957 -2.182 1.00 0.00 C ATOM 1118 CE LYS A 70 16.179 -10.009 -1.292 1.00 0.00 C ATOM 1119 NZ LYS A 70 15.936 -8.598 -1.714 1.00 0.00 N ATOM 0 H LYS A 70 10.906 -11.293 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 70 11.803 -10.133 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.442 -12.560 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.429 -11.839 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.766 -10.577 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.267 -12.255 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.963 -11.839 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.128 -10.468 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.894 -10.141 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.241 -10.243 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.028 -7.969 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.633 -8.327 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.978 -8.514 -2.109 1.00 0.00 H new ATOM 1133 N LYS A 71 12.721 -9.479 -4.661 1.00 0.00 N ATOM 1134 CA LYS A 71 13.296 -8.408 -5.529 1.00 0.00 C ATOM 1135 C LYS A 71 12.149 -7.506 -5.970 1.00 0.00 C ATOM 1136 O LYS A 71 11.133 -7.987 -6.438 1.00 0.00 O ATOM 1137 CB LYS A 71 13.953 -9.035 -6.764 1.00 0.00 C ATOM 1138 CG LYS A 71 15.365 -9.511 -6.410 1.00 0.00 C ATOM 1139 CD LYS A 71 16.338 -8.328 -6.461 1.00 0.00 C ATOM 1140 CE LYS A 71 17.053 -8.309 -7.814 1.00 0.00 C ATOM 1141 NZ LYS A 71 18.148 -7.296 -7.787 1.00 0.00 N ATOM 0 H LYS A 71 12.391 -10.304 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 71 14.049 -7.840 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.355 -9.873 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.996 -8.307 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.370 -9.956 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.683 -10.286 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.798 -7.393 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.067 -8.408 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.462 -9.295 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.345 -8.072 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.633 -7.284 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.747 -6.356 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.829 -7.541 -7.040 1.00 0.00 H new ATOM 1155 N ILE A 72 12.283 -6.209 -5.820 1.00 0.00 N ATOM 1156 CA ILE A 72 11.177 -5.303 -6.220 1.00 0.00 C ATOM 1157 C ILE A 72 11.742 -4.158 -7.051 1.00 0.00 C ATOM 1158 O ILE A 72 12.940 -3.960 -7.133 1.00 0.00 O ATOM 1159 CB ILE A 72 10.490 -4.738 -4.961 1.00 0.00 C ATOM 1160 CG1 ILE A 72 10.252 -5.862 -3.942 1.00 0.00 C ATOM 1161 CG2 ILE A 72 9.145 -4.108 -5.337 1.00 0.00 C ATOM 1162 CD1 ILE A 72 9.898 -5.261 -2.580 1.00 0.00 C ATOM 0 H ILE A 72 13.109 -5.747 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 72 10.446 -5.857 -6.810 1.00 0.00 H new ATOM 0 HB ILE A 72 11.138 -3.980 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.446 -6.511 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.145 -6.482 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.666 -3.711 -4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.308 -3.300 -6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.502 -4.864 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.730 -6.063 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.718 -4.631 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.993 -4.660 -2.671 1.00 0.00 H new ATOM 1174 N GLU A 73 10.879 -3.402 -7.657 1.00 0.00 N ATOM 1175 CA GLU A 73 11.322 -2.249 -8.471 1.00 0.00 C ATOM 1176 C GLU A 73 10.192 -1.221 -8.442 1.00 0.00 C ATOM 1177 O GLU A 73 9.466 -1.057 -9.404 1.00 0.00 O ATOM 1178 CB GLU A 73 11.605 -2.700 -9.910 1.00 0.00 C ATOM 1179 CG GLU A 73 13.100 -2.992 -10.075 1.00 0.00 C ATOM 1180 CD GLU A 73 13.318 -3.879 -11.305 1.00 0.00 C ATOM 1181 OE1 GLU A 73 13.361 -3.342 -12.400 1.00 0.00 O ATOM 1182 OE2 GLU A 73 13.440 -5.081 -11.130 1.00 0.00 O ATOM 0 H GLU A 73 9.869 -3.538 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 73 12.241 -1.818 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.023 -3.591 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.296 -1.925 -10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.653 -2.059 -10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.484 -3.488 -9.184 1.00 0.00 H new ATOM 1189 N VAL A 74 10.026 -0.552 -7.319 1.00 0.00 N ATOM 1190 CA VAL A 74 8.921 0.455 -7.195 1.00 0.00 C ATOM 1191 C VAL A 74 8.980 1.409 -8.382 1.00 0.00 C ATOM 1192 O VAL A 74 9.820 2.292 -8.450 1.00 0.00 O ATOM 1193 CB VAL A 74 9.004 1.281 -5.892 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.639 1.274 -5.210 1.00 0.00 C ATOM 1195 CG2 VAL A 74 10.039 0.714 -4.920 1.00 0.00 C ATOM 0 H VAL A 74 10.607 -0.661 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 74 7.982 -0.099 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 74 9.306 2.294 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.689 1.855 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.897 1.714 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.354 0.248 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.064 1.325 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.770 -0.309 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 74 11.022 0.721 -5.391 1.00 0.00 H new ATOM 1205 N GLU A 75 8.092 1.227 -9.319 1.00 0.00 N ATOM 1206 CA GLU A 75 8.068 2.103 -10.515 1.00 0.00 C ATOM 1207 C GLU A 75 7.170 3.304 -10.207 1.00 0.00 C ATOM 1208 O GLU A 75 5.964 3.244 -10.356 1.00 0.00 O ATOM 1209 CB GLU A 75 7.524 1.309 -11.708 1.00 0.00 C ATOM 1210 CG GLU A 75 8.357 0.034 -11.913 1.00 0.00 C ATOM 1211 CD GLU A 75 8.405 -0.333 -13.403 1.00 0.00 C ATOM 1212 OE1 GLU A 75 7.350 -0.437 -14.009 1.00 0.00 O ATOM 1213 OE2 GLU A 75 9.500 -0.515 -13.911 1.00 0.00 O ATOM 0 H GLU A 75 7.376 0.500 -9.304 1.00 0.00 H new ATOM 0 HA GLU A 75 9.070 2.454 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.480 1.048 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.555 1.922 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.368 0.187 -11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.924 -0.788 -11.342 1.00 0.00 H new ATOM 1220 N PHE A 76 7.760 4.390 -9.760 1.00 0.00 N ATOM 1221 CA PHE A 76 6.956 5.608 -9.419 1.00 0.00 C ATOM 1222 C PHE A 76 7.636 6.857 -10.005 1.00 0.00 C ATOM 1223 O PHE A 76 7.910 7.823 -9.314 1.00 0.00 O ATOM 1224 CB PHE A 76 6.782 5.716 -7.884 1.00 0.00 C ATOM 1225 CG PHE A 76 8.055 6.177 -7.190 1.00 0.00 C ATOM 1226 CD1 PHE A 76 9.221 5.409 -7.274 1.00 0.00 C ATOM 1227 CD2 PHE A 76 8.059 7.369 -6.446 1.00 0.00 C ATOM 1228 CE1 PHE A 76 10.387 5.827 -6.625 1.00 0.00 C ATOM 1229 CE2 PHE A 76 9.226 7.784 -5.796 1.00 0.00 C ATOM 1230 CZ PHE A 76 10.390 7.014 -5.885 1.00 0.00 C ATOM 0 H PHE A 76 8.765 4.484 -9.617 1.00 0.00 H new ATOM 0 HA PHE A 76 5.962 5.529 -9.858 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.975 6.414 -7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.484 4.746 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.221 4.490 -7.842 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.161 7.965 -6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.286 5.233 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.228 8.700 -5.225 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.290 7.336 -5.383 1.00 0.00 H new ATOM 1240 N ASP A 77 7.904 6.830 -11.293 1.00 0.00 N ATOM 1241 CA ASP A 77 8.571 7.982 -11.976 1.00 0.00 C ATOM 1242 C ASP A 77 9.985 8.170 -11.408 1.00 0.00 C ATOM 1243 O ASP A 77 10.347 7.570 -10.409 1.00 0.00 O ATOM 1244 CB ASP A 77 7.741 9.260 -11.757 1.00 0.00 C ATOM 1245 CG ASP A 77 8.182 10.354 -12.739 1.00 0.00 C ATOM 1246 OD1 ASP A 77 7.957 10.188 -13.927 1.00 0.00 O ATOM 1247 OD2 ASP A 77 8.736 11.341 -12.283 1.00 0.00 O ATOM 0 H ASP A 77 7.684 6.045 -11.906 1.00 0.00 H new ATOM 0 HA ASP A 77 8.642 7.781 -13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.682 9.043 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.863 9.610 -10.732 1.00 0.00 H new ATOM 1252 N LYS A 78 10.785 9.004 -12.031 1.00 0.00 N ATOM 1253 CA LYS A 78 12.173 9.247 -11.517 1.00 0.00 C ATOM 1254 C LYS A 78 12.100 9.676 -10.040 1.00 0.00 C ATOM 1255 O LYS A 78 13.030 9.476 -9.281 1.00 0.00 O ATOM 1256 CB LYS A 78 12.853 10.347 -12.346 1.00 0.00 C ATOM 1257 CG LYS A 78 11.958 11.590 -12.411 1.00 0.00 C ATOM 1258 CD LYS A 78 12.813 12.848 -12.251 1.00 0.00 C ATOM 1259 CE LYS A 78 13.103 13.086 -10.767 1.00 0.00 C ATOM 1260 NZ LYS A 78 13.614 14.473 -10.573 1.00 0.00 N ATOM 0 H LYS A 78 10.538 9.526 -12.872 1.00 0.00 H new ATOM 0 HA LYS A 78 12.757 8.330 -11.602 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.815 10.605 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.054 9.982 -13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.426 11.618 -13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.204 11.549 -11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.747 12.737 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.294 13.709 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.197 12.936 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.837 12.364 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.810 14.633 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.489 14.600 -11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.900 15.155 -10.899 1.00 0.00 H new ATOM 1274 N GLY A 79 10.989 10.254 -9.637 1.00 0.00 N ATOM 1275 CA GLY A 79 10.816 10.692 -8.223 1.00 0.00 C ATOM 1276 C GLY A 79 9.484 11.436 -8.098 1.00 0.00 C ATOM 1277 O GLY A 79 9.374 12.583 -8.493 1.00 0.00 O ATOM 0 H GLY A 79 10.188 10.440 -10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.831 9.830 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.640 11.340 -7.925 1.00 0.00 H new ATOM 1281 N GLN A 80 8.472 10.797 -7.550 1.00 0.00 N ATOM 1282 CA GLN A 80 7.153 11.471 -7.397 1.00 0.00 C ATOM 1283 C GLN A 80 7.242 12.462 -6.238 1.00 0.00 C ATOM 1284 O GLN A 80 8.324 12.815 -5.797 1.00 0.00 O ATOM 1285 CB GLN A 80 6.070 10.423 -7.123 1.00 0.00 C ATOM 1286 CG GLN A 80 5.516 9.910 -8.454 1.00 0.00 C ATOM 1287 CD GLN A 80 4.361 8.938 -8.200 1.00 0.00 C ATOM 1288 OE1 GLN A 80 4.474 8.031 -7.268 1.00 0.00 O flip ATOM 1289 NE2 GLN A 80 3.343 9.006 -8.859 1.00 0.00 N flip ATOM 0 H GLN A 80 8.510 9.838 -7.204 1.00 0.00 H new ATOM 0 HA GLN A 80 6.894 12.005 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.485 9.597 -6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.269 10.858 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.171 10.747 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.305 9.411 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.253 9.714 -9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.578 8.355 -8.684 1.00 0.00 H new ATOM 1298 N ARG A 81 6.127 12.936 -5.749 1.00 0.00 N ATOM 1299 CA ARG A 81 6.182 13.918 -4.637 1.00 0.00 C ATOM 1300 C ARG A 81 5.086 13.650 -3.595 1.00 0.00 C ATOM 1301 O ARG A 81 4.786 14.499 -2.774 1.00 0.00 O ATOM 1302 CB ARG A 81 6.047 15.316 -5.236 1.00 0.00 C ATOM 1303 CG ARG A 81 4.587 15.604 -5.616 1.00 0.00 C ATOM 1304 CD ARG A 81 4.229 17.043 -5.231 1.00 0.00 C ATOM 1305 NE ARG A 81 4.016 17.132 -3.756 1.00 0.00 N ATOM 1306 CZ ARG A 81 4.006 18.297 -3.166 1.00 0.00 C ATOM 1307 NH1 ARG A 81 5.128 18.836 -2.764 1.00 0.00 N ATOM 1308 NH2 ARG A 81 2.873 18.924 -2.977 1.00 0.00 N ATOM 0 H ARG A 81 5.191 12.687 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 81 7.133 13.828 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.395 16.060 -4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.682 15.402 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.444 15.457 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.924 14.905 -5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.028 17.720 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.328 17.357 -5.758 1.00 0.00 H new ATOM 0 HE ARG A 81 3.878 16.282 -3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.011 18.346 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.120 19.746 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.999 18.503 -3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.864 19.834 -2.516 1.00 0.00 H new ATOM 1322 N THR A 82 4.513 12.467 -3.591 1.00 0.00 N ATOM 1323 CA THR A 82 3.474 12.146 -2.578 1.00 0.00 C ATOM 1324 C THR A 82 4.134 11.311 -1.484 1.00 0.00 C ATOM 1325 O THR A 82 4.810 10.333 -1.752 1.00 0.00 O ATOM 1326 CB THR A 82 2.313 11.360 -3.198 1.00 0.00 C ATOM 1327 OG1 THR A 82 2.664 10.879 -4.495 1.00 0.00 O ATOM 1328 CG2 THR A 82 1.081 12.263 -3.300 1.00 0.00 C ATOM 0 H THR A 82 4.725 11.716 -4.248 1.00 0.00 H new ATOM 0 HA THR A 82 3.064 13.071 -2.173 1.00 0.00 H new ATOM 0 HB THR A 82 2.091 10.505 -2.560 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.968 9.950 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.256 11.704 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.797 12.605 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.312 13.124 -3.927 1.00 0.00 H new ATOM 1336 N ASP A 83 3.960 11.709 -0.260 1.00 0.00 N ATOM 1337 CA ASP A 83 4.582 10.967 0.878 1.00 0.00 C ATOM 1338 C ASP A 83 3.973 11.451 2.202 1.00 0.00 C ATOM 1339 O ASP A 83 4.665 11.790 3.148 1.00 0.00 O ATOM 1340 CB ASP A 83 6.096 11.200 0.841 1.00 0.00 C ATOM 1341 CG ASP A 83 6.799 10.289 1.858 1.00 0.00 C ATOM 1342 OD1 ASP A 83 6.711 9.079 1.705 1.00 0.00 O ATOM 1343 OD2 ASP A 83 7.418 10.817 2.767 1.00 0.00 O ATOM 0 H ASP A 83 3.409 12.524 0.009 1.00 0.00 H new ATOM 0 HA ASP A 83 4.388 9.898 0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.477 11.001 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.316 12.244 1.064 1.00 0.00 H new ATOM 1348 N LYS A 84 2.666 11.470 2.259 1.00 0.00 N ATOM 1349 CA LYS A 84 1.938 11.906 3.488 1.00 0.00 C ATOM 1350 C LYS A 84 0.514 11.355 3.401 1.00 0.00 C ATOM 1351 O LYS A 84 0.046 10.659 4.283 1.00 0.00 O ATOM 1352 CB LYS A 84 1.899 13.439 3.548 1.00 0.00 C ATOM 1353 CG LYS A 84 2.502 13.920 4.871 1.00 0.00 C ATOM 1354 CD LYS A 84 1.379 14.311 5.838 1.00 0.00 C ATOM 1355 CE LYS A 84 1.241 13.241 6.924 1.00 0.00 C ATOM 1356 NZ LYS A 84 2.179 13.541 8.046 1.00 0.00 N ATOM 0 H LYS A 84 2.059 11.195 1.487 1.00 0.00 H new ATOM 0 HA LYS A 84 2.438 11.537 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.455 13.859 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.871 13.790 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.115 13.133 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.157 14.773 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.596 15.278 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.439 14.417 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.215 13.212 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.458 12.257 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.083 12.813 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.156 13.547 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.952 14.473 8.449 1.00 0.00 H new ATOM 1370 N TYR A 85 -0.155 11.652 2.315 1.00 0.00 N ATOM 1371 CA TYR A 85 -1.542 11.152 2.090 1.00 0.00 C ATOM 1372 C TYR A 85 -1.553 10.263 0.833 1.00 0.00 C ATOM 1373 O TYR A 85 -2.299 9.304 0.748 1.00 0.00 O ATOM 1374 CB TYR A 85 -2.494 12.345 1.890 1.00 0.00 C ATOM 1375 CG TYR A 85 -2.205 13.015 0.561 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -1.203 13.988 0.468 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -2.932 12.649 -0.580 1.00 0.00 C ATOM 1378 CE1 TYR A 85 -0.927 14.594 -0.762 1.00 0.00 C ATOM 1379 CE2 TYR A 85 -2.654 13.254 -1.811 1.00 0.00 C ATOM 1380 CZ TYR A 85 -1.653 14.227 -1.902 1.00 0.00 C ATOM 1381 OH TYR A 85 -1.378 14.824 -3.117 1.00 0.00 O ATOM 0 H TYR A 85 0.212 12.232 1.561 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.872 10.574 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.529 12.005 1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.371 13.061 2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.643 14.271 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.707 11.900 -0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.154 15.345 -0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.212 12.970 -2.691 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.971 14.455 -3.804 1.00 0.00 H new ATOM 1391 N GLY A 86 -0.730 10.592 -0.147 1.00 0.00 N ATOM 1392 CA GLY A 86 -0.681 9.800 -1.410 1.00 0.00 C ATOM 1393 C GLY A 86 0.556 8.891 -1.443 1.00 0.00 C ATOM 1394 O GLY A 86 0.610 7.968 -2.229 1.00 0.00 O ATOM 0 H GLY A 86 -0.088 11.384 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.583 9.195 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.664 10.475 -2.266 1.00 0.00 H new ATOM 1398 N ARG A 87 1.550 9.148 -0.612 1.00 0.00 N ATOM 1399 CA ARG A 87 2.798 8.308 -0.607 1.00 0.00 C ATOM 1400 C ARG A 87 3.211 7.961 -2.045 1.00 0.00 C ATOM 1401 O ARG A 87 3.136 8.788 -2.930 1.00 0.00 O ATOM 1402 CB ARG A 87 2.601 7.042 0.261 1.00 0.00 C ATOM 1403 CG ARG A 87 1.584 6.081 -0.366 1.00 0.00 C ATOM 1404 CD ARG A 87 0.193 6.415 0.157 1.00 0.00 C ATOM 1405 NE ARG A 87 -0.812 6.034 -0.876 1.00 0.00 N ATOM 1406 CZ ARG A 87 -2.087 6.135 -0.604 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -2.611 5.421 0.357 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -2.839 6.959 -1.285 1.00 0.00 N ATOM 0 H ARG A 87 1.547 9.910 0.067 1.00 0.00 H new ATOM 0 HA ARG A 87 3.610 8.881 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.556 6.532 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.264 7.331 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.607 6.166 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.840 5.050 -0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.001 5.879 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.119 7.479 0.381 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.507 5.697 -1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.025 4.784 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.606 5.501 0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.431 7.524 -2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.833 7.037 -1.072 1.00 0.00 H new ATOM 1422 N VAL A 88 3.658 6.769 -2.290 1.00 0.00 N ATOM 1423 CA VAL A 88 4.086 6.412 -3.670 1.00 0.00 C ATOM 1424 C VAL A 88 2.854 6.117 -4.532 1.00 0.00 C ATOM 1425 O VAL A 88 2.381 4.995 -4.606 1.00 0.00 O ATOM 1426 CB VAL A 88 4.979 5.187 -3.610 1.00 0.00 C ATOM 1427 CG1 VAL A 88 5.530 4.893 -5.007 1.00 0.00 C ATOM 1428 CG2 VAL A 88 6.150 5.453 -2.663 1.00 0.00 C ATOM 0 H VAL A 88 3.747 6.024 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 88 4.636 7.243 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 88 4.400 4.336 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.172 4.013 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.703 4.708 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.108 5.748 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.791 4.572 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.726 6.304 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.769 5.673 -1.666 1.00 0.00 H new ATOM 1438 N LEU A 89 2.334 7.131 -5.179 1.00 0.00 N ATOM 1439 CA LEU A 89 1.131 6.948 -6.048 1.00 0.00 C ATOM 1440 C LEU A 89 1.545 6.386 -7.411 1.00 0.00 C ATOM 1441 O LEU A 89 1.393 7.030 -8.436 1.00 0.00 O ATOM 1442 CB LEU A 89 0.435 8.294 -6.231 1.00 0.00 C ATOM 1443 CG LEU A 89 -0.176 8.724 -4.903 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -1.029 9.968 -5.123 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -1.043 7.586 -4.352 1.00 0.00 C ATOM 0 H LEU A 89 2.694 8.084 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 89 0.447 6.244 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.148 9.042 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.340 8.216 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 89 0.614 8.951 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.469 10.280 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.406 10.771 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.823 9.743 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.482 7.890 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.838 7.358 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.427 6.700 -4.200 1.00 0.00 H new ATOM 1457 N ALA A 90 2.066 5.187 -7.430 1.00 0.00 N ATOM 1458 CA ALA A 90 2.488 4.576 -8.718 1.00 0.00 C ATOM 1459 C ALA A 90 2.235 3.063 -8.669 1.00 0.00 C ATOM 1460 O ALA A 90 1.101 2.637 -8.661 1.00 0.00 O ATOM 1461 CB ALA A 90 3.966 4.880 -8.958 1.00 0.00 C ATOM 0 H ALA A 90 2.216 4.606 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 90 1.911 4.994 -9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.281 4.434 -9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.113 5.959 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.560 4.464 -8.144 1.00 0.00 H new ATOM 1467 N TYR A 91 3.264 2.246 -8.637 1.00 0.00 N ATOM 1468 CA TYR A 91 3.037 0.766 -8.592 1.00 0.00 C ATOM 1469 C TYR A 91 4.282 0.017 -8.127 1.00 0.00 C ATOM 1470 O TYR A 91 5.396 0.504 -8.220 1.00 0.00 O ATOM 1471 CB TYR A 91 2.606 0.267 -9.973 1.00 0.00 C ATOM 1472 CG TYR A 91 1.112 0.061 -9.959 1.00 0.00 C ATOM 1473 CD1 TYR A 91 0.552 -0.867 -9.075 1.00 0.00 C ATOM 1474 CD2 TYR A 91 0.286 0.803 -10.809 1.00 0.00 C ATOM 1475 CE1 TYR A 91 -0.828 -1.059 -9.044 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -1.099 0.609 -10.779 1.00 0.00 C ATOM 1477 CZ TYR A 91 -1.656 -0.323 -9.895 1.00 0.00 C ATOM 1478 OH TYR A 91 -3.019 -0.529 -9.873 1.00 0.00 O ATOM 0 H TYR A 91 4.241 2.537 -8.640 1.00 0.00 H new ATOM 0 HA TYR A 91 2.246 0.569 -7.868 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.882 0.990 -10.741 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.115 -0.666 -10.215 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.190 -1.436 -8.415 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.717 1.525 -11.487 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.258 -1.777 -8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.738 1.178 -11.438 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.235 -1.219 -9.211 1.00 0.00 H new ATOM 1488 N ILE A 92 4.082 -1.184 -7.638 1.00 0.00 N ATOM 1489 CA ILE A 92 5.226 -2.019 -7.167 1.00 0.00 C ATOM 1490 C ILE A 92 5.531 -3.049 -8.247 1.00 0.00 C ATOM 1491 O ILE A 92 4.636 -3.517 -8.928 1.00 0.00 O ATOM 1492 CB ILE A 92 4.858 -2.746 -5.867 1.00 0.00 C ATOM 1493 CG1 ILE A 92 4.242 -1.758 -4.868 1.00 0.00 C ATOM 1494 CG2 ILE A 92 6.120 -3.367 -5.262 1.00 0.00 C ATOM 1495 CD1 ILE A 92 5.302 -0.762 -4.399 1.00 0.00 C ATOM 0 H ILE A 92 3.166 -1.623 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 92 6.092 -1.385 -6.977 1.00 0.00 H new ATOM 0 HB ILE A 92 4.131 -3.528 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.412 -1.226 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.835 -2.298 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.864 -3.885 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.551 -4.077 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.845 -2.582 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.857 -0.064 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.118 -1.300 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.688 -0.211 -5.257 1.00 0.00 H new ATOM 1507 N TYR A 93 6.778 -3.386 -8.435 1.00 0.00 N ATOM 1508 CA TYR A 93 7.123 -4.370 -9.499 1.00 0.00 C ATOM 1509 C TYR A 93 8.095 -5.430 -8.963 1.00 0.00 C ATOM 1510 O TYR A 93 9.268 -5.446 -9.298 1.00 0.00 O ATOM 1511 CB TYR A 93 7.738 -3.614 -10.673 1.00 0.00 C ATOM 1512 CG TYR A 93 6.640 -2.879 -11.403 1.00 0.00 C ATOM 1513 CD1 TYR A 93 6.030 -1.751 -10.832 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.230 -3.329 -12.655 1.00 0.00 C ATOM 1515 CE1 TYR A 93 5.021 -1.085 -11.520 1.00 0.00 C ATOM 1516 CE2 TYR A 93 5.221 -2.662 -13.346 1.00 0.00 C ATOM 1517 CZ TYR A 93 4.612 -1.538 -12.780 1.00 0.00 C ATOM 1518 OH TYR A 93 3.611 -0.878 -13.463 1.00 0.00 O ATOM 0 H TYR A 93 7.568 -3.025 -7.901 1.00 0.00 H new ATOM 0 HA TYR A 93 6.223 -4.890 -9.828 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.491 -2.911 -10.317 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.242 -4.307 -11.347 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.344 -1.401 -9.860 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.696 -4.199 -13.093 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.552 -0.217 -11.081 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.909 -3.013 -14.319 1.00 0.00 H new ATOM 0 HH TYR A 93 3.452 -1.323 -14.321 1.00 0.00 H new ATOM 1528 N ALA A 94 7.605 -6.318 -8.125 1.00 0.00 N ATOM 1529 CA ALA A 94 8.460 -7.378 -7.556 1.00 0.00 C ATOM 1530 C ALA A 94 8.008 -8.768 -8.042 1.00 0.00 C ATOM 1531 O ALA A 94 6.866 -9.159 -7.876 1.00 0.00 O ATOM 1532 CB ALA A 94 8.364 -7.327 -6.032 1.00 0.00 C ATOM 0 H ALA A 94 6.633 -6.341 -7.816 1.00 0.00 H new ATOM 0 HA ALA A 94 9.487 -7.212 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.992 -8.107 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.701 -6.353 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.330 -7.485 -5.727 1.00 0.00 H new ATOM 1538 N ASP A 95 8.926 -9.518 -8.606 1.00 0.00 N ATOM 1539 CA ASP A 95 8.638 -10.914 -9.095 1.00 0.00 C ATOM 1540 C ASP A 95 7.349 -10.985 -9.945 1.00 0.00 C ATOM 1541 O ASP A 95 6.316 -11.442 -9.488 1.00 0.00 O ATOM 1542 CB ASP A 95 8.511 -11.850 -7.882 1.00 0.00 C ATOM 1543 CG ASP A 95 8.644 -13.309 -8.334 1.00 0.00 C ATOM 1544 OD1 ASP A 95 9.768 -13.761 -8.490 1.00 0.00 O ATOM 1545 OD2 ASP A 95 7.621 -13.949 -8.515 1.00 0.00 O ATOM 0 H ASP A 95 9.889 -9.216 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 95 9.463 -11.223 -9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.282 -11.616 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.549 -11.698 -7.393 1.00 0.00 H new ATOM 1550 N GLY A 96 7.412 -10.548 -11.185 1.00 0.00 N ATOM 1551 CA GLY A 96 6.209 -10.595 -12.082 1.00 0.00 C ATOM 1552 C GLY A 96 5.074 -9.833 -11.442 1.00 0.00 C ATOM 1553 O GLY A 96 3.921 -10.207 -11.565 1.00 0.00 O ATOM 0 H GLY A 96 8.251 -10.159 -11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.449 -10.163 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.913 -11.629 -12.258 1.00 0.00 H new ATOM 1557 N LYS A 97 5.385 -8.764 -10.767 1.00 0.00 N ATOM 1558 CA LYS A 97 4.319 -7.977 -10.132 1.00 0.00 C ATOM 1559 C LYS A 97 3.630 -7.165 -11.226 1.00 0.00 C ATOM 1560 O LYS A 97 2.746 -7.670 -11.895 1.00 0.00 O ATOM 1561 CB LYS A 97 4.916 -7.080 -9.044 1.00 0.00 C ATOM 1562 CG LYS A 97 3.888 -6.059 -8.534 1.00 0.00 C ATOM 1563 CD LYS A 97 2.653 -6.766 -7.978 1.00 0.00 C ATOM 1564 CE LYS A 97 2.394 -6.274 -6.553 1.00 0.00 C ATOM 1565 NZ LYS A 97 1.932 -4.855 -6.593 1.00 0.00 N ATOM 0 H LYS A 97 6.332 -8.409 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 97 3.585 -8.621 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.264 -7.695 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.786 -6.556 -9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.338 -5.439 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.597 -5.393 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.788 -6.563 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.804 -7.845 -7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.642 -6.899 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.304 -6.355 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.788 -4.509 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.649 -4.270 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.036 -4.796 -7.118 1.00 0.00 H new ATOM 1579 N MET A 98 4.001 -5.909 -11.409 1.00 0.00 N ATOM 1580 CA MET A 98 3.333 -5.069 -12.443 1.00 0.00 C ATOM 1581 C MET A 98 1.828 -5.090 -12.167 1.00 0.00 C ATOM 1582 O MET A 98 1.028 -4.738 -13.016 1.00 0.00 O ATOM 1583 CB MET A 98 3.612 -5.630 -13.848 1.00 0.00 C ATOM 1584 CG MET A 98 5.097 -5.980 -13.995 1.00 0.00 C ATOM 1585 SD MET A 98 5.263 -7.732 -14.423 1.00 0.00 S ATOM 1586 CE MET A 98 4.958 -7.567 -16.199 1.00 0.00 C ATOM 0 H MET A 98 4.738 -5.440 -10.882 1.00 0.00 H new ATOM 0 HA MET A 98 3.716 -4.049 -12.401 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.003 -6.518 -14.020 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.328 -4.897 -14.603 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.553 -5.361 -14.767 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.625 -5.770 -13.065 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.014 -8.548 -16.670 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.967 -7.143 -16.360 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.709 -6.910 -16.638 1.00 0.00 H new ATOM 1596 N VAL A 99 1.448 -5.518 -10.972 1.00 0.00 N ATOM 1597 CA VAL A 99 0.024 -5.601 -10.596 1.00 0.00 C ATOM 1598 C VAL A 99 -0.752 -6.367 -11.701 1.00 0.00 C ATOM 1599 O VAL A 99 -1.927 -6.145 -11.937 1.00 0.00 O ATOM 1600 CB VAL A 99 -0.459 -4.159 -10.375 1.00 0.00 C ATOM 1601 CG1 VAL A 99 -1.332 -3.692 -11.535 1.00 0.00 C ATOM 1602 CG2 VAL A 99 -1.245 -4.091 -9.065 1.00 0.00 C ATOM 0 H VAL A 99 2.095 -5.815 -10.241 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.145 -6.161 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 99 0.407 -3.500 -10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.661 -2.669 -11.354 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.758 -3.730 -12.461 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.202 -4.343 -11.620 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.591 -3.071 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.103 -4.761 -9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.602 -4.393 -8.239 1.00 0.00 H new ATOM 1612 N ASN A 100 -0.077 -7.283 -12.381 1.00 0.00 N ATOM 1613 CA ASN A 100 -0.734 -8.067 -13.478 1.00 0.00 C ATOM 1614 C ASN A 100 -1.729 -9.107 -12.922 1.00 0.00 C ATOM 1615 O ASN A 100 -2.493 -9.685 -13.674 1.00 0.00 O ATOM 1616 CB ASN A 100 0.346 -8.788 -14.292 1.00 0.00 C ATOM 1617 CG ASN A 100 0.608 -8.020 -15.591 1.00 0.00 C ATOM 1618 OD1 ASN A 100 1.433 -7.128 -15.628 1.00 0.00 O ATOM 1619 ND2 ASN A 100 -0.065 -8.330 -16.666 1.00 0.00 N ATOM 0 H ASN A 100 0.902 -7.516 -12.217 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.291 -7.371 -14.105 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.265 -8.863 -13.710 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.027 -9.806 -14.517 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.102 -7.824 -17.536 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.757 -9.078 -16.636 1.00 0.00 H new ATOM 1626 N GLU A 101 -1.731 -9.358 -11.628 1.00 0.00 N ATOM 1627 CA GLU A 101 -2.683 -10.368 -11.056 1.00 0.00 C ATOM 1628 C GLU A 101 -4.088 -9.757 -10.855 1.00 0.00 C ATOM 1629 O GLU A 101 -4.890 -10.282 -10.101 1.00 0.00 O ATOM 1630 CB GLU A 101 -2.141 -10.874 -9.712 1.00 0.00 C ATOM 1631 CG GLU A 101 -2.113 -12.407 -9.713 1.00 0.00 C ATOM 1632 CD GLU A 101 -2.884 -12.942 -8.502 1.00 0.00 C ATOM 1633 OE1 GLU A 101 -4.099 -13.031 -8.589 1.00 0.00 O ATOM 1634 OE2 GLU A 101 -2.248 -13.256 -7.509 1.00 0.00 O ATOM 0 H GLU A 101 -1.117 -8.909 -10.948 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.771 -11.198 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.138 -10.482 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.767 -10.512 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.555 -12.787 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.082 -12.761 -9.685 1.00 0.00 H new ATOM 1641 N ALA A 102 -4.397 -8.665 -11.524 1.00 0.00 N ATOM 1642 CA ALA A 102 -5.748 -8.035 -11.370 1.00 0.00 C ATOM 1643 C ALA A 102 -6.775 -8.789 -12.228 1.00 0.00 C ATOM 1644 O ALA A 102 -6.423 -9.511 -13.144 1.00 0.00 O ATOM 1645 CB ALA A 102 -5.683 -6.573 -11.821 1.00 0.00 C ATOM 0 H ALA A 102 -3.770 -8.185 -12.169 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.049 -8.083 -10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.665 -6.114 -11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.959 -6.035 -11.209 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.378 -6.528 -12.867 1.00 0.00 H new ATOM 1651 N LEU A 103 -8.044 -8.621 -11.933 1.00 0.00 N ATOM 1652 CA LEU A 103 -9.109 -9.320 -12.722 1.00 0.00 C ATOM 1653 C LEU A 103 -9.178 -8.734 -14.142 1.00 0.00 C ATOM 1654 O LEU A 103 -9.342 -7.529 -14.268 1.00 0.00 O ATOM 1655 CB LEU A 103 -10.464 -9.144 -12.024 1.00 0.00 C ATOM 1656 CG LEU A 103 -10.556 -10.101 -10.831 1.00 0.00 C ATOM 1657 CD1 LEU A 103 -11.039 -9.336 -9.595 1.00 0.00 C ATOM 1658 CD2 LEU A 103 -11.546 -11.224 -11.153 1.00 0.00 C ATOM 1659 OXT LEU A 103 -9.065 -9.505 -15.082 1.00 0.00 O ATOM 0 H LEU A 103 -8.388 -8.028 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.869 -10.381 -12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.580 -8.114 -11.687 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.274 -9.342 -12.726 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.573 -10.527 -10.633 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.104 -10.018 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.335 -8.536 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.022 -8.909 -9.793 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.612 -11.905 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.529 -10.797 -11.352 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.203 -11.771 -12.031 1.00 0.00 H new TER 1671 LEU A 103