USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 928 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 58 SER OG : rot 154:sc= 0.0938 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -3.97! C(o=-3.9!,f=-4.2!) USER MOD Set 2.1: A 84 HIS : no HE2:sc= -4.34! C(o=-7.4!,f=-6.5!) USER MOD Set 2.2: A 99 MET CE :methyl 148:sc= -3.09! (180deg=-5.33!) USER MOD Set 3.1: A 38 CYS SG : rot -136:sc= -1.66 USER MOD Set 3.2: A 42 SER OG : rot 43:sc= 0.217 USER MOD Set 4.1: A 30 HIS : no HD1:sc= -1.4! K(o=-1.4!,f=-0.44) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 162:sc= 0.0165 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.0767 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 14:sc= 1.19 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 51:sc= 0.228 USER MOD Single : A 13 THR OG1 : rot -23:sc= -0.0522! USER MOD Single : A 24 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.0099) USER MOD Single : A 29 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 32 HIS : no HD1:sc= -2.59 X(o=-2.6,f=-2.2) USER MOD Single : A 33 THR OG1 : rot 128:sc= -1.04 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.091) USER MOD Single : A 51 GLN : amide:sc= -0.566 K(o=-0.57,f=-4.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.164 (180deg=-0.384) USER MOD Single : A 65 MET CE :methyl -175:sc= -2.66! (180deg=-3.03!) USER MOD Single : A 70 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.031) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.968 X(o=-0.97,f=-0.7) USER MOD Single : A 76 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.2!) USER MOD Single : A 86 SER OG : rot 71:sc= 0.322 USER MOD Single : A 88 MET CE :methyl -153:sc= -0.212 (180deg=-2.12) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -45:sc= 0.954 USER MOD Single : A 97 GLN : amide:sc= -1.6! C(o=-1.6!,f=-4!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.12) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.822 2.518 11.741 1.00 0.00 N ATOM 2 CA GLY A 1 -33.879 2.420 10.640 1.00 0.00 C ATOM 3 C GLY A 1 -33.642 3.788 9.997 1.00 0.00 C ATOM 4 O GLY A 1 -34.485 4.678 10.094 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.302 2.552 12.641 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.389 3.383 11.636 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.450 1.689 11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.934 2.015 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.259 1.724 9.892 1.00 0.00 H new ATOM 8 N SER A 2 -32.489 3.913 9.356 1.00 0.00 N ATOM 9 CA SER A 2 -32.130 5.157 8.698 1.00 0.00 C ATOM 10 C SER A 2 -31.058 4.898 7.637 1.00 0.00 C ATOM 11 O SER A 2 -31.218 5.287 6.481 1.00 0.00 O ATOM 12 CB SER A 2 -31.636 6.193 9.710 1.00 0.00 C ATOM 13 OG SER A 2 -30.890 5.594 10.766 1.00 0.00 O ATOM 0 H SER A 2 -31.792 3.173 9.279 1.00 0.00 H new ATOM 0 HA SER A 2 -33.021 5.557 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.015 6.930 9.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.489 6.728 10.127 1.00 0.00 H new ATOM 0 HG SER A 2 -30.591 6.288 11.390 1.00 0.00 H new ATOM 19 N SER A 3 -29.990 4.243 8.068 1.00 0.00 N ATOM 20 CA SER A 3 -28.893 3.928 7.170 1.00 0.00 C ATOM 21 C SER A 3 -27.888 3.013 7.873 1.00 0.00 C ATOM 22 O SER A 3 -27.685 1.873 7.458 1.00 0.00 O ATOM 23 CB SER A 3 -28.199 5.200 6.680 1.00 0.00 C ATOM 24 OG SER A 3 -28.912 5.820 5.613 1.00 0.00 O ATOM 0 H SER A 3 -29.861 3.922 9.028 1.00 0.00 H new ATOM 0 HA SER A 3 -29.300 3.411 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.103 5.902 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.189 4.957 6.349 1.00 0.00 H new ATOM 0 HG SER A 3 -29.814 5.440 5.558 1.00 0.00 H new ATOM 30 N GLY A 4 -27.285 3.547 8.925 1.00 0.00 N ATOM 31 CA GLY A 4 -26.307 2.792 9.690 1.00 0.00 C ATOM 32 C GLY A 4 -25.021 3.599 9.882 1.00 0.00 C ATOM 33 O GLY A 4 -25.064 4.822 10.008 1.00 0.00 O ATOM 0 H GLY A 4 -27.455 4.493 9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.724 2.529 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.081 1.857 9.177 1.00 0.00 H new ATOM 37 N SER A 5 -23.907 2.882 9.899 1.00 0.00 N ATOM 38 CA SER A 5 -22.612 3.516 10.074 1.00 0.00 C ATOM 39 C SER A 5 -22.236 4.296 8.812 1.00 0.00 C ATOM 40 O SER A 5 -21.657 3.738 7.882 1.00 0.00 O ATOM 41 CB SER A 5 -21.532 2.482 10.399 1.00 0.00 C ATOM 42 OG SER A 5 -20.518 3.017 11.245 1.00 0.00 O ATOM 0 H SER A 5 -23.875 1.868 9.794 1.00 0.00 H new ATOM 0 HA SER A 5 -22.681 4.207 10.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.990 1.619 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.081 2.126 9.473 1.00 0.00 H new ATOM 0 HG SER A 5 -19.849 2.326 11.431 1.00 0.00 H new ATOM 48 N SER A 6 -22.582 5.575 8.822 1.00 0.00 N ATOM 49 CA SER A 6 -22.288 6.438 7.690 1.00 0.00 C ATOM 50 C SER A 6 -21.151 7.398 8.045 1.00 0.00 C ATOM 51 O SER A 6 -21.144 7.985 9.126 1.00 0.00 O ATOM 52 CB SER A 6 -23.529 7.222 7.258 1.00 0.00 C ATOM 53 OG SER A 6 -23.922 8.181 8.236 1.00 0.00 O ATOM 0 H SER A 6 -23.063 6.034 9.595 1.00 0.00 H new ATOM 0 HA SER A 6 -21.978 5.811 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.327 7.729 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.351 6.529 7.079 1.00 0.00 H new ATOM 0 HG SER A 6 -24.716 8.662 7.922 1.00 0.00 H new ATOM 59 N GLY A 7 -20.217 7.529 7.114 1.00 0.00 N ATOM 60 CA GLY A 7 -19.078 8.407 7.315 1.00 0.00 C ATOM 61 C GLY A 7 -17.785 7.603 7.470 1.00 0.00 C ATOM 62 O GLY A 7 -17.500 7.082 8.547 1.00 0.00 O ATOM 0 H GLY A 7 -20.226 7.041 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.987 9.089 6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.238 9.019 8.203 1.00 0.00 H new ATOM 66 N VAL A 8 -17.039 7.527 6.378 1.00 0.00 N ATOM 67 CA VAL A 8 -15.783 6.795 6.380 1.00 0.00 C ATOM 68 C VAL A 8 -14.619 7.788 6.395 1.00 0.00 C ATOM 69 O VAL A 8 -13.864 7.879 5.428 1.00 0.00 O ATOM 70 CB VAL A 8 -15.736 5.836 5.189 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.397 5.098 5.132 1.00 0.00 C ATOM 72 CG2 VAL A 8 -16.904 4.849 5.233 1.00 0.00 C ATOM 0 H VAL A 8 -17.279 7.960 5.486 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.698 6.182 7.278 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.832 6.428 4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.390 4.423 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.587 5.821 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.259 4.524 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.847 4.179 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.853 4.266 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.845 5.398 5.202 1.00 0.00 H new ATOM 82 N ILE A 9 -14.510 8.506 7.503 1.00 0.00 N ATOM 83 CA ILE A 9 -13.450 9.488 7.656 1.00 0.00 C ATOM 84 C ILE A 9 -13.667 10.626 6.657 1.00 0.00 C ATOM 85 O ILE A 9 -14.168 10.403 5.556 1.00 0.00 O ATOM 86 CB ILE A 9 -12.079 8.820 7.539 1.00 0.00 C ATOM 87 CG1 ILE A 9 -11.878 7.783 8.646 1.00 0.00 C ATOM 88 CG2 ILE A 9 -10.960 9.863 7.521 1.00 0.00 C ATOM 89 CD1 ILE A 9 -11.390 6.453 8.070 1.00 0.00 C ATOM 0 H ILE A 9 -15.138 8.427 8.303 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.480 9.928 8.653 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.039 8.288 6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.155 8.156 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.816 7.630 9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.996 9.361 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.097 10.529 6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.988 10.443 8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.255 5.734 8.878 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.126 6.071 7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.440 6.605 7.558 1.00 0.00 H new ATOM 101 N GLU A 10 -13.279 11.822 7.076 1.00 0.00 N ATOM 102 CA GLU A 10 -13.424 12.995 6.232 1.00 0.00 C ATOM 103 C GLU A 10 -12.175 13.186 5.369 1.00 0.00 C ATOM 104 O GLU A 10 -12.246 13.115 4.143 1.00 0.00 O ATOM 105 CB GLU A 10 -13.708 14.243 7.071 1.00 0.00 C ATOM 106 CG GLU A 10 -15.169 14.278 7.524 1.00 0.00 C ATOM 107 CD GLU A 10 -15.445 15.509 8.390 1.00 0.00 C ATOM 108 OE1 GLU A 10 -15.715 16.574 7.793 1.00 0.00 O ATOM 109 OE2 GLU A 10 -15.379 15.358 9.629 1.00 0.00 O ATOM 0 H GLU A 10 -12.864 12.003 7.990 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.277 12.840 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.053 14.257 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.483 15.136 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.824 14.288 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.401 13.374 8.087 1.00 0.00 H new ATOM 116 N SER A 11 -11.060 13.426 6.044 1.00 0.00 N ATOM 117 CA SER A 11 -9.797 13.628 5.355 1.00 0.00 C ATOM 118 C SER A 11 -8.659 13.744 6.371 1.00 0.00 C ATOM 119 O SER A 11 -8.289 14.848 6.770 1.00 0.00 O ATOM 120 CB SER A 11 -9.847 14.874 4.468 1.00 0.00 C ATOM 121 OG SER A 11 -10.334 16.012 5.174 1.00 0.00 O ATOM 0 H SER A 11 -11.005 13.485 7.061 1.00 0.00 H new ATOM 0 HA SER A 11 -9.615 12.766 4.714 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.849 15.086 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.486 14.681 3.607 1.00 0.00 H new ATOM 0 HG SER A 11 -9.838 16.113 6.013 1.00 0.00 H new ATOM 127 N GLU A 12 -8.136 12.591 6.760 1.00 0.00 N ATOM 128 CA GLU A 12 -7.048 12.550 7.722 1.00 0.00 C ATOM 129 C GLU A 12 -6.343 11.193 7.669 1.00 0.00 C ATOM 130 O GLU A 12 -6.975 10.154 7.852 1.00 0.00 O ATOM 131 CB GLU A 12 -7.553 12.850 9.135 1.00 0.00 C ATOM 132 CG GLU A 12 -8.509 11.758 9.619 1.00 0.00 C ATOM 133 CD GLU A 12 -9.678 12.360 10.402 1.00 0.00 C ATOM 134 OE1 GLU A 12 -10.608 12.863 9.736 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.614 12.303 11.649 1.00 0.00 O ATOM 0 H GLU A 12 -8.445 11.678 6.427 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.327 13.323 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.707 12.927 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.061 13.814 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.889 11.198 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.970 11.051 10.250 1.00 0.00 H new ATOM 142 N THR A 13 -5.044 11.246 7.416 1.00 0.00 N ATOM 143 CA THR A 13 -4.246 10.034 7.336 1.00 0.00 C ATOM 144 C THR A 13 -2.801 10.319 7.748 1.00 0.00 C ATOM 145 O THR A 13 -2.190 11.272 7.266 1.00 0.00 O ATOM 146 CB THR A 13 -4.376 9.476 5.918 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.781 9.348 5.722 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.851 8.044 5.802 1.00 0.00 C ATOM 0 H THR A 13 -4.523 12.110 7.264 1.00 0.00 H new ATOM 0 HA THR A 13 -4.605 9.276 8.033 1.00 0.00 H new ATOM 0 HB THR A 13 -3.834 10.119 5.224 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.229 9.288 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.967 7.696 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.796 8.020 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.415 7.394 6.471 1.00 0.00 H new ATOM 156 N LEU A 14 -2.295 9.475 8.635 1.00 0.00 N ATOM 157 CA LEU A 14 -0.932 9.624 9.118 1.00 0.00 C ATOM 158 C LEU A 14 -0.041 8.577 8.446 1.00 0.00 C ATOM 159 O LEU A 14 -0.523 7.530 8.016 1.00 0.00 O ATOM 160 CB LEU A 14 -0.896 9.572 10.646 1.00 0.00 C ATOM 161 CG LEU A 14 -1.884 10.489 11.372 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.351 9.859 12.686 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.285 11.881 11.584 1.00 0.00 C ATOM 0 H LEU A 14 -2.804 8.685 9.032 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.536 10.603 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.086 8.545 10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.112 9.824 10.975 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.765 10.611 10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.052 10.530 13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.843 8.909 12.479 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.491 9.689 13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.007 12.513 12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.378 11.800 12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.042 12.324 10.618 1.00 0.00 H new ATOM 175 N ILE A 15 1.243 8.897 8.376 1.00 0.00 N ATOM 176 CA ILE A 15 2.206 7.997 7.764 1.00 0.00 C ATOM 177 C ILE A 15 2.295 6.713 8.590 1.00 0.00 C ATOM 178 O ILE A 15 2.421 5.621 8.037 1.00 0.00 O ATOM 179 CB ILE A 15 3.551 8.701 7.574 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.577 7.760 6.940 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.053 9.290 8.894 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.804 8.534 6.452 1.00 0.00 C ATOM 0 H ILE A 15 1.639 9.767 8.733 1.00 0.00 H new ATOM 0 HA ILE A 15 1.878 7.711 6.765 1.00 0.00 H new ATOM 0 HB ILE A 15 3.407 9.533 6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.883 7.007 7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.121 7.229 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.011 9.785 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.329 10.014 9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.177 8.491 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.517 7.841 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.498 9.269 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.272 9.044 7.295 1.00 0.00 H new ATOM 194 N GLU A 16 2.225 6.885 9.902 1.00 0.00 N ATOM 195 CA GLU A 16 2.297 5.754 10.811 1.00 0.00 C ATOM 196 C GLU A 16 0.951 5.028 10.861 1.00 0.00 C ATOM 197 O GLU A 16 0.832 3.974 11.484 1.00 0.00 O ATOM 198 CB GLU A 16 2.732 6.199 12.208 1.00 0.00 C ATOM 199 CG GLU A 16 4.235 6.480 12.251 1.00 0.00 C ATOM 200 CD GLU A 16 5.001 5.286 12.823 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.989 4.231 12.153 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.580 5.455 13.917 1.00 0.00 O ATOM 0 H GLU A 16 2.119 7.792 10.357 1.00 0.00 H new ATOM 0 HA GLU A 16 3.049 5.060 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.183 7.095 12.495 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.482 5.425 12.934 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.596 6.700 11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.426 7.364 12.859 1.00 0.00 H new ATOM 209 N ASP A 17 -0.030 5.620 10.196 1.00 0.00 N ATOM 210 CA ASP A 17 -1.363 5.044 10.157 1.00 0.00 C ATOM 211 C ASP A 17 -1.494 4.157 8.916 1.00 0.00 C ATOM 212 O ASP A 17 -2.188 3.142 8.945 1.00 0.00 O ATOM 213 CB ASP A 17 -2.433 6.134 10.074 1.00 0.00 C ATOM 214 CG ASP A 17 -3.232 6.355 11.360 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.875 5.708 12.368 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.182 7.165 11.305 1.00 0.00 O ATOM 0 H ASP A 17 0.072 6.494 9.679 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.507 4.467 11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.953 7.073 9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.127 5.881 9.272 1.00 0.00 H new ATOM 221 N VAL A 18 -0.817 4.574 7.856 1.00 0.00 N ATOM 222 CA VAL A 18 -0.849 3.830 6.608 1.00 0.00 C ATOM 223 C VAL A 18 0.266 2.783 6.615 1.00 0.00 C ATOM 224 O VAL A 18 0.224 1.822 5.848 1.00 0.00 O ATOM 225 CB VAL A 18 -0.758 4.793 5.423 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.905 4.046 4.096 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.799 5.909 5.542 1.00 0.00 C ATOM 0 H VAL A 18 -0.243 5.417 7.836 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.794 3.297 6.505 1.00 0.00 H new ATOM 0 HB VAL A 18 0.230 5.253 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.837 4.754 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.111 3.305 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.873 3.546 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.713 6.580 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.798 5.474 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.628 6.469 6.461 1.00 0.00 H new ATOM 237 N LEU A 19 1.237 3.004 7.488 1.00 0.00 N ATOM 238 CA LEU A 19 2.362 2.092 7.604 1.00 0.00 C ATOM 239 C LEU A 19 2.028 1.006 8.629 1.00 0.00 C ATOM 240 O LEU A 19 2.338 -0.166 8.420 1.00 0.00 O ATOM 241 CB LEU A 19 3.646 2.861 7.920 1.00 0.00 C ATOM 242 CG LEU A 19 4.401 3.429 6.716 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.451 2.438 6.211 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.431 3.850 5.610 1.00 0.00 C ATOM 0 H LEU A 19 1.268 3.802 8.122 1.00 0.00 H new ATOM 0 HA LEU A 19 2.545 1.590 6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.397 3.685 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.318 2.198 8.466 1.00 0.00 H new ATOM 0 HG LEU A 19 4.932 4.325 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.973 2.866 5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.167 2.230 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.962 1.511 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.993 4.250 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.853 2.985 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.755 4.615 5.991 1.00 0.00 H new ATOM 256 N ARG A 20 1.401 1.434 9.715 1.00 0.00 N ATOM 257 CA ARG A 20 1.022 0.513 10.773 1.00 0.00 C ATOM 258 C ARG A 20 0.560 -0.818 10.177 1.00 0.00 C ATOM 259 O ARG A 20 1.060 -1.877 10.551 1.00 0.00 O ATOM 260 CB ARG A 20 -0.101 1.095 11.634 1.00 0.00 C ATOM 261 CG ARG A 20 0.282 1.082 13.115 1.00 0.00 C ATOM 262 CD ARG A 20 1.370 2.117 13.410 1.00 0.00 C ATOM 263 NE ARG A 20 2.255 1.628 14.490 1.00 0.00 N ATOM 264 CZ ARG A 20 2.985 2.425 15.283 1.00 0.00 C ATOM 265 NH1 ARG A 20 2.939 3.754 15.120 1.00 0.00 N ATOM 266 NH2 ARG A 20 3.760 1.893 16.238 1.00 0.00 N ATOM 0 H ARG A 20 1.146 2.407 9.885 1.00 0.00 H new ATOM 0 HA ARG A 20 1.898 0.350 11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.314 2.116 11.319 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.014 0.519 11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.598 1.291 13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.634 0.089 13.394 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.954 2.310 12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.914 3.063 13.703 1.00 0.00 H new ATOM 0 HE ARG A 20 2.313 0.621 14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.349 4.159 14.393 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.494 4.361 15.723 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.795 0.881 16.362 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.315 2.500 16.841 1.00 0.00 H new ATOM 280 N PRO A 21 -0.416 -0.718 9.234 1.00 0.00 N ATOM 281 CA PRO A 21 -0.951 -1.902 8.583 1.00 0.00 C ATOM 282 C PRO A 21 0.036 -2.454 7.553 1.00 0.00 C ATOM 283 O PRO A 21 0.403 -3.627 7.607 1.00 0.00 O ATOM 284 CB PRO A 21 -2.265 -1.451 7.965 1.00 0.00 C ATOM 285 CG PRO A 21 -2.192 0.066 7.894 1.00 0.00 C ATOM 286 CD PRO A 21 -1.033 0.519 8.766 1.00 0.00 C ATOM 0 HA PRO A 21 -1.115 -2.726 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.399 -1.883 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.112 -1.774 8.570 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.046 0.393 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.126 0.510 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.325 1.125 8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.380 1.129 9.600 1.00 0.00 H new ATOM 294 N LEU A 22 0.436 -1.584 6.638 1.00 0.00 N ATOM 295 CA LEU A 22 1.373 -1.970 5.597 1.00 0.00 C ATOM 296 C LEU A 22 2.515 -2.776 6.218 1.00 0.00 C ATOM 297 O LEU A 22 3.070 -3.669 5.578 1.00 0.00 O ATOM 298 CB LEU A 22 1.843 -0.741 4.816 1.00 0.00 C ATOM 299 CG LEU A 22 1.045 -0.402 3.555 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.414 0.986 3.028 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.220 -1.486 2.488 1.00 0.00 C ATOM 0 H LEU A 22 0.128 -0.612 6.596 1.00 0.00 H new ATOM 0 HA LEU A 22 0.885 -2.616 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.815 0.121 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.885 -0.891 4.533 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.013 -0.375 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.832 1.201 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.196 1.734 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.476 1.013 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.643 -1.221 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.274 -1.569 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.868 -2.441 2.878 1.00 0.00 H new ATOM 313 N GLU A 23 2.833 -2.434 7.458 1.00 0.00 N ATOM 314 CA GLU A 23 3.899 -3.115 8.173 1.00 0.00 C ATOM 315 C GLU A 23 3.381 -4.421 8.779 1.00 0.00 C ATOM 316 O GLU A 23 4.055 -5.448 8.719 1.00 0.00 O ATOM 317 CB GLU A 23 4.502 -2.211 9.250 1.00 0.00 C ATOM 318 CG GLU A 23 5.679 -1.407 8.695 1.00 0.00 C ATOM 319 CD GLU A 23 6.729 -1.152 9.779 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.389 -0.424 10.737 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.846 -1.691 9.626 1.00 0.00 O ATOM 0 H GLU A 23 2.371 -1.694 7.986 1.00 0.00 H new ATOM 0 HA GLU A 23 4.691 -3.355 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.739 -1.531 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.836 -2.816 10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.133 -1.947 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.321 -0.456 8.300 1.00 0.00 H new ATOM 328 N GLN A 24 2.188 -4.339 9.350 1.00 0.00 N ATOM 329 CA GLN A 24 1.572 -5.501 9.967 1.00 0.00 C ATOM 330 C GLN A 24 1.520 -6.664 8.974 1.00 0.00 C ATOM 331 O GLN A 24 1.812 -7.804 9.332 1.00 0.00 O ATOM 332 CB GLN A 24 0.175 -5.167 10.494 1.00 0.00 C ATOM 333 CG GLN A 24 0.247 -4.138 11.624 1.00 0.00 C ATOM 334 CD GLN A 24 -0.184 -4.755 12.956 1.00 0.00 C ATOM 335 OE1 GLN A 24 -1.314 -5.179 13.136 1.00 0.00 O ATOM 336 NE2 GLN A 24 0.776 -4.781 13.876 1.00 0.00 N ATOM 0 H GLN A 24 1.632 -3.485 9.398 1.00 0.00 H new ATOM 0 HA GLN A 24 2.183 -5.802 10.818 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.441 -4.779 9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.308 -6.075 10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.264 -3.756 11.708 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.394 -3.288 11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.701 -4.409 13.659 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.588 -5.173 14.799 1.00 0.00 H new ATOM 345 N ALA A 25 1.146 -6.336 7.746 1.00 0.00 N ATOM 346 CA ALA A 25 1.052 -7.339 6.699 1.00 0.00 C ATOM 347 C ALA A 25 2.431 -7.960 6.468 1.00 0.00 C ATOM 348 O ALA A 25 2.552 -9.175 6.323 1.00 0.00 O ATOM 349 CB ALA A 25 0.480 -6.701 5.431 1.00 0.00 C ATOM 0 H ALA A 25 0.904 -5.389 7.453 1.00 0.00 H new ATOM 0 HA ALA A 25 0.375 -8.140 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.409 -7.453 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.512 -6.301 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.135 -5.894 5.103 1.00 0.00 H new ATOM 355 N LEU A 26 3.437 -7.097 6.442 1.00 0.00 N ATOM 356 CA LEU A 26 4.802 -7.546 6.231 1.00 0.00 C ATOM 357 C LEU A 26 5.116 -8.684 7.204 1.00 0.00 C ATOM 358 O LEU A 26 5.353 -9.816 6.784 1.00 0.00 O ATOM 359 CB LEU A 26 5.774 -6.368 6.329 1.00 0.00 C ATOM 360 CG LEU A 26 7.217 -6.652 5.904 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.277 -7.124 4.450 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.110 -5.434 6.149 1.00 0.00 C ATOM 0 H LEU A 26 3.333 -6.090 6.564 1.00 0.00 H new ATOM 0 HA LEU A 26 4.921 -7.945 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.389 -5.553 5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.783 -6.014 7.360 1.00 0.00 H new ATOM 0 HG LEU A 26 7.602 -7.463 6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.313 -7.319 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.694 -8.038 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.867 -6.352 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.130 -5.662 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.736 -4.587 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.101 -5.184 7.210 1.00 0.00 H new ATOM 374 N GLU A 27 5.108 -8.345 8.484 1.00 0.00 N ATOM 375 CA GLU A 27 5.389 -9.325 9.520 1.00 0.00 C ATOM 376 C GLU A 27 4.707 -10.655 9.191 1.00 0.00 C ATOM 377 O GLU A 27 5.291 -11.720 9.383 1.00 0.00 O ATOM 378 CB GLU A 27 4.954 -8.811 10.894 1.00 0.00 C ATOM 379 CG GLU A 27 5.767 -7.581 11.301 1.00 0.00 C ATOM 380 CD GLU A 27 6.804 -7.937 12.367 1.00 0.00 C ATOM 381 OE1 GLU A 27 7.377 -9.042 12.254 1.00 0.00 O ATOM 382 OE2 GLU A 27 7.001 -7.096 13.271 1.00 0.00 O ATOM 0 H GLU A 27 4.911 -7.405 8.828 1.00 0.00 H new ATOM 0 HA GLU A 27 6.466 -9.490 9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.893 -8.560 10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.081 -9.598 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.267 -7.166 10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.099 -6.809 11.682 1.00 0.00 H new ATOM 389 N ASP A 28 3.480 -10.550 8.701 1.00 0.00 N ATOM 390 CA ASP A 28 2.713 -11.731 8.344 1.00 0.00 C ATOM 391 C ASP A 28 3.442 -12.491 7.235 1.00 0.00 C ATOM 392 O ASP A 28 3.725 -13.680 7.375 1.00 0.00 O ATOM 393 CB ASP A 28 1.326 -11.349 7.823 1.00 0.00 C ATOM 394 CG ASP A 28 0.156 -11.838 8.679 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.439 -12.502 9.700 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.994 -11.537 8.293 1.00 0.00 O ATOM 0 H ASP A 28 2.998 -9.665 8.543 1.00 0.00 H new ATOM 0 HA ASP A 28 2.606 -12.347 9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.270 -10.263 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.211 -11.748 6.815 1.00 0.00 H new ATOM 401 N CYS A 29 3.726 -11.774 6.157 1.00 0.00 N ATOM 402 CA CYS A 29 4.417 -12.367 5.025 1.00 0.00 C ATOM 403 C CYS A 29 5.786 -12.857 5.500 1.00 0.00 C ATOM 404 O CYS A 29 6.192 -13.976 5.188 1.00 0.00 O ATOM 405 CB CYS A 29 4.536 -11.385 3.858 1.00 0.00 C ATOM 406 SG CYS A 29 2.886 -11.073 3.131 1.00 0.00 S ATOM 0 H CYS A 29 3.490 -10.788 6.044 1.00 0.00 H new ATOM 0 HA CYS A 29 3.842 -13.212 4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.973 -10.448 4.204 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.206 -11.789 3.099 1.00 0.00 H new ATOM 0 HG CYS A 29 2.999 -10.236 2.143 1.00 0.00 H new ATOM 412 N HIS A 30 6.461 -11.996 6.248 1.00 0.00 N ATOM 413 CA HIS A 30 7.776 -12.327 6.769 1.00 0.00 C ATOM 414 C HIS A 30 7.758 -13.745 7.343 1.00 0.00 C ATOM 415 O HIS A 30 8.699 -14.511 7.144 1.00 0.00 O ATOM 416 CB HIS A 30 8.236 -11.281 7.787 1.00 0.00 C ATOM 417 CG HIS A 30 8.989 -11.857 8.962 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.340 -11.637 9.167 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.567 -12.646 9.991 1.00 0.00 C ATOM 420 CE1 HIS A 30 10.704 -12.270 10.273 1.00 0.00 C ATOM 421 NE2 HIS A 30 9.604 -12.896 10.782 1.00 0.00 N ATOM 0 H HIS A 30 6.121 -11.069 6.506 1.00 0.00 H new ATOM 0 HA HIS A 30 8.507 -12.309 5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.872 -10.553 7.283 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.364 -10.741 8.157 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.560 -13.007 10.138 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.697 -12.287 10.697 1.00 0.00 H new ATOM 0 HE2 HIS A 30 9.582 -13.462 11.630 1.00 0.00 H new ATOM 429 N GLY A 31 6.677 -14.051 8.045 1.00 0.00 N ATOM 430 CA GLY A 31 6.524 -15.364 8.649 1.00 0.00 C ATOM 431 C GLY A 31 5.500 -16.204 7.884 1.00 0.00 C ATOM 432 O GLY A 31 4.645 -16.850 8.488 1.00 0.00 O ATOM 0 H GLY A 31 5.899 -13.413 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.485 -15.877 8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.209 -15.256 9.687 1.00 0.00 H new ATOM 436 N HIS A 32 5.620 -16.168 6.565 1.00 0.00 N ATOM 437 CA HIS A 32 4.715 -16.918 5.710 1.00 0.00 C ATOM 438 C HIS A 32 5.297 -17.005 4.298 1.00 0.00 C ATOM 439 O HIS A 32 5.665 -18.086 3.839 1.00 0.00 O ATOM 440 CB HIS A 32 3.312 -16.309 5.737 1.00 0.00 C ATOM 441 CG HIS A 32 2.431 -16.844 6.841 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.961 -18.146 6.861 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.941 -16.241 7.961 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.222 -18.307 7.948 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.210 -17.125 8.629 1.00 0.00 N ATOM 0 H HIS A 32 6.330 -15.631 6.067 1.00 0.00 H new ATOM 0 HA HIS A 32 4.613 -17.936 6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.398 -15.228 5.847 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.828 -16.494 4.778 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.118 -15.217 8.255 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.717 -19.215 8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.720 -16.950 9.506 1.00 0.00 H new ATOM 453 N THR A 33 5.362 -15.852 3.648 1.00 0.00 N ATOM 454 CA THR A 33 5.893 -15.785 2.297 1.00 0.00 C ATOM 455 C THR A 33 7.411 -15.973 2.310 1.00 0.00 C ATOM 456 O THR A 33 8.068 -15.678 3.308 1.00 0.00 O ATOM 457 CB THR A 33 5.451 -14.455 1.681 1.00 0.00 C ATOM 458 OG1 THR A 33 4.156 -14.730 1.154 1.00 0.00 O ATOM 459 CG2 THR A 33 6.280 -14.074 0.453 1.00 0.00 C ATOM 0 H THR A 33 5.056 -14.958 4.031 1.00 0.00 H new ATOM 0 HA THR A 33 5.502 -16.593 1.678 1.00 0.00 H new ATOM 0 HB THR A 33 5.527 -13.666 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.519 -14.063 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.925 -13.123 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.328 -13.980 0.736 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.178 -14.847 -0.309 1.00 0.00 H new ATOM 467 N LYS A 34 7.924 -16.462 1.191 1.00 0.00 N ATOM 468 CA LYS A 34 9.353 -16.693 1.062 1.00 0.00 C ATOM 469 C LYS A 34 10.113 -15.492 1.628 1.00 0.00 C ATOM 470 O LYS A 34 9.905 -14.360 1.193 1.00 0.00 O ATOM 471 CB LYS A 34 9.714 -17.021 -0.389 1.00 0.00 C ATOM 472 CG LYS A 34 8.896 -18.208 -0.902 1.00 0.00 C ATOM 473 CD LYS A 34 9.588 -18.877 -2.092 1.00 0.00 C ATOM 474 CE LYS A 34 11.005 -19.321 -1.724 1.00 0.00 C ATOM 475 NZ LYS A 34 11.451 -20.418 -2.611 1.00 0.00 N ATOM 0 H LYS A 34 7.376 -16.705 0.366 1.00 0.00 H new ATOM 0 HA LYS A 34 9.652 -17.564 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.532 -16.150 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.777 -17.249 -0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.760 -18.934 -0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.903 -17.869 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.006 -19.739 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.627 -18.183 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.690 -18.477 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.031 -19.652 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.415 -20.707 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.807 -21.228 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.446 -20.090 -3.598 1.00 0.00 H new ATOM 489 N LYS A 35 10.978 -15.779 2.589 1.00 0.00 N ATOM 490 CA LYS A 35 11.770 -14.737 3.219 1.00 0.00 C ATOM 491 C LYS A 35 12.309 -13.791 2.144 1.00 0.00 C ATOM 492 O LYS A 35 12.191 -12.573 2.267 1.00 0.00 O ATOM 493 CB LYS A 35 12.860 -15.350 4.100 1.00 0.00 C ATOM 494 CG LYS A 35 13.734 -14.263 4.729 1.00 0.00 C ATOM 495 CD LYS A 35 13.075 -13.687 5.984 1.00 0.00 C ATOM 496 CE LYS A 35 13.987 -12.662 6.661 1.00 0.00 C ATOM 497 NZ LYS A 35 13.183 -11.602 7.309 1.00 0.00 N ATOM 0 H LYS A 35 11.148 -16.719 2.947 1.00 0.00 H new ATOM 0 HA LYS A 35 11.150 -14.140 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.402 -15.952 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.480 -16.020 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.709 -14.678 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.906 -13.466 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.128 -13.217 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.847 -14.493 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.613 -13.157 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.657 -12.219 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.769 -11.098 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.847 -10.931 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.367 -12.031 7.790 1.00 0.00 H new ATOM 511 N GLN A 36 12.889 -14.388 1.113 1.00 0.00 N ATOM 512 CA GLN A 36 13.446 -13.614 0.016 1.00 0.00 C ATOM 513 C GLN A 36 12.427 -12.586 -0.479 1.00 0.00 C ATOM 514 O GLN A 36 12.740 -11.401 -0.590 1.00 0.00 O ATOM 515 CB GLN A 36 13.901 -14.528 -1.124 1.00 0.00 C ATOM 516 CG GLN A 36 15.353 -14.968 -0.927 1.00 0.00 C ATOM 517 CD GLN A 36 16.248 -14.419 -2.040 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.958 -14.536 -3.219 1.00 0.00 O ATOM 519 NE2 GLN A 36 17.349 -13.816 -1.601 1.00 0.00 N ATOM 0 H GLN A 36 12.985 -15.399 1.014 1.00 0.00 H new ATOM 0 HA GLN A 36 14.323 -13.080 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.255 -15.405 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.801 -14.006 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.714 -14.619 0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.408 -16.057 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.531 -13.753 -0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.011 -13.417 -2.266 1.00 0.00 H new ATOM 528 N VAL A 37 11.229 -13.075 -0.762 1.00 0.00 N ATOM 529 CA VAL A 37 10.163 -12.213 -1.243 1.00 0.00 C ATOM 530 C VAL A 37 9.912 -11.102 -0.222 1.00 0.00 C ATOM 531 O VAL A 37 9.924 -9.922 -0.568 1.00 0.00 O ATOM 532 CB VAL A 37 8.913 -13.044 -1.542 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.753 -12.150 -1.984 1.00 0.00 C ATOM 534 CG2 VAL A 37 9.207 -14.119 -2.590 1.00 0.00 C ATOM 0 H VAL A 37 10.973 -14.058 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 37 10.451 -11.735 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 37 8.617 -13.546 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.877 -12.766 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.519 -11.440 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.035 -11.607 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.302 -14.695 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.541 -13.645 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.988 -14.784 -2.220 1.00 0.00 H new ATOM 544 N CYS A 38 9.690 -11.519 1.016 1.00 0.00 N ATOM 545 CA CYS A 38 9.437 -10.574 2.090 1.00 0.00 C ATOM 546 C CYS A 38 10.502 -9.477 2.027 1.00 0.00 C ATOM 547 O CYS A 38 10.177 -8.295 1.926 1.00 0.00 O ATOM 548 CB CYS A 38 9.408 -11.263 3.456 1.00 0.00 C ATOM 549 SG CYS A 38 9.468 -10.012 4.790 1.00 0.00 S ATOM 0 H CYS A 38 9.680 -12.499 1.299 1.00 0.00 H new ATOM 0 HA CYS A 38 8.450 -10.129 1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.503 -11.864 3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.254 -11.944 3.547 1.00 0.00 H new ATOM 0 HG CYS A 38 10.303 -10.397 5.709 1.00 0.00 H new ATOM 555 N ASP A 39 11.754 -9.908 2.087 1.00 0.00 N ATOM 556 CA ASP A 39 12.869 -8.978 2.038 1.00 0.00 C ATOM 557 C ASP A 39 12.647 -7.983 0.898 1.00 0.00 C ATOM 558 O ASP A 39 12.853 -6.782 1.068 1.00 0.00 O ATOM 559 CB ASP A 39 14.186 -9.711 1.776 1.00 0.00 C ATOM 560 CG ASP A 39 15.427 -9.044 2.372 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.690 -9.302 3.567 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.084 -8.292 1.620 1.00 0.00 O ATOM 0 H ASP A 39 12.020 -10.889 2.169 1.00 0.00 H new ATOM 0 HA ASP A 39 12.925 -8.468 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.108 -10.722 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.324 -9.805 0.699 1.00 0.00 H new ATOM 567 N ASP A 40 12.229 -8.518 -0.240 1.00 0.00 N ATOM 568 CA ASP A 40 11.976 -7.691 -1.408 1.00 0.00 C ATOM 569 C ASP A 40 10.813 -6.741 -1.113 1.00 0.00 C ATOM 570 O ASP A 40 10.869 -5.561 -1.455 1.00 0.00 O ATOM 571 CB ASP A 40 11.593 -8.547 -2.616 1.00 0.00 C ATOM 572 CG ASP A 40 11.642 -7.824 -3.963 1.00 0.00 C ATOM 573 OD1 ASP A 40 11.912 -6.604 -3.942 1.00 0.00 O ATOM 574 OD2 ASP A 40 11.409 -8.507 -4.983 1.00 0.00 O ATOM 0 H ASP A 40 12.059 -9.514 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 40 12.888 -7.137 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.260 -9.408 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.585 -8.932 -2.464 1.00 0.00 H new ATOM 579 N ILE A 41 9.787 -7.292 -0.481 1.00 0.00 N ATOM 580 CA ILE A 41 8.613 -6.509 -0.137 1.00 0.00 C ATOM 581 C ILE A 41 9.013 -5.398 0.836 1.00 0.00 C ATOM 582 O ILE A 41 8.789 -4.220 0.566 1.00 0.00 O ATOM 583 CB ILE A 41 7.499 -7.416 0.390 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.979 -8.342 -0.712 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.375 -6.593 1.024 1.00 0.00 C ATOM 586 CD1 ILE A 41 6.077 -9.432 -0.131 1.00 0.00 C ATOM 0 H ILE A 41 9.745 -8.271 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 41 8.205 -6.025 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 41 7.916 -8.049 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.425 -7.761 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.819 -8.800 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.596 -7.262 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.774 -6.011 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.953 -5.919 0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.721 -10.076 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.641 -10.026 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.225 -8.971 0.369 1.00 0.00 H new ATOM 598 N SER A 42 9.599 -5.814 1.950 1.00 0.00 N ATOM 599 CA SER A 42 10.033 -4.869 2.965 1.00 0.00 C ATOM 600 C SER A 42 10.857 -3.752 2.322 1.00 0.00 C ATOM 601 O SER A 42 10.735 -2.589 2.702 1.00 0.00 O ATOM 602 CB SER A 42 10.847 -5.568 4.056 1.00 0.00 C ATOM 603 OG SER A 42 11.640 -6.630 3.532 1.00 0.00 O ATOM 0 H SER A 42 9.783 -6.792 2.172 1.00 0.00 H new ATOM 0 HA SER A 42 9.147 -4.437 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.494 -4.841 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.172 -5.961 4.817 1.00 0.00 H new ATOM 0 HG SER A 42 12.066 -6.340 2.699 1.00 0.00 H new ATOM 609 N ARG A 43 11.678 -4.145 1.358 1.00 0.00 N ATOM 610 CA ARG A 43 12.521 -3.191 0.659 1.00 0.00 C ATOM 611 C ARG A 43 11.673 -2.055 0.082 1.00 0.00 C ATOM 612 O ARG A 43 12.105 -0.903 0.059 1.00 0.00 O ATOM 613 CB ARG A 43 13.295 -3.867 -0.475 1.00 0.00 C ATOM 614 CG ARG A 43 14.788 -3.944 -0.150 1.00 0.00 C ATOM 615 CD ARG A 43 15.626 -3.983 -1.430 1.00 0.00 C ATOM 616 NE ARG A 43 16.623 -5.074 -1.349 1.00 0.00 N ATOM 617 CZ ARG A 43 16.359 -6.355 -1.641 1.00 0.00 C ATOM 618 NH1 ARG A 43 15.130 -6.713 -2.034 1.00 0.00 N ATOM 619 NH2 ARG A 43 17.326 -7.277 -1.539 1.00 0.00 N ATOM 0 H ARG A 43 11.777 -5.111 1.045 1.00 0.00 H new ATOM 0 HA ARG A 43 13.233 -2.788 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.903 -4.871 -0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.149 -3.311 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.078 -3.083 0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.988 -4.833 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.979 -4.134 -2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.131 -3.028 -1.573 1.00 0.00 H new ATOM 0 HE ARG A 43 17.570 -4.836 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.394 -6.011 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.929 -7.688 -2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.262 -7.004 -1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.126 -8.252 -1.761 1.00 0.00 H new ATOM 633 N ARG A 44 10.482 -2.419 -0.370 1.00 0.00 N ATOM 634 CA ARG A 44 9.570 -1.446 -0.945 1.00 0.00 C ATOM 635 C ARG A 44 9.011 -0.532 0.148 1.00 0.00 C ATOM 636 O ARG A 44 9.022 0.690 0.006 1.00 0.00 O ATOM 637 CB ARG A 44 8.411 -2.136 -1.666 1.00 0.00 C ATOM 638 CG ARG A 44 8.925 -3.196 -2.642 1.00 0.00 C ATOM 639 CD ARG A 44 9.680 -2.550 -3.805 1.00 0.00 C ATOM 640 NE ARG A 44 10.877 -3.352 -4.140 1.00 0.00 N ATOM 641 CZ ARG A 44 11.531 -3.276 -5.307 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.106 -2.434 -6.259 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.608 -4.043 -5.523 1.00 0.00 N ATOM 0 H ARG A 44 10.128 -3.375 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 44 10.130 -0.853 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.748 -2.600 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.821 -1.395 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.582 -3.890 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.088 -3.778 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.028 -2.474 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.975 -1.535 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 44 11.227 -4.004 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.285 -1.851 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.604 -2.376 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.930 -4.685 -4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.106 -3.985 -6.411 1.00 0.00 H new ATOM 657 N LEU A 45 8.535 -1.160 1.213 1.00 0.00 N ATOM 658 CA LEU A 45 7.973 -0.419 2.329 1.00 0.00 C ATOM 659 C LEU A 45 8.947 0.685 2.746 1.00 0.00 C ATOM 660 O LEU A 45 8.578 1.858 2.793 1.00 0.00 O ATOM 661 CB LEU A 45 7.597 -1.369 3.468 1.00 0.00 C ATOM 662 CG LEU A 45 6.765 -2.591 3.075 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.120 -3.234 4.305 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.730 -2.230 2.008 1.00 0.00 C ATOM 0 H LEU A 45 8.527 -2.174 1.327 1.00 0.00 H new ATOM 0 HA LEU A 45 7.045 0.070 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.515 -1.716 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.044 -0.804 4.218 1.00 0.00 H new ATOM 0 HG LEU A 45 7.433 -3.332 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.534 -4.100 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.898 -3.550 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.468 -2.510 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.152 -3.117 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.061 -1.462 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.239 -1.854 1.120 1.00 0.00 H new ATOM 676 N ALA A 46 10.171 0.271 3.037 1.00 0.00 N ATOM 677 CA ALA A 46 11.201 1.211 3.447 1.00 0.00 C ATOM 678 C ALA A 46 11.121 2.463 2.573 1.00 0.00 C ATOM 679 O ALA A 46 11.169 3.583 3.080 1.00 0.00 O ATOM 680 CB ALA A 46 12.570 0.533 3.371 1.00 0.00 C ATOM 0 H ALA A 46 10.473 -0.702 2.997 1.00 0.00 H new ATOM 0 HA ALA A 46 11.048 1.521 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.343 1.238 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.584 -0.333 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.760 0.210 2.347 1.00 0.00 H new ATOM 686 N LEU A 47 11.000 2.232 1.274 1.00 0.00 N ATOM 687 CA LEU A 47 10.913 3.328 0.323 1.00 0.00 C ATOM 688 C LEU A 47 9.599 4.081 0.540 1.00 0.00 C ATOM 689 O LEU A 47 9.602 5.292 0.757 1.00 0.00 O ATOM 690 CB LEU A 47 11.099 2.814 -1.106 1.00 0.00 C ATOM 691 CG LEU A 47 11.543 3.852 -2.139 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.836 3.192 -3.488 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.515 4.978 -2.263 1.00 0.00 C ATOM 0 H LEU A 47 10.960 1.302 0.857 1.00 0.00 H new ATOM 0 HA LEU A 47 11.721 4.041 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.834 2.010 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.157 2.378 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 47 12.473 4.303 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.149 3.952 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.631 2.456 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.936 2.697 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.856 5.702 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.557 4.563 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.399 5.473 -1.299 1.00 0.00 H new ATOM 705 N LEU A 48 8.507 3.334 0.473 1.00 0.00 N ATOM 706 CA LEU A 48 7.189 3.916 0.659 1.00 0.00 C ATOM 707 C LEU A 48 7.245 4.944 1.791 1.00 0.00 C ATOM 708 O LEU A 48 6.870 6.100 1.603 1.00 0.00 O ATOM 709 CB LEU A 48 6.144 2.819 0.876 1.00 0.00 C ATOM 710 CG LEU A 48 4.860 3.247 1.589 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.278 4.513 0.959 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.844 2.103 1.622 1.00 0.00 C ATOM 0 H LEU A 48 8.508 2.330 0.292 1.00 0.00 H new ATOM 0 HA LEU A 48 6.877 4.448 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.875 2.404 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.604 2.015 1.450 1.00 0.00 H new ATOM 0 HG LEU A 48 5.108 3.488 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.366 4.795 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.004 5.323 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.049 4.325 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.940 2.434 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.596 1.807 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.271 1.252 2.153 1.00 0.00 H new ATOM 724 N ARG A 49 7.716 4.485 2.941 1.00 0.00 N ATOM 725 CA ARG A 49 7.825 5.350 4.103 1.00 0.00 C ATOM 726 C ARG A 49 8.697 6.565 3.779 1.00 0.00 C ATOM 727 O ARG A 49 8.318 7.700 4.068 1.00 0.00 O ATOM 728 CB ARG A 49 8.429 4.601 5.292 1.00 0.00 C ATOM 729 CG ARG A 49 8.697 5.552 6.461 1.00 0.00 C ATOM 730 CD ARG A 49 9.465 4.844 7.579 1.00 0.00 C ATOM 731 NE ARG A 49 10.092 5.842 8.473 1.00 0.00 N ATOM 732 CZ ARG A 49 11.150 6.593 8.136 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.705 6.463 6.923 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.653 7.474 9.011 1.00 0.00 N ATOM 0 H ARG A 49 8.026 3.525 3.093 1.00 0.00 H new ATOM 0 HA ARG A 49 6.820 5.679 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.750 3.810 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.359 4.120 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.268 6.412 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.752 5.933 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.789 4.207 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.230 4.195 7.152 1.00 0.00 H new ATOM 0 HE ARG A 49 9.694 5.966 9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.322 5.793 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.510 7.034 6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.231 7.574 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.458 8.045 8.754 1.00 0.00 H new ATOM 748 N GLU A 50 9.847 6.287 3.184 1.00 0.00 N ATOM 749 CA GLU A 50 10.775 7.344 2.818 1.00 0.00 C ATOM 750 C GLU A 50 10.072 8.392 1.954 1.00 0.00 C ATOM 751 O GLU A 50 10.040 9.571 2.305 1.00 0.00 O ATOM 752 CB GLU A 50 11.999 6.773 2.099 1.00 0.00 C ATOM 753 CG GLU A 50 12.851 5.930 3.051 1.00 0.00 C ATOM 754 CD GLU A 50 14.271 6.489 3.156 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.742 7.040 2.137 1.00 0.00 O ATOM 756 OE2 GLU A 50 14.855 6.353 4.253 1.00 0.00 O ATOM 0 H GLU A 50 10.158 5.345 2.946 1.00 0.00 H new ATOM 0 HA GLU A 50 11.123 7.828 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.677 6.162 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.599 7.587 1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.390 5.912 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.887 4.900 2.697 1.00 0.00 H new ATOM 763 N GLN A 51 9.525 7.926 0.841 1.00 0.00 N ATOM 764 CA GLN A 51 8.823 8.809 -0.075 1.00 0.00 C ATOM 765 C GLN A 51 7.645 9.481 0.632 1.00 0.00 C ATOM 766 O GLN A 51 7.366 10.657 0.402 1.00 0.00 O ATOM 767 CB GLN A 51 8.356 8.050 -1.318 1.00 0.00 C ATOM 768 CG GLN A 51 9.175 8.453 -2.547 1.00 0.00 C ATOM 769 CD GLN A 51 8.306 8.458 -3.807 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.628 9.422 -4.121 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.365 7.329 -4.508 1.00 0.00 N ATOM 0 H GLN A 51 9.554 6.948 0.553 1.00 0.00 H new ATOM 0 HA GLN A 51 9.515 9.585 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.450 6.977 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.300 8.253 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.605 9.443 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.007 7.761 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.954 6.560 -4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.822 7.232 -5.366 1.00 0.00 H new ATOM 780 N TRP A 52 6.985 8.706 1.480 1.00 0.00 N ATOM 781 CA TRP A 52 5.842 9.211 2.222 1.00 0.00 C ATOM 782 C TRP A 52 6.338 10.316 3.158 1.00 0.00 C ATOM 783 O TRP A 52 5.952 11.475 3.014 1.00 0.00 O ATOM 784 CB TRP A 52 5.125 8.080 2.961 1.00 0.00 C ATOM 785 CG TRP A 52 3.794 8.494 3.593 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.563 9.509 4.437 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.513 7.860 3.394 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.232 9.574 4.796 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.573 8.539 4.142 1.00 0.00 C ATOM 790 CE3 TRP A 52 2.161 6.748 2.609 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.220 8.184 4.178 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.804 6.406 2.656 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.155 7.080 3.403 1.00 0.00 C ATOM 0 H TRP A 52 7.220 7.732 1.670 1.00 0.00 H new ATOM 0 HA TRP A 52 5.099 9.634 1.546 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.945 7.261 2.264 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.782 7.696 3.741 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.323 10.190 4.791 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.809 10.256 5.426 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.880 6.201 2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.497 8.732 4.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.480 5.559 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.184 6.754 3.386 1.00 0.00 H new ATOM 804 N ALA A 53 7.186 9.918 4.095 1.00 0.00 N ATOM 805 CA ALA A 53 7.738 10.860 5.053 1.00 0.00 C ATOM 806 C ALA A 53 8.410 12.011 4.302 1.00 0.00 C ATOM 807 O ALA A 53 8.026 13.169 4.460 1.00 0.00 O ATOM 808 CB ALA A 53 8.706 10.130 5.987 1.00 0.00 C ATOM 0 H ALA A 53 7.504 8.956 4.211 1.00 0.00 H new ATOM 0 HA ALA A 53 6.947 11.286 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.120 10.837 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.174 9.341 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.514 9.691 5.402 1.00 0.00 H new ATOM 814 N GLY A 54 9.402 11.652 3.499 1.00 0.00 N ATOM 815 CA GLY A 54 10.130 12.641 2.723 1.00 0.00 C ATOM 816 C GLY A 54 9.198 13.752 2.237 1.00 0.00 C ATOM 817 O GLY A 54 9.580 14.921 2.212 1.00 0.00 O ATOM 0 H GLY A 54 9.718 10.691 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.927 13.070 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.605 12.160 1.868 1.00 0.00 H new ATOM 821 N GLY A 55 7.993 13.349 1.862 1.00 0.00 N ATOM 822 CA GLY A 55 7.003 14.296 1.378 1.00 0.00 C ATOM 823 C GLY A 55 6.989 14.341 -0.151 1.00 0.00 C ATOM 824 O GLY A 55 6.744 15.391 -0.743 1.00 0.00 O ATOM 0 H GLY A 55 7.680 12.379 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.016 14.016 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.220 15.289 1.773 1.00 0.00 H new ATOM 828 N LYS A 56 7.255 13.188 -0.748 1.00 0.00 N ATOM 829 CA LYS A 56 7.276 13.083 -2.197 1.00 0.00 C ATOM 830 C LYS A 56 5.910 12.599 -2.689 1.00 0.00 C ATOM 831 O LYS A 56 5.458 12.992 -3.763 1.00 0.00 O ATOM 832 CB LYS A 56 8.441 12.202 -2.653 1.00 0.00 C ATOM 833 CG LYS A 56 9.685 13.045 -2.941 1.00 0.00 C ATOM 834 CD LYS A 56 10.018 13.041 -4.434 1.00 0.00 C ATOM 835 CE LYS A 56 11.490 13.381 -4.670 1.00 0.00 C ATOM 836 NZ LYS A 56 11.847 13.184 -6.092 1.00 0.00 N ATOM 0 H LYS A 56 7.458 12.319 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 56 7.450 14.060 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.667 11.465 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.156 11.650 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.521 14.069 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.531 12.655 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.795 12.061 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.387 13.763 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.681 14.414 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.120 12.752 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.850 13.420 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.684 12.192 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.259 13.802 -6.686 1.00 0.00 H new ATOM 850 N LEU A 57 5.292 11.752 -1.879 1.00 0.00 N ATOM 851 CA LEU A 57 3.987 11.210 -2.218 1.00 0.00 C ATOM 852 C LEU A 57 2.965 12.348 -2.269 1.00 0.00 C ATOM 853 O LEU A 57 3.122 13.359 -1.587 1.00 0.00 O ATOM 854 CB LEU A 57 3.607 10.085 -1.254 1.00 0.00 C ATOM 855 CG LEU A 57 4.588 8.914 -1.170 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.039 7.802 -0.273 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.949 8.400 -2.565 1.00 0.00 C ATOM 0 H LEU A 57 5.671 11.428 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 57 4.009 10.755 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.494 10.511 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.632 9.696 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 57 5.509 9.272 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.756 6.982 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.874 8.193 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.095 7.439 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.648 7.568 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.046 8.063 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.411 9.202 -3.140 1.00 0.00 H new ATOM 869 N SER A 58 1.940 12.144 -3.084 1.00 0.00 N ATOM 870 CA SER A 58 0.893 13.140 -3.233 1.00 0.00 C ATOM 871 C SER A 58 -0.100 13.032 -2.074 1.00 0.00 C ATOM 872 O SER A 58 -0.194 11.990 -1.428 1.00 0.00 O ATOM 873 CB SER A 58 0.167 12.979 -4.570 1.00 0.00 C ATOM 874 OG SER A 58 1.023 12.461 -5.584 1.00 0.00 O ATOM 0 H SER A 58 1.813 11.304 -3.648 1.00 0.00 H new ATOM 0 HA SER A 58 1.355 14.127 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.686 12.313 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.227 13.945 -4.887 1.00 0.00 H new ATOM 0 HG SER A 58 0.487 11.989 -6.255 1.00 0.00 H new ATOM 880 N ILE A 59 -0.815 14.124 -1.846 1.00 0.00 N ATOM 881 CA ILE A 59 -1.797 14.166 -0.776 1.00 0.00 C ATOM 882 C ILE A 59 -2.928 13.184 -1.089 1.00 0.00 C ATOM 883 O ILE A 59 -3.380 12.452 -0.209 1.00 0.00 O ATOM 884 CB ILE A 59 -2.275 15.600 -0.543 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.141 16.477 -0.009 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.501 15.628 0.372 1.00 0.00 C ATOM 887 CD1 ILE A 59 -0.265 15.700 0.976 1.00 0.00 C ATOM 0 H ILE A 59 -0.734 14.987 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.349 13.847 0.165 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.580 16.018 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.532 16.835 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.557 17.356 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.820 16.659 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.311 15.060 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.247 15.184 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.534 16.346 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.872 15.364 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.169 14.836 0.473 1.00 0.00 H new ATOM 899 N PRO A 60 -3.362 13.199 -2.377 1.00 0.00 N ATOM 900 CA PRO A 60 -4.431 12.319 -2.817 1.00 0.00 C ATOM 901 C PRO A 60 -3.931 10.881 -2.967 1.00 0.00 C ATOM 902 O PRO A 60 -4.706 9.980 -3.285 1.00 0.00 O ATOM 903 CB PRO A 60 -4.920 12.917 -4.126 1.00 0.00 C ATOM 904 CG PRO A 60 -3.808 13.836 -4.605 1.00 0.00 C ATOM 905 CD PRO A 60 -2.850 14.052 -3.446 1.00 0.00 C ATOM 0 HA PRO A 60 -5.245 12.254 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.125 12.137 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.848 13.470 -3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.287 13.394 -5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.218 14.787 -4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.831 13.777 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.827 15.098 -3.141 1.00 0.00 H new ATOM 913 N VAL A 61 -2.639 10.710 -2.730 1.00 0.00 N ATOM 914 CA VAL A 61 -2.026 9.397 -2.834 1.00 0.00 C ATOM 915 C VAL A 61 -2.094 8.697 -1.475 1.00 0.00 C ATOM 916 O VAL A 61 -2.082 7.469 -1.404 1.00 0.00 O ATOM 917 CB VAL A 61 -0.598 9.527 -3.368 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.268 8.351 -2.910 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.592 9.650 -4.893 1.00 0.00 C ATOM 0 H VAL A 61 -1.999 11.459 -2.466 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.571 8.777 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.168 10.440 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.278 8.468 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.303 8.328 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.159 7.419 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.435 9.741 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.049 8.763 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.157 10.534 -5.189 1.00 0.00 H new ATOM 929 N LYS A 62 -2.165 9.509 -0.430 1.00 0.00 N ATOM 930 CA LYS A 62 -2.236 8.983 0.922 1.00 0.00 C ATOM 931 C LYS A 62 -3.700 8.750 1.299 1.00 0.00 C ATOM 932 O LYS A 62 -4.036 7.729 1.897 1.00 0.00 O ATOM 933 CB LYS A 62 -1.490 9.901 1.893 1.00 0.00 C ATOM 934 CG LYS A 62 -0.193 10.421 1.270 1.00 0.00 C ATOM 935 CD LYS A 62 0.334 11.636 2.036 1.00 0.00 C ATOM 936 CE LYS A 62 1.632 12.155 1.413 1.00 0.00 C ATOM 937 NZ LYS A 62 2.431 12.891 2.418 1.00 0.00 N ATOM 0 H LYS A 62 -2.175 10.527 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.734 8.017 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.128 10.741 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.265 9.359 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.558 9.631 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.368 10.691 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.417 12.426 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.509 11.366 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.212 11.321 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.402 12.809 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.308 13.236 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.881 13.698 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.666 12.256 3.208 1.00 0.00 H new ATOM 951 N LYS A 63 -4.533 9.713 0.932 1.00 0.00 N ATOM 952 CA LYS A 63 -5.954 9.626 1.223 1.00 0.00 C ATOM 953 C LYS A 63 -6.535 8.388 0.537 1.00 0.00 C ATOM 954 O LYS A 63 -7.436 7.743 1.071 1.00 0.00 O ATOM 955 CB LYS A 63 -6.660 10.929 0.843 1.00 0.00 C ATOM 956 CG LYS A 63 -6.935 11.785 2.082 1.00 0.00 C ATOM 957 CD LYS A 63 -6.084 13.056 2.069 1.00 0.00 C ATOM 958 CE LYS A 63 -4.626 12.744 2.409 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.503 12.316 3.820 1.00 0.00 N ATOM 0 H LYS A 63 -4.251 10.558 0.435 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.117 9.504 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.044 11.489 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.598 10.704 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.992 12.051 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.721 11.208 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.140 13.525 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.483 13.772 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.253 11.959 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.009 13.626 2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.503 12.337 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.048 12.961 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.872 11.349 3.923 1.00 0.00 H new ATOM 973 N ARG A 64 -5.996 8.094 -0.637 1.00 0.00 N ATOM 974 CA ARG A 64 -6.451 6.945 -1.402 1.00 0.00 C ATOM 975 C ARG A 64 -5.869 5.655 -0.819 1.00 0.00 C ATOM 976 O ARG A 64 -6.582 4.666 -0.659 1.00 0.00 O ATOM 977 CB ARG A 64 -6.039 7.063 -2.871 1.00 0.00 C ATOM 978 CG ARG A 64 -7.264 7.229 -3.772 1.00 0.00 C ATOM 979 CD ARG A 64 -7.485 8.700 -4.131 1.00 0.00 C ATOM 980 NE ARG A 64 -8.874 9.097 -3.808 1.00 0.00 N ATOM 981 CZ ARG A 64 -9.309 10.364 -3.791 1.00 0.00 C ATOM 982 NH1 ARG A 64 -8.466 11.365 -4.080 1.00 0.00 N ATOM 983 NH2 ARG A 64 -10.586 10.630 -3.486 1.00 0.00 N ATOM 0 H ARG A 64 -5.249 8.631 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.539 6.917 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.372 7.915 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.482 6.175 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.132 6.645 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.147 6.837 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.782 9.326 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.291 8.857 -5.192 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.542 8.359 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.494 11.162 -4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.797 12.330 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.227 9.868 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.917 11.595 -3.473 1.00 0.00 H new ATOM 997 N MET A 65 -4.581 5.708 -0.517 1.00 0.00 N ATOM 998 CA MET A 65 -3.896 4.557 0.045 1.00 0.00 C ATOM 999 C MET A 65 -4.654 4.003 1.253 1.00 0.00 C ATOM 1000 O MET A 65 -5.060 2.842 1.256 1.00 0.00 O ATOM 1001 CB MET A 65 -2.483 4.961 0.471 1.00 0.00 C ATOM 1002 CG MET A 65 -1.455 4.559 -0.589 1.00 0.00 C ATOM 1003 SD MET A 65 -1.476 2.789 -0.819 1.00 0.00 S ATOM 1004 CE MET A 65 -0.856 2.262 0.770 1.00 0.00 C ATOM 0 H MET A 65 -3.993 6.531 -0.651 1.00 0.00 H new ATOM 0 HA MET A 65 -3.847 3.780 -0.718 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.442 6.038 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.236 4.487 1.421 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.678 5.059 -1.532 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.460 4.883 -0.284 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.721 1.180 0.767 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.100 2.747 0.966 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.568 2.537 1.548 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.823 4.860 2.249 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.526 4.471 3.460 1.00 0.00 C ATOM 1016 C ALA A 66 -6.724 3.595 3.089 1.00 0.00 C ATOM 1017 O ALA A 66 -7.008 2.607 3.765 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.938 5.724 4.236 1.00 0.00 C ATOM 0 H ALA A 66 -4.485 5.822 2.242 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.877 3.884 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.465 5.432 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.049 6.297 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.593 6.336 3.617 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.396 3.988 2.017 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.556 3.250 1.548 1.00 0.00 C ATOM 1026 C LEU A 67 -8.173 1.783 1.339 1.00 0.00 C ATOM 1027 O LEU A 67 -8.687 0.900 2.024 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.148 3.915 0.304 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.286 5.437 0.358 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.082 5.959 -0.840 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.893 5.885 1.689 1.00 0.00 C ATOM 0 H LEU A 67 -7.159 4.809 1.460 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.347 3.269 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.525 3.657 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.134 3.487 0.122 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.289 5.873 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.165 7.044 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.570 5.688 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.079 5.518 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.980 6.971 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.881 5.440 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.251 5.563 2.509 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.274 1.570 0.390 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.816 0.226 0.082 1.00 0.00 C ATOM 1045 C LEU A 68 -6.414 -0.481 1.378 1.00 0.00 C ATOM 1046 O LEU A 68 -6.744 -1.649 1.580 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.702 0.266 -0.967 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.613 -0.800 -0.830 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.850 -0.975 -2.145 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.677 -0.482 0.338 1.00 0.00 C ATOM 0 H LEU A 68 -6.850 2.305 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.622 -0.357 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.155 0.169 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.229 1.247 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.093 -1.753 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.082 -1.738 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.542 -1.281 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.382 -0.031 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.913 -1.255 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.201 0.484 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.250 -0.448 1.265 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.708 0.256 2.223 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.258 -0.286 3.494 1.00 0.00 C ATOM 1064 C VAL A 69 -6.472 -0.730 4.312 1.00 0.00 C ATOM 1065 O VAL A 69 -6.591 -1.902 4.666 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.390 0.742 4.222 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.137 0.317 5.671 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.072 0.971 3.480 1.00 0.00 C ATOM 0 H VAL A 69 -5.436 1.224 2.052 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.634 -1.165 3.336 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.933 1.687 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.518 1.065 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.088 0.228 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.625 -0.645 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.474 1.706 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.522 0.032 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.279 1.338 2.475 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.343 0.229 4.589 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.543 -0.049 5.358 1.00 0.00 C ATOM 1080 C GLN A 70 -9.194 -1.347 4.877 1.00 0.00 C ATOM 1081 O GLN A 70 -9.637 -2.161 5.686 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.528 1.119 5.280 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.009 2.328 6.062 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.281 2.170 7.559 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.405 2.259 8.025 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.192 1.932 8.284 1.00 0.00 N ATOM 0 H GLN A 70 -7.241 1.200 4.294 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.259 -0.173 6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.687 1.396 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.495 0.811 5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.938 2.442 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.488 3.236 5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.281 1.870 7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.268 1.812 9.294 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.229 -1.502 3.562 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.818 -2.688 2.963 1.00 0.00 C ATOM 1097 C GLU A 71 -9.016 -3.932 3.351 1.00 0.00 C ATOM 1098 O GLU A 71 -9.575 -4.898 3.869 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.909 -2.546 1.442 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.648 -1.264 1.054 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.163 -1.476 1.075 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.613 -2.270 1.929 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.837 -0.840 0.237 1.00 0.00 O ATOM 0 H GLU A 71 -8.859 -0.826 2.894 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.832 -2.800 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.907 -2.536 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.426 -3.409 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.380 -0.463 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.335 -0.947 0.059 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.720 -3.868 3.086 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.836 -4.977 3.401 1.00 0.00 C ATOM 1112 C LEU A 72 -7.096 -5.439 4.836 1.00 0.00 C ATOM 1113 O LEU A 72 -7.031 -6.632 5.129 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.379 -4.594 3.133 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.397 -5.757 2.978 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.375 -5.469 1.877 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.725 -6.088 4.312 1.00 0.00 C ATOM 0 H LEU A 72 -7.260 -3.065 2.656 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.043 -5.826 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.344 -3.991 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.035 -3.960 3.950 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.958 -6.640 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.689 -6.311 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.893 -5.321 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.814 -4.569 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.032 -6.918 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.179 -5.215 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.484 -6.367 5.043 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.386 -4.471 5.692 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.657 -4.764 7.089 1.00 0.00 C ATOM 1131 C LEU A 73 -8.943 -5.586 7.194 1.00 0.00 C ATOM 1132 O LEU A 73 -8.977 -6.606 7.881 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.683 -3.474 7.912 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.333 -2.783 8.119 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.522 -1.357 8.642 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.426 -3.612 9.029 1.00 0.00 C ATOM 0 H LEU A 73 -7.439 -3.483 5.445 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.856 -5.370 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.358 -2.770 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.107 -3.699 8.890 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.836 -2.708 7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.548 -0.888 8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.103 -0.780 7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.050 -1.386 9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.474 -3.098 9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.905 -3.741 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.252 -4.589 8.577 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.968 -5.112 6.503 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.253 -5.790 6.509 1.00 0.00 C ATOM 1150 C HIS A 74 -11.180 -7.035 5.623 1.00 0.00 C ATOM 1151 O HIS A 74 -12.153 -7.780 5.511 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.374 -4.834 6.097 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.021 -4.111 7.254 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.373 -4.208 7.537 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.489 -3.280 8.196 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.631 -3.465 8.603 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.462 -2.890 9.009 1.00 0.00 N ATOM 0 H HIS A 74 -9.935 -4.266 5.935 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.490 -6.120 7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.972 -4.098 5.401 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.138 -5.396 5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.451 -2.989 8.268 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.597 -3.337 9.069 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.354 -2.263 9.807 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.018 -7.224 5.017 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.805 -8.366 4.145 1.00 0.00 C ATOM 1167 C HIS A 75 -10.439 -8.094 2.779 1.00 0.00 C ATOM 1168 O HIS A 75 -10.543 -8.996 1.948 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.325 -9.650 4.795 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.011 -9.763 6.267 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -10.907 -10.281 7.187 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -8.893 -9.420 6.970 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.343 -10.246 8.385 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.096 -9.712 8.249 1.00 0.00 N ATOM 0 H HIS A 75 -9.213 -6.605 5.113 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.737 -8.514 3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.405 -9.702 4.659 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.897 -10.507 4.276 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.995 -8.985 6.556 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.792 -10.582 9.308 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.429 -9.562 9.006 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.847 -6.848 2.589 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.468 -6.446 1.339 1.00 0.00 C ATOM 1184 C GLN A 76 -10.407 -6.278 0.249 1.00 0.00 C ATOM 1185 O GLN A 76 -10.310 -5.219 -0.369 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.280 -5.162 1.518 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.595 -5.441 2.247 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.705 -5.802 1.258 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.561 -5.682 0.053 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.818 -6.249 1.833 1.00 0.00 N ATOM 0 H GLN A 76 -10.759 -6.103 3.280 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.157 -7.231 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.696 -4.434 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.487 -4.720 0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.456 -6.257 2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.888 -4.564 2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.872 -6.325 2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.617 -6.516 1.258 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.639 -7.338 0.047 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.589 -7.321 -0.957 1.00 0.00 C ATOM 1201 C TRP A 77 -9.184 -6.769 -2.254 1.00 0.00 C ATOM 1202 O TRP A 77 -8.652 -5.822 -2.832 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.970 -8.709 -1.127 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.171 -9.632 0.077 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -9.085 -10.600 0.231 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.399 -9.634 1.296 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.959 -11.223 1.456 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.902 -10.617 2.124 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.313 -8.832 1.687 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.381 -10.890 3.395 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.803 -9.117 2.960 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.298 -10.103 3.805 1.00 0.00 C ATOM 0 H TRP A 77 -9.723 -8.215 0.562 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.769 -6.673 -0.646 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.400 -9.182 -2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.902 -8.599 -1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.827 -10.860 -0.510 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.536 -11.988 1.807 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.904 -8.057 1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.792 -11.665 4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.967 -8.530 3.309 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.849 -10.262 4.774 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.280 -7.384 -2.673 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.953 -6.966 -3.891 1.00 0.00 C ATOM 1225 C ASP A 78 -10.960 -5.438 -3.967 1.00 0.00 C ATOM 1226 O ASP A 78 -10.718 -4.864 -5.028 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.406 -7.446 -3.910 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.940 -7.836 -5.290 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.150 -8.426 -6.058 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -14.126 -7.536 -5.545 1.00 0.00 O ATOM 0 H ASP A 78 -10.719 -8.168 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.418 -7.399 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.498 -8.305 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.039 -6.658 -3.502 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.238 -4.822 -2.828 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.279 -3.371 -2.751 1.00 0.00 C ATOM 1237 C ALA A 79 -9.855 -2.820 -2.844 1.00 0.00 C ATOM 1238 O ALA A 79 -9.583 -1.924 -3.642 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.986 -2.947 -1.462 1.00 0.00 C ATOM 0 H ALA A 79 -11.437 -5.301 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.847 -2.958 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.016 -1.859 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.003 -3.339 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.443 -3.340 -0.603 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.983 -3.378 -2.017 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.594 -2.953 -1.996 1.00 0.00 C ATOM 1247 C ALA A 80 -7.107 -2.746 -3.431 1.00 0.00 C ATOM 1248 O ALA A 80 -6.578 -1.687 -3.764 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.756 -3.986 -1.239 1.00 0.00 C ATOM 0 H ALA A 80 -9.212 -4.121 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.491 -2.002 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.714 -3.668 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.124 -4.075 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.833 -4.952 -1.737 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.302 -3.775 -4.243 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.889 -3.719 -5.635 1.00 0.00 C ATOM 1257 C ASP A 81 -7.590 -2.546 -6.324 1.00 0.00 C ATOM 1258 O ASP A 81 -6.942 -1.723 -6.968 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.274 -5.001 -6.376 1.00 0.00 C ATOM 1260 CG ASP A 81 -7.145 -4.931 -7.899 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -8.089 -4.400 -8.524 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.107 -5.410 -8.403 1.00 0.00 O ATOM 0 H ASP A 81 -7.741 -4.652 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.806 -3.599 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.649 -5.816 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.304 -5.252 -6.125 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.904 -2.507 -6.164 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.700 -1.449 -6.762 1.00 0.00 C ATOM 1269 C ASP A 82 -8.990 -0.109 -6.564 1.00 0.00 C ATOM 1270 O ASP A 82 -8.624 0.554 -7.534 1.00 0.00 O ATOM 1271 CB ASP A 82 -11.078 -1.356 -6.104 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.230 -1.035 -7.057 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.072 -1.335 -8.260 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -13.244 -0.498 -6.562 1.00 0.00 O ATOM 0 H ASP A 82 -9.438 -3.191 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.822 -1.677 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.291 -2.302 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.043 -0.590 -5.330 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.816 0.251 -5.301 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.156 1.501 -4.963 1.00 0.00 C ATOM 1281 C ILE A 83 -6.750 1.509 -5.565 1.00 0.00 C ATOM 1282 O ILE A 83 -6.376 2.450 -6.264 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.178 1.726 -3.449 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.613 1.851 -2.934 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.323 2.934 -3.062 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.803 1.054 -1.642 1.00 0.00 C ATOM 0 H ILE A 83 -9.121 -0.301 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.693 2.345 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.738 0.853 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.849 2.900 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.308 1.492 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.356 3.072 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.293 2.766 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.710 3.826 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.832 1.160 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.589 0.002 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.124 1.432 -0.878 1.00 0.00 H new ATOM 1298 N HIS A 84 -6.009 0.450 -5.273 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.652 0.324 -5.778 1.00 0.00 C ATOM 1300 C HIS A 84 -4.607 0.762 -7.243 1.00 0.00 C ATOM 1301 O HIS A 84 -3.886 1.695 -7.594 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.124 -1.096 -5.567 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.006 -1.482 -6.506 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.028 -2.641 -7.261 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -1.835 -0.850 -6.804 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -1.914 -2.695 -7.977 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.176 -1.584 -7.692 1.00 0.00 N ATOM 0 H HIS A 84 -6.322 -0.328 -4.693 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.989 0.983 -5.218 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.772 -1.193 -4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.947 -1.800 -5.689 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.775 -3.336 -7.266 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.500 0.089 -6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.639 -3.481 -8.665 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.386 0.067 -8.059 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.443 0.373 -9.479 1.00 0.00 C ATOM 1317 C ARG A 85 -5.637 1.876 -9.691 1.00 0.00 C ATOM 1318 O ARG A 85 -4.893 2.500 -10.446 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.587 -0.383 -10.159 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.227 -1.856 -10.360 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.288 -2.033 -11.555 1.00 0.00 C ATOM 1322 NE ARG A 85 -5.123 -3.471 -11.861 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.977 -4.183 -12.610 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -7.061 -3.594 -13.133 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -5.747 -5.484 -12.835 1.00 0.00 N ATOM 0 H ARG A 85 -5.982 -0.706 -7.765 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.499 0.059 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.490 -0.305 -9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.809 0.076 -11.123 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.752 -2.244 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.135 -2.438 -10.517 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.690 -1.512 -12.424 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.318 -1.586 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.308 -3.951 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.236 -2.604 -12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.711 -4.136 -13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.922 -5.932 -12.436 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.397 -6.026 -13.405 1.00 0.00 H new ATOM 1339 N SER A 86 -6.639 2.413 -9.011 1.00 0.00 N ATOM 1340 CA SER A 86 -6.940 3.830 -9.116 1.00 0.00 C ATOM 1341 C SER A 86 -5.658 4.650 -8.957 1.00 0.00 C ATOM 1342 O SER A 86 -5.433 5.607 -9.696 1.00 0.00 O ATOM 1343 CB SER A 86 -7.973 4.253 -8.070 1.00 0.00 C ATOM 1344 OG SER A 86 -9.172 3.489 -8.165 1.00 0.00 O ATOM 0 H SER A 86 -7.253 1.892 -8.385 1.00 0.00 H new ATOM 0 HA SER A 86 -7.364 4.017 -10.102 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.548 4.138 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.206 5.310 -8.197 1.00 0.00 H new ATOM 0 HG SER A 86 -9.003 2.575 -7.854 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.850 4.245 -7.988 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.597 4.930 -7.722 1.00 0.00 C ATOM 1352 C LEU A 87 -2.619 4.655 -8.866 1.00 0.00 C ATOM 1353 O LEU A 87 -1.807 5.513 -9.213 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.056 4.543 -6.345 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.716 5.230 -5.148 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.289 4.572 -3.834 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.434 6.734 -5.154 1.00 0.00 C ATOM 0 H LEU A 87 -5.039 3.450 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.752 6.008 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.163 3.465 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.988 4.762 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.795 5.105 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.772 5.079 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.583 3.522 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.207 4.645 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.915 7.198 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.358 6.903 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.828 7.174 -6.070 1.00 0.00 H new ATOM 1369 N MET A 88 -2.727 3.457 -9.421 1.00 0.00 N ATOM 1370 CA MET A 88 -1.862 3.059 -10.518 1.00 0.00 C ATOM 1371 C MET A 88 -2.300 3.718 -11.828 1.00 0.00 C ATOM 1372 O MET A 88 -1.597 3.636 -12.834 1.00 0.00 O ATOM 1373 CB MET A 88 -1.902 1.537 -10.674 1.00 0.00 C ATOM 1374 CG MET A 88 -0.754 0.878 -9.908 1.00 0.00 C ATOM 1375 SD MET A 88 0.393 0.130 -11.053 1.00 0.00 S ATOM 1376 CE MET A 88 1.921 0.855 -10.480 1.00 0.00 C ATOM 0 H MET A 88 -3.401 2.748 -9.131 1.00 0.00 H new ATOM 0 HA MET A 88 -0.846 3.383 -10.291 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.855 1.155 -10.308 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.838 1.274 -11.730 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.240 1.620 -9.298 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.146 0.122 -9.227 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.632 0.905 -11.305 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.729 1.860 -10.105 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.337 0.243 -9.680 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.460 4.356 -11.774 1.00 0.00 N ATOM 1387 CA VAL A 89 -4.000 5.028 -12.943 1.00 0.00 C ATOM 1388 C VAL A 89 -3.313 6.385 -13.108 1.00 0.00 C ATOM 1389 O VAL A 89 -2.752 6.677 -14.164 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.522 5.139 -12.827 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.091 6.038 -13.926 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.176 3.756 -12.855 1.00 0.00 C ATOM 0 H VAL A 89 -4.041 4.422 -10.938 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.798 4.449 -13.844 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.753 5.599 -11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.174 6.100 -13.821 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.660 7.036 -13.839 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.845 5.620 -14.902 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.257 3.863 -12.771 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.933 3.257 -13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.805 3.161 -12.021 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.378 7.179 -12.050 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.769 8.498 -12.064 1.00 0.00 C ATOM 1404 C ASP A 90 -1.375 8.418 -11.440 1.00 0.00 C ATOM 1405 O ASP A 90 -0.371 8.571 -12.134 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.595 9.495 -11.249 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.857 10.011 -11.945 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.438 9.224 -12.723 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.211 11.181 -11.684 1.00 0.00 O ATOM 0 H ASP A 90 -3.844 6.934 -11.176 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.717 8.834 -13.100 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.883 9.023 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.963 10.347 -10.997 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.357 8.179 -10.137 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.102 8.077 -9.412 1.00 0.00 C ATOM 1416 C HIS A 91 0.481 6.674 -9.590 1.00 0.00 C ATOM 1417 O HIS A 91 0.608 5.923 -8.623 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.292 8.458 -7.942 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.309 9.551 -7.717 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -0.989 10.897 -7.776 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.642 9.484 -7.435 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.088 11.598 -7.537 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.110 10.721 -7.325 1.00 0.00 N ATOM 0 H HIS A 91 -2.192 8.053 -9.564 1.00 0.00 H new ATOM 0 HA HIS A 91 0.618 8.786 -9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.596 7.572 -7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.667 8.778 -7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.219 8.578 -7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.161 12.675 -7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.076 10.974 -7.116 1.00 0.00 H new ATOM 1431 N VAL A 92 0.819 6.361 -10.832 1.00 0.00 N ATOM 1432 CA VAL A 92 1.385 5.061 -11.149 1.00 0.00 C ATOM 1433 C VAL A 92 2.884 5.075 -10.844 1.00 0.00 C ATOM 1434 O VAL A 92 3.408 4.137 -10.245 1.00 0.00 O ATOM 1435 CB VAL A 92 1.074 4.695 -12.602 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.050 5.379 -13.561 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.084 3.178 -12.799 1.00 0.00 C ATOM 0 H VAL A 92 0.712 6.986 -11.631 1.00 0.00 H new ATOM 0 HA VAL A 92 0.934 4.286 -10.529 1.00 0.00 H new ATOM 0 HB VAL A 92 0.071 5.056 -12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.807 5.102 -14.587 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.972 6.460 -13.449 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.068 5.063 -13.331 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.860 2.945 -13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.067 2.784 -12.542 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.332 2.723 -12.155 1.00 0.00 H new ATOM 1447 N THR A 93 3.533 6.149 -11.270 1.00 0.00 N ATOM 1448 CA THR A 93 4.961 6.296 -11.050 1.00 0.00 C ATOM 1449 C THR A 93 5.251 6.532 -9.566 1.00 0.00 C ATOM 1450 O THR A 93 6.042 5.810 -8.962 1.00 0.00 O ATOM 1451 CB THR A 93 5.465 7.423 -11.954 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.959 6.749 -13.108 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.694 8.130 -11.380 1.00 0.00 C ATOM 0 H THR A 93 3.096 6.925 -11.766 1.00 0.00 H new ATOM 0 HA THR A 93 5.497 5.384 -11.313 1.00 0.00 H new ATOM 0 HB THR A 93 4.667 8.150 -12.106 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.304 7.406 -13.748 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.010 8.920 -12.061 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.445 8.563 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.504 7.411 -11.258 1.00 0.00 H new ATOM 1461 N GLU A 94 4.593 7.546 -9.022 1.00 0.00 N ATOM 1462 CA GLU A 94 4.770 7.886 -7.621 1.00 0.00 C ATOM 1463 C GLU A 94 4.757 6.620 -6.762 1.00 0.00 C ATOM 1464 O GLU A 94 5.681 6.383 -5.985 1.00 0.00 O ATOM 1465 CB GLU A 94 3.698 8.874 -7.157 1.00 0.00 C ATOM 1466 CG GLU A 94 4.178 10.318 -7.317 1.00 0.00 C ATOM 1467 CD GLU A 94 5.329 10.623 -6.357 1.00 0.00 C ATOM 1468 OE1 GLU A 94 6.485 10.370 -6.759 1.00 0.00 O ATOM 1469 OE2 GLU A 94 5.028 11.102 -5.243 1.00 0.00 O ATOM 0 H GLU A 94 3.937 8.142 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 94 5.739 8.371 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.786 8.724 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.450 8.683 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.502 10.485 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.351 11.003 -7.128 1.00 0.00 H new ATOM 1476 N VAL A 95 3.700 5.840 -6.930 1.00 0.00 N ATOM 1477 CA VAL A 95 3.555 4.604 -6.180 1.00 0.00 C ATOM 1478 C VAL A 95 4.656 3.627 -6.596 1.00 0.00 C ATOM 1479 O VAL A 95 5.146 2.852 -5.776 1.00 0.00 O ATOM 1480 CB VAL A 95 2.147 4.036 -6.374 1.00 0.00 C ATOM 1481 CG1 VAL A 95 1.083 5.083 -6.042 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.964 3.499 -7.795 1.00 0.00 C ATOM 0 H VAL A 95 2.935 6.040 -7.575 1.00 0.00 H new ATOM 0 HA VAL A 95 3.672 4.790 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 95 2.023 3.203 -5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.092 4.654 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.193 5.397 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.205 5.946 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.955 3.101 -7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.117 4.306 -8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.689 2.707 -7.981 1.00 0.00 H new ATOM 1492 N SER A 96 5.013 3.696 -7.870 1.00 0.00 N ATOM 1493 CA SER A 96 6.048 2.827 -8.405 1.00 0.00 C ATOM 1494 C SER A 96 7.287 2.876 -7.508 1.00 0.00 C ATOM 1495 O SER A 96 7.395 3.739 -6.639 1.00 0.00 O ATOM 1496 CB SER A 96 6.413 3.223 -9.837 1.00 0.00 C ATOM 1497 OG SER A 96 7.492 4.153 -9.875 1.00 0.00 O ATOM 0 H SER A 96 4.604 4.340 -8.547 1.00 0.00 H new ATOM 0 HA SER A 96 5.663 1.808 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.683 2.331 -10.402 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.542 3.658 -10.326 1.00 0.00 H new ATOM 0 HG SER A 96 7.346 4.851 -9.203 1.00 0.00 H new ATOM 1503 N GLN A 97 8.191 1.938 -7.751 1.00 0.00 N ATOM 1504 CA GLN A 97 9.418 1.863 -6.977 1.00 0.00 C ATOM 1505 C GLN A 97 9.157 1.179 -5.633 1.00 0.00 C ATOM 1506 O GLN A 97 10.072 1.017 -4.827 1.00 0.00 O ATOM 1507 CB GLN A 97 10.025 3.253 -6.776 1.00 0.00 C ATOM 1508 CG GLN A 97 11.538 3.228 -7.006 1.00 0.00 C ATOM 1509 CD GLN A 97 12.135 4.631 -6.871 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.885 4.929 -5.956 1.00 0.00 O ATOM 1511 NE2 GLN A 97 11.763 5.472 -7.832 1.00 0.00 N ATOM 0 H GLN A 97 8.098 1.224 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 97 10.139 1.264 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.560 3.960 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.813 3.604 -5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.008 2.558 -6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.752 2.831 -7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.132 5.157 -8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.109 6.432 -7.832 1.00 0.00 H new ATOM 1520 N TRP A 98 7.904 0.796 -5.434 1.00 0.00 N ATOM 1521 CA TRP A 98 7.511 0.134 -4.202 1.00 0.00 C ATOM 1522 C TRP A 98 6.127 -0.480 -4.416 1.00 0.00 C ATOM 1523 O TRP A 98 5.880 -1.618 -4.017 1.00 0.00 O ATOM 1524 CB TRP A 98 7.559 1.103 -3.019 1.00 0.00 C ATOM 1525 CG TRP A 98 6.643 2.319 -3.173 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.935 3.508 -3.719 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.266 2.417 -2.753 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.852 4.362 -3.681 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.804 3.677 -3.075 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.438 1.473 -2.122 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.500 4.108 -2.805 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.137 1.919 -1.859 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.657 3.184 -2.177 1.00 0.00 C ATOM 0 H TRP A 98 7.148 0.932 -6.105 1.00 0.00 H new ATOM 0 HA TRP A 98 8.211 -0.664 -3.953 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.283 0.566 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.584 1.448 -2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.897 3.765 -4.136 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.825 5.319 -4.032 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.778 0.482 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.163 5.100 -3.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.459 1.232 -1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.638 3.453 -1.941 1.00 0.00 H new ATOM 1544 N MET A 99 5.260 0.299 -5.045 1.00 0.00 N ATOM 1545 CA MET A 99 3.906 -0.154 -5.317 1.00 0.00 C ATOM 1546 C MET A 99 3.886 -1.644 -5.664 1.00 0.00 C ATOM 1547 O MET A 99 2.926 -2.346 -5.350 1.00 0.00 O ATOM 1548 CB MET A 99 3.323 0.649 -6.481 1.00 0.00 C ATOM 1549 CG MET A 99 1.960 0.094 -6.902 1.00 0.00 C ATOM 1550 SD MET A 99 0.921 -0.125 -5.468 1.00 0.00 S ATOM 1551 CE MET A 99 0.236 1.518 -5.328 1.00 0.00 C ATOM 0 H MET A 99 5.468 1.242 -5.374 1.00 0.00 H new ATOM 0 HA MET A 99 3.305 -0.000 -4.421 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.220 1.695 -6.191 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.009 0.619 -7.328 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.483 0.775 -7.607 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.089 -0.858 -7.417 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.774 1.458 -4.923 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.859 2.116 -4.663 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.205 1.984 -6.313 1.00 0.00 H new ATOM 1561 N VAL A 100 4.958 -2.084 -6.308 1.00 0.00 N ATOM 1562 CA VAL A 100 5.076 -3.477 -6.701 1.00 0.00 C ATOM 1563 C VAL A 100 4.906 -4.367 -5.467 1.00 0.00 C ATOM 1564 O VAL A 100 4.101 -5.297 -5.475 1.00 0.00 O ATOM 1565 CB VAL A 100 6.404 -3.706 -7.425 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.466 -2.901 -8.724 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.589 -3.373 -6.515 1.00 0.00 C ATOM 0 H VAL A 100 5.753 -1.499 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 100 4.288 -3.743 -7.405 1.00 0.00 H new ATOM 0 HB VAL A 100 6.467 -4.763 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.420 -3.082 -9.219 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.652 -3.208 -9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.370 -1.839 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.521 -3.544 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.532 -2.328 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.559 -4.010 -5.631 1.00 0.00 H new ATOM 1577 N GLY A 101 5.677 -4.050 -4.438 1.00 0.00 N ATOM 1578 CA GLY A 101 5.622 -4.808 -3.200 1.00 0.00 C ATOM 1579 C GLY A 101 4.183 -4.925 -2.692 1.00 0.00 C ATOM 1580 O GLY A 101 3.660 -6.029 -2.547 1.00 0.00 O ATOM 0 H GLY A 101 6.344 -3.278 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.037 -5.803 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.240 -4.323 -2.444 1.00 0.00 H new ATOM 1584 N VAL A 102 3.585 -3.771 -2.435 1.00 0.00 N ATOM 1585 CA VAL A 102 2.217 -3.730 -1.946 1.00 0.00 C ATOM 1586 C VAL A 102 1.368 -4.729 -2.735 1.00 0.00 C ATOM 1587 O VAL A 102 0.720 -5.596 -2.151 1.00 0.00 O ATOM 1588 CB VAL A 102 1.679 -2.300 -2.018 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.210 -2.245 -1.593 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.530 -1.351 -1.172 1.00 0.00 C ATOM 0 H VAL A 102 4.022 -2.858 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 102 2.177 -4.026 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 102 1.740 -1.971 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.148 -1.217 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.384 -2.875 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.114 -2.603 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.126 -0.341 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.515 -1.678 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.556 -1.357 -1.539 1.00 0.00 H new ATOM 1600 N LYS A 103 1.399 -4.573 -4.051 1.00 0.00 N ATOM 1601 CA LYS A 103 0.640 -5.451 -4.926 1.00 0.00 C ATOM 1602 C LYS A 103 0.784 -6.895 -4.442 1.00 0.00 C ATOM 1603 O LYS A 103 -0.206 -7.540 -4.101 1.00 0.00 O ATOM 1604 CB LYS A 103 1.058 -5.246 -6.383 1.00 0.00 C ATOM 1605 CG LYS A 103 0.381 -6.269 -7.297 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.247 -5.587 -8.514 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.067 -6.437 -9.773 1.00 0.00 C ATOM 1608 NZ LYS A 103 -0.882 -5.897 -10.884 1.00 0.00 N ATOM 0 H LYS A 103 1.937 -3.852 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.421 -5.205 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.795 -4.238 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.141 -5.335 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.112 -7.007 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.387 -6.807 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.309 -5.419 -8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.210 -4.609 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.984 -6.454 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.358 -7.467 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.748 -6.486 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.886 -5.903 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.585 -4.922 -11.090 1.00 0.00 H new ATOM 1622 N ARG A 104 2.024 -7.360 -4.428 1.00 0.00 N ATOM 1623 CA ARG A 104 2.310 -8.716 -3.992 1.00 0.00 C ATOM 1624 C ARG A 104 1.758 -8.948 -2.584 1.00 0.00 C ATOM 1625 O ARG A 104 1.036 -9.916 -2.348 1.00 0.00 O ATOM 1626 CB ARG A 104 3.815 -8.990 -3.994 1.00 0.00 C ATOM 1627 CG ARG A 104 4.114 -10.415 -3.524 1.00 0.00 C ATOM 1628 CD ARG A 104 3.730 -11.437 -4.596 1.00 0.00 C ATOM 1629 NE ARG A 104 4.800 -11.528 -5.615 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.908 -12.525 -6.504 1.00 0.00 C ATOM 1631 NH1 ARG A 104 4.012 -13.521 -6.506 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.912 -12.525 -7.392 1.00 0.00 N ATOM 0 H ARG A 104 2.843 -6.822 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 104 1.828 -9.398 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.214 -8.843 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.319 -8.275 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.174 -10.510 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.565 -10.622 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.568 -12.413 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.791 -11.146 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 104 5.499 -10.785 -5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.247 -13.521 -5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.094 -14.280 -7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.594 -11.766 -7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.994 -13.284 -8.069 1.00 0.00 H new ATOM 1646 N LEU A 105 2.119 -8.044 -1.685 1.00 0.00 N ATOM 1647 CA LEU A 105 1.669 -8.139 -0.307 1.00 0.00 C ATOM 1648 C LEU A 105 0.185 -8.511 -0.284 1.00 0.00 C ATOM 1649 O LEU A 105 -0.194 -9.532 0.289 1.00 0.00 O ATOM 1650 CB LEU A 105 1.991 -6.849 0.451 1.00 0.00 C ATOM 1651 CG LEU A 105 1.815 -6.902 1.970 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.116 -6.533 2.686 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.645 -6.024 2.418 1.00 0.00 C ATOM 0 H LEU A 105 2.718 -7.243 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 105 2.205 -8.932 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.023 -6.571 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.358 -6.053 0.059 1.00 0.00 H new ATOM 0 HG LEU A 105 1.573 -7.927 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.963 -6.578 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.900 -7.234 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.413 -5.523 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.542 -6.080 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.832 -4.991 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.274 -6.374 1.948 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.615 -7.662 -0.913 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.049 -7.889 -0.972 1.00 0.00 C ATOM 1667 C ILE A 106 -2.316 -9.374 -1.227 1.00 0.00 C ATOM 1668 O ILE A 106 -2.896 -10.058 -0.385 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.697 -6.962 -2.002 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.521 -5.494 -1.606 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.167 -7.325 -2.219 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.623 -4.580 -2.828 1.00 0.00 C ATOM 0 H ILE A 106 -0.297 -6.816 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.513 -7.640 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.187 -7.102 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.282 -5.217 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.553 -5.357 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.603 -6.651 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.239 -8.351 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.708 -7.232 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.494 -3.543 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.846 -4.844 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.602 -4.701 -3.292 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.880 -9.829 -2.393 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.065 -11.220 -2.770 1.00 0.00 C ATOM 1686 C ALA A 107 -1.735 -12.116 -1.574 1.00 0.00 C ATOM 1687 O ALA A 107 -2.549 -12.947 -1.174 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.200 -11.537 -3.992 1.00 0.00 C ATOM 0 H ALA A 107 -1.399 -9.259 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.102 -11.408 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.339 -12.580 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.493 -10.894 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.151 -11.363 -3.751 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.540 -11.916 -1.037 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.093 -12.696 0.104 1.00 0.00 C ATOM 1696 C GLU A 108 -1.137 -12.648 1.222 1.00 0.00 C ATOM 1697 O GLU A 108 -1.739 -13.666 1.558 1.00 0.00 O ATOM 1698 CB GLU A 108 1.267 -12.206 0.604 1.00 0.00 C ATOM 1699 CG GLU A 108 2.354 -12.440 -0.447 1.00 0.00 C ATOM 1700 CD GLU A 108 2.352 -13.894 -0.924 1.00 0.00 C ATOM 1701 OE1 GLU A 108 1.947 -14.756 -0.114 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.755 -14.111 -2.087 1.00 0.00 O ATOM 0 H GLU A 108 0.132 -11.225 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 108 0.025 -13.732 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.210 -11.144 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.529 -12.726 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.193 -11.775 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.329 -12.192 -0.028 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.321 -11.453 1.766 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.281 -11.259 2.838 1.00 0.00 C ATOM 1711 C LYS A 109 -3.560 -12.036 2.518 1.00 0.00 C ATOM 1712 O LYS A 109 -4.074 -12.768 3.363 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.514 -9.767 3.086 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.236 -9.089 3.584 1.00 0.00 C ATOM 1715 CD LYS A 109 -0.882 -9.556 4.997 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.011 -9.238 5.979 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.615 -10.487 6.496 1.00 0.00 N ATOM 0 H LYS A 109 -0.821 -10.610 1.484 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.891 -11.657 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.848 -9.289 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.309 -9.636 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.413 -9.314 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.368 -8.007 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.691 -10.629 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.037 -9.070 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.624 -8.644 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.773 -8.636 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.608 -10.313 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.569 -11.224 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.093 -10.803 7.338 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.038 -11.849 1.296 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.246 -12.523 0.854 1.00 0.00 C ATOM 1733 C LYS A 110 -5.048 -14.037 0.956 1.00 0.00 C ATOM 1734 O LYS A 110 -5.752 -14.710 1.708 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.644 -12.048 -0.545 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.949 -12.707 -0.998 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.335 -12.248 -2.405 1.00 0.00 C ATOM 1738 CE LYS A 110 -7.134 -13.373 -3.423 1.00 0.00 C ATOM 1739 NZ LYS A 110 -6.186 -12.953 -4.479 1.00 0.00 N ATOM 0 H LYS A 110 -3.610 -11.240 0.599 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.083 -12.266 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.761 -10.964 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.849 -12.283 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.837 -13.791 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.748 -12.459 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.377 -11.927 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.733 -11.385 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.756 -14.263 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.091 -13.642 -3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.061 -13.728 -5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.561 -12.117 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.268 -12.719 -4.049 1.00 0.00 H new ATOM 1753 N SER A 111 -4.086 -14.528 0.189 1.00 0.00 N ATOM 1754 CA SER A 111 -3.786 -15.950 0.184 1.00 0.00 C ATOM 1755 C SER A 111 -3.787 -16.491 1.615 1.00 0.00 C ATOM 1756 O SER A 111 -4.422 -17.505 1.898 1.00 0.00 O ATOM 1757 CB SER A 111 -2.438 -16.226 -0.486 1.00 0.00 C ATOM 1758 OG SER A 111 -2.201 -17.621 -0.653 1.00 0.00 O ATOM 0 H SER A 111 -3.504 -13.967 -0.433 1.00 0.00 H new ATOM 0 HA SER A 111 -4.559 -16.460 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.409 -15.734 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.639 -15.792 0.115 1.00 0.00 H new ATOM 0 HG SER A 111 -1.332 -17.756 -1.085 1.00 0.00 H new ATOM 1764 N LEU A 112 -3.069 -15.789 2.480 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.980 -16.186 3.874 1.00 0.00 C ATOM 1766 C LEU A 112 -4.387 -16.441 4.419 1.00 0.00 C ATOM 1767 O LEU A 112 -4.707 -17.558 4.823 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.189 -15.150 4.676 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.759 -14.884 4.202 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.287 -13.495 4.634 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.191 -15.985 4.678 1.00 0.00 C ATOM 0 H LEU A 112 -2.544 -14.948 2.242 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.427 -17.120 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.738 -14.209 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.151 -15.476 5.715 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.753 -14.902 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.732 -13.332 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.943 -12.738 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.313 -13.424 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.201 -15.771 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.186 -16.024 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.136 -16.945 4.279 1.00 0.00 H new ATOM 1783 N SER A 113 -5.190 -15.387 4.412 1.00 0.00 N ATOM 1784 CA SER A 113 -6.555 -15.483 4.899 1.00 0.00 C ATOM 1785 C SER A 113 -7.240 -16.713 4.300 1.00 0.00 C ATOM 1786 O SER A 113 -7.666 -17.607 5.028 1.00 0.00 O ATOM 1787 CB SER A 113 -7.349 -14.218 4.567 1.00 0.00 C ATOM 1788 OG SER A 113 -8.416 -14.000 5.486 1.00 0.00 O ATOM 0 H SER A 113 -4.921 -14.462 4.077 1.00 0.00 H new ATOM 0 HA SER A 113 -6.524 -15.585 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.680 -13.357 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.751 -14.297 3.557 1.00 0.00 H new ATOM 0 HG SER A 113 -8.897 -13.182 5.241 1.00 0.00 H new ATOM 1794 N GLY A 114 -7.325 -16.717 2.977 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.950 -17.822 2.271 1.00 0.00 C ATOM 1796 C GLY A 114 -9.392 -17.482 1.887 1.00 0.00 C ATOM 1797 O GLY A 114 -10.313 -17.688 2.675 1.00 0.00 O ATOM 0 H GLY A 114 -6.971 -15.972 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.377 -18.056 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.937 -18.713 2.899 1.00 0.00 H new ATOM 1801 N PRO A 115 -9.545 -16.952 0.644 1.00 0.00 N ATOM 1802 CA PRO A 115 -10.859 -16.580 0.146 1.00 0.00 C ATOM 1803 C PRO A 115 -11.667 -17.819 -0.245 1.00 0.00 C ATOM 1804 O PRO A 115 -12.847 -17.925 0.087 1.00 0.00 O ATOM 1805 CB PRO A 115 -10.586 -15.654 -1.028 1.00 0.00 C ATOM 1806 CG PRO A 115 -9.144 -15.908 -1.434 1.00 0.00 C ATOM 1807 CD PRO A 115 -8.476 -16.693 -0.316 1.00 0.00 C ATOM 0 HA PRO A 115 -11.469 -16.079 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -11.266 -15.860 -1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -10.734 -14.612 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -9.103 -16.466 -2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -8.623 -14.965 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -8.044 -17.622 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -7.665 -16.124 0.138 1.00 0.00 H new ATOM 1815 N SER A 116 -11.000 -18.725 -0.945 1.00 0.00 N ATOM 1816 CA SER A 116 -11.642 -19.952 -1.384 1.00 0.00 C ATOM 1817 C SER A 116 -10.998 -21.156 -0.694 1.00 0.00 C ATOM 1818 O SER A 116 -9.806 -21.137 -0.390 1.00 0.00 O ATOM 1819 CB SER A 116 -11.558 -20.104 -2.905 1.00 0.00 C ATOM 1820 OG SER A 116 -12.026 -21.377 -3.341 1.00 0.00 O ATOM 0 H SER A 116 -10.022 -18.634 -1.219 1.00 0.00 H new ATOM 0 HA SER A 116 -12.695 -19.904 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.146 -19.319 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.525 -19.968 -3.226 1.00 0.00 H new ATOM 0 HG SER A 116 -11.958 -21.434 -4.317 1.00 0.00 H new ATOM 1826 N SER A 117 -11.815 -22.174 -0.467 1.00 0.00 N ATOM 1827 CA SER A 117 -11.339 -23.384 0.182 1.00 0.00 C ATOM 1828 C SER A 117 -12.205 -24.576 -0.233 1.00 0.00 C ATOM 1829 O SER A 117 -13.427 -24.461 -0.312 1.00 0.00 O ATOM 1830 CB SER A 117 -11.342 -23.231 1.704 1.00 0.00 C ATOM 1831 OG SER A 117 -10.624 -22.074 2.126 1.00 0.00 O ATOM 0 H SER A 117 -12.803 -22.186 -0.721 1.00 0.00 H new ATOM 0 HA SER A 117 -10.312 -23.561 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.370 -23.169 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 117 -10.900 -24.118 2.158 1.00 0.00 H new ATOM 0 HG SER A 117 -10.651 -22.011 3.104 1.00 0.00 H new ATOM 1837 N GLY A 118 -11.538 -25.691 -0.488 1.00 0.00 N ATOM 1838 CA GLY A 118 -12.231 -26.902 -0.892 1.00 0.00 C ATOM 1839 C GLY A 118 -11.261 -27.906 -1.520 1.00 0.00 C ATOM 1840 O GLY A 118 -11.365 -29.108 -1.281 1.00 0.00 O ATOM 0 H GLY A 118 -10.524 -25.782 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.717 -27.353 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.017 -26.655 -1.606 1.00 0.00 H new TER 1844 GLY A 118