USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.49 (180deg=-0.0623) USER MOD Single : A 5 SER OG : rot 150:sc= -0.18 USER MOD Single : A 7 SER OG : rot 180:sc= 0.133 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc=-0.00297 (180deg=-0.0829) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.199 F(o=-1.6,f=-0.2) USER MOD Single : A 28 TYR OH : rot -85:sc= 0.282 USER MOD Single : A 30 SER OG : rot 180:sc= -0.211 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.314 (180deg=-1.74!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 74:sc=-0.00564 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 58 MET CE :methyl 144:sc= -3.14 (180deg=-7.27!) USER MOD Single : A 60 THR OG1 : rot 64:sc= 1.02 USER MOD Single : A 65 GLN : amide:sc= -1.4 K(o=-1.4,f=-13!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.478 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.932 (180deg=0.932) USER MOD Single : A 79 HIS : no HD1:sc= -0.922 X(o=-0.92,f=-0.9) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.162 2.224 -3.495 1.00 0.00 N ATOM 2 CA MET A 1 -16.340 3.037 -4.384 1.00 0.00 C ATOM 3 C MET A 1 -15.020 2.337 -4.693 1.00 0.00 C ATOM 4 O MET A 1 -13.945 2.910 -4.515 1.00 0.00 O ATOM 5 CB MET A 1 -16.069 4.405 -3.753 1.00 0.00 C ATOM 6 CG MET A 1 -15.379 4.325 -2.400 1.00 0.00 C ATOM 7 SD MET A 1 -16.542 4.362 -1.024 1.00 0.00 S ATOM 8 CE MET A 1 -16.162 5.957 -0.304 1.00 0.00 C ATOM 0 H1 MET A 1 -18.095 2.071 -3.928 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.699 1.306 -3.336 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.279 2.714 -2.585 1.00 0.00 H new ATOM 0 HA MET A 1 -16.885 3.177 -5.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.452 4.993 -4.432 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.014 4.937 -3.639 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.792 3.408 -2.350 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.681 5.156 -2.303 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.802 6.127 0.562 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.118 5.976 0.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.335 6.740 -1.042 1.00 0.00 H new ATOM 16 N ALA A 2 -15.109 1.095 -5.158 1.00 0.00 N ATOM 17 CA ALA A 2 -13.922 0.318 -5.494 1.00 0.00 C ATOM 18 C ALA A 2 -13.750 0.203 -7.004 1.00 0.00 C ATOM 19 O ALA A 2 -12.895 0.863 -7.594 1.00 0.00 O ATOM 20 CB ALA A 2 -14.000 -1.064 -4.863 1.00 0.00 C ATOM 0 H ALA A 2 -15.991 0.605 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.052 0.839 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.107 -1.633 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.066 -0.966 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.883 -1.584 -5.235 1.00 0.00 H new ATOM 26 N ARG A 3 -14.570 -0.639 -7.626 1.00 0.00 N ATOM 27 CA ARG A 3 -14.507 -0.841 -9.068 1.00 0.00 C ATOM 28 C ARG A 3 -13.103 -1.256 -9.499 1.00 0.00 C ATOM 29 O ARG A 3 -12.358 -0.462 -10.073 1.00 0.00 O ATOM 30 CB ARG A 3 -14.921 0.436 -9.803 1.00 0.00 C ATOM 31 CG ARG A 3 -16.382 0.805 -9.605 1.00 0.00 C ATOM 32 CD ARG A 3 -16.573 1.692 -8.385 1.00 0.00 C ATOM 33 NE ARG A 3 -15.834 2.947 -8.499 1.00 0.00 N ATOM 34 CZ ARG A 3 -16.238 3.973 -9.240 1.00 0.00 C ATOM 35 NH1 ARG A 3 -17.368 3.893 -9.928 1.00 0.00 N ATOM 36 NH2 ARG A 3 -15.511 5.081 -9.293 1.00 0.00 N ATOM 0 H ARG A 3 -15.285 -1.192 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.200 -1.642 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.297 1.261 -9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.728 0.311 -10.868 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.752 1.320 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.975 -0.102 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.634 1.907 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.245 1.158 -7.493 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.960 3.041 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.930 3.042 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.676 4.682 -10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.641 5.146 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.822 5.868 -9.862 1.00 0.00 H new ATOM 47 N GLY A 4 -12.748 -2.505 -9.216 1.00 0.00 N ATOM 48 CA GLY A 4 -11.434 -3.004 -9.579 1.00 0.00 C ATOM 49 C GLY A 4 -10.428 -2.861 -8.455 1.00 0.00 C ATOM 50 O GLY A 4 -9.867 -1.785 -8.247 1.00 0.00 O ATOM 0 H GLY A 4 -13.347 -3.181 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.513 -4.054 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.074 -2.465 -10.455 1.00 0.00 H new ATOM 54 N SER A 5 -10.199 -3.949 -7.726 1.00 0.00 N ATOM 55 CA SER A 5 -9.258 -3.940 -6.613 1.00 0.00 C ATOM 56 C SER A 5 -9.139 -5.327 -5.991 1.00 0.00 C ATOM 57 O SER A 5 -9.732 -6.290 -6.474 1.00 0.00 O ATOM 58 CB SER A 5 -9.699 -2.929 -5.553 1.00 0.00 C ATOM 59 OG SER A 5 -11.100 -2.989 -5.342 1.00 0.00 O ATOM 0 H SER A 5 -10.653 -4.848 -7.887 1.00 0.00 H new ATOM 0 HA SER A 5 -8.281 -3.649 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.178 -3.129 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.418 -1.923 -5.866 1.00 0.00 H new ATOM 0 HG SER A 5 -11.302 -2.742 -4.415 1.00 0.00 H new ATOM 64 N VAL A 6 -8.366 -5.421 -4.912 1.00 0.00 N ATOM 65 CA VAL A 6 -8.169 -6.690 -4.221 1.00 0.00 C ATOM 66 C VAL A 6 -9.502 -7.356 -3.905 1.00 0.00 C ATOM 67 O VAL A 6 -10.496 -6.683 -3.631 1.00 0.00 O ATOM 68 CB VAL A 6 -7.380 -6.499 -2.912 1.00 0.00 C ATOM 69 CG1 VAL A 6 -5.899 -6.303 -3.204 1.00 0.00 C ATOM 70 CG2 VAL A 6 -7.935 -5.323 -2.123 1.00 0.00 C ATOM 0 H VAL A 6 -7.867 -4.634 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.596 -7.330 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.491 -7.399 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.358 -6.170 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.512 -7.179 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.765 -5.420 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.366 -5.202 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.856 -4.414 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.982 -5.508 -1.882 1.00 0.00 H new ATOM 80 N SER A 7 -9.518 -8.685 -3.945 1.00 0.00 N ATOM 81 CA SER A 7 -10.731 -9.445 -3.666 1.00 0.00 C ATOM 82 C SER A 7 -11.236 -9.161 -2.255 1.00 0.00 C ATOM 83 O SER A 7 -10.565 -8.498 -1.464 1.00 0.00 O ATOM 84 CB SER A 7 -10.470 -10.943 -3.835 1.00 0.00 C ATOM 85 OG SER A 7 -9.224 -11.175 -4.468 1.00 0.00 O ATOM 0 H SER A 7 -8.704 -9.258 -4.168 1.00 0.00 H new ATOM 0 HA SER A 7 -11.497 -9.135 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.482 -11.430 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.270 -11.391 -4.425 1.00 0.00 H new ATOM 0 HG SER A 7 -9.080 -12.140 -4.563 1.00 0.00 H new ATOM 90 N ASP A 8 -12.425 -9.667 -1.947 1.00 0.00 N ATOM 91 CA ASP A 8 -13.022 -9.471 -0.631 1.00 0.00 C ATOM 92 C ASP A 8 -12.078 -9.941 0.471 1.00 0.00 C ATOM 93 O ASP A 8 -11.844 -9.230 1.447 1.00 0.00 O ATOM 94 CB ASP A 8 -14.353 -10.219 -0.534 1.00 0.00 C ATOM 95 CG ASP A 8 -15.547 -9.304 -0.727 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.492 -9.705 -1.438 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.536 -8.189 -0.167 1.00 0.00 O ATOM 0 H ASP A 8 -12.995 -10.216 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.203 -8.404 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.379 -11.008 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.424 -10.704 0.440 1.00 0.00 H new ATOM 101 N GLU A 9 -11.541 -11.147 0.307 1.00 0.00 N ATOM 102 CA GLU A 9 -10.624 -11.713 1.289 1.00 0.00 C ATOM 103 C GLU A 9 -9.487 -10.743 1.594 1.00 0.00 C ATOM 104 O GLU A 9 -9.310 -10.319 2.736 1.00 0.00 O ATOM 105 CB GLU A 9 -10.054 -13.040 0.781 1.00 0.00 C ATOM 106 CG GLU A 9 -10.846 -14.254 1.231 1.00 0.00 C ATOM 107 CD GLU A 9 -12.209 -14.340 0.570 1.00 0.00 C ATOM 108 OE1 GLU A 9 -12.301 -14.942 -0.521 1.00 0.00 O ATOM 109 OE2 GLU A 9 -13.181 -13.805 1.142 1.00 0.00 O ATOM 0 H GLU A 9 -11.725 -11.749 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.182 -11.893 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.024 -13.020 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.025 -13.140 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.279 -15.157 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.973 -14.220 2.313 1.00 0.00 H new ATOM 114 N GLU A 10 -8.719 -10.395 0.566 1.00 0.00 N ATOM 115 CA GLU A 10 -7.599 -9.476 0.726 1.00 0.00 C ATOM 116 C GLU A 10 -8.078 -8.116 1.224 1.00 0.00 C ATOM 117 O GLU A 10 -7.697 -7.671 2.307 1.00 0.00 O ATOM 118 CB GLU A 10 -6.853 -9.311 -0.600 1.00 0.00 C ATOM 119 CG GLU A 10 -5.554 -10.097 -0.669 1.00 0.00 C ATOM 120 CD GLU A 10 -5.718 -11.537 -0.221 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.299 -12.333 -0.988 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.267 -11.866 0.896 1.00 0.00 O ATOM 0 H GLU A 10 -8.852 -10.736 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.920 -9.897 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.503 -9.628 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.637 -8.254 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.177 -10.079 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.805 -9.609 -0.045 1.00 0.00 H new ATOM 127 N MET A 11 -8.915 -7.461 0.427 1.00 0.00 N ATOM 128 CA MET A 11 -9.447 -6.152 0.787 1.00 0.00 C ATOM 129 C MET A 11 -9.734 -6.074 2.283 1.00 0.00 C ATOM 130 O MET A 11 -9.440 -5.070 2.929 1.00 0.00 O ATOM 131 CB MET A 11 -10.722 -5.860 -0.005 1.00 0.00 C ATOM 132 CG MET A 11 -11.167 -4.409 0.073 1.00 0.00 C ATOM 133 SD MET A 11 -9.853 -3.255 -0.366 1.00 0.00 S ATOM 134 CE MET A 11 -10.808 -1.880 -1.005 1.00 0.00 C ATOM 0 H MET A 11 -9.240 -7.815 -0.473 1.00 0.00 H new ATOM 0 HA MET A 11 -8.695 -5.402 0.540 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.560 -6.126 -1.050 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.524 -6.498 0.366 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.016 -4.257 -0.593 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.512 -4.193 1.084 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.134 -1.083 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.399 -2.213 -1.859 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.474 -1.506 -0.227 1.00 0.00 H new ATOM 142 N MET A 12 -10.310 -7.141 2.826 1.00 0.00 N ATOM 143 CA MET A 12 -10.636 -7.195 4.246 1.00 0.00 C ATOM 144 C MET A 12 -9.370 -7.237 5.094 1.00 0.00 C ATOM 145 O MET A 12 -9.230 -6.483 6.056 1.00 0.00 O ATOM 146 CB MET A 12 -11.507 -8.416 4.547 1.00 0.00 C ATOM 147 CG MET A 12 -12.461 -8.211 5.712 1.00 0.00 C ATOM 148 SD MET A 12 -11.649 -8.381 7.313 1.00 0.00 S ATOM 149 CE MET A 12 -12.548 -9.768 8.003 1.00 0.00 C ATOM 0 H MET A 12 -10.561 -7.981 2.304 1.00 0.00 H new ATOM 0 HA MET A 12 -11.191 -6.292 4.499 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.083 -8.669 3.657 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.862 -9.268 4.762 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.909 -7.220 5.640 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.274 -8.934 5.643 1.00 0.00 H new ATOM 0 HE1 MET A 12 -12.160 -9.995 8.996 1.00 0.00 H new ATOM 0 HE2 MET A 12 -13.606 -9.516 8.076 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.426 -10.638 7.358 1.00 0.00 H new ATOM 157 N GLU A 13 -8.449 -8.126 4.731 1.00 0.00 N ATOM 158 CA GLU A 13 -7.194 -8.267 5.459 1.00 0.00 C ATOM 159 C GLU A 13 -6.323 -7.027 5.286 1.00 0.00 C ATOM 160 O GLU A 13 -5.964 -6.365 6.262 1.00 0.00 O ATOM 161 CB GLU A 13 -6.437 -9.507 4.979 1.00 0.00 C ATOM 162 CG GLU A 13 -6.739 -10.757 5.790 1.00 0.00 C ATOM 163 CD GLU A 13 -5.979 -11.972 5.295 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.632 -12.973 4.935 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.731 -11.921 5.268 1.00 0.00 O ATOM 0 H GLU A 13 -8.549 -8.759 3.937 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.428 -8.380 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.687 -9.693 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.366 -9.307 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.487 -10.577 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.809 -10.961 5.750 1.00 0.00 H new ATOM 170 N LEU A 14 -5.983 -6.718 4.040 1.00 0.00 N ATOM 171 CA LEU A 14 -5.153 -5.558 3.738 1.00 0.00 C ATOM 172 C LEU A 14 -5.657 -4.320 4.474 1.00 0.00 C ATOM 173 O LEU A 14 -4.882 -3.604 5.109 1.00 0.00 O ATOM 174 CB LEU A 14 -5.135 -5.296 2.230 1.00 0.00 C ATOM 175 CG LEU A 14 -5.098 -6.535 1.335 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.836 -6.141 -0.110 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.040 -7.514 1.823 1.00 0.00 C ATOM 0 H LEU A 14 -6.270 -7.255 3.222 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.139 -5.771 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.019 -4.712 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.267 -4.679 1.999 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.070 -7.026 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.813 -7.035 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.629 -5.478 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.878 -5.626 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.028 -8.390 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.062 -7.033 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.271 -7.821 2.843 1.00 0.00 H new ATOM 188 N ARG A 15 -6.960 -4.077 4.387 1.00 0.00 N ATOM 189 CA ARG A 15 -7.568 -2.927 5.046 1.00 0.00 C ATOM 190 C ARG A 15 -7.355 -2.990 6.556 1.00 0.00 C ATOM 191 O ARG A 15 -6.986 -1.996 7.181 1.00 0.00 O ATOM 192 CB ARG A 15 -9.064 -2.865 4.733 1.00 0.00 C ATOM 193 CG ARG A 15 -9.827 -1.874 5.597 1.00 0.00 C ATOM 194 CD ARG A 15 -10.982 -2.544 6.326 1.00 0.00 C ATOM 195 NE ARG A 15 -10.895 -2.363 7.772 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.830 -2.774 8.621 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.917 -3.387 8.171 1.00 0.00 N ATOM 198 NH2 ARG A 15 -11.679 -2.573 9.925 1.00 0.00 N ATOM 0 H ARG A 15 -7.615 -4.661 3.867 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.087 -2.026 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.196 -2.597 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.496 -3.857 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.149 -1.425 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.209 -1.065 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.925 -2.133 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.988 -3.609 6.094 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.071 -1.895 8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.037 -3.544 7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.633 -3.701 8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.844 -2.103 10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.398 -2.889 10.576 1.00 0.00 H new ATOM 209 N GLU A 16 -7.592 -4.164 7.132 1.00 0.00 N ATOM 210 CA GLU A 16 -7.426 -4.355 8.569 1.00 0.00 C ATOM 211 C GLU A 16 -6.065 -3.844 9.033 1.00 0.00 C ATOM 212 O GLU A 16 -5.980 -2.943 9.866 1.00 0.00 O ATOM 213 CB GLU A 16 -7.578 -5.834 8.930 1.00 0.00 C ATOM 214 CG GLU A 16 -8.904 -6.165 9.595 1.00 0.00 C ATOM 215 CD GLU A 16 -8.986 -5.650 11.019 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.088 -5.981 11.822 1.00 0.00 O ATOM 217 OE2 GLU A 16 -9.949 -4.918 11.331 1.00 0.00 O ATOM 0 H GLU A 16 -7.899 -4.996 6.628 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.202 -3.782 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.476 -6.433 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.765 -6.122 9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.717 -5.736 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.047 -7.246 9.594 1.00 0.00 H new ATOM 222 N ALA A 17 -5.004 -4.427 8.487 1.00 0.00 N ATOM 223 CA ALA A 17 -3.646 -4.032 8.843 1.00 0.00 C ATOM 224 C ALA A 17 -3.413 -2.553 8.553 1.00 0.00 C ATOM 225 O ALA A 17 -3.013 -1.793 9.435 1.00 0.00 O ATOM 226 CB ALA A 17 -2.634 -4.885 8.094 1.00 0.00 C ATOM 0 H ALA A 17 -5.058 -5.175 7.796 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.516 -4.191 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.625 -4.579 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.779 -5.934 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.772 -4.755 7.021 1.00 0.00 H new ATOM 232 N PHE A 18 -3.663 -2.152 7.311 1.00 0.00 N ATOM 233 CA PHE A 18 -3.478 -0.763 6.905 1.00 0.00 C ATOM 234 C PHE A 18 -3.975 0.191 7.986 1.00 0.00 C ATOM 235 O PHE A 18 -3.232 1.047 8.464 1.00 0.00 O ATOM 236 CB PHE A 18 -4.213 -0.492 5.591 1.00 0.00 C ATOM 237 CG PHE A 18 -4.131 0.939 5.143 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.219 1.324 4.173 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.966 1.900 5.691 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.141 2.640 3.758 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.893 3.217 5.279 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.979 3.588 4.313 1.00 0.00 C ATOM 0 H PHE A 18 -3.994 -2.768 6.569 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.411 -0.592 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.798 -1.132 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.261 -0.769 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.561 0.587 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.682 1.616 6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.426 2.927 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.551 3.956 5.713 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.919 4.617 3.992 1.00 0.00 H new ATOM 251 N ALA A 19 -5.240 0.037 8.367 1.00 0.00 N ATOM 252 CA ALA A 19 -5.837 0.884 9.392 1.00 0.00 C ATOM 253 C ALA A 19 -4.966 0.930 10.642 1.00 0.00 C ATOM 254 O ALA A 19 -4.712 2.001 11.195 1.00 0.00 O ATOM 255 CB ALA A 19 -7.233 0.387 9.739 1.00 0.00 C ATOM 0 H ALA A 19 -5.870 -0.666 7.981 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.911 1.896 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.667 1.028 10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.860 0.411 8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.173 -0.635 10.113 1.00 0.00 H new ATOM 261 N LYS A 20 -4.508 -0.236 11.083 1.00 0.00 N ATOM 262 CA LYS A 20 -3.663 -0.329 12.268 1.00 0.00 C ATOM 263 C LYS A 20 -2.434 0.564 12.132 1.00 0.00 C ATOM 264 O LYS A 20 -1.892 1.048 13.126 1.00 0.00 O ATOM 265 CB LYS A 20 -3.230 -1.779 12.498 1.00 0.00 C ATOM 266 CG LYS A 20 -4.377 -2.773 12.440 1.00 0.00 C ATOM 267 CD LYS A 20 -4.394 -3.677 13.661 1.00 0.00 C ATOM 268 CE LYS A 20 -3.048 -4.352 13.874 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.631 -5.147 12.686 1.00 0.00 N ATOM 0 H LYS A 20 -4.708 -1.131 10.637 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.244 0.011 13.125 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.487 -2.051 11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.744 -1.854 13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.323 -2.235 12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.289 -3.379 11.538 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.653 -3.093 14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.168 -4.435 13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.293 -3.596 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.103 -5.004 14.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.780 -5.698 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.399 -5.794 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.422 -4.505 11.895 1.00 0.00 H new ATOM 279 N VAL A 21 -2.000 0.780 10.894 1.00 0.00 N ATOM 280 CA VAL A 21 -0.836 1.617 10.627 1.00 0.00 C ATOM 281 C VAL A 21 -1.248 2.951 10.014 1.00 0.00 C ATOM 282 O VAL A 21 -0.400 3.756 9.628 1.00 0.00 O ATOM 283 CB VAL A 21 0.156 0.914 9.681 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.470 0.638 10.396 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.446 -0.373 9.138 1.00 0.00 C ATOM 0 H VAL A 21 -2.437 0.387 10.060 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.348 1.796 11.585 1.00 0.00 H new ATOM 0 HB VAL A 21 0.360 1.575 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.159 0.141 9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.907 1.579 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.287 -0.004 11.258 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.269 -0.856 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.680 -1.043 9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.358 -0.144 8.587 1.00 0.00 H new ATOM 295 N ASP A 22 -2.553 3.179 9.929 1.00 0.00 N ATOM 296 CA ASP A 22 -3.079 4.416 9.364 1.00 0.00 C ATOM 297 C ASP A 22 -3.606 5.334 10.464 1.00 0.00 C ATOM 298 O ASP A 22 -4.734 5.823 10.392 1.00 0.00 O ATOM 299 CB ASP A 22 -4.191 4.112 8.360 1.00 0.00 C ATOM 300 CG ASP A 22 -4.664 5.352 7.627 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.811 6.194 7.274 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.886 5.479 7.405 1.00 0.00 O ATOM 0 H ASP A 22 -3.267 2.523 10.244 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.265 4.926 8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.833 3.380 7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.034 3.658 8.882 1.00 0.00 H new ATOM 306 N THR A 23 -2.783 5.563 11.482 1.00 0.00 N ATOM 307 CA THR A 23 -3.165 6.420 12.597 1.00 0.00 C ATOM 308 C THR A 23 -2.971 7.893 12.252 1.00 0.00 C ATOM 309 O THR A 23 -3.124 8.765 13.106 1.00 0.00 O ATOM 310 CB THR A 23 -2.353 6.091 13.864 1.00 0.00 C ATOM 311 OG1 THR A 23 -0.952 6.146 13.575 1.00 0.00 O ATOM 312 CG2 THR A 23 -2.713 4.711 14.393 1.00 0.00 C ATOM 0 H THR A 23 -1.846 5.166 11.557 1.00 0.00 H new ATOM 0 HA THR A 23 -4.221 6.231 12.791 1.00 0.00 H new ATOM 0 HB THR A 23 -2.595 6.830 14.627 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.442 5.937 14.386 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.127 4.500 15.288 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.775 4.681 14.639 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.495 3.961 13.632 1.00 0.00 H new ATOM 320 N ASP A 24 -2.634 8.160 10.995 1.00 0.00 N ATOM 321 CA ASP A 24 -2.421 9.528 10.536 1.00 0.00 C ATOM 322 C ASP A 24 -3.695 10.354 10.680 1.00 0.00 C ATOM 323 O ASP A 24 -3.658 11.584 10.639 1.00 0.00 O ATOM 324 CB ASP A 24 -1.958 9.533 9.078 1.00 0.00 C ATOM 325 CG ASP A 24 -0.642 8.804 8.886 1.00 0.00 C ATOM 326 OD1 ASP A 24 -0.115 8.262 9.879 1.00 0.00 O ATOM 327 OD2 ASP A 24 -0.141 8.776 7.743 1.00 0.00 O ATOM 0 H ASP A 24 -2.503 7.448 10.276 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.646 9.977 11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.722 9.067 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.853 10.563 8.737 1.00 0.00 H new ATOM 331 N GLY A 25 -4.823 9.670 10.849 1.00 0.00 N ATOM 332 CA GLY A 25 -6.092 10.358 10.996 1.00 0.00 C ATOM 333 C GLY A 25 -6.503 11.092 9.735 1.00 0.00 C ATOM 334 O GLY A 25 -7.430 11.901 9.754 1.00 0.00 O ATOM 0 H GLY A 25 -4.880 8.652 10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.865 9.636 11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.023 11.068 11.820 1.00 0.00 H new ATOM 338 N ASN A 26 -5.812 10.810 8.636 1.00 0.00 N ATOM 339 CA ASN A 26 -6.109 11.452 7.361 1.00 0.00 C ATOM 340 C ASN A 26 -6.642 10.438 6.353 1.00 0.00 C ATOM 341 O ASN A 26 -7.243 10.807 5.344 1.00 0.00 O ATOM 342 CB ASN A 26 -4.856 12.130 6.804 1.00 0.00 C ATOM 343 CG ASN A 26 -4.154 12.988 7.839 1.00 0.00 C ATOM 344 OD1 ASN A 26 -2.899 12.662 8.124 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -4.734 13.931 8.375 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.043 10.141 8.602 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.877 12.206 7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.166 11.369 6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.130 12.748 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.699 14.145 8.125 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.250 14.499 9.070 1.00 0.00 H new ATOM 351 N GLY A 27 -6.418 9.158 6.634 1.00 0.00 N ATOM 352 CA GLY A 27 -6.883 8.111 5.743 1.00 0.00 C ATOM 353 C GLY A 27 -5.747 7.423 5.015 1.00 0.00 C ATOM 354 O GLY A 27 -5.898 6.299 4.534 1.00 0.00 O ATOM 0 H GLY A 27 -5.923 8.827 7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.443 7.372 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.572 8.538 5.014 1.00 0.00 H new ATOM 358 N TYR A 28 -4.605 8.097 4.931 1.00 0.00 N ATOM 359 CA TYR A 28 -3.439 7.545 4.251 1.00 0.00 C ATOM 360 C TYR A 28 -2.287 7.335 5.230 1.00 0.00 C ATOM 361 O TYR A 28 -2.103 8.114 6.166 1.00 0.00 O ATOM 362 CB TYR A 28 -2.997 8.471 3.118 1.00 0.00 C ATOM 363 CG TYR A 28 -3.132 9.941 3.449 1.00 0.00 C ATOM 364 CD1 TYR A 28 -4.103 10.724 2.837 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.288 10.546 4.372 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.230 12.067 3.136 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.409 11.887 4.678 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.381 12.644 4.058 1.00 0.00 C ATOM 369 OH TYR A 28 -3.503 13.981 4.358 1.00 0.00 O ATOM 0 H TYR A 28 -4.462 9.027 5.325 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.718 6.578 3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.957 8.257 2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.588 8.252 2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.770 10.275 2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.524 9.957 4.858 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.990 12.662 2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.746 12.341 5.399 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.005 14.510 3.701 1.00 0.00 H new ATOM 378 N ILE A 29 -1.516 6.277 5.007 1.00 0.00 N ATOM 379 CA ILE A 29 -0.381 5.964 5.866 1.00 0.00 C ATOM 380 C ILE A 29 0.913 6.542 5.301 1.00 0.00 C ATOM 381 O ILE A 29 0.921 7.135 4.223 1.00 0.00 O ATOM 382 CB ILE A 29 -0.214 4.444 6.049 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.134 3.783 4.713 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.482 3.839 6.631 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.255 2.278 4.798 1.00 0.00 C ATOM 0 H ILE A 29 -1.657 5.621 4.238 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.586 6.418 6.836 1.00 0.00 H new ATOM 0 HB ILE A 29 0.604 4.264 6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.632 4.037 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.074 4.195 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.349 2.764 6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.690 4.293 7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.317 4.026 5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.503 1.877 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.041 2.016 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.692 1.855 5.134 1.00 0.00 H new ATOM 396 N SER A 30 2.006 6.362 6.036 1.00 0.00 N ATOM 397 CA SER A 30 3.306 6.866 5.610 1.00 0.00 C ATOM 398 C SER A 30 4.134 5.759 4.965 1.00 0.00 C ATOM 399 O SER A 30 3.857 4.573 5.150 1.00 0.00 O ATOM 400 CB SER A 30 4.063 7.458 6.800 1.00 0.00 C ATOM 401 OG SER A 30 5.434 7.641 6.492 1.00 0.00 O ATOM 0 H SER A 30 2.017 5.871 6.930 1.00 0.00 H new ATOM 0 HA SER A 30 3.139 7.648 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.619 8.414 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.966 6.798 7.662 1.00 0.00 H new ATOM 0 HG SER A 30 5.896 8.022 7.268 1.00 0.00 H new ATOM 406 N PHE A 31 5.151 6.154 4.208 1.00 0.00 N ATOM 407 CA PHE A 31 6.020 5.196 3.534 1.00 0.00 C ATOM 408 C PHE A 31 6.420 4.066 4.479 1.00 0.00 C ATOM 409 O PHE A 31 6.213 2.890 4.180 1.00 0.00 O ATOM 410 CB PHE A 31 7.272 5.897 3.002 1.00 0.00 C ATOM 411 CG PHE A 31 7.126 6.396 1.592 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.715 7.694 1.342 1.00 0.00 C ATOM 413 CD2 PHE A 31 7.399 5.564 0.518 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.580 8.156 0.046 1.00 0.00 C ATOM 415 CE2 PHE A 31 7.267 6.020 -0.780 1.00 0.00 C ATOM 416 CZ PHE A 31 6.855 7.318 -1.017 1.00 0.00 C ATOM 0 H PHE A 31 5.394 7.131 4.045 1.00 0.00 H new ATOM 0 HA PHE A 31 5.467 4.769 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.513 6.737 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.114 5.206 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.497 8.353 2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.718 4.548 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.260 9.171 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.486 5.363 -1.609 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.748 7.676 -2.030 1.00 0.00 H new ATOM 425 N ASN A 32 6.993 4.433 5.621 1.00 0.00 N ATOM 426 CA ASN A 32 7.422 3.451 6.610 1.00 0.00 C ATOM 427 C ASN A 32 6.266 2.538 7.008 1.00 0.00 C ATOM 428 O ASN A 32 6.422 1.319 7.081 1.00 0.00 O ATOM 429 CB ASN A 32 7.981 4.154 7.848 1.00 0.00 C ATOM 430 CG ASN A 32 9.290 4.867 7.567 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.304 6.038 7.189 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.399 4.160 7.752 1.00 0.00 N ATOM 0 H ASN A 32 7.171 5.402 5.884 1.00 0.00 H new ATOM 0 HA ASN A 32 8.206 2.840 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.250 4.874 8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.132 3.422 8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.310 4.586 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.340 3.191 8.066 1.00 0.00 H new ATOM 438 N GLU A 33 5.107 3.137 7.263 1.00 0.00 N ATOM 439 CA GLU A 33 3.925 2.377 7.654 1.00 0.00 C ATOM 440 C GLU A 33 3.520 1.398 6.555 1.00 0.00 C ATOM 441 O GLU A 33 3.117 0.268 6.833 1.00 0.00 O ATOM 442 CB GLU A 33 2.764 3.323 7.964 1.00 0.00 C ATOM 443 CG GLU A 33 3.071 4.325 9.063 1.00 0.00 C ATOM 444 CD GLU A 33 4.209 3.877 9.960 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.320 4.431 9.828 1.00 0.00 O ATOM 446 OE2 GLU A 33 3.988 2.972 10.793 1.00 0.00 O ATOM 0 H GLU A 33 4.961 4.145 7.206 1.00 0.00 H new ATOM 0 HA GLU A 33 4.170 1.808 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.495 3.863 7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.894 2.734 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.324 5.285 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.177 4.481 9.667 1.00 0.00 H new ATOM 451 N LEU A 34 3.629 1.841 5.308 1.00 0.00 N ATOM 452 CA LEU A 34 3.273 1.005 4.166 1.00 0.00 C ATOM 453 C LEU A 34 4.081 -0.288 4.165 1.00 0.00 C ATOM 454 O LEU A 34 3.525 -1.380 4.275 1.00 0.00 O ATOM 455 CB LEU A 34 3.506 1.767 2.859 1.00 0.00 C ATOM 456 CG LEU A 34 3.731 0.908 1.614 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.493 0.081 1.306 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.100 1.783 0.424 1.00 0.00 C ATOM 0 H LEU A 34 3.961 2.773 5.061 1.00 0.00 H new ATOM 0 HA LEU A 34 2.216 0.751 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.647 2.413 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.372 2.417 2.989 1.00 0.00 H new ATOM 0 HG LEU A 34 4.559 0.226 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.671 -0.524 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.272 -0.572 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.647 0.745 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.257 1.156 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.293 2.488 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.015 2.332 0.646 1.00 0.00 H new ATOM 469 N ASN A 35 5.398 -0.157 4.043 1.00 0.00 N ATOM 470 CA ASN A 35 6.284 -1.316 4.030 1.00 0.00 C ATOM 471 C ASN A 35 5.979 -2.246 5.200 1.00 0.00 C ATOM 472 O ASN A 35 5.858 -3.459 5.027 1.00 0.00 O ATOM 473 CB ASN A 35 7.746 -0.867 4.088 1.00 0.00 C ATOM 474 CG ASN A 35 8.682 -1.996 4.473 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.724 -3.034 3.814 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.438 -1.798 5.547 1.00 0.00 N ATOM 0 H ASN A 35 5.875 0.740 3.952 1.00 0.00 H new ATOM 0 HA ASN A 35 6.115 -1.861 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.040 -0.470 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.846 -0.055 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.086 -2.523 5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.370 -0.921 6.064 1.00 0.00 H new ATOM 482 N ASP A 36 5.856 -1.670 6.391 1.00 0.00 N ATOM 483 CA ASP A 36 5.563 -2.447 7.590 1.00 0.00 C ATOM 484 C ASP A 36 4.198 -3.120 7.482 1.00 0.00 C ATOM 485 O ASP A 36 3.996 -4.222 7.993 1.00 0.00 O ATOM 486 CB ASP A 36 5.607 -1.550 8.828 1.00 0.00 C ATOM 487 CG ASP A 36 6.912 -0.786 8.943 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.931 -1.267 8.405 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.913 0.293 9.571 1.00 0.00 O ATOM 0 H ASP A 36 5.955 -0.668 6.552 1.00 0.00 H new ATOM 0 HA ASP A 36 6.323 -3.222 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.778 -0.844 8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.467 -2.160 9.720 1.00 0.00 H new ATOM 493 N LEU A 37 3.265 -2.450 6.814 1.00 0.00 N ATOM 494 CA LEU A 37 1.919 -2.983 6.639 1.00 0.00 C ATOM 495 C LEU A 37 1.928 -4.197 5.717 1.00 0.00 C ATOM 496 O LEU A 37 1.175 -5.149 5.918 1.00 0.00 O ATOM 497 CB LEU A 37 0.993 -1.905 6.073 1.00 0.00 C ATOM 498 CG LEU A 37 -0.119 -2.396 5.145 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.032 -3.369 5.875 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.918 -1.220 4.601 1.00 0.00 C ATOM 0 H LEU A 37 3.416 -1.537 6.385 1.00 0.00 H new ATOM 0 HA LEU A 37 1.549 -3.296 7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.535 -1.373 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.600 -1.182 5.529 1.00 0.00 H new ATOM 0 HG LEU A 37 0.339 -2.918 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.817 -3.708 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.452 -4.226 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.482 -2.871 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.705 -1.588 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.365 -0.670 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.257 -0.559 4.041 1.00 0.00 H new ATOM 511 N PHE A 38 2.789 -4.158 4.705 1.00 0.00 N ATOM 512 CA PHE A 38 2.899 -5.256 3.752 1.00 0.00 C ATOM 513 C PHE A 38 3.385 -6.528 4.441 1.00 0.00 C ATOM 514 O PHE A 38 2.760 -7.584 4.334 1.00 0.00 O ATOM 515 CB PHE A 38 3.853 -4.881 2.617 1.00 0.00 C ATOM 516 CG PHE A 38 3.168 -4.699 1.292 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.623 -3.474 0.942 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.069 -5.754 0.399 1.00 0.00 C ATOM 519 CE1 PHE A 38 1.993 -3.304 -0.276 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.439 -5.589 -0.820 1.00 0.00 C ATOM 521 CZ PHE A 38 1.900 -4.363 -1.158 1.00 0.00 C ATOM 0 H PHE A 38 3.421 -3.378 4.524 1.00 0.00 H new ATOM 0 HA PHE A 38 1.909 -5.444 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.371 -3.958 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.613 -5.657 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.691 -2.643 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.488 -6.715 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.574 -2.344 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.368 -6.418 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.407 -4.233 -2.110 1.00 0.00 H new ATOM 530 N LYS A 39 4.505 -6.420 5.147 1.00 0.00 N ATOM 531 CA LYS A 39 5.077 -7.559 5.855 1.00 0.00 C ATOM 532 C LYS A 39 4.165 -8.006 6.994 1.00 0.00 C ATOM 533 O LYS A 39 3.953 -9.201 7.199 1.00 0.00 O ATOM 534 CB LYS A 39 6.460 -7.203 6.406 1.00 0.00 C ATOM 535 CG LYS A 39 7.347 -6.485 5.402 1.00 0.00 C ATOM 536 CD LYS A 39 8.803 -6.502 5.834 1.00 0.00 C ATOM 537 CE LYS A 39 9.476 -7.819 5.475 1.00 0.00 C ATOM 538 NZ LYS A 39 9.394 -8.805 6.589 1.00 0.00 N ATOM 0 H LYS A 39 5.035 -5.554 5.244 1.00 0.00 H new ATOM 0 HA LYS A 39 5.176 -8.382 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.340 -6.574 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.959 -8.116 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.251 -6.959 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.011 -5.454 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.335 -5.679 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.866 -6.341 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.006 -8.237 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.522 -7.637 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.346 -9.160 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.993 -8.345 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.785 -9.599 6.306 1.00 0.00 H new ATOM 548 N ALA A 40 3.628 -7.039 7.730 1.00 0.00 N ATOM 549 CA ALA A 40 2.736 -7.333 8.845 1.00 0.00 C ATOM 550 C ALA A 40 1.418 -7.921 8.353 1.00 0.00 C ATOM 551 O ALA A 40 0.699 -8.575 9.107 1.00 0.00 O ATOM 552 CB ALA A 40 2.483 -6.076 9.663 1.00 0.00 C ATOM 0 H ALA A 40 3.795 -6.045 7.574 1.00 0.00 H new ATOM 0 HA ALA A 40 3.220 -8.075 9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.815 -6.310 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.428 -5.699 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.024 -5.317 9.030 1.00 0.00 H new ATOM 558 N ALA A 41 1.105 -7.681 7.083 1.00 0.00 N ATOM 559 CA ALA A 41 -0.127 -8.188 6.491 1.00 0.00 C ATOM 560 C ALA A 41 0.056 -9.611 5.976 1.00 0.00 C ATOM 561 O ALA A 41 -0.841 -10.175 5.350 1.00 0.00 O ATOM 562 CB ALA A 41 -0.587 -7.273 5.365 1.00 0.00 C ATOM 0 H ALA A 41 1.688 -7.139 6.445 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.893 -8.206 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.508 -7.664 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.767 -6.273 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.184 -7.226 4.596 1.00 0.00 H new ATOM 568 N CYS A 42 1.224 -10.186 6.244 1.00 0.00 N ATOM 569 CA CYS A 42 1.525 -11.544 5.806 1.00 0.00 C ATOM 570 C CYS A 42 1.361 -11.678 4.296 1.00 0.00 C ATOM 571 O CYS A 42 1.087 -12.764 3.783 1.00 0.00 O ATOM 572 CB CYS A 42 0.618 -12.546 6.521 1.00 0.00 C ATOM 573 SG CYS A 42 1.330 -14.199 6.687 1.00 0.00 S ATOM 0 H CYS A 42 1.977 -9.733 6.762 1.00 0.00 H new ATOM 0 HA CYS A 42 2.563 -11.759 6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.382 -12.162 7.514 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.323 -12.621 5.976 1.00 0.00 H new ATOM 0 HG CYS A 42 0.489 -14.973 7.306 1.00 0.00 H new ATOM 578 N LEU A 43 1.526 -10.566 3.587 1.00 0.00 N ATOM 579 CA LEU A 43 1.394 -10.558 2.134 1.00 0.00 C ATOM 580 C LEU A 43 2.450 -11.448 1.486 1.00 0.00 C ATOM 581 O LEU A 43 3.488 -11.752 2.076 1.00 0.00 O ATOM 582 CB LEU A 43 1.515 -9.130 1.599 1.00 0.00 C ATOM 583 CG LEU A 43 0.211 -8.342 1.487 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.846 -8.926 2.411 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.447 -6.872 1.805 1.00 0.00 C ATOM 0 H LEU A 43 1.751 -9.659 3.995 1.00 0.00 H new ATOM 0 HA LEU A 43 0.410 -10.952 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.195 -8.577 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.977 -9.171 0.613 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.150 -8.418 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.768 -8.352 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.035 -9.964 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.493 -8.881 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.493 -6.326 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.832 -6.777 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.171 -6.459 1.102 1.00 0.00 H new ATOM 596 N PRO A 44 2.183 -11.875 0.243 1.00 0.00 N ATOM 597 CA PRO A 44 3.100 -12.733 -0.513 1.00 0.00 C ATOM 598 C PRO A 44 4.369 -11.999 -0.933 1.00 0.00 C ATOM 599 O PRO A 44 5.478 -12.501 -0.747 1.00 0.00 O ATOM 600 CB PRO A 44 2.280 -13.131 -1.743 1.00 0.00 C ATOM 601 CG PRO A 44 1.288 -12.032 -1.909 1.00 0.00 C ATOM 602 CD PRO A 44 0.965 -11.553 -0.520 1.00 0.00 C ATOM 0 HA PRO A 44 3.446 -13.581 0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.912 -13.230 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.786 -14.091 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.698 -11.224 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.392 -12.388 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.751 -10.484 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.090 -12.060 -0.113 1.00 0.00 H new ATOM 607 N LEU A 45 4.198 -10.810 -1.499 1.00 0.00 N ATOM 608 CA LEU A 45 5.331 -10.006 -1.944 1.00 0.00 C ATOM 609 C LEU A 45 6.387 -9.898 -0.849 1.00 0.00 C ATOM 610 O LEU A 45 6.077 -9.738 0.332 1.00 0.00 O ATOM 611 CB LEU A 45 4.860 -8.609 -2.354 1.00 0.00 C ATOM 612 CG LEU A 45 3.885 -8.548 -3.530 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.195 -7.354 -4.421 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.933 -9.840 -4.332 1.00 0.00 C ATOM 0 H LEU A 45 3.287 -10.381 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 45 5.779 -10.500 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.388 -8.139 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.736 -8.010 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 45 2.877 -8.427 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.490 -7.328 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.107 -6.435 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.210 -7.443 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.232 -9.778 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.941 -9.992 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.660 -10.677 -3.690 1.00 0.00 H new ATOM 625 N PRO A 46 7.664 -9.984 -1.248 1.00 0.00 N ATOM 626 CA PRO A 46 8.792 -9.896 -0.315 1.00 0.00 C ATOM 627 C PRO A 46 8.963 -8.492 0.256 1.00 0.00 C ATOM 628 O PRO A 46 8.100 -7.633 0.084 1.00 0.00 O ATOM 629 CB PRO A 46 9.998 -10.271 -1.181 1.00 0.00 C ATOM 630 CG PRO A 46 9.588 -9.927 -2.571 1.00 0.00 C ATOM 631 CD PRO A 46 8.107 -10.174 -2.639 1.00 0.00 C ATOM 0 HA PRO A 46 8.655 -10.542 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.888 -9.717 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.237 -11.331 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.821 -8.887 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.120 -10.541 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.614 -9.476 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.883 -11.179 -2.998 1.00 0.00 H new ATOM 636 N GLY A 47 10.082 -8.268 0.938 1.00 0.00 N ATOM 637 CA GLY A 47 10.346 -6.967 1.524 1.00 0.00 C ATOM 638 C GLY A 47 10.887 -5.975 0.513 1.00 0.00 C ATOM 639 O GLY A 47 10.511 -4.802 0.523 1.00 0.00 O ATOM 0 H GLY A 47 10.810 -8.964 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.427 -6.574 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.061 -7.077 2.339 1.00 0.00 H new ATOM 643 N TYR A 48 11.771 -6.443 -0.360 1.00 0.00 N ATOM 644 CA TYR A 48 12.366 -5.588 -1.378 1.00 0.00 C ATOM 645 C TYR A 48 11.326 -5.165 -2.412 1.00 0.00 C ATOM 646 O TYR A 48 11.352 -4.040 -2.909 1.00 0.00 O ATOM 647 CB TYR A 48 13.524 -6.311 -2.069 1.00 0.00 C ATOM 648 CG TYR A 48 13.088 -7.507 -2.887 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.099 -8.785 -2.343 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.668 -7.358 -4.203 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.703 -9.880 -3.086 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.269 -8.446 -4.952 1.00 0.00 C ATOM 653 CZ TYR A 48 12.288 -9.706 -4.390 1.00 0.00 C ATOM 654 OH TYR A 48 11.892 -10.794 -5.134 1.00 0.00 O ATOM 0 H TYR A 48 12.091 -7.411 -0.383 1.00 0.00 H new ATOM 0 HA TYR A 48 12.747 -4.693 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.045 -5.607 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.239 -6.638 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.423 -8.925 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.654 -6.374 -4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.718 -10.867 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.943 -8.312 -5.973 1.00 0.00 H new ATOM 0 HH TYR A 48 11.629 -10.499 -6.031 1.00 0.00 H new ATOM 663 N ARG A 49 10.413 -6.077 -2.728 1.00 0.00 N ATOM 664 CA ARG A 49 9.363 -5.800 -3.702 1.00 0.00 C ATOM 665 C ARG A 49 8.565 -4.563 -3.305 1.00 0.00 C ATOM 666 O ARG A 49 8.343 -3.666 -4.118 1.00 0.00 O ATOM 667 CB ARG A 49 8.429 -7.005 -3.833 1.00 0.00 C ATOM 668 CG ARG A 49 8.757 -7.905 -5.012 1.00 0.00 C ATOM 669 CD ARG A 49 7.649 -7.884 -6.053 1.00 0.00 C ATOM 670 NE ARG A 49 7.168 -9.226 -6.370 1.00 0.00 N ATOM 671 CZ ARG A 49 6.285 -9.485 -7.327 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.788 -8.496 -8.059 1.00 0.00 N ATOM 673 NH2 ARG A 49 5.897 -10.733 -7.554 1.00 0.00 N ATOM 0 H ARG A 49 10.379 -7.013 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 49 9.836 -5.610 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.476 -7.591 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.403 -6.650 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.693 -7.582 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.909 -8.926 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.819 -7.279 -5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.015 -7.406 -6.962 1.00 0.00 H new ATOM 0 HE ARG A 49 7.531 -10.008 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.084 -7.535 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.110 -8.697 -8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.277 -11.495 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.219 -10.930 -8.290 1.00 0.00 H new ATOM 684 N VAL A 50 8.134 -4.522 -2.048 1.00 0.00 N ATOM 685 CA VAL A 50 7.360 -3.395 -1.541 1.00 0.00 C ATOM 686 C VAL A 50 8.188 -2.115 -1.542 1.00 0.00 C ATOM 687 O VAL A 50 7.809 -1.120 -2.160 1.00 0.00 O ATOM 688 CB VAL A 50 6.849 -3.663 -0.113 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.933 -2.538 0.346 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.135 -5.004 -0.044 1.00 0.00 C ATOM 0 H VAL A 50 8.308 -5.257 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 50 6.506 -3.272 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 50 7.706 -3.700 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.582 -2.744 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.481 -1.596 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.079 -2.467 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.781 -5.176 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.286 -5.000 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.825 -5.799 -0.327 1.00 0.00 H new ATOM 700 N ARG A 51 9.319 -2.148 -0.846 1.00 0.00 N ATOM 701 CA ARG A 51 10.200 -0.990 -0.766 1.00 0.00 C ATOM 702 C ARG A 51 10.550 -0.475 -2.159 1.00 0.00 C ATOM 703 O ARG A 51 10.569 0.731 -2.398 1.00 0.00 O ATOM 704 CB ARG A 51 11.480 -1.348 -0.006 1.00 0.00 C ATOM 705 CG ARG A 51 12.261 -0.136 0.476 1.00 0.00 C ATOM 706 CD ARG A 51 13.721 -0.211 0.057 1.00 0.00 C ATOM 707 NE ARG A 51 14.182 1.038 -0.544 1.00 0.00 N ATOM 708 CZ ARG A 51 15.438 1.252 -0.919 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.352 0.305 -0.759 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.781 2.415 -1.458 1.00 0.00 N ATOM 0 H ARG A 51 9.647 -2.964 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 51 9.674 -0.201 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.221 -1.968 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.120 -1.949 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.812 0.772 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.196 -0.068 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.336 -0.444 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.853 -1.026 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 51 13.503 1.786 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.091 -0.591 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.316 0.472 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.080 3.145 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.746 2.579 -1.746 1.00 0.00 H new ATOM 721 N GLU A 52 10.826 -1.399 -3.073 1.00 0.00 N ATOM 722 CA GLU A 52 11.176 -1.038 -4.443 1.00 0.00 C ATOM 723 C GLU A 52 9.994 -0.384 -5.152 1.00 0.00 C ATOM 724 O GLU A 52 10.125 0.693 -5.734 1.00 0.00 O ATOM 725 CB GLU A 52 11.631 -2.275 -5.220 1.00 0.00 C ATOM 726 CG GLU A 52 12.159 -1.961 -6.609 1.00 0.00 C ATOM 727 CD GLU A 52 13.104 -0.776 -6.620 1.00 0.00 C ATOM 728 OE1 GLU A 52 12.619 0.369 -6.723 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.331 -0.995 -6.525 1.00 0.00 O ATOM 0 H GLU A 52 10.814 -2.403 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 52 11.996 -0.321 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.409 -2.785 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.794 -2.967 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.675 -2.836 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.320 -1.758 -7.275 1.00 0.00 H new ATOM 734 N ILE A 53 8.841 -1.044 -5.098 1.00 0.00 N ATOM 735 CA ILE A 53 7.636 -0.526 -5.735 1.00 0.00 C ATOM 736 C ILE A 53 7.382 0.922 -5.334 1.00 0.00 C ATOM 737 O ILE A 53 6.912 1.729 -6.140 1.00 0.00 O ATOM 738 CB ILE A 53 6.401 -1.372 -5.374 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.471 -2.737 -6.062 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.126 -0.640 -5.763 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.727 -3.826 -5.321 1.00 0.00 C ATOM 0 H ILE A 53 8.716 -1.937 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 53 7.800 -0.579 -6.811 1.00 0.00 H new ATOM 0 HB ILE A 53 6.390 -1.531 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.062 -2.649 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.516 -3.029 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.262 -1.251 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.074 0.309 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.127 -0.453 -6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.819 -4.765 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.151 -3.942 -4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.674 -3.556 -5.239 1.00 0.00 H new ATOM 752 N THR A 54 7.695 1.250 -4.084 1.00 0.00 N ATOM 753 CA THR A 54 7.500 2.600 -3.576 1.00 0.00 C ATOM 754 C THR A 54 8.530 3.562 -4.160 1.00 0.00 C ATOM 755 O THR A 54 8.176 4.569 -4.771 1.00 0.00 O ATOM 756 CB THR A 54 7.592 2.641 -2.039 1.00 0.00 C ATOM 757 OG1 THR A 54 7.968 1.355 -1.536 1.00 0.00 O ATOM 758 CG2 THR A 54 6.263 3.061 -1.429 1.00 0.00 C ATOM 0 H THR A 54 8.085 0.597 -3.405 1.00 0.00 H new ATOM 0 HA THR A 54 6.501 2.911 -3.882 1.00 0.00 H new ATOM 0 HB THR A 54 8.349 3.374 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.919 1.199 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.352 3.083 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.994 4.053 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.490 2.348 -1.715 1.00 0.00 H new ATOM 766 N GLU A 55 9.806 3.242 -3.969 1.00 0.00 N ATOM 767 CA GLU A 55 10.888 4.078 -4.478 1.00 0.00 C ATOM 768 C GLU A 55 10.691 4.377 -5.961 1.00 0.00 C ATOM 769 O GLU A 55 11.043 5.455 -6.439 1.00 0.00 O ATOM 770 CB GLU A 55 12.238 3.392 -4.259 1.00 0.00 C ATOM 771 CG GLU A 55 13.166 4.159 -3.332 1.00 0.00 C ATOM 772 CD GLU A 55 14.565 4.306 -3.898 1.00 0.00 C ATOM 773 OE1 GLU A 55 15.070 5.447 -3.942 1.00 0.00 O ATOM 774 OE2 GLU A 55 15.155 3.280 -4.297 1.00 0.00 O ATOM 0 H GLU A 55 10.116 2.411 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 55 10.875 5.020 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.068 2.397 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.729 3.259 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.749 5.148 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.219 3.647 -2.371 1.00 0.00 H new ATOM 779 N ASN A 56 10.126 3.415 -6.684 1.00 0.00 N ATOM 780 CA ASN A 56 9.884 3.575 -8.113 1.00 0.00 C ATOM 781 C ASN A 56 8.555 4.281 -8.363 1.00 0.00 C ATOM 782 O ASN A 56 8.395 4.994 -9.354 1.00 0.00 O ATOM 783 CB ASN A 56 9.890 2.212 -8.808 1.00 0.00 C ATOM 784 CG ASN A 56 9.926 2.334 -10.319 1.00 0.00 C ATOM 785 OD1 ASN A 56 10.829 2.955 -10.882 1.00 0.00 O ATOM 786 ND2 ASN A 56 8.941 1.741 -10.984 1.00 0.00 N ATOM 0 H ASN A 56 9.827 2.517 -6.304 1.00 0.00 H new ATOM 0 HA ASN A 56 10.684 4.189 -8.526 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.754 1.639 -8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.002 1.652 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.912 1.789 -12.002 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.214 1.237 -10.476 1.00 0.00 H new ATOM 792 N LEU A 57 7.603 4.076 -7.459 1.00 0.00 N ATOM 793 CA LEU A 57 6.286 4.692 -7.581 1.00 0.00 C ATOM 794 C LEU A 57 6.390 6.213 -7.531 1.00 0.00 C ATOM 795 O LEU A 57 6.085 6.898 -8.508 1.00 0.00 O ATOM 796 CB LEU A 57 5.364 4.197 -6.465 1.00 0.00 C ATOM 797 CG LEU A 57 4.360 3.112 -6.857 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.445 2.786 -5.687 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.548 3.550 -8.067 1.00 0.00 C ATOM 0 H LEU A 57 7.718 3.488 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 57 5.866 4.405 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.982 3.816 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.812 5.050 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 57 4.912 2.210 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.737 2.012 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.041 2.430 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.900 3.682 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.839 2.766 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.006 4.465 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.217 3.733 -8.908 1.00 0.00 H new ATOM 810 N MET A 58 6.827 6.735 -6.390 1.00 0.00 N ATOM 811 CA MET A 58 6.975 8.175 -6.216 1.00 0.00 C ATOM 812 C MET A 58 8.042 8.730 -7.154 1.00 0.00 C ATOM 813 O MET A 58 8.156 9.942 -7.333 1.00 0.00 O ATOM 814 CB MET A 58 7.336 8.501 -4.765 1.00 0.00 C ATOM 815 CG MET A 58 8.335 7.529 -4.155 1.00 0.00 C ATOM 816 SD MET A 58 9.746 8.364 -3.406 1.00 0.00 S ATOM 817 CE MET A 58 9.900 7.457 -1.869 1.00 0.00 C ATOM 0 H MET A 58 7.085 6.183 -5.572 1.00 0.00 H new ATOM 0 HA MET A 58 6.022 8.644 -6.460 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.748 9.509 -4.719 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.427 8.500 -4.164 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.833 6.924 -3.400 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.690 6.846 -4.927 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.954 7.355 -1.611 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.382 7.996 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.457 6.468 -1.984 1.00 0.00 H new ATOM 825 N ALA A 59 8.822 7.834 -7.751 1.00 0.00 N ATOM 826 CA ALA A 59 9.878 8.235 -8.672 1.00 0.00 C ATOM 827 C ALA A 59 9.364 9.247 -9.690 1.00 0.00 C ATOM 828 O ALA A 59 10.132 10.042 -10.234 1.00 0.00 O ATOM 829 CB ALA A 59 10.451 7.016 -9.380 1.00 0.00 C ATOM 0 H ALA A 59 8.742 6.827 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 59 10.669 8.711 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.239 7.330 -10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.864 6.328 -8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.661 6.516 -9.940 1.00 0.00 H new ATOM 835 N THR A 60 8.060 9.213 -9.946 1.00 0.00 N ATOM 836 CA THR A 60 7.443 10.126 -10.900 1.00 0.00 C ATOM 837 C THR A 60 6.331 10.937 -10.245 1.00 0.00 C ATOM 838 O THR A 60 5.212 10.999 -10.754 1.00 0.00 O ATOM 839 CB THR A 60 6.866 9.368 -12.109 1.00 0.00 C ATOM 840 OG1 THR A 60 6.285 8.132 -11.682 1.00 0.00 O ATOM 841 CG2 THR A 60 7.949 9.094 -13.142 1.00 0.00 C ATOM 0 H THR A 60 7.410 8.562 -9.505 1.00 0.00 H new ATOM 0 HA THR A 60 8.227 10.801 -11.244 1.00 0.00 H new ATOM 0 HB THR A 60 6.097 9.991 -12.566 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.521 8.315 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.518 8.557 -13.987 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.369 10.038 -13.488 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.737 8.490 -12.692 1.00 0.00 H new ATOM 849 N GLY A 61 6.645 11.558 -9.111 1.00 0.00 N ATOM 850 CA GLY A 61 5.661 12.357 -8.406 1.00 0.00 C ATOM 851 C GLY A 61 4.360 11.612 -8.184 1.00 0.00 C ATOM 852 O GLY A 61 3.281 12.134 -8.467 1.00 0.00 O ATOM 0 H GLY A 61 7.563 11.521 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.069 12.664 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.463 13.267 -8.973 1.00 0.00 H new ATOM 856 N ASP A 62 4.460 10.388 -7.678 1.00 0.00 N ATOM 857 CA ASP A 62 3.282 9.569 -7.418 1.00 0.00 C ATOM 858 C ASP A 62 2.840 9.697 -5.963 1.00 0.00 C ATOM 859 O ASP A 62 1.682 10.005 -5.680 1.00 0.00 O ATOM 860 CB ASP A 62 3.570 8.104 -7.749 1.00 0.00 C ATOM 861 CG ASP A 62 3.553 7.833 -9.241 1.00 0.00 C ATOM 862 OD1 ASP A 62 4.086 8.668 -10.002 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.009 6.786 -9.647 1.00 0.00 O ATOM 0 H ASP A 62 5.345 9.941 -7.440 1.00 0.00 H new ATOM 0 HA ASP A 62 2.474 9.926 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.543 7.828 -7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.829 7.472 -7.259 1.00 0.00 H new ATOM 867 N LEU A 63 3.770 9.456 -5.045 1.00 0.00 N ATOM 868 CA LEU A 63 3.476 9.544 -3.619 1.00 0.00 C ATOM 869 C LEU A 63 3.902 10.895 -3.057 1.00 0.00 C ATOM 870 O LEU A 63 3.899 11.104 -1.844 1.00 0.00 O ATOM 871 CB LEU A 63 4.185 8.418 -2.863 1.00 0.00 C ATOM 872 CG LEU A 63 3.874 6.995 -3.331 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.504 6.989 -4.806 1.00 0.00 C ATOM 874 CD2 LEU A 63 5.061 6.079 -3.073 1.00 0.00 C ATOM 0 H LEU A 63 4.733 9.198 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 63 2.399 9.441 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.261 8.577 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.925 8.497 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 63 3.022 6.622 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.286 5.969 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.625 7.613 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.336 7.380 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.823 5.071 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.931 6.448 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.281 6.061 -2.006 1.00 0.00 H new ATOM 885 N ASP A 64 4.267 11.812 -3.948 1.00 0.00 N ATOM 886 CA ASP A 64 4.692 13.146 -3.541 1.00 0.00 C ATOM 887 C ASP A 64 3.502 14.096 -3.463 1.00 0.00 C ATOM 888 O ASP A 64 3.600 15.184 -2.896 1.00 0.00 O ATOM 889 CB ASP A 64 5.734 13.692 -4.519 1.00 0.00 C ATOM 890 CG ASP A 64 6.743 14.599 -3.844 1.00 0.00 C ATOM 891 OD1 ASP A 64 7.552 14.092 -3.039 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.724 15.818 -4.120 1.00 0.00 O ATOM 0 H ASP A 64 4.277 11.655 -4.956 1.00 0.00 H new ATOM 0 HA ASP A 64 5.139 13.072 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.257 12.860 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.229 14.242 -5.313 1.00 0.00 H new ATOM 896 N GLN A 65 2.379 13.678 -4.037 1.00 0.00 N ATOM 897 CA GLN A 65 1.169 14.493 -4.033 1.00 0.00 C ATOM 898 C GLN A 65 0.845 14.979 -2.625 1.00 0.00 C ATOM 899 O GLN A 65 0.340 16.087 -2.441 1.00 0.00 O ATOM 900 CB GLN A 65 -0.009 13.696 -4.595 1.00 0.00 C ATOM 901 CG GLN A 65 -0.650 12.762 -3.581 1.00 0.00 C ATOM 902 CD GLN A 65 0.201 11.540 -3.295 1.00 0.00 C ATOM 903 OE1 GLN A 65 1.243 11.634 -2.644 1.00 0.00 O ATOM 904 NE2 GLN A 65 -0.239 10.385 -3.779 1.00 0.00 N ATOM 0 H GLN A 65 2.281 12.780 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 65 1.344 15.363 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.763 14.390 -4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.333 13.112 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.824 13.305 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.624 12.443 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.108 10.353 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.291 9.529 -3.617 1.00 0.00 H new ATOM 911 N ASP A 66 1.137 14.144 -1.634 1.00 0.00 N ATOM 912 CA ASP A 66 0.878 14.490 -0.241 1.00 0.00 C ATOM 913 C ASP A 66 1.975 13.945 0.668 1.00 0.00 C ATOM 914 O ASP A 66 1.927 14.112 1.885 1.00 0.00 O ATOM 915 CB ASP A 66 -0.482 13.943 0.197 1.00 0.00 C ATOM 916 CG ASP A 66 -1.346 15.001 0.854 1.00 0.00 C ATOM 917 OD1 ASP A 66 -1.580 16.053 0.223 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.791 14.775 1.999 1.00 0.00 O ATOM 0 H ASP A 66 1.553 13.223 -1.769 1.00 0.00 H new ATOM 0 HA ASP A 66 0.869 15.577 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.004 13.538 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.332 13.117 0.892 1.00 0.00 H new ATOM 922 N GLY A 67 2.965 13.292 0.065 1.00 0.00 N ATOM 923 CA GLY A 67 4.060 12.732 0.836 1.00 0.00 C ATOM 924 C GLY A 67 3.647 11.503 1.622 1.00 0.00 C ATOM 925 O GLY A 67 4.431 10.968 2.407 1.00 0.00 O ATOM 0 H GLY A 67 3.028 13.141 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.878 12.472 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.440 13.488 1.523 1.00 0.00 H new ATOM 929 N ARG A 68 2.413 11.057 1.414 1.00 0.00 N ATOM 930 CA ARG A 68 1.896 9.885 2.112 1.00 0.00 C ATOM 931 C ARG A 68 1.419 8.829 1.120 1.00 0.00 C ATOM 932 O ARG A 68 1.696 8.915 -0.076 1.00 0.00 O ATOM 933 CB ARG A 68 0.748 10.284 3.041 1.00 0.00 C ATOM 934 CG ARG A 68 1.029 11.540 3.851 1.00 0.00 C ATOM 935 CD ARG A 68 2.186 11.333 4.815 1.00 0.00 C ATOM 936 NE ARG A 68 2.281 12.411 5.796 1.00 0.00 N ATOM 937 CZ ARG A 68 1.414 12.581 6.788 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.393 11.747 6.931 1.00 0.00 N ATOM 939 NH2 ARG A 68 1.568 13.587 7.640 1.00 0.00 N ATOM 0 H ARG A 68 1.752 11.489 0.768 1.00 0.00 H new ATOM 0 HA ARG A 68 2.705 9.461 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.152 10.439 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.541 9.460 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.259 12.365 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.136 11.823 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.061 10.382 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.118 11.270 4.254 1.00 0.00 H new ATOM 0 HE ARG A 68 3.056 13.070 5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.272 10.973 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.271 11.880 7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.352 14.230 7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.902 13.717 8.401 1.00 0.00 H new ATOM 950 N ILE A 69 0.699 7.833 1.626 1.00 0.00 N ATOM 951 CA ILE A 69 0.183 6.759 0.785 1.00 0.00 C ATOM 952 C ILE A 69 -1.182 6.287 1.273 1.00 0.00 C ATOM 953 O ILE A 69 -1.298 5.692 2.345 1.00 0.00 O ATOM 954 CB ILE A 69 1.147 5.559 0.749 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.579 6.034 0.494 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.715 4.565 -0.319 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.609 4.932 0.601 1.00 0.00 C ATOM 0 H ILE A 69 0.460 7.747 2.614 1.00 0.00 H new ATOM 0 HA ILE A 69 0.086 7.165 -0.222 1.00 0.00 H new ATOM 0 HB ILE A 69 1.117 5.059 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.635 6.477 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.825 6.821 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.406 3.722 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.290 4.207 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.719 5.053 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.601 5.341 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.581 4.504 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.388 4.155 -0.131 1.00 0.00 H new ATOM 968 N SER A 70 -2.214 6.553 0.479 1.00 0.00 N ATOM 969 CA SER A 70 -3.572 6.157 0.830 1.00 0.00 C ATOM 970 C SER A 70 -3.805 4.681 0.520 1.00 0.00 C ATOM 971 O SER A 70 -3.128 4.099 -0.329 1.00 0.00 O ATOM 972 CB SER A 70 -4.588 7.016 0.075 1.00 0.00 C ATOM 973 OG SER A 70 -5.176 6.292 -0.992 1.00 0.00 O ATOM 0 H SER A 70 -2.135 7.042 -0.413 1.00 0.00 H new ATOM 0 HA SER A 70 -3.703 6.310 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.365 7.353 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.097 7.908 -0.314 1.00 0.00 H new ATOM 0 HG SER A 70 -5.823 6.863 -1.457 1.00 0.00 H new ATOM 978 N PHE A 71 -4.768 4.082 1.212 1.00 0.00 N ATOM 979 CA PHE A 71 -5.092 2.675 1.012 1.00 0.00 C ATOM 980 C PHE A 71 -5.239 2.357 -0.473 1.00 0.00 C ATOM 981 O PHE A 71 -4.903 1.260 -0.920 1.00 0.00 O ATOM 982 CB PHE A 71 -6.381 2.315 1.754 1.00 0.00 C ATOM 983 CG PHE A 71 -6.617 0.835 1.861 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.558 -0.038 2.042 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.900 0.318 1.781 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.772 -1.400 2.142 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.121 -1.042 1.880 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.056 -1.903 2.060 1.00 0.00 C ATOM 0 H PHE A 71 -5.338 4.550 1.917 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.273 2.079 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.346 2.743 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.226 2.774 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.552 0.350 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.737 0.986 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.937 -2.070 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.126 -1.432 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.227 -2.967 2.136 1.00 0.00 H new ATOM 997 N ASP A 72 -5.745 3.323 -1.231 1.00 0.00 N ATOM 998 CA ASP A 72 -5.938 3.147 -2.666 1.00 0.00 C ATOM 999 C ASP A 72 -4.636 2.728 -3.342 1.00 0.00 C ATOM 1000 O ASP A 72 -4.578 1.694 -4.007 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.460 4.440 -3.294 1.00 0.00 C ATOM 1002 CG ASP A 72 -7.908 4.714 -2.937 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.381 5.840 -3.201 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.568 3.803 -2.396 1.00 0.00 O ATOM 0 H ASP A 72 -6.029 4.236 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.674 2.357 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.843 5.276 -2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.361 4.380 -4.378 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.597 3.538 -3.166 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.298 3.250 -3.762 1.00 0.00 C ATOM 1010 C GLU A 73 -1.807 1.862 -3.357 1.00 0.00 C ATOM 1011 O GLU A 73 -1.293 1.108 -4.182 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.274 4.307 -3.340 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.820 5.204 -4.480 1.00 0.00 C ATOM 1014 CD GLU A 73 -0.381 4.419 -5.701 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -1.187 4.293 -6.646 1.00 0.00 O ATOM 1016 OE2 GLU A 73 0.769 3.932 -5.710 1.00 0.00 O ATOM 0 H GLU A 73 -3.629 4.397 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.411 3.274 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.706 4.925 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.404 3.808 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.634 5.874 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.005 5.829 -4.139 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.972 1.533 -2.080 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.546 0.237 -1.564 1.00 0.00 C ATOM 1023 C PHE A 74 -2.180 -0.900 -2.359 1.00 0.00 C ATOM 1024 O PHE A 74 -1.488 -1.802 -2.832 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.915 0.108 -0.084 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.690 -1.269 0.471 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.581 -1.541 1.258 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.585 -2.293 0.206 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.372 -2.807 1.771 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.381 -3.561 0.717 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.271 -3.819 1.499 1.00 0.00 C ATOM 0 H PHE A 74 -2.397 2.145 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.463 0.170 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.329 0.824 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.963 0.377 0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.127 -0.754 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.452 -2.098 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.494 -3.005 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.088 -4.349 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.107 -4.810 1.896 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.500 -0.849 -2.502 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.228 -1.874 -3.240 1.00 0.00 C ATOM 1042 C ILE A 75 -3.697 -2.008 -4.663 1.00 0.00 C ATOM 1043 O ILE A 75 -3.271 -3.087 -5.080 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.735 -1.566 -3.294 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.329 -1.561 -1.883 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.453 -2.580 -4.173 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.138 -2.868 -1.144 1.00 0.00 C ATOM 0 H ILE A 75 -4.087 -0.109 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.077 -2.813 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.872 -0.576 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.871 -0.757 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.395 -1.341 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.518 -2.348 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.046 -2.538 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.310 -3.581 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.583 -2.793 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.620 -3.673 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.073 -3.080 -1.049 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.723 -0.907 -5.405 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.242 -0.898 -6.781 1.00 0.00 C ATOM 1060 C LYS A 76 -1.844 -1.504 -6.872 1.00 0.00 C ATOM 1061 O LYS A 76 -1.526 -2.213 -7.828 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.226 0.531 -7.329 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.162 0.600 -8.845 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.633 1.943 -9.320 1.00 0.00 C ATOM 1065 CE LYS A 76 -1.120 1.927 -9.462 1.00 0.00 C ATOM 1066 NZ LYS A 76 -0.532 3.285 -9.290 1.00 0.00 N ATOM 0 H LYS A 76 -4.073 -0.007 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.922 -1.503 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.120 1.052 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.369 1.061 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.521 -0.198 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.156 0.432 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.087 2.196 -10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.925 2.721 -8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.693 1.250 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.851 1.537 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.501 3.232 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.920 3.925 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.766 3.647 -8.344 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.016 -1.223 -5.873 1.00 0.00 N ATOM 1077 CA ILE A 77 0.345 -1.741 -5.839 1.00 0.00 C ATOM 1078 C ILE A 77 0.351 -3.260 -5.697 1.00 0.00 C ATOM 1079 O ILE A 77 0.991 -3.965 -6.477 1.00 0.00 O ATOM 1080 CB ILE A 77 1.156 -1.126 -4.683 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.417 0.358 -4.949 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.467 -1.875 -4.498 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.552 1.183 -3.689 1.00 0.00 C ATOM 0 H ILE A 77 -1.264 -0.638 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 77 0.811 -1.463 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 77 0.577 -1.216 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.328 0.458 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.602 0.760 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.029 -1.428 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.260 -2.920 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.054 -1.814 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.736 2.224 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.632 1.113 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.385 0.807 -3.096 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.368 -3.757 -4.696 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.446 -5.192 -4.451 1.00 0.00 C ATOM 1096 C PHE A 78 -1.026 -5.920 -5.660 1.00 0.00 C ATOM 1097 O PHE A 78 -0.440 -6.882 -6.160 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.303 -5.474 -3.213 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.276 -6.912 -2.781 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -2.451 -7.582 -2.483 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.074 -7.593 -2.669 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -2.429 -8.905 -2.084 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.046 -8.916 -2.272 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.225 -9.573 -1.977 1.00 0.00 C ATOM 0 H PHE A 78 -0.905 -3.187 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 78 0.565 -5.561 -4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.956 -4.849 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.333 -5.184 -3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.396 -7.064 -2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.851 -7.084 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.353 -9.416 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.897 -9.436 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.205 -10.606 -1.664 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.180 -5.455 -6.127 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.839 -6.061 -7.278 1.00 0.00 C ATOM 1115 C HIS A 79 -1.938 -6.012 -8.508 1.00 0.00 C ATOM 1116 O HIS A 79 -1.945 -6.927 -9.330 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.159 -5.346 -7.570 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.320 -6.277 -7.742 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.958 -6.470 -8.948 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.956 -7.073 -6.850 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.937 -7.343 -8.791 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.956 -7.725 -7.527 1.00 0.00 N ATOM 0 H HIS A 79 -2.678 -4.660 -5.726 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.044 -7.105 -7.041 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.376 -4.655 -6.756 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.046 -4.748 -8.474 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.720 -7.176 -5.801 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.608 -7.686 -9.565 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.608 -8.396 -7.120 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.163 -4.939 -8.626 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.267 -4.791 -9.758 1.00 0.00 C ATOM 1131 C GLY A 80 -0.992 -4.882 -11.086 1.00 0.00 C ATOM 1132 O GLY A 80 -0.447 -5.390 -12.066 1.00 0.00 O ATOM 0 H GLY A 80 -1.139 -4.169 -7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.243 -3.830 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.501 -5.563 -9.713 1.00 0.00 H new ATOM 1136 N LEU A 81 -2.225 -4.388 -11.120 1.00 0.00 N ATOM 1137 CA LEU A 81 -3.028 -4.416 -12.337 1.00 0.00 C ATOM 1138 C LEU A 81 -3.775 -3.100 -12.528 1.00 0.00 C ATOM 1139 O LEU A 81 -4.508 -2.657 -11.644 1.00 0.00 O ATOM 1140 CB LEU A 81 -4.022 -5.578 -12.289 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.440 -6.970 -12.533 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -4.117 -7.997 -11.637 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.586 -7.360 -13.997 1.00 0.00 C ATOM 0 H LEU A 81 -2.690 -3.963 -10.318 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.355 -4.556 -13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.507 -5.575 -11.313 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.799 -5.396 -13.031 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.378 -6.947 -12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.690 -8.982 -11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.962 -7.727 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.186 -8.018 -11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.166 -8.354 -14.152 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.642 -7.365 -14.269 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.055 -6.640 -14.620 1.00 0.00 H new ATOM 1154 N LYS A 82 -3.584 -2.481 -13.688 1.00 0.00 N ATOM 1155 CA LYS A 82 -4.242 -1.217 -13.997 1.00 0.00 C ATOM 1156 C LYS A 82 -5.747 -1.317 -13.773 1.00 0.00 C ATOM 1157 O LYS A 82 -6.288 -0.718 -12.842 1.00 0.00 O ATOM 1158 CB LYS A 82 -3.958 -0.812 -15.445 1.00 0.00 C ATOM 1159 CG LYS A 82 -2.488 -0.544 -15.725 1.00 0.00 C ATOM 1160 CD LYS A 82 -2.307 0.389 -16.910 1.00 0.00 C ATOM 1161 CE LYS A 82 -1.018 0.092 -17.662 1.00 0.00 C ATOM 1162 NZ LYS A 82 -1.221 -0.923 -18.732 1.00 0.00 N ATOM 0 H LYS A 82 -2.979 -2.834 -14.430 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.843 -0.456 -13.327 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.308 -1.602 -16.110 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.534 0.083 -15.683 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.022 -0.106 -14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.976 -1.486 -15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.156 0.288 -17.587 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.297 1.422 -16.563 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.634 1.012 -18.103 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.263 -0.265 -16.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.320 -1.097 -19.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.563 -1.810 -18.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.923 -0.572 -19.415 1.00 0.00 H new TER 1172 LYS A 82