USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 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 3 THR OG1 : rot 180:sc=-0.00251 USER MOD Single : A 4 LYS NZ :NH3+ -150:sc= 1.27 (180deg=0.25) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.775 (180deg=-2.23!) USER MOD Single : A 8 GLN : amide:sc= -1.95! C(o=-1.9!,f=-7!) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 1.12 (180deg=1.04) USER MOD Single : A 12 GLN : amide:sc= -0.02 K(o=-0.02,f=-1.3) USER MOD Single : A 21 THR OG1 : rot -20:sc= -0.196 USER MOD Single : A 23 SER OG : rot -175:sc= -1.27! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.59) USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.575 USER MOD Single : A 36 ASN : amide:sc= 1.17 K(o=1.2,f=-0.22) USER MOD Single : A 39 SER OG : rot 80:sc= 1.25 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0362 (180deg=-0.295) USER MOD Single : A 45 HIS : no HE2:sc= 0.788 K(o=0.79,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -0.0142 (180deg=-0.145) USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000486) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.997 K(o=1,f=-3.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00393 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -176:sc= -0.958 (180deg=-1.03) USER MOD Single : A 61 GLN : amide:sc= -0.168 K(o=-0.17,f=-12!) USER MOD Single : A 68 TYR OH : rot -106:sc= 1.23 USER MOD Single : A 70 GLN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.050 19.441 -13.798 1.00 1.00 N ATOM 2 CA PRO A 1 -12.441 20.628 -13.011 1.00 1.00 C ATOM 3 C PRO A 1 -13.202 20.185 -11.792 1.00 1.00 C ATOM 4 O PRO A 1 -13.513 19.013 -11.658 1.00 1.00 O ATOM 5 CB PRO A 1 -13.336 21.526 -13.857 1.00 1.00 C ATOM 6 CG PRO A 1 -13.508 20.780 -15.136 1.00 1.00 C ATOM 7 CD PRO A 1 -13.016 19.361 -14.913 1.00 1.00 C ATOM 0 H2 PRO A 1 -12.080 18.597 -13.226 1.00 1.00 H new ATOM 0 H3 PRO A 1 -11.096 19.531 -14.146 1.00 1.00 H new ATOM 0 HA PRO A 1 -11.548 21.177 -12.712 1.00 1.00 H new ATOM 0 HB2 PRO A 1 -14.294 21.705 -13.369 1.00 1.00 H new ATOM 0 HB3 PRO A 1 -12.877 22.500 -14.024 1.00 1.00 H new ATOM 0 HG2 PRO A 1 -14.555 20.778 -15.440 1.00 1.00 H new ATOM 0 HG3 PRO A 1 -12.944 21.259 -15.937 1.00 1.00 H new ATOM 0 HD2 PRO A 1 -13.843 18.695 -14.667 1.00 1.00 H new ATOM 0 HD3 PRO A 1 -12.544 18.965 -15.812 1.00 1.00 H new ATOM 17 N ILE A 2 -13.455 21.082 -10.886 1.00 1.00 N ATOM 18 CA ILE A 2 -14.255 20.721 -9.743 1.00 1.00 C ATOM 19 C ILE A 2 -15.589 21.407 -9.882 1.00 1.00 C ATOM 20 O ILE A 2 -15.703 22.626 -10.022 1.00 1.00 O ATOM 21 CB ILE A 2 -13.581 20.976 -8.380 1.00 1.00 C ATOM 22 CG1 ILE A 2 -14.607 20.871 -7.242 1.00 1.00 C ATOM 23 CG2 ILE A 2 -12.856 22.303 -8.355 1.00 1.00 C ATOM 24 CD1 ILE A 2 -15.102 19.459 -6.988 1.00 1.00 C ATOM 0 H ILE A 2 -13.130 22.049 -10.909 1.00 1.00 H new ATOM 0 HA ILE A 2 -14.388 19.639 -9.741 1.00 1.00 H new ATOM 0 HB ILE A 2 -12.829 20.202 -8.228 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -14.160 21.259 -6.327 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -15.460 21.508 -7.475 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -12.394 22.447 -7.378 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -12.085 22.311 -9.126 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -13.566 23.109 -8.543 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -15.823 19.468 -6.170 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -15.579 19.073 -7.889 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -14.260 18.820 -6.722 1.00 1.00 H new ATOM 36 N THR A 3 -16.584 20.580 -9.906 1.00 1.00 N ATOM 37 CA THR A 3 -17.934 20.998 -10.135 1.00 1.00 C ATOM 38 C THR A 3 -18.861 20.253 -9.184 1.00 1.00 C ATOM 39 O THR A 3 -18.438 19.301 -8.535 1.00 1.00 O ATOM 40 CB THR A 3 -18.291 20.684 -11.609 1.00 1.00 C ATOM 41 OG1 THR A 3 -17.152 20.916 -12.462 1.00 1.00 O ATOM 42 CG2 THR A 3 -19.437 21.539 -12.081 1.00 1.00 C ATOM 0 H THR A 3 -16.482 19.575 -9.764 1.00 1.00 H new ATOM 0 HA THR A 3 -18.047 22.067 -9.953 1.00 1.00 H new ATOM 0 HB THR A 3 -18.583 19.635 -11.661 1.00 1.00 H new ATOM 0 HG1 THR A 3 -17.391 20.712 -13.390 1.00 1.00 H new ATOM 0 HG21 THR A 3 -19.667 21.298 -13.119 1.00 1.00 H new ATOM 0 HG22 THR A 3 -20.313 21.348 -11.461 1.00 1.00 H new ATOM 0 HG23 THR A 3 -19.162 22.591 -12.005 1.00 1.00 H new ATOM 50 N LYS A 4 -20.105 20.672 -9.059 1.00 1.00 N ATOM 51 CA LYS A 4 -21.013 19.964 -8.160 1.00 1.00 C ATOM 52 C LYS A 4 -21.293 18.529 -8.661 1.00 1.00 C ATOM 53 O LYS A 4 -21.353 17.606 -7.853 1.00 1.00 O ATOM 54 CB LYS A 4 -22.306 20.745 -7.903 1.00 1.00 C ATOM 55 CG LYS A 4 -23.151 21.014 -9.130 1.00 1.00 C ATOM 56 CD LYS A 4 -24.322 21.930 -8.799 1.00 1.00 C ATOM 57 CE LYS A 4 -25.281 22.072 -9.974 1.00 1.00 C ATOM 58 NZ LYS A 4 -24.574 22.416 -11.237 1.00 1.00 N ATOM 0 H LYS A 4 -20.507 21.472 -9.548 1.00 1.00 H new ATOM 0 HA LYS A 4 -20.510 19.882 -7.197 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -22.908 20.193 -7.181 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -22.050 21.699 -7.442 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -22.536 21.470 -9.906 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -23.524 20.072 -9.532 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -24.860 21.535 -7.937 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -23.945 22.913 -8.517 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -25.829 21.139 -10.109 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -26.017 22.844 -9.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -25.203 22.979 -11.845 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -23.720 22.968 -11.018 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -24.304 21.543 -11.733 1.00 1.00 H new ATOM 72 N GLU A 5 -21.421 18.327 -9.986 1.00 1.00 N ATOM 73 CA GLU A 5 -21.631 16.963 -10.528 1.00 1.00 C ATOM 74 C GLU A 5 -20.317 16.212 -10.451 1.00 1.00 C ATOM 75 O GLU A 5 -20.265 14.984 -10.512 1.00 1.00 O ATOM 76 CB GLU A 5 -22.058 16.941 -12.000 1.00 1.00 C ATOM 77 CG GLU A 5 -23.362 17.650 -12.312 1.00 1.00 C ATOM 78 CD GLU A 5 -23.262 19.163 -12.170 1.00 1.00 C ATOM 79 OE1 GLU A 5 -22.190 19.725 -12.473 1.00 1.00 O ATOM 80 OE2 GLU A 5 -24.243 19.797 -11.729 1.00 1.00 O ATOM 0 H GLU A 5 -21.385 19.066 -10.688 1.00 1.00 H new ATOM 0 HA GLU A 5 -22.428 16.515 -9.934 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -21.266 17.394 -12.597 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -22.144 15.903 -12.320 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -23.669 17.405 -13.329 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -24.140 17.278 -11.646 1.00 1.00 H new ATOM 87 N GLU A 6 -19.243 16.971 -10.299 1.00 1.00 N ATOM 88 CA GLU A 6 -17.926 16.403 -10.216 1.00 1.00 C ATOM 89 C GLU A 6 -17.724 15.907 -8.810 1.00 1.00 C ATOM 90 O GLU A 6 -17.087 14.889 -8.554 1.00 1.00 O ATOM 91 CB GLU A 6 -16.912 17.458 -10.591 1.00 1.00 C ATOM 92 CG GLU A 6 -16.699 17.500 -12.083 1.00 1.00 C ATOM 93 CD GLU A 6 -16.406 16.122 -12.635 1.00 1.00 C ATOM 94 OE1 GLU A 6 -15.350 15.561 -12.282 1.00 1.00 O ATOM 95 OE2 GLU A 6 -17.238 15.599 -13.406 1.00 1.00 O ATOM 0 H GLU A 6 -19.269 17.988 -10.231 1.00 1.00 H new ATOM 0 HA GLU A 6 -17.804 15.566 -10.904 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -17.251 18.433 -10.241 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -15.966 17.251 -10.091 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -17.586 17.907 -12.568 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -15.872 18.171 -12.316 1.00 1.00 H new ATOM 102 N LYS A 7 -18.334 16.631 -7.885 1.00 1.00 N ATOM 103 CA LYS A 7 -18.287 16.269 -6.509 1.00 1.00 C ATOM 104 C LYS A 7 -19.225 15.080 -6.287 1.00 1.00 C ATOM 105 O LYS A 7 -18.903 14.158 -5.548 1.00 1.00 O ATOM 106 CB LYS A 7 -18.680 17.465 -5.656 1.00 1.00 C ATOM 107 CG LYS A 7 -18.417 17.237 -4.182 1.00 1.00 C ATOM 108 CD LYS A 7 -18.668 18.476 -3.328 1.00 1.00 C ATOM 109 CE LYS A 7 -20.145 18.717 -2.995 1.00 1.00 C ATOM 110 NZ LYS A 7 -20.994 19.009 -4.189 1.00 1.00 N ATOM 0 H LYS A 7 -18.868 17.478 -8.082 1.00 1.00 H new ATOM 0 HA LYS A 7 -17.279 15.975 -6.218 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -18.126 18.343 -5.989 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -19.738 17.681 -5.804 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -19.052 16.425 -3.828 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -17.384 16.915 -4.049 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -18.107 18.383 -2.398 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -18.277 19.349 -3.850 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -20.541 17.838 -2.486 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -20.219 19.550 -2.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -21.801 19.601 -3.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -20.429 19.513 -4.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -21.344 18.117 -4.593 1.00 1.00 H new ATOM 124 N GLN A 8 -20.378 15.093 -6.968 1.00 1.00 N ATOM 125 CA GLN A 8 -21.328 13.980 -6.869 1.00 1.00 C ATOM 126 C GLN A 8 -20.669 12.706 -7.397 1.00 1.00 C ATOM 127 O GLN A 8 -20.845 11.619 -6.853 1.00 1.00 O ATOM 128 CB GLN A 8 -22.614 14.267 -7.656 1.00 1.00 C ATOM 129 CG GLN A 8 -23.511 15.318 -7.015 1.00 1.00 C ATOM 130 CD GLN A 8 -24.072 14.887 -5.670 1.00 1.00 C ATOM 131 OE1 GLN A 8 -23.454 14.140 -4.928 1.00 1.00 O ATOM 132 NE2 GLN A 8 -25.254 15.366 -5.340 1.00 1.00 N ATOM 0 H GLN A 8 -20.672 15.850 -7.585 1.00 1.00 H new ATOM 0 HA GLN A 8 -21.601 13.853 -5.821 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -22.347 14.595 -8.661 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -23.177 13.340 -7.763 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -22.944 16.240 -6.886 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -24.336 15.543 -7.690 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -25.749 15.988 -5.979 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -25.675 15.114 -4.445 1.00 1.00 H new ATOM 141 N LYS A 9 -19.893 12.867 -8.464 1.00 1.00 N ATOM 142 CA LYS A 9 -19.152 11.765 -9.064 1.00 1.00 C ATOM 143 C LYS A 9 -18.139 11.202 -8.052 1.00 1.00 C ATOM 144 O LYS A 9 -17.980 9.990 -7.926 1.00 1.00 O ATOM 145 CB LYS A 9 -18.433 12.271 -10.320 1.00 1.00 C ATOM 146 CG LYS A 9 -17.906 11.176 -11.234 1.00 1.00 C ATOM 147 CD LYS A 9 -19.038 10.379 -11.863 1.00 1.00 C ATOM 148 CE LYS A 9 -18.529 9.397 -12.911 1.00 1.00 C ATOM 149 NZ LYS A 9 -17.678 8.327 -12.322 1.00 1.00 N ATOM 0 H LYS A 9 -19.761 13.762 -8.935 1.00 1.00 H new ATOM 0 HA LYS A 9 -19.839 10.966 -9.342 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -19.120 12.900 -10.887 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -17.599 12.904 -10.015 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -17.293 11.620 -12.018 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.261 10.506 -10.666 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -19.574 9.834 -11.086 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.751 11.063 -12.323 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -19.378 8.942 -13.421 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.957 9.938 -13.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -17.497 7.594 -13.037 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -16.775 8.735 -12.008 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -18.167 7.903 -11.508 1.00 1.00 H new ATOM 163 N VAL A 10 -17.479 12.102 -7.314 1.00 1.00 N ATOM 164 CA VAL A 10 -16.490 11.707 -6.296 1.00 1.00 C ATOM 165 C VAL A 10 -17.145 10.898 -5.167 1.00 1.00 C ATOM 166 O VAL A 10 -16.604 9.900 -4.692 1.00 1.00 O ATOM 167 CB VAL A 10 -15.771 12.940 -5.690 1.00 1.00 C ATOM 168 CG1 VAL A 10 -14.886 12.542 -4.518 1.00 1.00 C ATOM 169 CG2 VAL A 10 -14.937 13.641 -6.748 1.00 1.00 C ATOM 0 H VAL A 10 -17.610 13.110 -7.400 1.00 1.00 H new ATOM 0 HA VAL A 10 -15.753 11.083 -6.802 1.00 1.00 H new ATOM 0 HB VAL A 10 -16.538 13.624 -5.325 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -14.396 13.428 -4.115 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -15.496 12.080 -3.742 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -14.131 11.832 -4.857 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -14.439 14.504 -6.306 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -14.189 12.951 -7.138 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -15.584 13.972 -7.561 1.00 1.00 H new ATOM 179 N ILE A 11 -18.314 11.344 -4.775 1.00 1.00 N ATOM 180 CA ILE A 11 -19.111 10.702 -3.728 1.00 1.00 C ATOM 181 C ILE A 11 -19.542 9.315 -4.170 1.00 1.00 C ATOM 182 O ILE A 11 -19.496 8.331 -3.428 1.00 1.00 O ATOM 183 CB ILE A 11 -20.367 11.547 -3.495 1.00 1.00 C ATOM 184 CG1 ILE A 11 -19.971 12.939 -3.023 1.00 1.00 C ATOM 185 CG2 ILE A 11 -21.296 10.883 -2.498 1.00 1.00 C ATOM 186 CD1 ILE A 11 -18.833 12.919 -2.026 1.00 1.00 C ATOM 0 H ILE A 11 -18.755 12.174 -5.172 1.00 1.00 H new ATOM 0 HA ILE A 11 -18.515 10.620 -2.819 1.00 1.00 H new ATOM 0 HB ILE A 11 -20.907 11.634 -4.438 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -19.683 13.541 -3.884 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -20.836 13.424 -2.570 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -22.179 11.506 -2.353 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -21.599 9.907 -2.877 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -20.779 10.758 -1.546 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -18.595 13.939 -1.726 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -19.127 12.342 -1.149 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -17.956 12.461 -2.484 1.00 1.00 H new ATOM 198 N GLN A 12 -19.959 9.273 -5.415 1.00 1.00 N ATOM 199 CA GLN A 12 -20.407 8.067 -6.043 1.00 1.00 C ATOM 200 C GLN A 12 -19.271 7.053 -6.156 1.00 1.00 C ATOM 201 O GLN A 12 -19.429 5.879 -5.827 1.00 1.00 O ATOM 202 CB GLN A 12 -20.928 8.410 -7.430 1.00 1.00 C ATOM 203 CG GLN A 12 -21.582 7.235 -8.121 1.00 1.00 C ATOM 204 CD GLN A 12 -22.038 7.555 -9.523 1.00 1.00 C ATOM 205 OE1 GLN A 12 -21.435 8.358 -10.227 1.00 1.00 O ATOM 206 NE2 GLN A 12 -23.108 6.922 -9.944 1.00 1.00 N ATOM 0 H GLN A 12 -19.994 10.092 -6.022 1.00 1.00 H new ATOM 0 HA GLN A 12 -21.196 7.621 -5.438 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -21.648 9.225 -7.351 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -20.103 8.772 -8.043 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -20.879 6.403 -8.155 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -22.438 6.905 -7.533 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -23.584 6.261 -9.330 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -23.464 7.091 -10.885 1.00 1.00 H new ATOM 215 N GLU A 13 -18.122 7.513 -6.624 1.00 1.00 N ATOM 216 CA GLU A 13 -16.973 6.634 -6.790 1.00 1.00 C ATOM 217 C GLU A 13 -16.374 6.229 -5.455 1.00 1.00 C ATOM 218 O GLU A 13 -16.145 5.047 -5.204 1.00 1.00 O ATOM 219 CB GLU A 13 -15.927 7.281 -7.684 1.00 1.00 C ATOM 220 CG GLU A 13 -16.385 7.327 -9.126 1.00 1.00 C ATOM 221 CD GLU A 13 -15.380 7.955 -10.057 1.00 1.00 C ATOM 222 OE1 GLU A 13 -14.266 7.422 -10.172 1.00 1.00 O ATOM 223 OE2 GLU A 13 -15.732 8.961 -10.710 1.00 1.00 O ATOM 0 H GLU A 13 -17.959 8.483 -6.894 1.00 1.00 H new ATOM 0 HA GLU A 13 -17.324 5.723 -7.274 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -15.722 8.292 -7.333 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.993 6.724 -7.615 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -16.597 6.313 -9.464 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -17.320 7.884 -9.184 1.00 1.00 H new ATOM 230 N PHE A 14 -16.102 7.189 -4.603 1.00 1.00 N ATOM 231 CA PHE A 14 -15.566 6.858 -3.287 1.00 1.00 C ATOM 232 C PHE A 14 -16.329 7.602 -2.183 1.00 1.00 C ATOM 233 O PHE A 14 -17.273 7.084 -1.599 1.00 1.00 O ATOM 234 CB PHE A 14 -14.057 7.178 -3.187 1.00 1.00 C ATOM 235 CG PHE A 14 -13.200 6.656 -4.319 1.00 1.00 C ATOM 236 CD1 PHE A 14 -12.707 5.364 -4.284 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.870 7.464 -5.406 1.00 1.00 C ATOM 238 CE1 PHE A 14 -11.896 4.882 -5.294 1.00 1.00 C ATOM 239 CE2 PHE A 14 -12.061 6.982 -6.424 1.00 1.00 C ATOM 240 CZ PHE A 14 -11.578 5.689 -6.368 1.00 1.00 C ATOM 0 H PHE A 14 -16.236 8.184 -4.782 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.696 5.785 -3.149 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.936 8.260 -3.133 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.679 6.768 -2.250 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -12.960 4.721 -3.454 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -13.248 8.475 -5.456 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -11.511 3.874 -5.243 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.809 7.617 -7.260 1.00 1.00 H new ATOM 0 HZ PHE A 14 -10.953 5.310 -7.163 1.00 1.00 H new ATOM 250 N ALA A 15 -15.903 8.837 -1.965 1.00 1.00 N ATOM 251 CA ALA A 15 -16.420 9.764 -0.946 1.00 1.00 C ATOM 252 C ALA A 15 -15.311 10.786 -0.721 1.00 1.00 C ATOM 253 O ALA A 15 -15.448 11.982 -0.963 1.00 1.00 O ATOM 254 CB ALA A 15 -16.733 9.065 0.379 1.00 1.00 C ATOM 0 H ALA A 15 -15.150 9.249 -2.517 1.00 1.00 H new ATOM 0 HA ALA A 15 -17.354 10.209 -1.289 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -17.111 9.795 1.095 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -17.486 8.294 0.215 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -15.825 8.607 0.772 1.00 1.00 H new ATOM 260 N ARG A 16 -14.185 10.221 -0.277 1.00 1.00 N ATOM 261 CA ARG A 16 -12.923 10.925 -0.028 1.00 1.00 C ATOM 262 C ARG A 16 -12.971 11.848 1.190 1.00 1.00 C ATOM 263 O ARG A 16 -12.167 12.761 1.358 1.00 1.00 O ATOM 264 CB ARG A 16 -12.402 11.600 -1.297 1.00 1.00 C ATOM 265 CG ARG A 16 -11.888 10.567 -2.303 1.00 1.00 C ATOM 266 CD ARG A 16 -11.491 11.182 -3.655 1.00 1.00 C ATOM 267 NE ARG A 16 -10.440 12.204 -3.529 1.00 1.00 N ATOM 268 CZ ARG A 16 -9.961 12.935 -4.519 1.00 1.00 C ATOM 269 NH1 ARG A 16 -10.286 12.704 -5.751 1.00 1.00 N ATOM 270 NH2 ARG A 16 -9.128 13.887 -4.260 1.00 1.00 N ATOM 0 H ARG A 16 -14.125 9.223 -0.073 1.00 1.00 H new ATOM 0 HA ARG A 16 -12.186 10.169 0.244 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -13.198 12.189 -1.752 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -11.600 12.292 -1.041 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -11.026 10.053 -1.878 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -12.659 9.814 -2.466 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -11.145 10.392 -4.321 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -12.371 11.627 -4.119 1.00 1.00 H new ATOM 0 HE ARG A 16 -10.049 12.361 -2.600 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -10.926 11.942 -5.975 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -9.902 13.284 -6.497 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -8.845 14.069 -3.297 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -8.753 14.457 -5.018 1.00 1.00 H new ATOM 284 N PHE A 17 -13.930 11.559 2.029 1.00 1.00 N ATOM 285 CA PHE A 17 -14.112 12.208 3.307 1.00 1.00 C ATOM 286 C PHE A 17 -14.358 11.058 4.283 1.00 1.00 C ATOM 287 O PHE A 17 -15.138 10.160 3.967 1.00 1.00 O ATOM 288 CB PHE A 17 -15.287 13.191 3.292 1.00 1.00 C ATOM 289 CG PHE A 17 -15.089 14.404 2.421 1.00 1.00 C ATOM 290 CD1 PHE A 17 -14.278 15.458 2.826 1.00 1.00 C ATOM 291 CD2 PHE A 17 -15.729 14.493 1.198 1.00 1.00 C ATOM 292 CE1 PHE A 17 -14.126 16.578 2.028 1.00 1.00 C ATOM 293 CE2 PHE A 17 -15.579 15.606 0.396 1.00 1.00 C ATOM 294 CZ PHE A 17 -14.772 16.648 0.808 1.00 1.00 C ATOM 0 H PHE A 17 -14.631 10.842 1.839 1.00 1.00 H new ATOM 0 HA PHE A 17 -13.247 12.812 3.583 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -16.179 12.663 2.956 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -15.478 13.522 4.313 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -13.762 15.402 3.773 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -16.356 13.679 0.866 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -13.503 17.397 2.358 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -16.092 15.662 -0.553 1.00 1.00 H new ATOM 0 HZ PHE A 17 -14.646 17.516 0.178 1.00 1.00 H new ATOM 304 N PRO A 18 -13.677 11.020 5.434 1.00 1.00 N ATOM 305 CA PRO A 18 -13.799 9.917 6.406 1.00 1.00 C ATOM 306 C PRO A 18 -15.223 9.392 6.612 1.00 1.00 C ATOM 307 O PRO A 18 -16.013 9.964 7.359 1.00 1.00 O ATOM 308 CB PRO A 18 -13.244 10.526 7.684 1.00 1.00 C ATOM 309 CG PRO A 18 -12.231 11.509 7.208 1.00 1.00 C ATOM 310 CD PRO A 18 -12.751 12.059 5.903 1.00 1.00 C ATOM 0 HA PRO A 18 -13.268 9.031 6.058 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -14.027 11.011 8.267 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -12.793 9.767 8.324 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -12.091 12.307 7.937 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -11.261 11.031 7.069 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -13.258 13.014 6.044 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -11.944 12.229 5.190 1.00 1.00 H new ATOM 318 N GLY A 19 -15.526 8.290 5.920 1.00 1.00 N ATOM 319 CA GLY A 19 -16.835 7.666 6.013 1.00 1.00 C ATOM 320 C GLY A 19 -17.997 8.609 5.680 1.00 1.00 C ATOM 321 O GLY A 19 -19.096 8.425 6.193 1.00 1.00 O ATOM 0 H GLY A 19 -14.878 7.817 5.291 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -16.868 6.811 5.337 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -16.972 7.279 7.023 1.00 1.00 H new ATOM 325 N ASP A 20 -17.773 9.582 4.789 1.00 1.00 N ATOM 326 CA ASP A 20 -18.815 10.572 4.442 1.00 1.00 C ATOM 327 C ASP A 20 -20.060 9.888 3.902 1.00 1.00 C ATOM 328 O ASP A 20 -21.163 9.991 4.441 1.00 1.00 O ATOM 329 CB ASP A 20 -18.288 11.557 3.386 1.00 1.00 C ATOM 330 CG ASP A 20 -19.368 12.451 2.807 1.00 1.00 C ATOM 331 OD1 ASP A 20 -20.048 12.023 1.846 1.00 1.00 O ATOM 332 OD2 ASP A 20 -19.517 13.584 3.301 1.00 1.00 O ATOM 0 H ASP A 20 -16.889 9.710 4.296 1.00 1.00 H new ATOM 0 HA ASP A 20 -19.073 11.112 5.353 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -17.513 12.179 3.834 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -17.819 10.996 2.578 1.00 1.00 H new ATOM 337 N THR A 21 -19.853 9.170 2.825 1.00 1.00 N ATOM 338 CA THR A 21 -20.891 8.460 2.169 1.00 1.00 C ATOM 339 C THR A 21 -21.010 7.059 2.771 1.00 1.00 C ATOM 340 O THR A 21 -21.823 6.248 2.344 1.00 1.00 O ATOM 341 CB THR A 21 -20.506 8.402 0.686 1.00 1.00 C ATOM 342 OG1 THR A 21 -19.957 9.672 0.287 1.00 1.00 O ATOM 343 CG2 THR A 21 -21.678 8.062 -0.196 1.00 1.00 C ATOM 0 H THR A 21 -18.939 9.070 2.383 1.00 1.00 H new ATOM 0 HA THR A 21 -21.860 8.945 2.288 1.00 1.00 H new ATOM 0 HB THR A 21 -19.766 7.610 0.567 1.00 1.00 H new ATOM 0 HG1 THR A 21 -20.236 10.363 0.923 1.00 1.00 H new ATOM 0 HG21 THR A 21 -21.354 8.033 -1.236 1.00 1.00 H new ATOM 0 HG22 THR A 21 -22.076 7.088 0.087 1.00 1.00 H new ATOM 0 HG23 THR A 21 -22.454 8.819 -0.078 1.00 1.00 H new ATOM 351 N GLY A 22 -20.227 6.821 3.835 1.00 1.00 N ATOM 352 CA GLY A 22 -20.186 5.510 4.472 1.00 1.00 C ATOM 353 C GLY A 22 -19.713 4.453 3.502 1.00 1.00 C ATOM 354 O GLY A 22 -20.119 3.296 3.547 1.00 1.00 O ATOM 0 H GLY A 22 -19.620 7.519 4.265 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -19.521 5.541 5.335 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -21.177 5.251 4.843 1.00 1.00 H new ATOM 358 N SER A 23 -18.834 4.872 2.627 1.00 1.00 N ATOM 359 CA SER A 23 -18.298 4.010 1.597 1.00 1.00 C ATOM 360 C SER A 23 -17.100 3.228 2.092 1.00 1.00 C ATOM 361 O SER A 23 -16.418 3.630 3.026 1.00 1.00 O ATOM 362 CB SER A 23 -17.863 4.871 0.412 1.00 1.00 C ATOM 363 OG SER A 23 -18.832 5.869 0.128 1.00 1.00 O ATOM 0 H SER A 23 -18.467 5.823 2.607 1.00 1.00 H new ATOM 0 HA SER A 23 -19.074 3.302 1.307 1.00 1.00 H new ATOM 0 HB2 SER A 23 -16.904 5.341 0.632 1.00 1.00 H new ATOM 0 HB3 SER A 23 -17.716 4.241 -0.465 1.00 1.00 H new ATOM 0 HG SER A 23 -18.572 6.356 -0.682 1.00 1.00 H new ATOM 369 N THR A 24 -16.873 2.096 1.488 1.00 1.00 N ATOM 370 CA THR A 24 -15.698 1.311 1.794 1.00 1.00 C ATOM 371 C THR A 24 -14.628 1.821 0.842 1.00 1.00 C ATOM 372 O THR A 24 -13.426 1.814 1.112 1.00 1.00 O ATOM 373 CB THR A 24 -15.967 -0.187 1.588 1.00 1.00 C ATOM 374 OG1 THR A 24 -17.195 -0.540 2.242 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.833 -1.033 2.133 1.00 1.00 C ATOM 0 H THR A 24 -17.484 1.691 0.779 1.00 1.00 H new ATOM 0 HA THR A 24 -15.394 1.415 2.835 1.00 1.00 H new ATOM 0 HB THR A 24 -16.043 -0.380 0.518 1.00 1.00 H new ATOM 0 HG1 THR A 24 -17.372 -1.495 2.112 1.00 1.00 H new ATOM 0 HG21 THR A 24 -15.055 -2.088 1.971 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.907 -0.774 1.620 1.00 1.00 H new ATOM 0 HG23 THR A 24 -14.720 -0.846 3.201 1.00 1.00 H new ATOM 383 N GLU A 25 -15.153 2.342 -0.259 1.00 1.00 N ATOM 384 CA GLU A 25 -14.398 2.968 -1.337 1.00 1.00 C ATOM 385 C GLU A 25 -13.530 4.106 -0.806 1.00 1.00 C ATOM 386 O GLU A 25 -12.441 4.359 -1.312 1.00 1.00 O ATOM 387 CB GLU A 25 -15.383 3.583 -2.335 1.00 1.00 C ATOM 388 CG GLU A 25 -16.206 2.601 -3.151 1.00 1.00 C ATOM 389 CD GLU A 25 -17.010 1.612 -2.328 1.00 1.00 C ATOM 390 OE1 GLU A 25 -17.616 2.011 -1.308 1.00 1.00 O ATOM 391 OE2 GLU A 25 -17.034 0.428 -2.698 1.00 1.00 O ATOM 0 H GLU A 25 -16.158 2.340 -0.433 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.769 2.207 -1.799 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -16.066 4.232 -1.787 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.824 4.217 -3.023 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.889 3.162 -3.789 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -15.537 2.046 -3.810 1.00 1.00 H new ATOM 398 N VAL A 26 -14.047 4.817 0.205 1.00 1.00 N ATOM 399 CA VAL A 26 -13.329 5.940 0.800 1.00 1.00 C ATOM 400 C VAL A 26 -11.963 5.509 1.337 1.00 1.00 C ATOM 401 O VAL A 26 -10.972 6.197 1.116 1.00 1.00 O ATOM 402 CB VAL A 26 -14.154 6.639 1.912 1.00 1.00 C ATOM 403 CG1 VAL A 26 -14.334 5.756 3.139 1.00 1.00 C ATOM 404 CG2 VAL A 26 -13.515 7.960 2.309 1.00 1.00 C ATOM 0 H VAL A 26 -14.958 4.631 0.624 1.00 1.00 H new ATOM 0 HA VAL A 26 -13.171 6.666 0.002 1.00 1.00 H new ATOM 0 HB VAL A 26 -15.143 6.831 1.497 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.918 6.290 3.889 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.856 4.842 2.856 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -13.357 5.503 3.552 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -14.111 8.432 3.090 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -12.507 7.779 2.681 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -13.469 8.617 1.441 1.00 1.00 H new ATOM 414 N GLN A 27 -11.889 4.344 1.982 1.00 1.00 N ATOM 415 CA GLN A 27 -10.606 3.874 2.510 1.00 1.00 C ATOM 416 C GLN A 27 -9.814 3.168 1.414 1.00 1.00 C ATOM 417 O GLN A 27 -8.618 2.912 1.548 1.00 1.00 O ATOM 418 CB GLN A 27 -10.766 2.997 3.754 1.00 1.00 C ATOM 419 CG GLN A 27 -11.706 1.814 3.608 1.00 1.00 C ATOM 420 CD GLN A 27 -11.709 0.936 4.847 1.00 1.00 C ATOM 421 OE1 GLN A 27 -11.455 1.395 5.952 1.00 1.00 O ATOM 422 NE2 GLN A 27 -11.991 -0.337 4.671 1.00 1.00 N ATOM 0 H GLN A 27 -12.680 3.722 2.149 1.00 1.00 H new ATOM 0 HA GLN A 27 -10.042 4.748 2.835 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -9.783 2.623 4.042 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.122 3.622 4.573 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -12.717 2.175 3.417 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -11.410 1.220 2.743 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -12.199 -0.689 3.736 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.002 -0.972 5.469 1.00 1.00 H new ATOM 431 N VAL A 28 -10.509 2.825 0.341 1.00 1.00 N ATOM 432 CA VAL A 28 -9.873 2.258 -0.829 1.00 1.00 C ATOM 433 C VAL A 28 -9.171 3.405 -1.576 1.00 1.00 C ATOM 434 O VAL A 28 -8.091 3.243 -2.146 1.00 1.00 O ATOM 435 CB VAL A 28 -10.908 1.545 -1.723 1.00 1.00 C ATOM 436 CG1 VAL A 28 -10.338 1.187 -3.085 1.00 1.00 C ATOM 437 CG2 VAL A 28 -11.433 0.301 -1.021 1.00 1.00 C ATOM 0 H VAL A 28 -11.520 2.932 0.260 1.00 1.00 H new ATOM 0 HA VAL A 28 -9.141 1.503 -0.542 1.00 1.00 H new ATOM 0 HB VAL A 28 -11.731 2.239 -1.893 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -11.103 0.687 -3.679 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -10.018 2.095 -3.596 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -9.484 0.522 -2.959 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -12.163 -0.196 -1.659 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -10.606 -0.379 -0.818 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.907 0.586 -0.082 1.00 1.00 H new ATOM 447 N ALA A 29 -9.785 4.590 -1.522 1.00 1.00 N ATOM 448 CA ALA A 29 -9.202 5.785 -2.123 1.00 1.00 C ATOM 449 C ALA A 29 -7.930 6.154 -1.370 1.00 1.00 C ATOM 450 O ALA A 29 -6.931 6.555 -1.963 1.00 1.00 O ATOM 451 CB ALA A 29 -10.187 6.943 -2.095 1.00 1.00 C ATOM 0 H ALA A 29 -10.685 4.744 -1.068 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.962 5.577 -3.166 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.729 7.822 -2.549 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -11.083 6.672 -2.653 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.457 7.166 -1.063 1.00 1.00 H new ATOM 457 N LEU A 30 -7.964 6.006 -0.050 1.00 1.00 N ATOM 458 CA LEU A 30 -6.780 6.290 0.744 1.00 1.00 C ATOM 459 C LEU A 30 -5.774 5.121 0.654 1.00 1.00 C ATOM 460 O LEU A 30 -4.575 5.320 0.835 1.00 1.00 O ATOM 461 CB LEU A 30 -7.141 6.670 2.198 1.00 1.00 C ATOM 462 CG LEU A 30 -7.614 5.553 3.146 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.442 4.779 3.743 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.461 6.158 4.264 1.00 1.00 C ATOM 0 H LEU A 30 -8.779 5.698 0.480 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.287 7.168 0.326 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.265 7.139 2.647 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.924 7.428 2.160 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.210 4.849 2.565 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.820 4.000 4.406 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.861 4.323 2.941 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.807 5.460 4.309 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.796 5.367 4.935 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.865 6.880 4.822 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.328 6.659 3.833 1.00 1.00 H new ATOM 476 N LEU A 31 -6.260 3.908 0.324 1.00 1.00 N ATOM 477 CA LEU A 31 -5.374 2.742 0.178 1.00 1.00 C ATOM 478 C LEU A 31 -4.434 3.012 -0.985 1.00 1.00 C ATOM 479 O LEU A 31 -3.213 2.896 -0.889 1.00 1.00 O ATOM 480 CB LEU A 31 -6.180 1.417 -0.065 1.00 1.00 C ATOM 481 CG LEU A 31 -6.352 0.896 -1.549 1.00 1.00 C ATOM 482 CD1 LEU A 31 -5.076 0.303 -2.135 1.00 1.00 C ATOM 483 CD2 LEU A 31 -7.448 -0.158 -1.665 1.00 1.00 C ATOM 0 H LEU A 31 -7.247 3.714 0.156 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.814 2.600 1.103 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -5.698 0.626 0.510 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -7.176 1.554 0.355 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.622 1.787 -2.116 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.266 -0.034 -3.154 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.293 1.061 -2.144 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.755 -0.543 -1.527 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.529 -0.486 -2.701 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -7.201 -1.011 -1.033 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -8.398 0.268 -1.344 1.00 1.00 H new ATOM 495 N THR A 32 -5.040 3.455 -2.057 1.00 1.00 N ATOM 496 CA THR A 32 -4.338 3.729 -3.282 1.00 1.00 C ATOM 497 C THR A 32 -3.450 4.960 -3.154 1.00 1.00 C ATOM 498 O THR A 32 -2.337 4.982 -3.668 1.00 1.00 O ATOM 499 CB THR A 32 -5.339 3.894 -4.428 1.00 1.00 C ATOM 500 OG1 THR A 32 -6.355 2.883 -4.330 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.640 3.768 -5.760 1.00 1.00 C ATOM 0 H THR A 32 -6.043 3.637 -2.103 1.00 1.00 H new ATOM 0 HA THR A 32 -3.686 2.883 -3.500 1.00 1.00 H new ATOM 0 HB THR A 32 -5.792 4.883 -4.356 1.00 1.00 H new ATOM 0 HG1 THR A 32 -7.015 3.147 -3.655 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.366 3.888 -6.564 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.875 4.540 -5.844 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.174 2.785 -5.835 1.00 1.00 H new ATOM 509 N LEU A 33 -3.921 5.973 -2.446 1.00 1.00 N ATOM 510 CA LEU A 33 -3.121 7.171 -2.253 1.00 1.00 C ATOM 511 C LEU A 33 -1.869 6.831 -1.434 1.00 1.00 C ATOM 512 O LEU A 33 -0.759 7.212 -1.800 1.00 1.00 O ATOM 513 CB LEU A 33 -3.945 8.270 -1.583 1.00 1.00 C ATOM 514 CG LEU A 33 -3.226 9.611 -1.384 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.824 10.223 -2.721 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.118 10.571 -0.612 1.00 1.00 C ATOM 0 H LEU A 33 -4.839 5.991 -2.001 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.804 7.549 -3.225 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.840 8.443 -2.181 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.277 7.908 -0.610 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.317 9.429 -0.811 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.317 11.172 -2.549 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.153 9.543 -3.245 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.715 10.392 -3.326 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.599 11.520 -0.476 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.040 10.738 -1.169 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.355 10.144 0.362 1.00 1.00 H new ATOM 528 N ARG A 34 -2.034 6.079 -0.346 1.00 1.00 N ATOM 529 CA ARG A 34 -0.884 5.690 0.466 1.00 1.00 C ATOM 530 C ARG A 34 0.056 4.764 -0.321 1.00 1.00 C ATOM 531 O ARG A 34 1.251 5.029 -0.413 1.00 1.00 O ATOM 532 CB ARG A 34 -1.312 5.013 1.770 1.00 1.00 C ATOM 533 CG ARG A 34 -1.751 5.991 2.857 1.00 1.00 C ATOM 534 CD ARG A 34 -0.624 6.954 3.252 1.00 1.00 C ATOM 535 NE ARG A 34 -0.913 7.683 4.499 1.00 1.00 N ATOM 536 CZ ARG A 34 -0.222 8.700 4.956 1.00 1.00 C ATOM 537 NH1 ARG A 34 0.736 9.227 4.262 1.00 1.00 N ATOM 538 NH2 ARG A 34 -0.514 9.200 6.114 1.00 1.00 N ATOM 0 H ARG A 34 -2.934 5.733 -0.012 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.349 6.605 0.720 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -2.132 4.326 1.560 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -0.483 4.414 2.147 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -2.610 6.563 2.505 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -2.077 5.434 3.736 1.00 1.00 H new ATOM 0 HD2 ARG A 34 0.303 6.393 3.370 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.464 7.670 2.446 1.00 1.00 H new ATOM 0 HE ARG A 34 -1.713 7.373 5.050 1.00 1.00 H new ATOM 0 HH11 ARG A 34 0.965 8.852 3.342 1.00 1.00 H new ATOM 0 HH12 ARG A 34 1.261 10.018 4.636 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -1.276 8.803 6.663 1.00 1.00 H new ATOM 0 HH22 ARG A 34 0.018 9.991 6.477 1.00 1.00 H new ATOM 552 N ILE A 35 -0.484 3.705 -0.928 1.00 1.00 N ATOM 553 CA ILE A 35 0.355 2.773 -1.689 1.00 1.00 C ATOM 554 C ILE A 35 1.031 3.468 -2.879 1.00 1.00 C ATOM 555 O ILE A 35 2.218 3.271 -3.123 1.00 1.00 O ATOM 556 CB ILE A 35 -0.429 1.523 -2.170 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.884 0.704 -0.953 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.427 0.667 -3.104 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.632 -0.571 -1.295 1.00 1.00 C ATOM 0 H ILE A 35 -1.477 3.473 -0.910 1.00 1.00 H new ATOM 0 HA ILE A 35 1.128 2.430 -1.001 1.00 1.00 H new ATOM 0 HB ILE A 35 -1.305 1.851 -2.730 1.00 1.00 H new ATOM 0 HG12 ILE A 35 -0.009 0.447 -0.356 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.523 1.329 -0.329 1.00 1.00 H new ATOM 0 HG21 ILE A 35 -0.145 -0.203 -3.427 1.00 1.00 H new ATOM 0 HG22 ILE A 35 0.715 1.256 -3.975 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.322 0.337 -2.577 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.915 -1.085 -0.376 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.529 -0.325 -1.864 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.991 -1.220 -1.891 1.00 1.00 H new ATOM 571 N ASN A 36 0.305 4.324 -3.589 1.00 1.00 N ATOM 572 CA ASN A 36 0.898 5.012 -4.735 1.00 1.00 C ATOM 573 C ASN A 36 1.928 6.062 -4.301 1.00 1.00 C ATOM 574 O ASN A 36 2.988 6.175 -4.907 1.00 1.00 O ATOM 575 CB ASN A 36 -0.164 5.667 -5.627 1.00 1.00 C ATOM 576 CG ASN A 36 0.464 6.494 -6.733 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.837 5.975 -7.774 1.00 1.00 O ATOM 578 ND2 ASN A 36 0.578 7.789 -6.515 1.00 1.00 N ATOM 0 H ASN A 36 -0.670 4.556 -3.401 1.00 1.00 H new ATOM 0 HA ASN A 36 1.409 4.244 -5.316 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -0.798 4.896 -6.065 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.808 6.302 -5.019 1.00 1.00 H new ATOM 0 HD21 ASN A 36 0.989 8.392 -7.228 1.00 1.00 H new ATOM 0 HD22 ASN A 36 0.256 8.188 -5.633 1.00 1.00 H new ATOM 585 N ARG A 37 1.670 6.801 -3.226 1.00 1.00 N ATOM 586 CA ARG A 37 2.630 7.827 -2.825 1.00 1.00 C ATOM 587 C ARG A 37 3.859 7.194 -2.185 1.00 1.00 C ATOM 588 O ARG A 37 4.941 7.780 -2.188 1.00 1.00 O ATOM 589 CB ARG A 37 1.990 8.896 -1.948 1.00 1.00 C ATOM 590 CG ARG A 37 0.961 9.699 -2.734 1.00 1.00 C ATOM 591 CD ARG A 37 1.613 10.433 -3.914 1.00 1.00 C ATOM 592 NE ARG A 37 0.647 10.906 -4.915 1.00 1.00 N ATOM 593 CZ ARG A 37 0.957 11.714 -5.899 1.00 1.00 C ATOM 594 NH1 ARG A 37 2.124 12.259 -5.950 1.00 1.00 N ATOM 595 NH2 ARG A 37 0.088 11.984 -6.819 1.00 1.00 N ATOM 0 H ARG A 37 0.841 6.717 -2.638 1.00 1.00 H new ATOM 0 HA ARG A 37 2.967 8.345 -3.723 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.512 8.428 -1.087 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.760 9.564 -1.561 1.00 1.00 H new ATOM 0 HG2 ARG A 37 0.181 9.033 -3.103 1.00 1.00 H new ATOM 0 HG3 ARG A 37 0.479 10.421 -2.075 1.00 1.00 H new ATOM 0 HD2 ARG A 37 2.178 11.285 -3.535 1.00 1.00 H new ATOM 0 HD3 ARG A 37 2.327 9.766 -4.397 1.00 1.00 H new ATOM 0 HE ARG A 37 -0.319 10.588 -4.840 1.00 1.00 H new ATOM 0 HH11 ARG A 37 2.811 12.062 -5.222 1.00 1.00 H new ATOM 0 HH12 ARG A 37 2.360 12.887 -6.718 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -0.842 11.567 -6.780 1.00 1.00 H new ATOM 0 HH22 ARG A 37 0.333 12.613 -7.583 1.00 1.00 H new ATOM 609 N LEU A 38 3.710 5.981 -1.651 1.00 1.00 N ATOM 610 CA LEU A 38 4.849 5.277 -1.110 1.00 1.00 C ATOM 611 C LEU A 38 5.623 4.679 -2.286 1.00 1.00 C ATOM 612 O LEU A 38 6.840 4.552 -2.249 1.00 1.00 O ATOM 613 CB LEU A 38 4.416 4.206 -0.112 1.00 1.00 C ATOM 614 CG LEU A 38 4.423 4.641 1.365 1.00 1.00 C ATOM 615 CD1 LEU A 38 5.827 5.019 1.816 1.00 1.00 C ATOM 616 CD2 LEU A 38 3.466 5.802 1.614 1.00 1.00 C ATOM 0 H LEU A 38 2.823 5.481 -1.587 1.00 1.00 H new ATOM 0 HA LEU A 38 5.490 5.962 -0.555 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.410 3.876 -0.372 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.073 3.343 -0.223 1.00 1.00 H new ATOM 0 HG LEU A 38 4.082 3.788 1.951 1.00 1.00 H new ATOM 0 HD11 LEU A 38 5.804 5.322 2.863 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.489 4.161 1.702 1.00 1.00 H new ATOM 0 HD13 LEU A 38 6.195 5.845 1.207 1.00 1.00 H new ATOM 0 HD21 LEU A 38 3.499 6.081 2.667 1.00 1.00 H new ATOM 0 HD22 LEU A 38 3.762 6.655 1.003 1.00 1.00 H new ATOM 0 HD23 LEU A 38 2.452 5.501 1.350 1.00 1.00 H new ATOM 628 N SER A 39 4.901 4.332 -3.355 1.00 1.00 N ATOM 629 CA SER A 39 5.542 3.837 -4.567 1.00 1.00 C ATOM 630 C SER A 39 6.322 4.983 -5.226 1.00 1.00 C ATOM 631 O SER A 39 7.447 4.798 -5.674 1.00 1.00 O ATOM 632 CB SER A 39 4.512 3.268 -5.549 1.00 1.00 C ATOM 633 OG SER A 39 3.817 2.169 -4.983 1.00 1.00 O ATOM 0 H SER A 39 3.883 4.385 -3.402 1.00 1.00 H new ATOM 0 HA SER A 39 6.223 3.030 -4.298 1.00 1.00 H new ATOM 0 HB2 SER A 39 3.802 4.047 -5.827 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.013 2.952 -6.464 1.00 1.00 H new ATOM 0 HG SER A 39 3.119 2.499 -4.380 1.00 1.00 H new ATOM 639 N GLU A 40 5.736 6.192 -5.258 1.00 1.00 N ATOM 640 CA GLU A 40 6.432 7.354 -5.839 1.00 1.00 C ATOM 641 C GLU A 40 7.557 7.802 -4.896 1.00 1.00 C ATOM 642 O GLU A 40 8.493 8.495 -5.297 1.00 1.00 O ATOM 643 CB GLU A 40 5.467 8.496 -6.173 1.00 1.00 C ATOM 644 CG GLU A 40 4.534 8.123 -7.317 1.00 1.00 C ATOM 645 CD GLU A 40 3.702 9.288 -7.828 1.00 1.00 C ATOM 646 OE1 GLU A 40 4.289 10.257 -8.351 1.00 1.00 O ATOM 647 OE2 GLU A 40 2.457 9.232 -7.707 1.00 1.00 O ATOM 0 H GLU A 40 4.803 6.389 -4.897 1.00 1.00 H new ATOM 0 HA GLU A 40 6.875 7.055 -6.789 1.00 1.00 H new ATOM 0 HB2 GLU A 40 4.879 8.747 -5.290 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.035 9.387 -6.441 1.00 1.00 H new ATOM 0 HG2 GLU A 40 5.125 7.721 -8.140 1.00 1.00 H new ATOM 0 HG3 GLU A 40 3.866 7.328 -6.986 1.00 1.00 H new ATOM 654 N HIS A 41 7.456 7.387 -3.625 1.00 1.00 N ATOM 655 CA HIS A 41 8.497 7.638 -2.649 1.00 1.00 C ATOM 656 C HIS A 41 9.675 6.743 -3.027 1.00 1.00 C ATOM 657 O HIS A 41 10.820 7.179 -3.087 1.00 1.00 O ATOM 658 CB HIS A 41 7.968 7.291 -1.249 1.00 1.00 C ATOM 659 CG HIS A 41 8.956 7.437 -0.124 1.00 1.00 C ATOM 660 ND1 HIS A 41 9.106 8.585 0.620 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.817 6.531 0.414 1.00 1.00 C ATOM 662 CE1 HIS A 41 10.026 8.350 1.565 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.485 7.120 1.482 1.00 1.00 N ATOM 0 H HIS A 41 6.654 6.874 -3.259 1.00 1.00 H new ATOM 0 HA HIS A 41 8.806 8.683 -2.638 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.108 7.927 -1.038 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.608 6.262 -1.261 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.959 5.518 0.067 1.00 1.00 H new ATOM 0 HE1 HIS A 41 10.348 9.075 2.298 1.00 1.00 H new ATOM 0 HE2 HIS A 41 11.188 6.686 2.080 1.00 1.00 H new ATOM 671 N LEU A 42 9.346 5.493 -3.358 1.00 1.00 N ATOM 672 CA LEU A 42 10.341 4.506 -3.770 1.00 1.00 C ATOM 673 C LEU A 42 10.837 4.766 -5.204 1.00 1.00 C ATOM 674 O LEU A 42 11.757 4.108 -5.671 1.00 1.00 O ATOM 675 CB LEU A 42 9.763 3.094 -3.663 1.00 1.00 C ATOM 676 CG LEU A 42 9.317 2.675 -2.256 1.00 1.00 C ATOM 677 CD1 LEU A 42 8.752 1.264 -2.280 1.00 1.00 C ATOM 678 CD2 LEU A 42 10.469 2.767 -1.262 1.00 1.00 C ATOM 0 H LEU A 42 8.389 5.140 -3.348 1.00 1.00 H new ATOM 0 HA LEU A 42 11.195 4.597 -3.099 1.00 1.00 H new ATOM 0 HB2 LEU A 42 8.909 3.017 -4.336 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.512 2.385 -4.016 1.00 1.00 H new ATOM 0 HG LEU A 42 8.536 3.363 -1.931 1.00 1.00 H new ATOM 0 HD11 LEU A 42 8.440 0.980 -1.275 1.00 1.00 H new ATOM 0 HD12 LEU A 42 7.894 1.227 -2.951 1.00 1.00 H new ATOM 0 HD13 LEU A 42 9.517 0.572 -2.631 1.00 1.00 H new ATOM 0 HD21 LEU A 42 10.122 2.464 -0.274 1.00 1.00 H new ATOM 0 HD22 LEU A 42 11.278 2.109 -1.580 1.00 1.00 H new ATOM 0 HD23 LEU A 42 10.832 3.794 -1.220 1.00 1.00 H new ATOM 690 N LYS A 43 10.194 5.687 -5.928 1.00 1.00 N ATOM 691 CA LYS A 43 10.670 6.042 -7.272 1.00 1.00 C ATOM 692 C LYS A 43 11.859 6.974 -7.114 1.00 1.00 C ATOM 693 O LYS A 43 12.777 7.005 -7.934 1.00 1.00 O ATOM 694 CB LYS A 43 9.601 6.755 -8.096 1.00 1.00 C ATOM 695 CG LYS A 43 8.475 5.848 -8.531 1.00 1.00 C ATOM 696 CD LYS A 43 7.501 6.577 -9.437 1.00 1.00 C ATOM 697 CE LYS A 43 6.384 5.662 -9.910 1.00 1.00 C ATOM 698 NZ LYS A 43 6.906 4.507 -10.695 1.00 1.00 N ATOM 0 H LYS A 43 9.363 6.190 -5.618 1.00 1.00 H new ATOM 0 HA LYS A 43 10.934 5.124 -7.796 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.190 7.577 -7.510 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.066 7.194 -8.979 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.883 4.982 -9.053 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.948 5.472 -7.654 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.075 7.427 -8.904 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.035 6.976 -10.299 1.00 1.00 H new ATOM 0 HE2 LYS A 43 5.827 5.293 -9.048 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.684 6.230 -10.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 6.123 4.054 -11.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 7.618 4.843 -11.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 7.342 3.817 -10.050 1.00 1.00 H new ATOM 712 N VAL A 44 11.815 7.748 -6.031 1.00 1.00 N ATOM 713 CA VAL A 44 12.863 8.679 -5.707 1.00 1.00 C ATOM 714 C VAL A 44 13.938 7.953 -4.918 1.00 1.00 C ATOM 715 O VAL A 44 15.133 8.066 -5.193 1.00 1.00 O ATOM 716 CB VAL A 44 12.300 9.833 -4.853 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.396 10.809 -4.474 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.174 10.546 -5.586 1.00 1.00 C ATOM 0 H VAL A 44 11.046 7.738 -5.361 1.00 1.00 H new ATOM 0 HA VAL A 44 13.281 9.088 -6.627 1.00 1.00 H new ATOM 0 HB VAL A 44 11.894 9.407 -3.935 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.974 11.614 -3.872 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.163 10.290 -3.899 1.00 1.00 H new ATOM 0 HG13 VAL A 44 13.840 11.226 -5.378 1.00 1.00 H new ATOM 0 HG21 VAL A 44 10.792 11.356 -4.965 1.00 1.00 H new ATOM 0 HG22 VAL A 44 11.551 10.954 -6.524 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.371 9.839 -5.795 1.00 1.00 H new ATOM 728 N HIS A 45 13.477 7.182 -3.951 1.00 1.00 N ATOM 729 CA HIS A 45 14.348 6.413 -3.090 1.00 1.00 C ATOM 730 C HIS A 45 14.881 5.146 -3.781 1.00 1.00 C ATOM 731 O HIS A 45 14.453 4.779 -4.874 1.00 1.00 O ATOM 732 CB HIS A 45 13.594 6.097 -1.798 1.00 1.00 C ATOM 733 CG HIS A 45 13.556 7.269 -0.859 1.00 1.00 C ATOM 734 ND1 HIS A 45 14.316 7.363 0.285 1.00 1.00 N ATOM 735 CD2 HIS A 45 12.847 8.426 -0.929 1.00 1.00 C ATOM 736 CE1 HIS A 45 14.058 8.544 0.858 1.00 1.00 C ATOM 737 NE2 HIS A 45 13.172 9.229 0.161 1.00 1.00 N ATOM 0 H HIS A 45 12.485 7.073 -3.742 1.00 1.00 H new ATOM 0 HA HIS A 45 15.234 7.003 -2.854 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.575 5.794 -2.039 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.068 5.251 -1.301 1.00 1.00 H new ATOM 0 HD1 HIS A 45 14.963 6.656 0.635 1.00 1.00 H new ATOM 0 HD2 HIS A 45 12.143 8.682 -1.707 1.00 1.00 H new ATOM 0 HE1 HIS A 45 14.516 8.891 1.772 1.00 1.00 H new ATOM 745 N LYS A 46 15.792 4.473 -3.110 1.00 1.00 N ATOM 746 CA LYS A 46 16.450 3.282 -3.654 1.00 1.00 C ATOM 747 C LYS A 46 17.355 2.630 -2.611 1.00 1.00 C ATOM 748 O LYS A 46 18.243 3.274 -2.045 1.00 1.00 O ATOM 749 CB LYS A 46 17.279 3.613 -4.921 1.00 1.00 C ATOM 750 CG LYS A 46 18.327 4.707 -4.737 1.00 1.00 C ATOM 751 CD LYS A 46 19.189 4.865 -5.985 1.00 1.00 C ATOM 752 CE LYS A 46 20.203 5.993 -5.835 1.00 1.00 C ATOM 753 NZ LYS A 46 21.138 5.760 -4.701 1.00 1.00 N ATOM 0 H LYS A 46 16.104 4.728 -2.173 1.00 1.00 H new ATOM 0 HA LYS A 46 15.660 2.584 -3.930 1.00 1.00 H new ATOM 0 HB2 LYS A 46 17.779 2.705 -5.258 1.00 1.00 H new ATOM 0 HB3 LYS A 46 16.596 3.914 -5.715 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.833 5.652 -4.512 1.00 1.00 H new ATOM 0 HG3 LYS A 46 18.960 4.467 -3.883 1.00 1.00 H new ATOM 0 HD2 LYS A 46 19.713 3.930 -6.186 1.00 1.00 H new ATOM 0 HD3 LYS A 46 18.550 5.063 -6.845 1.00 1.00 H new ATOM 0 HE2 LYS A 46 20.773 6.093 -6.759 1.00 1.00 H new ATOM 0 HE3 LYS A 46 19.676 6.935 -5.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 21.909 6.457 -4.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 20.625 5.859 -3.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 21.535 4.801 -4.769 1.00 1.00 H new ATOM 767 N LYS A 47 17.092 1.351 -2.345 1.00 1.00 N ATOM 768 CA LYS A 47 17.879 0.551 -1.405 1.00 1.00 C ATOM 769 C LYS A 47 17.822 1.108 0.024 1.00 1.00 C ATOM 770 O LYS A 47 18.777 0.987 0.785 1.00 1.00 O ATOM 771 CB LYS A 47 19.339 0.431 -1.873 1.00 1.00 C ATOM 772 CG LYS A 47 19.498 -0.047 -3.317 1.00 1.00 C ATOM 773 CD LYS A 47 20.967 -0.243 -3.681 1.00 1.00 C ATOM 774 CE LYS A 47 21.171 -0.444 -5.180 1.00 1.00 C ATOM 775 NZ LYS A 47 20.485 -1.666 -5.690 1.00 1.00 N ATOM 0 H LYS A 47 16.324 0.838 -2.777 1.00 1.00 H new ATOM 0 HA LYS A 47 17.431 -0.443 -1.387 1.00 1.00 H new ATOM 0 HB2 LYS A 47 19.823 1.402 -1.768 1.00 1.00 H new ATOM 0 HB3 LYS A 47 19.864 -0.260 -1.214 1.00 1.00 H new ATOM 0 HG2 LYS A 47 18.960 -0.985 -3.452 1.00 1.00 H new ATOM 0 HG3 LYS A 47 19.048 0.679 -3.994 1.00 1.00 H new ATOM 0 HD2 LYS A 47 21.539 0.624 -3.352 1.00 1.00 H new ATOM 0 HD3 LYS A 47 21.360 -1.106 -3.144 1.00 1.00 H new ATOM 0 HE2 LYS A 47 20.797 0.429 -5.715 1.00 1.00 H new ATOM 0 HE3 LYS A 47 22.238 -0.515 -5.392 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 20.668 -1.767 -6.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 20.847 -2.502 -5.189 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 19.461 -1.582 -5.529 1.00 1.00 H new ATOM 789 N ASP A 48 16.680 1.672 0.393 1.00 1.00 N ATOM 790 CA ASP A 48 16.501 2.248 1.728 1.00 1.00 C ATOM 791 C ASP A 48 16.215 1.167 2.787 1.00 1.00 C ATOM 792 O ASP A 48 16.157 1.460 3.984 1.00 1.00 O ATOM 793 CB ASP A 48 15.361 3.261 1.701 1.00 1.00 C ATOM 794 CG ASP A 48 15.626 4.388 0.737 1.00 1.00 C ATOM 795 OD1 ASP A 48 15.435 4.180 -0.475 1.00 1.00 O ATOM 796 OD2 ASP A 48 16.014 5.482 1.190 1.00 1.00 O ATOM 0 H ASP A 48 15.861 1.745 -0.210 1.00 1.00 H new ATOM 0 HA ASP A 48 17.432 2.743 2.005 1.00 1.00 H new ATOM 0 HB2 ASP A 48 14.435 2.757 1.423 1.00 1.00 H new ATOM 0 HB3 ASP A 48 15.214 3.668 2.702 1.00 1.00 H new ATOM 801 N HIS A 49 15.999 -0.072 2.319 1.00 1.00 N ATOM 802 CA HIS A 49 15.712 -1.248 3.178 1.00 1.00 C ATOM 803 C HIS A 49 14.299 -1.180 3.779 1.00 1.00 C ATOM 804 O HIS A 49 13.619 -2.194 3.947 1.00 1.00 O ATOM 805 CB HIS A 49 16.746 -1.409 4.301 1.00 1.00 C ATOM 806 CG HIS A 49 18.153 -1.585 3.817 1.00 1.00 C ATOM 807 ND1 HIS A 49 19.143 -0.646 3.991 1.00 1.00 N ATOM 808 CD2 HIS A 49 18.732 -2.621 3.157 1.00 1.00 C ATOM 809 CE1 HIS A 49 20.269 -1.127 3.445 1.00 1.00 C ATOM 810 NE2 HIS A 49 20.071 -2.323 2.926 1.00 1.00 N ATOM 0 H HIS A 49 16.017 -0.296 1.324 1.00 1.00 H new ATOM 0 HA HIS A 49 15.774 -2.121 2.529 1.00 1.00 H new ATOM 0 HB2 HIS A 49 16.703 -0.533 4.948 1.00 1.00 H new ATOM 0 HB3 HIS A 49 16.473 -2.270 4.911 1.00 1.00 H new ATOM 0 HD2 HIS A 49 18.233 -3.531 2.859 1.00 1.00 H new ATOM 0 HE1 HIS A 49 21.214 -0.604 3.432 1.00 1.00 H new ATOM 0 HE2 HIS A 49 20.758 -2.909 2.452 1.00 1.00 H new ATOM 818 N HIS A 50 13.862 0.034 4.072 1.00 1.00 N ATOM 819 CA HIS A 50 12.543 0.303 4.633 1.00 1.00 C ATOM 820 C HIS A 50 11.548 0.491 3.497 1.00 1.00 C ATOM 821 O HIS A 50 10.530 1.163 3.629 1.00 1.00 O ATOM 822 CB HIS A 50 12.603 1.583 5.455 1.00 1.00 C ATOM 823 CG HIS A 50 13.571 1.543 6.597 1.00 1.00 C ATOM 824 ND1 HIS A 50 14.926 1.761 6.475 1.00 1.00 N ATOM 825 CD2 HIS A 50 13.344 1.331 7.913 1.00 1.00 C ATOM 826 CE1 HIS A 50 15.467 1.683 7.700 1.00 1.00 C ATOM 827 NE2 HIS A 50 14.546 1.423 8.607 1.00 1.00 N ATOM 0 H HIS A 50 14.420 0.875 3.925 1.00 1.00 H new ATOM 0 HA HIS A 50 12.233 -0.530 5.264 1.00 1.00 H new ATOM 0 HB2 HIS A 50 12.871 2.410 4.797 1.00 1.00 H new ATOM 0 HB3 HIS A 50 11.608 1.796 5.846 1.00 1.00 H new ATOM 0 HD1 HIS A 50 15.428 1.948 5.607 1.00 1.00 H new ATOM 0 HD2 HIS A 50 12.381 1.123 8.356 1.00 1.00 H new ATOM 0 HE1 HIS A 50 16.517 1.816 7.915 1.00 1.00 H new ATOM 835 N SER A 51 11.859 -0.149 2.394 1.00 1.00 N ATOM 836 CA SER A 51 11.087 -0.037 1.171 1.00 1.00 C ATOM 837 C SER A 51 9.699 -0.679 1.271 1.00 1.00 C ATOM 838 O SER A 51 8.686 0.007 1.224 1.00 1.00 O ATOM 839 CB SER A 51 11.899 -0.668 0.038 1.00 1.00 C ATOM 840 OG SER A 51 13.269 -0.280 0.115 1.00 1.00 O ATOM 0 H SER A 51 12.664 -0.770 2.316 1.00 1.00 H new ATOM 0 HA SER A 51 10.904 1.020 0.976 1.00 1.00 H new ATOM 0 HB2 SER A 51 11.821 -1.754 0.091 1.00 1.00 H new ATOM 0 HB3 SER A 51 11.485 -0.365 -0.924 1.00 1.00 H new ATOM 0 HG SER A 51 13.769 -0.697 -0.618 1.00 1.00 H new ATOM 846 N HIS A 52 9.652 -1.986 1.441 1.00 1.00 N ATOM 847 CA HIS A 52 8.365 -2.692 1.516 1.00 1.00 C ATOM 848 C HIS A 52 7.950 -2.966 2.967 1.00 1.00 C ATOM 849 O HIS A 52 6.934 -3.614 3.211 1.00 1.00 O ATOM 850 CB HIS A 52 8.453 -4.021 0.764 1.00 1.00 C ATOM 851 CG HIS A 52 8.848 -3.896 -0.674 1.00 1.00 C ATOM 852 ND1 HIS A 52 10.039 -4.362 -1.182 1.00 1.00 N ATOM 853 CD2 HIS A 52 8.177 -3.360 -1.724 1.00 1.00 C ATOM 854 CE1 HIS A 52 10.057 -4.102 -2.495 1.00 1.00 C ATOM 855 NE2 HIS A 52 8.951 -3.496 -2.873 1.00 1.00 N ATOM 0 H HIS A 52 10.473 -2.584 1.530 1.00 1.00 H new ATOM 0 HA HIS A 52 7.613 -2.049 1.059 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.173 -4.664 1.271 1.00 1.00 H new ATOM 0 HB3 HIS A 52 7.486 -4.520 0.820 1.00 1.00 H new ATOM 0 HD2 HIS A 52 7.200 -2.902 -1.676 1.00 1.00 H new ATOM 0 HE1 HIS A 52 10.872 -4.356 -3.157 1.00 1.00 H new ATOM 0 HE2 HIS A 52 8.710 -3.189 -3.815 1.00 1.00 H new ATOM 863 N ARG A 53 8.722 -2.428 3.913 1.00 1.00 N ATOM 864 CA ARG A 53 8.502 -2.631 5.357 1.00 1.00 C ATOM 865 C ARG A 53 7.026 -2.562 5.765 1.00 1.00 C ATOM 866 O ARG A 53 6.475 -3.521 6.296 1.00 1.00 O ATOM 867 CB ARG A 53 9.322 -1.598 6.145 1.00 1.00 C ATOM 868 CG ARG A 53 9.070 -1.593 7.650 1.00 1.00 C ATOM 869 CD ARG A 53 9.973 -0.581 8.362 1.00 1.00 C ATOM 870 NE ARG A 53 9.595 -0.361 9.770 1.00 1.00 N ATOM 871 CZ ARG A 53 10.435 -0.061 10.731 1.00 1.00 C ATOM 872 NH1 ARG A 53 11.709 -0.165 10.561 1.00 1.00 N ATOM 873 NH2 ARG A 53 9.979 0.289 11.890 1.00 1.00 N ATOM 0 H ARG A 53 9.524 -1.834 3.703 1.00 1.00 H new ATOM 0 HA ARG A 53 8.833 -3.642 5.594 1.00 1.00 H new ATOM 0 HB2 ARG A 53 10.381 -1.785 5.969 1.00 1.00 H new ATOM 0 HB3 ARG A 53 9.104 -0.605 5.751 1.00 1.00 H new ATOM 0 HG2 ARG A 53 8.025 -1.352 7.845 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.248 -2.590 8.054 1.00 1.00 H new ATOM 0 HD2 ARG A 53 11.005 -0.930 8.319 1.00 1.00 H new ATOM 0 HD3 ARG A 53 9.935 0.369 7.829 1.00 1.00 H new ATOM 0 HE ARG A 53 8.609 -0.449 10.014 1.00 1.00 H new ATOM 0 HH11 ARG A 53 12.080 -0.486 9.666 1.00 1.00 H new ATOM 0 HH12 ARG A 53 12.346 0.073 11.321 1.00 1.00 H new ATOM 0 HH21 ARG A 53 8.973 0.330 12.051 1.00 1.00 H new ATOM 0 HH22 ARG A 53 10.626 0.524 12.643 1.00 1.00 H new ATOM 887 N GLY A 54 6.393 -1.435 5.518 1.00 1.00 N ATOM 888 CA GLY A 54 4.998 -1.296 5.880 1.00 1.00 C ATOM 889 C GLY A 54 4.051 -1.736 4.772 1.00 1.00 C ATOM 890 O GLY A 54 2.953 -2.220 5.044 1.00 1.00 O ATOM 0 H GLY A 54 6.811 -0.616 5.077 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.800 -1.885 6.775 1.00 1.00 H new ATOM 0 HA3 GLY A 54 4.795 -0.255 6.132 1.00 1.00 H new ATOM 894 N LEU A 55 4.513 -1.665 3.519 1.00 1.00 N ATOM 895 CA LEU A 55 3.652 -1.973 2.370 1.00 1.00 C ATOM 896 C LEU A 55 3.253 -3.444 2.316 1.00 1.00 C ATOM 897 O LEU A 55 2.257 -3.798 1.689 1.00 1.00 O ATOM 898 CB LEU A 55 4.287 -1.553 1.038 1.00 1.00 C ATOM 899 CG LEU A 55 4.213 -0.049 0.738 1.00 1.00 C ATOM 900 CD1 LEU A 55 5.113 0.750 1.671 1.00 1.00 C ATOM 901 CD2 LEU A 55 4.577 0.230 -0.713 1.00 1.00 C ATOM 0 H LEU A 55 5.467 -1.400 3.275 1.00 1.00 H new ATOM 0 HA LEU A 55 2.747 -1.384 2.518 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.333 -1.859 1.038 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.796 -2.095 0.230 1.00 1.00 H new ATOM 0 HG LEU A 55 3.184 0.269 0.908 1.00 1.00 H new ATOM 0 HD11 LEU A 55 5.036 1.810 1.431 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.802 0.588 2.703 1.00 1.00 H new ATOM 0 HD13 LEU A 55 6.146 0.424 1.548 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.518 1.302 -0.903 1.00 1.00 H new ATOM 0 HD22 LEU A 55 5.592 -0.118 -0.907 1.00 1.00 H new ATOM 0 HD23 LEU A 55 3.882 -0.294 -1.370 1.00 1.00 H new ATOM 913 N LEU A 56 4.007 -4.308 2.982 1.00 1.00 N ATOM 914 CA LEU A 56 3.677 -5.717 2.998 1.00 1.00 C ATOM 915 C LEU A 56 2.442 -5.939 3.870 1.00 1.00 C ATOM 916 O LEU A 56 1.550 -6.715 3.535 1.00 1.00 O ATOM 917 CB LEU A 56 4.856 -6.507 3.535 1.00 1.00 C ATOM 918 CG LEU A 56 6.076 -6.554 2.614 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.202 -7.323 3.279 1.00 1.00 C ATOM 920 CD2 LEU A 56 5.723 -7.181 1.272 1.00 1.00 C ATOM 0 H LEU A 56 4.842 -4.057 3.512 1.00 1.00 H new ATOM 0 HA LEU A 56 3.459 -6.058 1.986 1.00 1.00 H new ATOM 0 HB2 LEU A 56 5.157 -6.077 4.490 1.00 1.00 H new ATOM 0 HB3 LEU A 56 4.530 -7.528 3.733 1.00 1.00 H new ATOM 0 HG LEU A 56 6.407 -5.532 2.431 1.00 1.00 H new ATOM 0 HD11 LEU A 56 8.066 -7.350 2.615 1.00 1.00 H new ATOM 0 HD12 LEU A 56 7.477 -6.831 4.212 1.00 1.00 H new ATOM 0 HD13 LEU A 56 6.873 -8.341 3.489 1.00 1.00 H new ATOM 0 HD21 LEU A 56 6.608 -7.202 0.636 1.00 1.00 H new ATOM 0 HD22 LEU A 56 5.364 -8.198 1.429 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.943 -6.592 0.789 1.00 1.00 H new ATOM 932 N MET A 57 2.385 -5.215 4.984 1.00 1.00 N ATOM 933 CA MET A 57 1.248 -5.300 5.887 1.00 1.00 C ATOM 934 C MET A 57 0.073 -4.570 5.261 1.00 1.00 C ATOM 935 O MET A 57 -1.085 -4.962 5.416 1.00 1.00 O ATOM 936 CB MET A 57 1.593 -4.681 7.236 1.00 1.00 C ATOM 937 CG MET A 57 2.706 -5.412 7.961 1.00 1.00 C ATOM 938 SD MET A 57 3.121 -4.654 9.540 1.00 1.00 S ATOM 939 CE MET A 57 4.400 -5.769 10.106 1.00 1.00 C ATOM 0 H MET A 57 3.113 -4.565 5.280 1.00 1.00 H new ATOM 0 HA MET A 57 0.989 -6.346 6.051 1.00 1.00 H new ATOM 0 HB2 MET A 57 1.886 -3.642 7.087 1.00 1.00 H new ATOM 0 HB3 MET A 57 0.702 -4.674 7.864 1.00 1.00 H new ATOM 0 HG2 MET A 57 2.408 -6.447 8.127 1.00 1.00 H new ATOM 0 HG3 MET A 57 3.593 -5.433 7.328 1.00 1.00 H new ATOM 0 HE1 MET A 57 4.767 -5.439 11.078 1.00 1.00 H new ATOM 0 HE2 MET A 57 3.992 -6.776 10.195 1.00 1.00 H new ATOM 0 HE3 MET A 57 5.222 -5.773 9.390 1.00 1.00 H new ATOM 949 N MET A 58 0.394 -3.500 4.540 1.00 1.00 N ATOM 950 CA MET A 58 -0.613 -2.719 3.844 1.00 1.00 C ATOM 951 C MET A 58 -1.287 -3.574 2.768 1.00 1.00 C ATOM 952 O MET A 58 -2.504 -3.708 2.760 1.00 1.00 O ATOM 953 CB MET A 58 0.001 -1.466 3.215 1.00 1.00 C ATOM 954 CG MET A 58 0.533 -0.472 4.236 1.00 1.00 C ATOM 955 SD MET A 58 1.383 0.930 3.479 1.00 1.00 S ATOM 956 CE MET A 58 0.054 1.681 2.542 1.00 1.00 C ATOM 0 H MET A 58 1.347 -3.156 4.425 1.00 1.00 H new ATOM 0 HA MET A 58 -1.361 -2.401 4.570 1.00 1.00 H new ATOM 0 HB2 MET A 58 0.813 -1.763 2.552 1.00 1.00 H new ATOM 0 HB3 MET A 58 -0.751 -0.974 2.598 1.00 1.00 H new ATOM 0 HG2 MET A 58 -0.295 -0.104 4.842 1.00 1.00 H new ATOM 0 HG3 MET A 58 1.219 -0.984 4.911 1.00 1.00 H new ATOM 0 HE1 MET A 58 0.444 2.518 1.964 1.00 1.00 H new ATOM 0 HE2 MET A 58 -0.377 0.943 1.866 1.00 1.00 H new ATOM 0 HE3 MET A 58 -0.716 2.040 3.226 1.00 1.00 H new ATOM 966 N VAL A 59 -0.488 -4.184 1.887 1.00 1.00 N ATOM 967 CA VAL A 59 -1.037 -5.035 0.824 1.00 1.00 C ATOM 968 C VAL A 59 -1.696 -6.282 1.429 1.00 1.00 C ATOM 969 O VAL A 59 -2.750 -6.725 0.974 1.00 1.00 O ATOM 970 CB VAL A 59 0.040 -5.446 -0.215 1.00 1.00 C ATOM 971 CG1 VAL A 59 -0.522 -6.415 -1.249 1.00 1.00 C ATOM 972 CG2 VAL A 59 0.596 -4.213 -0.911 1.00 1.00 C ATOM 0 H VAL A 59 0.529 -4.107 1.887 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.789 -4.449 0.296 1.00 1.00 H new ATOM 0 HB VAL A 59 0.842 -5.952 0.322 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.260 -6.681 -1.961 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.879 -7.315 -0.748 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -1.349 -5.942 -1.779 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.351 -4.514 -1.637 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.211 -3.689 -1.423 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.048 -3.551 -0.172 1.00 1.00 H new ATOM 982 N GLY A 60 -1.083 -6.819 2.480 1.00 1.00 N ATOM 983 CA GLY A 60 -1.632 -7.985 3.154 1.00 1.00 C ATOM 984 C GLY A 60 -3.050 -7.759 3.670 1.00 1.00 C ATOM 985 O GLY A 60 -3.968 -8.500 3.323 1.00 1.00 O ATOM 0 H GLY A 60 -0.213 -6.467 2.879 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.632 -8.830 2.466 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -0.985 -8.254 3.989 1.00 1.00 H new ATOM 989 N GLN A 61 -3.240 -6.711 4.470 1.00 1.00 N ATOM 990 CA GLN A 61 -4.564 -6.407 5.032 1.00 1.00 C ATOM 991 C GLN A 61 -5.494 -5.869 3.949 1.00 1.00 C ATOM 992 O GLN A 61 -6.711 -6.034 4.014 1.00 1.00 O ATOM 993 CB GLN A 61 -4.447 -5.379 6.170 1.00 1.00 C ATOM 994 CG GLN A 61 -5.785 -4.871 6.720 1.00 1.00 C ATOM 995 CD GLN A 61 -6.643 -5.960 7.347 1.00 1.00 C ATOM 996 OE1 GLN A 61 -6.583 -7.122 6.966 1.00 1.00 O ATOM 997 NE2 GLN A 61 -7.447 -5.594 8.326 1.00 1.00 N ATOM 0 H GLN A 61 -2.504 -6.061 4.744 1.00 1.00 H new ATOM 0 HA GLN A 61 -4.981 -7.331 5.432 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.881 -5.826 6.987 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.870 -4.526 5.812 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -5.592 -4.099 7.465 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -6.345 -4.400 5.912 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -7.477 -4.619 8.624 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -8.039 -6.286 8.786 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.909 -5.269 2.918 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.680 -4.689 1.856 1.00 1.00 C ATOM 1008 C ARG A 62 -6.296 -5.767 0.984 1.00 1.00 C ATOM 1009 O ARG A 62 -7.458 -5.678 0.599 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.788 -3.785 1.030 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.545 -2.708 0.289 1.00 1.00 C ATOM 1012 CD ARG A 62 -6.414 -1.862 1.233 1.00 1.00 C ATOM 1013 NE ARG A 62 -5.700 -1.408 2.443 1.00 1.00 N ATOM 1014 CZ ARG A 62 -6.124 -0.455 3.252 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -7.142 0.273 2.940 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -5.493 -0.212 4.355 1.00 1.00 N ATOM 0 H ARG A 62 -3.899 -5.178 2.807 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.493 -4.104 2.285 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.052 -3.317 1.684 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.236 -4.390 0.311 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -4.839 -2.061 -0.231 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -6.177 -3.167 -0.472 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -6.784 -0.992 0.691 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -7.285 -2.445 1.532 1.00 1.00 H new ATOM 0 HE ARG A 62 -4.816 -1.863 2.670 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -7.630 0.116 2.058 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -7.459 1.006 3.575 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -4.667 -0.757 4.601 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -5.822 0.525 4.979 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.520 -6.792 0.684 1.00 1.00 N ATOM 1031 CA ARG A 63 -6.017 -7.886 -0.117 1.00 1.00 C ATOM 1032 C ARG A 63 -7.008 -8.718 0.709 1.00 1.00 C ATOM 1033 O ARG A 63 -7.950 -9.291 0.166 1.00 1.00 O ATOM 1034 CB ARG A 63 -4.851 -8.719 -0.639 1.00 1.00 C ATOM 1035 CG ARG A 63 -5.262 -9.847 -1.564 1.00 1.00 C ATOM 1036 CD ARG A 63 -4.043 -10.537 -2.171 1.00 1.00 C ATOM 1037 NE ARG A 63 -3.152 -11.102 -1.148 1.00 1.00 N ATOM 1038 CZ ARG A 63 -2.248 -12.021 -1.374 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -2.139 -12.565 -2.539 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -1.466 -12.402 -0.417 1.00 1.00 N ATOM 0 H ARG A 63 -4.549 -6.886 0.983 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.553 -7.503 -0.986 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.158 -8.064 -1.168 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -4.309 -9.138 0.209 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -5.857 -10.574 -1.012 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -5.895 -9.455 -2.360 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -4.374 -11.332 -2.840 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -3.488 -9.821 -2.777 1.00 1.00 H new ATOM 0 HE ARG A 63 -3.245 -10.753 -0.194 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -2.761 -12.280 -3.295 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -1.431 -13.280 -2.704 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -1.555 -11.987 0.510 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -0.760 -13.118 -0.589 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.796 -8.781 2.031 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.740 -9.483 2.906 1.00 1.00 C ATOM 1056 C ARG A 64 -9.058 -8.705 2.912 1.00 1.00 C ATOM 1057 O ARG A 64 -10.141 -9.282 2.920 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.207 -9.626 4.340 1.00 1.00 C ATOM 1059 CG ARG A 64 -6.005 -10.553 4.450 1.00 1.00 C ATOM 1060 CD ARG A 64 -5.572 -10.787 5.905 1.00 1.00 C ATOM 1061 NE ARG A 64 -5.272 -9.541 6.630 1.00 1.00 N ATOM 1062 CZ ARG A 64 -4.171 -9.306 7.309 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -3.202 -10.160 7.337 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -4.055 -8.198 7.961 1.00 1.00 N ATOM 0 H ARG A 64 -5.997 -8.364 2.508 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.886 -10.492 2.522 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.932 -8.641 4.717 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -8.005 -10.001 4.980 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -6.245 -11.510 3.988 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -5.171 -10.129 3.890 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -6.362 -11.324 6.430 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -4.690 -11.427 5.916 1.00 1.00 H new ATOM 0 HE ARG A 64 -5.974 -8.802 6.603 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -3.282 -11.039 6.825 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -2.357 -9.956 7.871 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -4.813 -7.516 7.946 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -3.205 -8.005 8.491 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.940 -7.378 2.898 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.097 -6.490 2.840 1.00 1.00 C ATOM 1080 C LEU A 65 -10.841 -6.715 1.519 1.00 1.00 C ATOM 1081 O LEU A 65 -12.063 -6.855 1.490 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.627 -5.032 2.936 1.00 1.00 C ATOM 1083 CG LEU A 65 -10.724 -3.963 2.948 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -11.566 -4.069 4.211 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -10.104 -2.577 2.834 1.00 1.00 C ATOM 0 H LEU A 65 -8.044 -6.892 2.926 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.769 -6.703 3.672 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -9.034 -4.923 3.844 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -8.963 -4.831 2.095 1.00 1.00 H new ATOM 0 HG LEU A 65 -11.378 -4.127 2.091 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -12.339 -3.300 4.199 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -12.033 -5.053 4.255 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -10.930 -3.930 5.085 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -10.892 -1.824 2.843 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -9.431 -2.409 3.675 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -9.544 -2.504 1.902 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.078 -6.785 0.425 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.648 -7.005 -0.899 1.00 1.00 C ATOM 1099 C LEU A 66 -11.365 -8.356 -0.984 1.00 1.00 C ATOM 1100 O LEU A 66 -12.479 -8.436 -1.494 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.568 -6.924 -1.983 1.00 1.00 C ATOM 1102 CG LEU A 66 -8.889 -5.558 -2.140 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -7.815 -5.619 -3.216 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.908 -4.476 -2.473 1.00 1.00 C ATOM 0 H LEU A 66 -9.062 -6.692 0.434 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.379 -6.215 -1.068 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -8.802 -7.668 -1.764 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.015 -7.199 -2.938 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.420 -5.303 -1.189 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -7.343 -4.641 -3.315 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -7.064 -6.358 -2.939 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -8.268 -5.901 -4.167 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -9.400 -3.518 -2.579 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -10.411 -4.725 -3.407 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -10.644 -4.410 -1.671 1.00 1.00 H new ATOM 1116 N ARG A 67 -10.753 -9.428 -0.477 1.00 1.00 N ATOM 1117 CA ARG A 67 -11.423 -10.728 -0.538 1.00 1.00 C ATOM 1118 C ARG A 67 -12.503 -10.852 0.543 1.00 1.00 C ATOM 1119 O ARG A 67 -13.287 -11.798 0.546 1.00 1.00 O ATOM 1120 CB ARG A 67 -10.451 -11.907 -0.508 1.00 1.00 C ATOM 1121 CG ARG A 67 -9.683 -12.062 -1.814 1.00 1.00 C ATOM 1122 CD ARG A 67 -9.183 -13.494 -2.020 1.00 1.00 C ATOM 1123 NE ARG A 67 -8.211 -13.920 -0.994 1.00 1.00 N ATOM 1124 CZ ARG A 67 -8.185 -15.109 -0.434 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -9.096 -15.986 -0.691 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -7.244 -15.404 0.405 1.00 1.00 N ATOM 0 H ARG A 67 -9.833 -9.427 -0.037 1.00 1.00 H new ATOM 0 HA ARG A 67 -11.916 -10.773 -1.509 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -9.745 -11.771 0.311 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -11.003 -12.824 -0.304 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -10.325 -11.779 -2.648 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -8.835 -11.378 -1.819 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -10.034 -14.175 -2.011 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -8.722 -13.574 -3.004 1.00 1.00 H new ATOM 0 HE ARG A 67 -7.508 -13.242 -0.698 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -9.852 -15.761 -1.338 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -9.060 -16.904 -0.247 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -6.526 -14.715 0.629 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -7.220 -16.326 0.842 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.529 -9.915 1.479 1.00 1.00 N ATOM 1141 CA TYR A 68 -13.592 -9.887 2.469 1.00 1.00 C ATOM 1142 C TYR A 68 -14.797 -9.214 1.814 1.00 1.00 C ATOM 1143 O TYR A 68 -15.922 -9.714 1.863 1.00 1.00 O ATOM 1144 CB TYR A 68 -13.173 -9.108 3.716 1.00 1.00 C ATOM 1145 CG TYR A 68 -14.227 -9.059 4.797 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -14.296 -10.049 5.767 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -15.201 -8.067 4.801 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -15.256 -10.005 6.762 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -16.158 -8.015 5.792 1.00 1.00 C ATOM 1150 CZ TYR A 68 -16.211 -9.008 6.741 1.00 1.00 C ATOM 1151 OH TYR A 68 -17.181 -8.968 7.709 1.00 1.00 O ATOM 0 H TYR A 68 -11.835 -9.173 1.573 1.00 1.00 H new ATOM 0 HA TYR A 68 -13.828 -10.901 2.790 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.269 -9.558 4.126 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.918 -8.089 3.426 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -13.590 -10.866 5.745 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -15.208 -7.326 4.016 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -15.258 -10.745 7.549 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -16.863 -7.198 5.823 1.00 1.00 H new ATOM 0 HH TYR A 68 -18.036 -9.258 7.328 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.526 -8.092 1.142 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.566 -7.332 0.449 1.00 1.00 C ATOM 1163 C LEU A 69 -16.191 -8.144 -0.694 1.00 1.00 C ATOM 1164 O LEU A 69 -17.383 -8.036 -0.936 1.00 1.00 O ATOM 1165 CB LEU A 69 -15.027 -5.998 -0.093 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.214 -4.778 0.827 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -16.689 -4.512 1.092 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -14.472 -4.963 2.141 1.00 1.00 C ATOM 0 H LEU A 69 -13.592 -7.690 1.064 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.340 -7.118 1.186 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -13.963 -6.114 -0.299 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -15.515 -5.790 -1.045 1.00 1.00 H new ATOM 0 HG LEU A 69 -14.794 -3.914 0.312 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -16.791 -3.645 1.745 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -17.199 -4.318 0.148 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -17.135 -5.382 1.573 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -14.622 -4.086 2.770 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -14.853 -5.846 2.653 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -13.408 -5.090 1.943 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.400 -8.973 -1.392 1.00 1.00 N ATOM 1181 CA GLN A 70 -15.957 -9.792 -2.490 1.00 1.00 C ATOM 1182 C GLN A 70 -17.057 -10.703 -1.979 1.00 1.00 C ATOM 1183 O GLN A 70 -17.985 -11.048 -2.707 1.00 1.00 O ATOM 1184 CB GLN A 70 -14.891 -10.666 -3.171 1.00 1.00 C ATOM 1185 CG GLN A 70 -14.339 -11.796 -2.309 1.00 1.00 C ATOM 1186 CD GLN A 70 -13.454 -12.758 -3.090 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -13.318 -13.924 -2.737 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -12.841 -12.279 -4.157 1.00 1.00 N ATOM 0 H GLN A 70 -14.401 -9.096 -1.227 1.00 1.00 H new ATOM 0 HA GLN A 70 -16.353 -9.086 -3.220 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.319 -11.096 -4.077 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -14.063 -10.028 -3.481 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -13.766 -11.371 -1.485 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -15.169 -12.349 -1.869 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -12.973 -11.304 -4.427 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -12.235 -12.884 -4.712 1.00 1.00 H new ATOM 1197 N ARG A 71 -16.953 -11.061 -0.712 1.00 1.00 N ATOM 1198 CA ARG A 71 -17.905 -11.955 -0.085 1.00 1.00 C ATOM 1199 C ARG A 71 -19.198 -11.239 0.315 1.00 1.00 C ATOM 1200 O ARG A 71 -20.279 -11.633 -0.110 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.275 -12.601 1.153 1.00 1.00 C ATOM 1202 CG ARG A 71 -16.025 -13.429 0.869 1.00 1.00 C ATOM 1203 CD ARG A 71 -16.317 -14.605 -0.066 1.00 1.00 C ATOM 1204 NE ARG A 71 -17.392 -15.461 0.460 1.00 1.00 N ATOM 1205 CZ ARG A 71 -18.067 -16.341 -0.234 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -17.721 -16.656 -1.440 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -19.075 -16.937 0.315 1.00 1.00 N ATOM 0 H ARG A 71 -16.209 -10.741 -0.092 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.163 -12.719 -0.818 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -17.022 -11.817 1.867 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -18.017 -13.240 1.631 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -15.262 -12.792 0.423 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -15.618 -13.805 1.808 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -16.599 -14.228 -1.049 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -15.412 -15.197 -0.200 1.00 1.00 H new ATOM 0 HE ARG A 71 -17.631 -15.360 1.447 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -16.907 -16.215 -1.869 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -18.262 -17.345 -1.962 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -19.335 -16.719 1.277 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -19.610 -17.625 -0.214 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.096 -10.168 1.096 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.311 -9.474 1.557 1.00 1.00 C ATOM 1223 C GLU A 72 -20.785 -8.369 0.597 1.00 1.00 C ATOM 1224 O GLU A 72 -21.634 -7.547 0.940 1.00 1.00 O ATOM 1225 CB GLU A 72 -20.138 -8.943 2.977 1.00 1.00 C ATOM 1226 CG GLU A 72 -20.071 -10.050 4.021 1.00 1.00 C ATOM 1227 CD GLU A 72 -20.281 -9.530 5.426 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -21.441 -9.240 5.787 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -19.284 -9.409 6.168 1.00 1.00 O ATOM 0 H GLU A 72 -18.217 -9.765 1.419 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.103 -10.222 1.565 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -19.227 -8.347 3.028 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.968 -8.277 3.214 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -20.827 -10.802 3.798 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -19.102 -10.545 3.961 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.220 -8.365 -0.597 1.00 1.00 N ATOM 1237 CA ASP A 73 -20.593 -7.451 -1.672 1.00 1.00 C ATOM 1238 C ASP A 73 -19.889 -7.944 -2.935 1.00 1.00 C ATOM 1239 O ASP A 73 -18.771 -7.527 -3.257 1.00 1.00 O ATOM 1240 CB ASP A 73 -20.241 -5.988 -1.364 1.00 1.00 C ATOM 1241 CG ASP A 73 -20.869 -5.028 -2.354 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -20.921 -5.362 -3.560 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -21.291 -3.930 -1.928 1.00 1.00 O ATOM 0 H ASP A 73 -19.473 -9.009 -0.856 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.676 -7.455 -1.798 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -20.576 -5.740 -0.357 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -19.158 -5.866 -1.379 1.00 1.00 H new ATOM 1248 N PRO A 74 -20.534 -8.860 -3.672 1.00 1.00 N ATOM 1249 CA PRO A 74 -19.936 -9.460 -4.861 1.00 1.00 C ATOM 1250 C PRO A 74 -19.711 -8.477 -5.997 1.00 1.00 C ATOM 1251 O PRO A 74 -18.980 -8.770 -6.944 1.00 1.00 O ATOM 1252 CB PRO A 74 -20.928 -10.539 -5.268 1.00 1.00 C ATOM 1253 CG PRO A 74 -22.231 -10.113 -4.686 1.00 1.00 C ATOM 1254 CD PRO A 74 -21.904 -9.348 -3.429 1.00 1.00 C ATOM 0 HA PRO A 74 -18.939 -9.841 -4.642 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -20.991 -10.626 -6.353 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -20.627 -11.515 -4.887 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -22.785 -9.489 -5.388 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -22.858 -10.976 -4.464 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -22.601 -8.525 -3.267 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -21.953 -9.986 -2.546 1.00 1.00 H new ATOM 1262 N GLU A 75 -20.328 -7.319 -5.934 1.00 1.00 N ATOM 1263 CA GLU A 75 -20.112 -6.347 -6.978 1.00 1.00 C ATOM 1264 C GLU A 75 -18.881 -5.523 -6.636 1.00 1.00 C ATOM 1265 O GLU A 75 -18.109 -5.141 -7.511 1.00 1.00 O ATOM 1266 CB GLU A 75 -21.319 -5.443 -7.175 1.00 1.00 C ATOM 1267 CG GLU A 75 -21.161 -4.534 -8.381 1.00 1.00 C ATOM 1268 CD GLU A 75 -22.411 -3.739 -8.693 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -23.287 -4.272 -9.407 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -22.512 -2.583 -8.231 1.00 1.00 O ATOM 0 H GLU A 75 -20.967 -7.033 -5.192 1.00 1.00 H new ATOM 0 HA GLU A 75 -19.959 -6.878 -7.918 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -22.213 -6.054 -7.297 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -21.467 -4.837 -6.281 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -20.335 -3.846 -8.204 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -20.894 -5.136 -9.250 1.00 1.00 H new ATOM 1277 N ARG A 76 -18.660 -5.313 -5.346 1.00 1.00 N ATOM 1278 CA ARG A 76 -17.522 -4.525 -4.902 1.00 1.00 C ATOM 1279 C ARG A 76 -16.172 -5.153 -5.221 1.00 1.00 C ATOM 1280 O ARG A 76 -15.209 -4.429 -5.434 1.00 1.00 O ATOM 1281 CB ARG A 76 -17.596 -4.211 -3.424 1.00 1.00 C ATOM 1282 CG ARG A 76 -18.232 -2.864 -3.192 1.00 1.00 C ATOM 1283 CD ARG A 76 -18.390 -2.543 -1.724 1.00 1.00 C ATOM 1284 NE ARG A 76 -18.727 -1.135 -1.531 1.00 1.00 N ATOM 1285 CZ ARG A 76 -19.811 -0.683 -0.985 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.823 -1.459 -0.739 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -19.901 0.585 -0.758 1.00 1.00 N ATOM 0 H ARG A 76 -19.249 -5.674 -4.595 1.00 1.00 H new ATOM 0 HA ARG A 76 -17.590 -3.600 -5.474 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -18.172 -4.982 -2.913 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -16.594 -4.224 -2.995 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -17.625 -2.093 -3.666 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -19.210 -2.840 -3.673 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -19.170 -3.170 -1.293 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -17.466 -2.775 -1.195 1.00 1.00 H new ATOM 0 HE ARG A 76 -18.048 -0.446 -1.855 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -20.776 -2.450 -0.977 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -21.665 -1.078 -0.308 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -19.130 1.204 -1.008 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -20.744 0.968 -0.329 1.00 1.00 H new ATOM 1301 N TYR A 77 -16.059 -6.474 -5.267 1.00 1.00 N ATOM 1302 CA TYR A 77 -14.752 -7.045 -5.605 1.00 1.00 C ATOM 1303 C TYR A 77 -14.404 -6.607 -6.996 1.00 1.00 C ATOM 1304 O TYR A 77 -13.362 -6.009 -7.263 1.00 1.00 O ATOM 1305 CB TYR A 77 -14.747 -8.569 -5.635 1.00 1.00 C ATOM 1306 CG TYR A 77 -13.344 -9.108 -5.826 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -12.399 -8.942 -4.826 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -12.956 -9.761 -6.996 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -11.107 -9.401 -4.978 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -11.659 -10.222 -7.155 1.00 1.00 C ATOM 1311 CZ TYR A 77 -10.743 -10.045 -6.140 1.00 1.00 C ATOM 1312 OH TYR A 77 -9.455 -10.507 -6.288 1.00 1.00 O ATOM 0 H TYR A 77 -16.808 -7.143 -5.087 1.00 1.00 H new ATOM 0 HA TYR A 77 -14.052 -6.706 -4.841 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -15.164 -8.955 -4.705 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -15.388 -8.922 -6.443 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -12.680 -8.444 -3.910 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -13.675 -9.909 -7.788 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -10.384 -9.256 -4.189 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -11.367 -10.717 -8.069 1.00 1.00 H new ATOM 0 HH TYR A 77 -9.361 -10.938 -7.163 1.00 1.00 H new ATOM 1322 N ARG A 78 -15.364 -6.883 -7.859 1.00 1.00 N ATOM 1323 CA ARG A 78 -15.284 -6.621 -9.255 1.00 1.00 C ATOM 1324 C ARG A 78 -15.155 -5.143 -9.562 1.00 1.00 C ATOM 1325 O ARG A 78 -14.284 -4.739 -10.318 1.00 1.00 O ATOM 1326 CB ARG A 78 -16.555 -7.179 -9.886 1.00 1.00 C ATOM 1327 CG ARG A 78 -16.670 -8.692 -9.757 1.00 1.00 C ATOM 1328 CD ARG A 78 -18.045 -9.205 -10.182 1.00 1.00 C ATOM 1329 NE ARG A 78 -18.107 -10.680 -10.226 1.00 1.00 N ATOM 1330 CZ ARG A 78 -18.918 -11.423 -9.510 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -19.639 -10.914 -8.567 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -18.966 -12.701 -9.714 1.00 1.00 N ATOM 0 H ARG A 78 -16.247 -7.311 -7.581 1.00 1.00 H new ATOM 0 HA ARG A 78 -14.390 -7.094 -9.661 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -17.422 -6.713 -9.417 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -16.579 -6.907 -10.941 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -15.902 -9.166 -10.368 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -16.479 -8.982 -8.724 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -18.799 -8.833 -9.488 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -18.291 -8.804 -11.165 1.00 1.00 H new ATOM 0 HE ARG A 78 -17.470 -11.159 -10.863 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -19.585 -9.915 -8.366 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -20.263 -11.511 -8.023 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -18.375 -13.126 -10.429 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -19.595 -13.283 -9.160 1.00 1.00 H new ATOM 1346 N ALA A 79 -15.969 -4.323 -8.929 1.00 1.00 N ATOM 1347 CA ALA A 79 -15.925 -2.912 -9.236 1.00 1.00 C ATOM 1348 C ALA A 79 -14.751 -2.191 -8.578 1.00 1.00 C ATOM 1349 O ALA A 79 -14.304 -1.170 -9.082 1.00 1.00 O ATOM 1350 CB ALA A 79 -17.240 -2.239 -8.929 1.00 1.00 C ATOM 0 H ALA A 79 -16.649 -4.599 -8.220 1.00 1.00 H new ATOM 0 HA ALA A 79 -15.756 -2.838 -10.310 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -17.171 -1.179 -9.172 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -18.031 -2.697 -9.523 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -17.469 -2.355 -7.870 1.00 1.00 H new ATOM 1356 N LEU A 80 -14.232 -2.681 -7.461 1.00 1.00 N ATOM 1357 CA LEU A 80 -13.080 -2.008 -6.891 1.00 1.00 C ATOM 1358 C LEU A 80 -11.841 -2.351 -7.714 1.00 1.00 C ATOM 1359 O LEU A 80 -10.911 -1.557 -7.816 1.00 1.00 O ATOM 1360 CB LEU A 80 -12.846 -2.350 -5.426 1.00 1.00 C ATOM 1361 CG LEU A 80 -13.920 -1.842 -4.460 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -13.628 -2.322 -3.050 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -14.009 -0.321 -4.491 1.00 1.00 C ATOM 0 H LEU A 80 -14.570 -3.499 -6.955 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.281 -0.937 -6.926 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -12.775 -3.433 -5.329 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -11.883 -1.939 -5.123 1.00 1.00 H new ATOM 0 HG LEU A 80 -14.881 -2.245 -4.780 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -14.399 -1.954 -2.373 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -13.619 -3.412 -3.031 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.656 -1.946 -2.732 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -14.779 0.013 -3.796 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.049 0.106 -4.201 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -14.262 0.008 -5.499 1.00 1.00 H new ATOM 1375 N ILE A 81 -11.840 -3.512 -8.360 1.00 1.00 N ATOM 1376 CA ILE A 81 -10.678 -3.864 -9.160 1.00 1.00 C ATOM 1377 C ILE A 81 -10.734 -3.124 -10.489 1.00 1.00 C ATOM 1378 O ILE A 81 -9.708 -2.816 -11.096 1.00 1.00 O ATOM 1379 CB ILE A 81 -10.455 -5.393 -9.307 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -11.617 -6.157 -9.959 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -10.214 -5.954 -7.919 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -11.608 -6.153 -11.470 1.00 1.00 C ATOM 0 H ILE A 81 -12.596 -4.197 -8.348 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.788 -3.534 -8.623 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.606 -5.528 -9.977 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -11.594 -7.190 -9.612 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -12.556 -5.725 -9.614 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.053 -7.030 -7.984 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.334 -5.481 -7.483 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.082 -5.755 -7.290 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -12.465 -6.716 -11.840 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.665 -5.126 -11.831 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -10.688 -6.614 -11.830 1.00 1.00 H new ATOM 1394 N GLU A 82 -11.942 -2.796 -10.922 1.00 1.00 N ATOM 1395 CA GLU A 82 -12.120 -2.018 -12.135 1.00 1.00 C ATOM 1396 C GLU A 82 -11.959 -0.522 -11.857 1.00 1.00 C ATOM 1397 O GLU A 82 -11.398 0.206 -12.662 1.00 1.00 O ATOM 1398 CB GLU A 82 -13.493 -2.270 -12.741 1.00 1.00 C ATOM 1399 CG GLU A 82 -13.704 -3.712 -13.147 1.00 1.00 C ATOM 1400 CD GLU A 82 -14.946 -3.909 -13.982 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -16.049 -3.970 -13.404 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -14.806 -4.007 -15.223 1.00 1.00 O ATOM 0 H GLU A 82 -12.809 -3.056 -10.453 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.351 -2.333 -12.841 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.260 -1.985 -12.021 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -13.622 -1.630 -13.614 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -12.836 -4.057 -13.708 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -13.772 -4.330 -12.252 1.00 1.00 H new ATOM 1409 N LYS A 83 -12.417 -0.076 -10.696 1.00 1.00 N ATOM 1410 CA LYS A 83 -12.338 1.345 -10.344 1.00 1.00 C ATOM 1411 C LYS A 83 -10.896 1.760 -10.016 1.00 1.00 C ATOM 1412 O LYS A 83 -10.499 2.898 -10.245 1.00 1.00 O ATOM 1413 CB LYS A 83 -13.324 1.641 -9.213 1.00 1.00 C ATOM 1414 CG LYS A 83 -13.273 3.046 -8.643 1.00 1.00 C ATOM 1415 CD LYS A 83 -14.598 3.407 -7.976 1.00 1.00 C ATOM 1416 CE LYS A 83 -15.047 2.341 -6.980 1.00 1.00 C ATOM 1417 NZ LYS A 83 -16.403 2.624 -6.428 1.00 1.00 N ATOM 0 H LYS A 83 -12.845 -0.667 -9.983 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.627 1.953 -11.201 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -14.334 1.454 -9.579 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -13.142 0.934 -8.404 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.463 3.120 -7.917 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -13.055 3.759 -9.438 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.496 4.363 -7.462 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -15.365 3.535 -8.740 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -15.051 1.367 -7.470 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -14.328 2.284 -6.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -16.732 1.805 -5.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -16.359 3.460 -5.812 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -17.065 2.804 -7.209 1.00 1.00 H new ATOM 1431 N LEU A 84 -10.112 0.846 -9.465 1.00 1.00 N ATOM 1432 CA LEU A 84 -8.704 1.144 -9.219 1.00 1.00 C ATOM 1433 C LEU A 84 -7.925 0.944 -10.518 1.00 1.00 C ATOM 1434 O LEU A 84 -6.971 1.656 -10.812 1.00 1.00 O ATOM 1435 CB LEU A 84 -8.125 0.254 -8.119 1.00 1.00 C ATOM 1436 CG LEU A 84 -8.740 0.457 -6.736 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -8.049 -0.432 -5.716 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -8.653 1.920 -6.325 1.00 1.00 C ATOM 0 H LEU A 84 -10.414 -0.087 -9.184 1.00 1.00 H new ATOM 0 HA LEU A 84 -8.619 2.177 -8.882 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.256 -0.789 -8.409 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -7.052 0.434 -8.053 1.00 1.00 H new ATOM 0 HG LEU A 84 -9.793 0.177 -6.777 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -8.498 -0.277 -4.735 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.164 -1.476 -6.006 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -6.989 -0.182 -5.674 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -9.096 2.047 -5.337 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -7.608 2.228 -6.297 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -9.193 2.533 -7.046 1.00 1.00 H new ATOM 1450 N GLY A 85 -8.358 -0.032 -11.305 1.00 1.00 N ATOM 1451 CA GLY A 85 -7.693 -0.307 -12.568 1.00 1.00 C ATOM 1452 C GLY A 85 -6.647 -1.375 -12.408 1.00 1.00 C ATOM 1453 O GLY A 85 -5.500 -1.239 -12.817 1.00 1.00 O ATOM 0 H GLY A 85 -9.153 -0.636 -11.095 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -8.428 -0.622 -13.309 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -7.231 0.605 -12.945 1.00 1.00 H new ATOM 1457 N ILE A 86 -7.065 -2.443 -11.804 1.00 1.00 N ATOM 1458 CA ILE A 86 -6.211 -3.565 -11.528 1.00 1.00 C ATOM 1459 C ILE A 86 -6.185 -4.517 -12.732 1.00 1.00 C ATOM 1460 O ILE A 86 -5.202 -5.258 -12.955 1.00 1.00 O ATOM 1461 CB ILE A 86 -6.740 -4.241 -10.258 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -6.359 -3.376 -9.033 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -6.261 -5.672 -10.126 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -6.899 -3.889 -7.712 1.00 1.00 C ATOM 0 H ILE A 86 -8.025 -2.566 -11.482 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.180 -3.252 -11.363 1.00 1.00 H new ATOM 0 HB ILE A 86 -7.826 -4.307 -10.318 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -5.272 -3.317 -8.969 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.725 -2.362 -9.192 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -6.663 -6.107 -9.211 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -6.603 -6.251 -10.984 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.172 -5.689 -10.088 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.585 -3.224 -6.908 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -7.988 -3.921 -7.752 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -6.513 -4.891 -7.526 1.00 1.00 H new ATOM 1476 N ARG A 87 -7.213 -4.498 -13.526 1.00 1.00 N ATOM 1477 CA ARG A 87 -7.318 -5.350 -14.753 1.00 1.00 C ATOM 1478 C ARG A 87 -6.384 -4.803 -15.842 1.00 1.00 C ATOM 1479 O ARG A 87 -5.368 -5.324 -16.248 1.00 1.00 O ATOM 1480 CB ARG A 87 -8.751 -5.238 -15.300 1.00 1.00 C ATOM 1481 CG ARG A 87 -9.820 -6.034 -14.564 1.00 1.00 C ATOM 1482 CD ARG A 87 -11.200 -5.739 -15.139 1.00 1.00 C ATOM 1483 NE ARG A 87 -11.164 -5.759 -16.619 1.00 1.00 N ATOM 1484 CZ ARG A 87 -11.748 -4.880 -17.405 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -12.641 -4.057 -16.960 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -11.464 -4.878 -18.664 1.00 1.00 N ATOM 0 H ARG A 87 -8.025 -3.901 -13.372 1.00 1.00 H new ATOM 0 HA ARG A 87 -7.057 -6.378 -14.500 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -9.040 -4.187 -15.289 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -8.745 -5.556 -16.342 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -9.607 -7.100 -14.644 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -9.801 -5.784 -13.503 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -11.916 -6.477 -14.777 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -11.544 -4.765 -14.791 1.00 1.00 H new ATOM 0 HE ARG A 87 -10.645 -6.515 -17.065 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -12.909 -4.079 -15.976 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -13.077 -3.386 -17.593 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -10.795 -5.552 -19.037 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -11.909 -4.203 -19.286 1.00 1.00 H new ATOM 1500 N GLY A 88 -6.930 -3.624 -16.161 1.00 1.00 N ATOM 1501 CA GLY A 88 -6.473 -2.618 -17.101 1.00 1.00 C ATOM 1502 C GLY A 88 -7.499 -2.393 -18.199 1.00 1.00 C ATOM 1503 O GLY A 88 -7.445 -3.218 -19.219 1.00 1.00 O ATOM 1504 OXT GLY A 88 -8.106 -1.327 -18.248 1.00 1.00 O ATOM 0 H GLY A 88 -7.797 -3.329 -15.712 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -6.287 -1.682 -16.575 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -5.526 -2.930 -17.542 1.00 1.00 H new TER 1508 GLY A 88