USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 19 HIS : no HE2:sc= 0.318 K(o=0.32,f=-1.1) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0588 (180deg=-0.369) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0869) USER MOD Single : A 3 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-1.7) USER MOD Single : A 4 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 5 HIS : no HD1:sc= -0.298 X(o=-0.3,f=0.069) USER MOD Single : A 6 HIS :FLIP no HD1:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.33) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0072 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc=-0.00233 (180deg=-0.109) USER MOD Single : A 39 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.7) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0.925 (180deg=0.88) USER MOD Single : A 44 CYS SG : rot 140:sc= -0.0907 USER MOD Single : A 45 GLN : amide:sc= 0.0412 X(o=0.041,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.762 F(o=-2.5!,f=-0.76) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -120:sc= -1.1 (180deg=-5.24!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0.35 (180deg=0.263) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 120:sc= -0.0321 USER MOD Single : A 68 SER OG : rot 180:sc= -1.03 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -72:sc= -0.559 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.266 10.604 -2.610 1.00 0.00 N ATOM 2 CA MET A 1 -14.383 9.450 -2.331 1.00 0.00 C ATOM 3 C MET A 1 -14.290 8.548 -3.573 1.00 0.00 C ATOM 4 O MET A 1 -13.196 8.131 -3.941 1.00 0.00 O ATOM 5 CB MET A 1 -14.874 8.654 -1.086 1.00 0.00 C ATOM 6 CG MET A 1 -14.811 9.451 0.232 1.00 0.00 C ATOM 7 SD MET A 1 -15.420 8.535 1.668 1.00 0.00 S ATOM 8 CE MET A 1 -17.140 8.261 1.240 1.00 0.00 C ATOM 0 H1 MET A 1 -15.218 11.277 -1.819 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.957 11.074 -3.484 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.245 10.272 -2.723 1.00 0.00 H new ATOM 0 HA MET A 1 -13.385 9.822 -2.100 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.902 8.332 -1.255 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.270 7.752 -0.983 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.779 9.752 0.415 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.394 10.365 0.121 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.691 7.953 2.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.569 9.183 0.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.207 7.480 0.483 1.00 0.00 H new ATOM 20 N GLY A 2 -15.448 8.256 -4.211 1.00 0.00 N ATOM 21 CA GLY A 2 -15.518 7.451 -5.453 1.00 0.00 C ATOM 22 C GLY A 2 -15.325 5.956 -5.221 1.00 0.00 C ATOM 23 O GLY A 2 -16.234 5.153 -5.443 1.00 0.00 O ATOM 0 H GLY A 2 -16.359 8.572 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.485 7.615 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.757 7.804 -6.149 1.00 0.00 H new ATOM 27 N HIS A 3 -14.119 5.601 -4.753 1.00 0.00 N ATOM 28 CA HIS A 3 -13.690 4.214 -4.425 1.00 0.00 C ATOM 29 C HIS A 3 -14.611 3.482 -3.410 1.00 0.00 C ATOM 30 O HIS A 3 -14.528 2.253 -3.294 1.00 0.00 O ATOM 31 CB HIS A 3 -12.218 4.242 -3.916 1.00 0.00 C ATOM 32 CG HIS A 3 -11.954 5.260 -2.828 1.00 0.00 C ATOM 33 ND1 HIS A 3 -11.016 6.265 -2.938 1.00 0.00 N ATOM 34 CD2 HIS A 3 -12.532 5.436 -1.617 1.00 0.00 C ATOM 35 CE1 HIS A 3 -11.034 7.003 -1.841 1.00 0.00 C ATOM 36 NE2 HIS A 3 -11.939 6.519 -1.026 1.00 0.00 N ATOM 0 H HIS A 3 -13.384 6.287 -4.583 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.767 3.634 -5.345 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.956 3.252 -3.542 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.558 4.449 -4.759 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.320 4.831 -1.193 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.407 7.861 -1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.165 6.889 -0.103 1.00 0.00 H new ATOM 45 N HIS A 4 -15.481 4.229 -2.688 1.00 0.00 N ATOM 46 CA HIS A 4 -16.392 3.638 -1.670 1.00 0.00 C ATOM 47 C HIS A 4 -17.491 2.779 -2.310 1.00 0.00 C ATOM 48 O HIS A 4 -18.063 1.915 -1.637 1.00 0.00 O ATOM 49 CB HIS A 4 -17.006 4.731 -0.756 1.00 0.00 C ATOM 50 CG HIS A 4 -17.912 4.188 0.336 1.00 0.00 C ATOM 51 ND1 HIS A 4 -19.284 4.328 0.312 1.00 0.00 N ATOM 52 CD2 HIS A 4 -17.639 3.460 1.450 1.00 0.00 C ATOM 53 CE1 HIS A 4 -19.810 3.716 1.353 1.00 0.00 C ATOM 54 NE2 HIS A 4 -18.838 3.181 2.062 1.00 0.00 N ATOM 0 H HIS A 4 -15.573 5.240 -2.789 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.785 2.980 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.199 5.299 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.574 5.428 -1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.661 3.156 1.792 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -20.863 3.662 1.586 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -18.955 2.647 2.923 1.00 0.00 H new ATOM 63 N HIS A 5 -17.760 2.989 -3.609 1.00 0.00 N ATOM 64 CA HIS A 5 -18.721 2.156 -4.371 1.00 0.00 C ATOM 65 C HIS A 5 -18.215 0.695 -4.497 1.00 0.00 C ATOM 66 O HIS A 5 -19.003 -0.217 -4.761 1.00 0.00 O ATOM 67 CB HIS A 5 -18.995 2.764 -5.771 1.00 0.00 C ATOM 68 CG HIS A 5 -19.746 4.079 -5.750 1.00 0.00 C ATOM 69 ND1 HIS A 5 -21.070 4.201 -6.115 1.00 0.00 N ATOM 70 CD2 HIS A 5 -19.347 5.331 -5.414 1.00 0.00 C ATOM 71 CE1 HIS A 5 -21.445 5.460 -6.011 1.00 0.00 C ATOM 72 NE2 HIS A 5 -20.423 6.169 -5.589 1.00 0.00 N ATOM 0 H HIS A 5 -17.327 3.730 -4.160 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.660 2.142 -3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.043 2.912 -6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -19.564 2.045 -6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -18.364 5.617 -5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -22.429 5.845 -6.235 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -20.427 7.175 -5.419 1.00 0.00 H new ATOM 81 N HIS A 6 -16.895 0.495 -4.295 1.00 0.00 N ATOM 82 CA HIS A 6 -16.267 -0.842 -4.262 1.00 0.00 C ATOM 83 C HIS A 6 -16.367 -1.433 -2.844 1.00 0.00 C ATOM 84 O HIS A 6 -16.236 -0.709 -1.862 1.00 0.00 O ATOM 85 CB HIS A 6 -14.782 -0.773 -4.698 1.00 0.00 C ATOM 86 CG HIS A 6 -14.575 -0.201 -6.072 1.00 0.00 C ATOM 87 ND1 HIS A 6 -14.305 1.060 -6.472 1.00 0.00 N flip ATOM 88 CD2 HIS A 6 -14.643 -0.953 -7.224 1.00 0.00 C flip ATOM 89 CE1 HIS A 6 -14.224 1.047 -7.840 1.00 0.00 C flip ATOM 90 NE2 HIS A 6 -14.429 -0.178 -8.267 1.00 0.00 N flip ATOM 0 H HIS A 6 -16.234 1.258 -4.150 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.799 -1.485 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.230 -0.170 -3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.357 -1.776 -4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.841 -2.014 -7.265 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.024 1.905 -8.465 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -14.423 -0.478 -9.242 1.00 0.00 H new ATOM 99 N HIS A 7 -16.594 -2.751 -2.758 1.00 0.00 N ATOM 100 CA HIS A 7 -16.711 -3.484 -1.482 1.00 0.00 C ATOM 101 C HIS A 7 -15.368 -4.183 -1.140 1.00 0.00 C ATOM 102 O HIS A 7 -14.313 -3.770 -1.618 1.00 0.00 O ATOM 103 CB HIS A 7 -17.883 -4.500 -1.570 1.00 0.00 C ATOM 104 CG HIS A 7 -19.255 -3.887 -1.680 1.00 0.00 C ATOM 105 ND1 HIS A 7 -20.118 -3.782 -0.609 1.00 0.00 N ATOM 106 CD2 HIS A 7 -19.925 -3.376 -2.743 1.00 0.00 C ATOM 107 CE1 HIS A 7 -21.250 -3.243 -1.007 1.00 0.00 C ATOM 108 NE2 HIS A 7 -21.160 -2.990 -2.296 1.00 0.00 N ATOM 0 H HIS A 7 -16.703 -3.347 -3.578 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.930 -2.784 -0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.720 -5.145 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.857 -5.138 -0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.553 -3.290 -3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.108 -3.042 -0.382 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.893 -2.573 -2.870 1.00 0.00 H new ATOM 117 N HIS A 8 -15.421 -5.231 -0.300 1.00 0.00 N ATOM 118 CA HIS A 8 -14.241 -5.989 0.188 1.00 0.00 C ATOM 119 C HIS A 8 -13.928 -7.208 -0.736 1.00 0.00 C ATOM 120 O HIS A 8 -13.355 -8.205 -0.288 1.00 0.00 O ATOM 121 CB HIS A 8 -14.555 -6.427 1.659 1.00 0.00 C ATOM 122 CG HIS A 8 -13.455 -7.152 2.396 1.00 0.00 C ATOM 123 ND1 HIS A 8 -13.531 -8.485 2.744 1.00 0.00 N ATOM 124 CD2 HIS A 8 -12.274 -6.716 2.873 1.00 0.00 C ATOM 125 CE1 HIS A 8 -12.446 -8.828 3.407 1.00 0.00 C ATOM 126 NE2 HIS A 8 -11.671 -7.773 3.498 1.00 0.00 N ATOM 0 H HIS A 8 -16.302 -5.588 0.071 1.00 0.00 H new ATOM 0 HA HIS A 8 -13.345 -5.369 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.820 -5.537 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.436 -7.069 1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.876 -5.716 2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.231 -9.808 3.807 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.763 -7.745 3.961 1.00 0.00 H new ATOM 135 N SER A 9 -14.254 -7.078 -2.042 1.00 0.00 N ATOM 136 CA SER A 9 -14.161 -8.172 -3.044 1.00 0.00 C ATOM 137 C SER A 9 -15.077 -9.348 -2.613 1.00 0.00 C ATOM 138 O SER A 9 -14.626 -10.311 -1.970 1.00 0.00 O ATOM 139 CB SER A 9 -12.694 -8.637 -3.285 1.00 0.00 C ATOM 140 OG SER A 9 -11.827 -7.541 -3.508 1.00 0.00 O ATOM 0 H SER A 9 -14.593 -6.201 -2.438 1.00 0.00 H new ATOM 0 HA SER A 9 -14.508 -7.787 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.346 -9.206 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.661 -9.307 -4.144 1.00 0.00 H new ATOM 0 HG SER A 9 -10.915 -7.870 -3.654 1.00 0.00 H new ATOM 146 N HIS A 10 -16.369 -9.205 -2.947 1.00 0.00 N ATOM 147 CA HIS A 10 -17.465 -10.079 -2.473 1.00 0.00 C ATOM 148 C HIS A 10 -17.377 -11.476 -3.105 1.00 0.00 C ATOM 149 O HIS A 10 -17.666 -12.487 -2.456 1.00 0.00 O ATOM 150 CB HIS A 10 -18.817 -9.414 -2.823 1.00 0.00 C ATOM 151 CG HIS A 10 -20.033 -10.065 -2.210 1.00 0.00 C ATOM 152 ND1 HIS A 10 -20.402 -9.861 -0.899 1.00 0.00 N ATOM 153 CD2 HIS A 10 -20.974 -10.889 -2.735 1.00 0.00 C ATOM 154 CE1 HIS A 10 -21.509 -10.520 -0.646 1.00 0.00 C ATOM 155 NE2 HIS A 10 -21.879 -11.150 -1.738 1.00 0.00 N ATOM 0 H HIS A 10 -16.693 -8.463 -3.568 1.00 0.00 H new ATOM 0 HA HIS A 10 -17.379 -10.204 -1.394 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -18.784 -8.372 -2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -18.933 -9.413 -3.907 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -21.005 -11.268 -3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -22.028 -10.541 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -22.707 -11.739 -1.830 1.00 0.00 H new ATOM 164 N MET A 11 -16.984 -11.504 -4.385 1.00 0.00 N ATOM 165 CA MET A 11 -16.859 -12.742 -5.180 1.00 0.00 C ATOM 166 C MET A 11 -15.570 -13.499 -4.806 1.00 0.00 C ATOM 167 O MET A 11 -14.722 -12.981 -4.060 1.00 0.00 O ATOM 168 CB MET A 11 -16.871 -12.413 -6.705 1.00 0.00 C ATOM 169 CG MET A 11 -18.026 -11.500 -7.139 1.00 0.00 C ATOM 170 SD MET A 11 -19.639 -12.118 -6.618 1.00 0.00 S ATOM 171 CE MET A 11 -20.717 -10.773 -7.101 1.00 0.00 C ATOM 0 H MET A 11 -16.741 -10.662 -4.907 1.00 0.00 H new ATOM 0 HA MET A 11 -17.712 -13.382 -4.955 1.00 0.00 H new ATOM 0 HB2 MET A 11 -15.927 -11.938 -6.971 1.00 0.00 H new ATOM 0 HB3 MET A 11 -16.928 -13.345 -7.267 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.872 -10.504 -6.723 1.00 0.00 H new ATOM 0 HG3 MET A 11 -18.014 -11.398 -8.224 1.00 0.00 H new ATOM 0 HE1 MET A 11 -21.746 -11.019 -6.839 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.418 -9.863 -6.582 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.644 -10.617 -8.177 1.00 0.00 H new ATOM 181 N ALA A 12 -15.435 -14.727 -5.340 1.00 0.00 N ATOM 182 CA ALA A 12 -14.239 -15.571 -5.155 1.00 0.00 C ATOM 183 C ALA A 12 -13.101 -15.064 -6.058 1.00 0.00 C ATOM 184 O ALA A 12 -12.879 -15.588 -7.161 1.00 0.00 O ATOM 185 CB ALA A 12 -14.587 -17.052 -5.427 1.00 0.00 C ATOM 0 H ALA A 12 -16.156 -15.164 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 12 -13.895 -15.505 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.697 -17.666 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.364 -17.376 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.945 -17.159 -6.451 1.00 0.00 H new ATOM 191 N ASP A 13 -12.445 -13.987 -5.597 1.00 0.00 N ATOM 192 CA ASP A 13 -11.381 -13.297 -6.339 1.00 0.00 C ATOM 193 C ASP A 13 -10.139 -14.217 -6.493 1.00 0.00 C ATOM 194 O ASP A 13 -9.583 -14.652 -5.483 1.00 0.00 O ATOM 195 CB ASP A 13 -11.018 -11.970 -5.615 1.00 0.00 C ATOM 196 CG ASP A 13 -9.945 -11.159 -6.361 1.00 0.00 C ATOM 197 OD1 ASP A 13 -10.277 -10.518 -7.387 1.00 0.00 O ATOM 198 OD2 ASP A 13 -8.778 -11.174 -5.943 1.00 0.00 O ATOM 0 H ASP A 13 -12.642 -13.567 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.736 -13.057 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.917 -11.363 -5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.663 -12.195 -4.609 1.00 0.00 H new ATOM 203 N PRO A 14 -9.702 -14.555 -7.764 1.00 0.00 N ATOM 204 CA PRO A 14 -8.571 -15.492 -8.038 1.00 0.00 C ATOM 205 C PRO A 14 -7.173 -14.852 -7.843 1.00 0.00 C ATOM 206 O PRO A 14 -6.295 -14.958 -8.708 1.00 0.00 O ATOM 207 CB PRO A 14 -8.820 -15.916 -9.530 1.00 0.00 C ATOM 208 CG PRO A 14 -10.127 -15.285 -9.932 1.00 0.00 C ATOM 209 CD PRO A 14 -10.285 -14.082 -9.040 1.00 0.00 C ATOM 0 HA PRO A 14 -8.556 -16.330 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.009 -15.574 -10.173 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.866 -17.001 -9.624 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.116 -14.996 -10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.955 -15.981 -9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.756 -13.213 -9.431 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.330 -13.794 -8.927 1.00 0.00 H new ATOM 217 N GLY A 15 -6.965 -14.237 -6.673 1.00 0.00 N ATOM 218 CA GLY A 15 -5.681 -13.643 -6.313 1.00 0.00 C ATOM 219 C GLY A 15 -5.862 -12.439 -5.421 1.00 0.00 C ATOM 220 O GLY A 15 -5.635 -11.312 -5.857 1.00 0.00 O ATOM 0 H GLY A 15 -7.682 -14.139 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.065 -14.385 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.147 -13.351 -7.217 1.00 0.00 H new ATOM 224 N ARG A 16 -6.232 -12.693 -4.154 1.00 0.00 N ATOM 225 CA ARG A 16 -6.593 -11.650 -3.171 1.00 0.00 C ATOM 226 C ARG A 16 -5.461 -10.623 -2.974 1.00 0.00 C ATOM 227 O ARG A 16 -5.723 -9.433 -2.819 1.00 0.00 O ATOM 228 CB ARG A 16 -6.956 -12.311 -1.817 1.00 0.00 C ATOM 229 CG ARG A 16 -7.472 -11.348 -0.721 1.00 0.00 C ATOM 230 CD ARG A 16 -8.795 -10.671 -1.097 1.00 0.00 C ATOM 231 NE ARG A 16 -9.879 -11.652 -1.321 1.00 0.00 N ATOM 232 CZ ARG A 16 -11.187 -11.430 -1.121 1.00 0.00 C ATOM 233 NH1 ARG A 16 -11.620 -10.262 -0.663 1.00 0.00 N ATOM 234 NH2 ARG A 16 -12.058 -12.384 -1.386 1.00 0.00 N ATOM 0 H ARG A 16 -6.290 -13.639 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.456 -11.110 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.717 -13.070 -1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.074 -12.827 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.604 -11.901 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.719 -10.583 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.088 -9.983 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.653 -10.076 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.609 -12.577 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.955 -9.517 -0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.618 -10.110 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.736 -13.284 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.054 -12.221 -1.236 1.00 0.00 H new ATOM 248 N GLU A 17 -4.203 -11.110 -2.983 1.00 0.00 N ATOM 249 CA GLU A 17 -3.005 -10.262 -2.817 1.00 0.00 C ATOM 250 C GLU A 17 -2.811 -9.335 -4.021 1.00 0.00 C ATOM 251 O GLU A 17 -2.352 -8.204 -3.848 1.00 0.00 O ATOM 252 CB GLU A 17 -1.747 -11.124 -2.564 1.00 0.00 C ATOM 253 CG GLU A 17 -1.854 -12.019 -1.317 1.00 0.00 C ATOM 254 CD GLU A 17 -0.557 -12.777 -0.995 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.327 -12.193 -0.345 1.00 0.00 O ATOM 256 OE2 GLU A 17 -0.416 -13.948 -1.403 1.00 0.00 O ATOM 0 H GLU A 17 -3.990 -12.100 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.159 -9.633 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.565 -11.751 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.883 -10.468 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.128 -11.404 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.659 -12.739 -1.464 1.00 0.00 H new ATOM 263 N GLY A 18 -3.157 -9.827 -5.232 1.00 0.00 N ATOM 264 CA GLY A 18 -3.199 -8.990 -6.434 1.00 0.00 C ATOM 265 C GLY A 18 -4.234 -7.872 -6.342 1.00 0.00 C ATOM 266 O GLY A 18 -3.919 -6.732 -6.661 1.00 0.00 O ATOM 0 H GLY A 18 -3.410 -10.802 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.214 -8.554 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.422 -9.615 -7.299 1.00 0.00 H new ATOM 270 N HIS A 19 -5.448 -8.200 -5.854 1.00 0.00 N ATOM 271 CA HIS A 19 -6.567 -7.225 -5.756 1.00 0.00 C ATOM 272 C HIS A 19 -6.222 -6.137 -4.713 1.00 0.00 C ATOM 273 O HIS A 19 -6.458 -4.941 -4.924 1.00 0.00 O ATOM 274 CB HIS A 19 -7.889 -7.950 -5.359 1.00 0.00 C ATOM 275 CG HIS A 19 -9.149 -7.151 -5.622 1.00 0.00 C ATOM 276 ND1 HIS A 19 -10.146 -7.591 -6.462 1.00 0.00 N ATOM 277 CD2 HIS A 19 -9.574 -5.947 -5.153 1.00 0.00 C ATOM 278 CE1 HIS A 19 -11.117 -6.702 -6.499 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.796 -5.698 -5.721 1.00 0.00 N ATOM 0 H HIS A 19 -5.684 -9.134 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.711 -6.755 -6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.950 -8.891 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.847 -8.199 -4.299 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -10.135 -8.471 -6.977 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.047 -5.306 -4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.027 -6.787 -7.075 1.00 0.00 H new ATOM 288 N LEU A 20 -5.663 -6.609 -3.593 1.00 0.00 N ATOM 289 CA LEU A 20 -5.201 -5.787 -2.469 1.00 0.00 C ATOM 290 C LEU A 20 -4.067 -4.843 -2.917 1.00 0.00 C ATOM 291 O LEU A 20 -4.051 -3.674 -2.537 1.00 0.00 O ATOM 292 CB LEU A 20 -4.757 -6.752 -1.324 1.00 0.00 C ATOM 293 CG LEU A 20 -4.298 -6.149 0.057 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.781 -5.861 0.105 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.131 -4.897 0.430 1.00 0.00 C ATOM 0 H LEU A 20 -5.515 -7.606 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.001 -5.144 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.588 -7.429 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.936 -7.358 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.489 -6.912 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.520 -5.447 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.230 -6.787 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.522 -5.145 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.790 -4.505 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.007 -4.135 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.184 -5.169 0.504 1.00 0.00 H new ATOM 307 N GLU A 21 -3.151 -5.375 -3.740 1.00 0.00 N ATOM 308 CA GLU A 21 -2.013 -4.617 -4.298 1.00 0.00 C ATOM 309 C GLU A 21 -2.520 -3.495 -5.225 1.00 0.00 C ATOM 310 O GLU A 21 -2.034 -2.355 -5.168 1.00 0.00 O ATOM 311 CB GLU A 21 -1.085 -5.568 -5.084 1.00 0.00 C ATOM 312 CG GLU A 21 0.062 -4.871 -5.825 1.00 0.00 C ATOM 313 CD GLU A 21 0.868 -5.832 -6.679 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.485 -6.076 -7.839 1.00 0.00 O ATOM 315 OE2 GLU A 21 1.880 -6.380 -6.198 1.00 0.00 O ATOM 0 H GLU A 21 -3.176 -6.349 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.455 -4.167 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.663 -6.297 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.683 -6.123 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.344 -4.081 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.721 -4.393 -5.101 1.00 0.00 H new ATOM 322 N GLN A 22 -3.525 -3.843 -6.057 1.00 0.00 N ATOM 323 CA GLN A 22 -4.159 -2.903 -6.997 1.00 0.00 C ATOM 324 C GLN A 22 -4.827 -1.765 -6.229 1.00 0.00 C ATOM 325 O GLN A 22 -4.798 -0.616 -6.678 1.00 0.00 O ATOM 326 CB GLN A 22 -5.209 -3.616 -7.892 1.00 0.00 C ATOM 327 CG GLN A 22 -4.624 -4.635 -8.885 1.00 0.00 C ATOM 328 CD GLN A 22 -5.687 -5.322 -9.749 1.00 0.00 C ATOM 329 OE1 GLN A 22 -6.835 -5.471 -9.340 1.00 0.00 O ATOM 330 NE2 GLN A 22 -5.310 -5.743 -10.945 1.00 0.00 N ATOM 0 H GLN A 22 -3.917 -4.784 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.378 -2.501 -7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.927 -4.126 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.762 -2.861 -8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.910 -4.129 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.070 -5.394 -8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.348 -5.604 -11.255 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.981 -6.207 -11.557 1.00 0.00 H new ATOM 339 N ARG A 23 -5.406 -2.097 -5.050 1.00 0.00 N ATOM 340 CA ARG A 23 -6.001 -1.106 -4.150 1.00 0.00 C ATOM 341 C ARG A 23 -4.935 -0.156 -3.606 1.00 0.00 C ATOM 342 O ARG A 23 -5.105 1.046 -3.712 1.00 0.00 O ATOM 343 CB ARG A 23 -6.758 -1.789 -2.971 1.00 0.00 C ATOM 344 CG ARG A 23 -8.144 -2.365 -3.332 1.00 0.00 C ATOM 345 CD ARG A 23 -9.078 -1.309 -3.968 1.00 0.00 C ATOM 346 NE ARG A 23 -9.041 -0.006 -3.274 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.670 0.295 -2.124 1.00 0.00 C ATOM 348 NH1 ARG A 23 -10.409 -0.603 -1.474 1.00 0.00 N ATOM 349 NH2 ARG A 23 -9.528 1.495 -1.610 1.00 0.00 N ATOM 0 H ARG A 23 -5.469 -3.055 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.722 -0.531 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.137 -2.595 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.881 -1.062 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.019 -3.198 -4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.613 -2.765 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.797 -1.166 -5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.100 -1.687 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.488 0.734 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.509 -1.547 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.875 -0.346 -0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.946 2.187 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.000 1.736 -0.738 1.00 0.00 H new ATOM 363 N ILE A 24 -3.836 -0.720 -3.066 1.00 0.00 N ATOM 364 CA ILE A 24 -2.766 0.070 -2.432 1.00 0.00 C ATOM 365 C ILE A 24 -2.219 1.107 -3.431 1.00 0.00 C ATOM 366 O ILE A 24 -2.209 2.297 -3.132 1.00 0.00 O ATOM 367 CB ILE A 24 -1.588 -0.831 -1.891 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.091 -1.819 -0.788 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.416 0.034 -1.348 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.032 -2.783 -0.272 1.00 0.00 C ATOM 0 H ILE A 24 -3.668 -1.726 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.204 0.577 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.217 -1.416 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.477 -1.240 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.925 -2.396 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.378 -0.617 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.029 0.666 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.774 0.661 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.469 -3.430 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.661 -3.392 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.207 -2.219 0.162 1.00 0.00 H new ATOM 382 N LEU A 25 -1.869 0.642 -4.654 1.00 0.00 N ATOM 383 CA LEU A 25 -1.311 1.494 -5.723 1.00 0.00 C ATOM 384 C LEU A 25 -2.305 2.589 -6.139 1.00 0.00 C ATOM 385 O LEU A 25 -1.910 3.731 -6.384 1.00 0.00 O ATOM 386 CB LEU A 25 -0.928 0.624 -6.959 1.00 0.00 C ATOM 387 CG LEU A 25 0.214 -0.413 -6.720 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.469 -1.288 -7.975 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.503 0.294 -6.242 1.00 0.00 C ATOM 0 H LEU A 25 -1.967 -0.337 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.416 1.979 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.817 0.089 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.629 1.288 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.109 -1.089 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.271 -1.997 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.440 -1.833 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.756 -0.650 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.286 -0.447 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.828 1.008 -6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.304 0.820 -5.308 1.00 0.00 H new ATOM 401 N GLN A 26 -3.597 2.226 -6.168 1.00 0.00 N ATOM 402 CA GLN A 26 -4.691 3.110 -6.601 1.00 0.00 C ATOM 403 C GLN A 26 -4.911 4.237 -5.577 1.00 0.00 C ATOM 404 O GLN A 26 -5.049 5.399 -5.960 1.00 0.00 O ATOM 405 CB GLN A 26 -5.968 2.252 -6.792 1.00 0.00 C ATOM 406 CG GLN A 26 -7.237 2.993 -7.223 1.00 0.00 C ATOM 407 CD GLN A 26 -8.391 2.015 -7.458 1.00 0.00 C ATOM 408 OE1 GLN A 26 -9.123 1.661 -6.534 1.00 0.00 O ATOM 409 NE2 GLN A 26 -8.559 1.563 -8.690 1.00 0.00 N ATOM 0 H GLN A 26 -3.915 1.298 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.438 3.587 -7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.754 1.484 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.176 1.738 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.518 3.715 -6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.041 3.556 -8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.937 1.874 -9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.310 0.904 -8.893 1.00 0.00 H new ATOM 418 N VAL A 27 -4.915 3.877 -4.278 1.00 0.00 N ATOM 419 CA VAL A 27 -5.037 4.836 -3.153 1.00 0.00 C ATOM 420 C VAL A 27 -3.866 5.847 -3.182 1.00 0.00 C ATOM 421 O VAL A 27 -4.067 7.060 -3.033 1.00 0.00 O ATOM 422 CB VAL A 27 -5.069 4.077 -1.758 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.150 5.057 -0.561 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.234 3.056 -1.702 1.00 0.00 C ATOM 0 H VAL A 27 -4.833 2.907 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.977 5.376 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.127 3.534 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.170 4.492 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.280 5.714 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.057 5.656 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.230 2.552 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.182 3.578 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.110 2.319 -2.496 1.00 0.00 H new ATOM 434 N LEU A 28 -2.658 5.318 -3.435 1.00 0.00 N ATOM 435 CA LEU A 28 -1.416 6.114 -3.524 1.00 0.00 C ATOM 436 C LEU A 28 -1.474 7.095 -4.723 1.00 0.00 C ATOM 437 O LEU A 28 -0.965 8.220 -4.634 1.00 0.00 O ATOM 438 CB LEU A 28 -0.199 5.159 -3.654 1.00 0.00 C ATOM 439 CG LEU A 28 0.077 4.224 -2.432 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.119 3.147 -2.781 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.497 5.015 -1.179 1.00 0.00 C ATOM 0 H LEU A 28 -2.511 4.320 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.309 6.708 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.345 4.536 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.692 5.761 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.862 3.724 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.291 2.512 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.751 2.539 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.054 3.626 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.678 4.324 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.408 5.574 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.298 5.708 -0.903 1.00 0.00 H new ATOM 453 N THR A 29 -2.124 6.655 -5.827 1.00 0.00 N ATOM 454 CA THR A 29 -2.275 7.451 -7.056 1.00 0.00 C ATOM 455 C THR A 29 -3.321 8.568 -6.874 1.00 0.00 C ATOM 456 O THR A 29 -3.081 9.702 -7.293 1.00 0.00 O ATOM 457 CB THR A 29 -2.679 6.536 -8.262 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.675 5.530 -8.446 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.844 7.313 -9.584 1.00 0.00 C ATOM 0 H THR A 29 -2.558 5.734 -5.884 1.00 0.00 H new ATOM 0 HA THR A 29 -1.311 7.913 -7.268 1.00 0.00 H new ATOM 0 HB THR A 29 -3.646 6.098 -8.017 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.764 4.847 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.124 6.622 -10.379 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.622 8.067 -9.468 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.903 7.799 -9.840 1.00 0.00 H new ATOM 467 N GLU A 30 -4.475 8.252 -6.231 1.00 0.00 N ATOM 468 CA GLU A 30 -5.586 9.214 -6.024 1.00 0.00 C ATOM 469 C GLU A 30 -5.121 10.386 -5.155 1.00 0.00 C ATOM 470 O GLU A 30 -5.463 11.541 -5.428 1.00 0.00 O ATOM 471 CB GLU A 30 -6.817 8.508 -5.367 1.00 0.00 C ATOM 472 CG GLU A 30 -7.494 7.429 -6.244 1.00 0.00 C ATOM 473 CD GLU A 30 -8.677 6.727 -5.550 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.444 5.806 -4.736 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.851 7.118 -5.781 1.00 0.00 O ATOM 0 H GLU A 30 -4.660 7.327 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.890 9.598 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.497 8.047 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.558 9.265 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.846 7.890 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.752 6.682 -6.524 1.00 0.00 H new ATOM 482 N ALA A 31 -4.341 10.060 -4.107 1.00 0.00 N ATOM 483 CA ALA A 31 -3.686 11.062 -3.248 1.00 0.00 C ATOM 484 C ALA A 31 -2.642 11.848 -4.045 1.00 0.00 C ATOM 485 O ALA A 31 -2.536 13.063 -3.912 1.00 0.00 O ATOM 486 CB ALA A 31 -3.009 10.383 -2.042 1.00 0.00 C ATOM 0 H ALA A 31 -4.148 9.097 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.451 11.748 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.531 11.139 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.759 9.851 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.258 9.677 -2.396 1.00 0.00 H new ATOM 492 N GLY A 32 -1.882 11.111 -4.880 1.00 0.00 N ATOM 493 CA GLY A 32 -0.701 11.653 -5.558 1.00 0.00 C ATOM 494 C GLY A 32 0.384 12.060 -4.555 1.00 0.00 C ATOM 495 O GLY A 32 1.204 12.940 -4.824 1.00 0.00 O ATOM 0 H GLY A 32 -2.072 10.133 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.301 10.908 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.988 12.518 -6.156 1.00 0.00 H new ATOM 499 N SER A 33 0.363 11.372 -3.407 1.00 0.00 N ATOM 500 CA SER A 33 1.099 11.739 -2.192 1.00 0.00 C ATOM 501 C SER A 33 1.260 10.494 -1.286 1.00 0.00 C ATOM 502 O SER A 33 0.545 9.499 -1.494 1.00 0.00 O ATOM 503 CB SER A 33 0.327 12.866 -1.434 1.00 0.00 C ATOM 504 OG SER A 33 0.234 14.053 -2.215 1.00 0.00 O ATOM 0 H SER A 33 -0.184 10.518 -3.295 1.00 0.00 H new ATOM 0 HA SER A 33 2.089 12.108 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.674 12.516 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.834 13.087 -0.494 1.00 0.00 H new ATOM 0 HG SER A 33 -0.256 14.737 -1.713 1.00 0.00 H new ATOM 510 N PRO A 34 2.218 10.504 -0.303 1.00 0.00 N ATOM 511 CA PRO A 34 2.342 9.427 0.709 1.00 0.00 C ATOM 512 C PRO A 34 1.028 9.148 1.476 1.00 0.00 C ATOM 513 O PRO A 34 0.421 10.065 2.025 1.00 0.00 O ATOM 514 CB PRO A 34 3.442 9.957 1.670 1.00 0.00 C ATOM 515 CG PRO A 34 4.270 10.873 0.824 1.00 0.00 C ATOM 516 CD PRO A 34 3.292 11.531 -0.127 1.00 0.00 C ATOM 0 HA PRO A 34 2.585 8.472 0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.007 10.485 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.041 9.142 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.784 11.615 1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.036 10.321 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.895 12.458 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.765 11.782 -1.077 1.00 0.00 H new ATOM 524 N VAL A 35 0.597 7.881 1.471 1.00 0.00 N ATOM 525 CA VAL A 35 -0.563 7.400 2.236 1.00 0.00 C ATOM 526 C VAL A 35 -0.051 6.553 3.412 1.00 0.00 C ATOM 527 O VAL A 35 0.778 5.656 3.217 1.00 0.00 O ATOM 528 CB VAL A 35 -1.543 6.557 1.332 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.670 5.896 2.153 1.00 0.00 C ATOM 530 CG2 VAL A 35 -2.118 7.424 0.180 1.00 0.00 C ATOM 0 H VAL A 35 1.051 7.148 0.927 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.128 8.256 2.606 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.960 5.749 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.319 5.327 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.235 5.227 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.253 6.667 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.791 6.820 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.667 8.268 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.301 7.794 -0.440 1.00 0.00 H new ATOM 540 N LYS A 36 -0.553 6.848 4.623 1.00 0.00 N ATOM 541 CA LYS A 36 -0.164 6.149 5.860 1.00 0.00 C ATOM 542 C LYS A 36 -0.650 4.697 5.831 1.00 0.00 C ATOM 543 O LYS A 36 -1.653 4.389 5.185 1.00 0.00 O ATOM 544 CB LYS A 36 -0.744 6.903 7.084 1.00 0.00 C ATOM 545 CG LYS A 36 -0.243 8.361 7.206 1.00 0.00 C ATOM 546 CD LYS A 36 -0.965 9.166 8.316 1.00 0.00 C ATOM 547 CE LYS A 36 -0.499 10.630 8.376 1.00 0.00 C ATOM 548 NZ LYS A 36 -0.781 11.370 7.114 1.00 0.00 N ATOM 0 H LYS A 36 -1.245 7.583 4.772 1.00 0.00 H new ATOM 0 HA LYS A 36 0.923 6.134 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.832 6.906 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.482 6.360 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.828 8.354 7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.382 8.867 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.040 9.137 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.786 8.691 9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.995 11.132 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.571 10.659 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.623 12.387 7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.148 11.029 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.769 11.212 6.832 1.00 0.00 H new ATOM 562 N LEU A 37 0.082 3.823 6.532 1.00 0.00 N ATOM 563 CA LEU A 37 -0.224 2.392 6.632 1.00 0.00 C ATOM 564 C LEU A 37 -1.584 2.180 7.325 1.00 0.00 C ATOM 565 O LEU A 37 -2.405 1.409 6.841 1.00 0.00 O ATOM 566 CB LEU A 37 0.907 1.680 7.403 1.00 0.00 C ATOM 567 CG LEU A 37 0.670 0.181 7.764 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.490 -0.715 6.512 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.806 -0.325 8.671 1.00 0.00 C ATOM 0 H LEU A 37 0.916 4.095 7.053 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.291 1.964 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.819 1.747 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.087 2.229 8.327 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.271 0.115 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.328 -1.747 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.370 -0.370 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.385 -0.659 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.634 -1.372 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.758 -0.227 8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.831 0.266 9.587 1.00 0.00 H new ATOM 581 N ALA A 38 -1.776 2.851 8.480 1.00 0.00 N ATOM 582 CA ALA A 38 -3.075 2.926 9.182 1.00 0.00 C ATOM 583 C ALA A 38 -4.224 3.340 8.244 1.00 0.00 C ATOM 584 O ALA A 38 -5.340 2.820 8.358 1.00 0.00 O ATOM 585 CB ALA A 38 -2.987 3.881 10.377 1.00 0.00 C ATOM 0 H ALA A 38 -1.030 3.359 8.955 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.301 1.923 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.953 3.923 10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.229 3.523 11.074 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.717 4.877 10.027 1.00 0.00 H new ATOM 591 N GLN A 39 -3.945 4.262 7.301 1.00 0.00 N ATOM 592 CA GLN A 39 -4.932 4.703 6.309 1.00 0.00 C ATOM 593 C GLN A 39 -5.140 3.605 5.250 1.00 0.00 C ATOM 594 O GLN A 39 -6.261 3.385 4.813 1.00 0.00 O ATOM 595 CB GLN A 39 -4.476 6.020 5.636 1.00 0.00 C ATOM 596 CG GLN A 39 -5.532 6.649 4.705 1.00 0.00 C ATOM 597 CD GLN A 39 -5.014 7.850 3.918 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.157 8.595 4.380 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.503 8.017 2.706 1.00 0.00 N ATOM 0 H GLN A 39 -3.036 4.715 7.210 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.879 4.888 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.215 6.740 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.570 5.827 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.885 5.891 4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.391 6.958 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.216 7.379 2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.169 8.784 2.123 1.00 0.00 H new ATOM 608 N LEU A 40 -4.053 2.890 4.889 1.00 0.00 N ATOM 609 CA LEU A 40 -4.099 1.778 3.906 1.00 0.00 C ATOM 610 C LEU A 40 -4.992 0.640 4.426 1.00 0.00 C ATOM 611 O LEU A 40 -5.599 -0.066 3.633 1.00 0.00 O ATOM 612 CB LEU A 40 -2.661 1.244 3.592 1.00 0.00 C ATOM 613 CG LEU A 40 -1.749 2.162 2.710 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.292 1.627 2.655 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.346 2.328 1.286 1.00 0.00 C ATOM 0 H LEU A 40 -3.122 3.063 5.267 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.526 2.163 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.150 1.064 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.757 0.279 3.094 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.715 3.147 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.315 2.287 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.122 1.594 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.289 0.624 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.696 2.970 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.427 1.351 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.335 2.780 1.357 1.00 0.00 H new ATOM 627 N VAL A 41 -5.032 0.464 5.769 1.00 0.00 N ATOM 628 CA VAL A 41 -5.925 -0.513 6.426 1.00 0.00 C ATOM 629 C VAL A 41 -7.390 -0.233 6.071 1.00 0.00 C ATOM 630 O VAL A 41 -8.089 -1.113 5.558 1.00 0.00 O ATOM 631 CB VAL A 41 -5.750 -0.536 7.998 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.633 -1.632 8.644 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.263 -0.715 8.407 1.00 0.00 C ATOM 0 H VAL A 41 -4.450 0.992 6.420 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.640 -1.495 6.050 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.082 0.432 8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.491 -1.623 9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.681 -1.438 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.350 -2.607 8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.183 -0.726 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.886 -1.656 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.674 0.111 8.008 1.00 0.00 H new ATOM 643 N LYS A 42 -7.828 1.021 6.312 1.00 0.00 N ATOM 644 CA LYS A 42 -9.241 1.403 6.149 1.00 0.00 C ATOM 645 C LYS A 42 -9.620 1.545 4.661 1.00 0.00 C ATOM 646 O LYS A 42 -10.714 1.138 4.274 1.00 0.00 O ATOM 647 CB LYS A 42 -9.571 2.686 6.966 1.00 0.00 C ATOM 648 CG LYS A 42 -8.913 4.000 6.481 1.00 0.00 C ATOM 649 CD LYS A 42 -9.184 5.190 7.439 1.00 0.00 C ATOM 650 CE LYS A 42 -8.725 6.546 6.878 1.00 0.00 C ATOM 651 NZ LYS A 42 -9.497 6.948 5.679 1.00 0.00 N ATOM 0 H LYS A 42 -7.223 1.782 6.619 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.855 0.598 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.652 2.824 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.274 2.517 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.837 3.851 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.288 4.245 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.252 5.237 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.676 5.007 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.830 7.310 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.666 6.492 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.211 7.904 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.310 6.279 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.513 6.943 5.902 1.00 0.00 H new ATOM 665 N GLU A 43 -8.712 2.109 3.832 1.00 0.00 N ATOM 666 CA GLU A 43 -8.921 2.259 2.379 1.00 0.00 C ATOM 667 C GLU A 43 -8.994 0.903 1.670 1.00 0.00 C ATOM 668 O GLU A 43 -10.012 0.573 1.062 1.00 0.00 O ATOM 669 CB GLU A 43 -7.786 3.120 1.746 1.00 0.00 C ATOM 670 CG GLU A 43 -7.692 4.558 2.290 1.00 0.00 C ATOM 671 CD GLU A 43 -9.022 5.323 2.207 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.418 5.736 1.096 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.680 5.513 3.251 1.00 0.00 O ATOM 0 H GLU A 43 -7.815 2.472 4.154 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.877 2.764 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.832 2.619 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.939 3.163 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.362 4.526 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.931 5.102 1.731 1.00 0.00 H new ATOM 680 N CYS A 44 -7.929 0.100 1.803 1.00 0.00 N ATOM 681 CA CYS A 44 -7.793 -1.171 1.075 1.00 0.00 C ATOM 682 C CYS A 44 -8.587 -2.299 1.766 1.00 0.00 C ATOM 683 O CYS A 44 -8.645 -3.422 1.250 1.00 0.00 O ATOM 684 CB CYS A 44 -6.296 -1.527 0.943 1.00 0.00 C ATOM 685 SG CYS A 44 -5.289 -0.190 0.257 1.00 0.00 S ATOM 0 H CYS A 44 -7.141 0.311 2.415 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.215 -1.057 0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.907 -1.795 1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.196 -2.408 0.309 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.154 -0.133 0.889 1.00 0.00 H new ATOM 691 N GLN A 45 -9.180 -1.960 2.944 1.00 0.00 N ATOM 692 CA GLN A 45 -10.138 -2.808 3.691 1.00 0.00 C ATOM 693 C GLN A 45 -9.491 -4.135 4.141 1.00 0.00 C ATOM 694 O GLN A 45 -10.165 -5.150 4.307 1.00 0.00 O ATOM 695 CB GLN A 45 -11.434 -3.017 2.849 1.00 0.00 C ATOM 696 CG GLN A 45 -12.140 -1.700 2.470 1.00 0.00 C ATOM 697 CD GLN A 45 -13.420 -1.887 1.652 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.507 -2.008 2.205 1.00 0.00 O ATOM 699 NE2 GLN A 45 -13.295 -1.904 0.334 1.00 0.00 N ATOM 0 H GLN A 45 -8.998 -1.069 3.407 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.424 -2.294 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.182 -3.560 1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.127 -3.642 3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.382 -1.155 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.447 -1.080 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.374 -1.800 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.120 -2.021 -0.255 1.00 0.00 H new ATOM 708 N ALA A 46 -8.181 -4.079 4.405 1.00 0.00 N ATOM 709 CA ALA A 46 -7.370 -5.260 4.762 1.00 0.00 C ATOM 710 C ALA A 46 -6.575 -4.993 6.054 1.00 0.00 C ATOM 711 O ALA A 46 -6.216 -3.840 6.313 1.00 0.00 O ATOM 712 CB ALA A 46 -6.427 -5.600 3.604 1.00 0.00 C ATOM 0 H ALA A 46 -7.646 -3.211 4.378 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.029 -6.110 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.828 -6.472 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.012 -5.818 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.769 -4.753 3.410 1.00 0.00 H new ATOM 718 N PRO A 47 -6.276 -6.048 6.883 1.00 0.00 N ATOM 719 CA PRO A 47 -5.510 -5.880 8.136 1.00 0.00 C ATOM 720 C PRO A 47 -4.067 -5.424 7.865 1.00 0.00 C ATOM 721 O PRO A 47 -3.460 -5.857 6.879 1.00 0.00 O ATOM 722 CB PRO A 47 -5.539 -7.299 8.790 1.00 0.00 C ATOM 723 CG PRO A 47 -6.640 -8.029 8.083 1.00 0.00 C ATOM 724 CD PRO A 47 -6.644 -7.471 6.680 1.00 0.00 C ATOM 0 HA PRO A 47 -5.937 -5.110 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.584 -7.810 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.731 -7.236 9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.461 -9.104 8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.599 -7.867 8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.927 -7.985 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.622 -7.571 6.209 1.00 0.00 H new ATOM 732 N LYS A 48 -3.557 -4.534 8.739 1.00 0.00 N ATOM 733 CA LYS A 48 -2.147 -4.078 8.755 1.00 0.00 C ATOM 734 C LYS A 48 -1.156 -5.249 8.562 1.00 0.00 C ATOM 735 O LYS A 48 -0.184 -5.111 7.824 1.00 0.00 O ATOM 736 CB LYS A 48 -1.839 -3.357 10.092 1.00 0.00 C ATOM 737 CG LYS A 48 -0.354 -2.956 10.281 1.00 0.00 C ATOM 738 CD LYS A 48 -0.012 -2.539 11.727 1.00 0.00 C ATOM 739 CE LYS A 48 1.500 -2.382 11.952 1.00 0.00 C ATOM 740 NZ LYS A 48 1.824 -2.141 13.382 1.00 0.00 N ATOM 0 H LYS A 48 -4.122 -4.101 9.469 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.019 -3.389 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.455 -2.460 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.134 -4.006 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.281 -3.794 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.119 -2.132 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.510 -1.597 11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.404 -3.285 12.419 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.013 -3.280 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.873 -1.553 11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.853 -2.041 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.355 -1.270 13.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.491 -2.944 13.953 1.00 0.00 H new ATOM 754 N ARG A 49 -1.448 -6.387 9.223 1.00 0.00 N ATOM 755 CA ARG A 49 -0.653 -7.628 9.137 1.00 0.00 C ATOM 756 C ARG A 49 -0.466 -8.082 7.678 1.00 0.00 C ATOM 757 O ARG A 49 0.670 -8.317 7.226 1.00 0.00 O ATOM 758 CB ARG A 49 -1.349 -8.750 9.960 1.00 0.00 C ATOM 759 CG ARG A 49 -1.418 -8.494 11.484 1.00 0.00 C ATOM 760 CD ARG A 49 -2.377 -9.460 12.208 1.00 0.00 C ATOM 761 NE ARG A 49 -2.053 -10.878 11.959 1.00 0.00 N ATOM 762 CZ ARG A 49 -2.948 -11.885 11.885 1.00 0.00 C ATOM 763 NH1 ARG A 49 -4.253 -11.657 12.029 1.00 0.00 N ATOM 764 NH2 ARG A 49 -2.519 -13.120 11.674 1.00 0.00 N ATOM 0 H ARG A 49 -2.255 -6.471 9.841 1.00 0.00 H new ATOM 0 HA ARG A 49 0.336 -7.427 9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.363 -8.881 9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.821 -9.688 9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.420 -8.593 11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.740 -7.468 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.340 -9.266 13.280 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.399 -9.263 11.883 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.070 -11.117 11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.589 -10.709 12.198 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.915 -12.430 11.970 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.521 -13.302 11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.187 -13.889 11.616 1.00 0.00 H new ATOM 778 N GLU A 50 -1.595 -8.176 6.951 1.00 0.00 N ATOM 779 CA GLU A 50 -1.616 -8.610 5.550 1.00 0.00 C ATOM 780 C GLU A 50 -0.907 -7.582 4.656 1.00 0.00 C ATOM 781 O GLU A 50 -0.080 -7.957 3.801 1.00 0.00 O ATOM 782 CB GLU A 50 -3.077 -8.823 5.093 1.00 0.00 C ATOM 783 CG GLU A 50 -3.215 -9.275 3.635 1.00 0.00 C ATOM 784 CD GLU A 50 -4.663 -9.549 3.246 1.00 0.00 C ATOM 785 OE1 GLU A 50 -5.157 -10.678 3.477 1.00 0.00 O ATOM 786 OE2 GLU A 50 -5.319 -8.639 2.709 1.00 0.00 O ATOM 0 H GLU A 50 -2.518 -7.952 7.323 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.080 -9.555 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.544 -9.567 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.628 -7.892 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.805 -8.507 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.623 -10.177 3.480 1.00 0.00 H new ATOM 793 N LEU A 51 -1.225 -6.290 4.897 1.00 0.00 N ATOM 794 CA LEU A 51 -0.665 -5.158 4.149 1.00 0.00 C ATOM 795 C LEU A 51 0.862 -5.179 4.174 1.00 0.00 C ATOM 796 O LEU A 51 1.471 -5.128 3.127 1.00 0.00 O ATOM 797 CB LEU A 51 -1.171 -3.814 4.727 1.00 0.00 C ATOM 798 CG LEU A 51 -2.689 -3.530 4.555 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.087 -2.273 5.331 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.080 -3.401 3.069 1.00 0.00 C ATOM 0 H LEU A 51 -1.884 -6.009 5.623 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.000 -5.254 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.934 -3.786 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.614 -3.005 4.255 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.235 -4.381 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.153 -2.087 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.870 -2.415 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.522 -1.420 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.149 -3.203 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.524 -2.580 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.844 -4.329 2.549 1.00 0.00 H new ATOM 812 N ASN A 52 1.450 -5.298 5.392 1.00 0.00 N ATOM 813 CA ASN A 52 2.914 -5.317 5.608 1.00 0.00 C ATOM 814 C ASN A 52 3.626 -6.296 4.666 1.00 0.00 C ATOM 815 O ASN A 52 4.477 -5.882 3.871 1.00 0.00 O ATOM 816 CB ASN A 52 3.259 -5.674 7.088 1.00 0.00 C ATOM 817 CG ASN A 52 2.839 -4.608 8.114 1.00 0.00 C ATOM 818 OD1 ASN A 52 2.906 -3.343 7.755 1.00 0.00 O flip ATOM 819 ND2 ASN A 52 2.480 -4.921 9.243 1.00 0.00 N flip ATOM 0 H ASN A 52 0.915 -5.384 6.256 1.00 0.00 H new ATOM 0 HA ASN A 52 3.272 -4.312 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.776 -6.617 7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.334 -5.835 7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.432 -5.905 9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.229 -4.198 9.917 1.00 0.00 H new ATOM 826 N GLN A 53 3.204 -7.572 4.719 1.00 0.00 N ATOM 827 CA GLN A 53 3.815 -8.666 3.946 1.00 0.00 C ATOM 828 C GLN A 53 3.762 -8.403 2.423 1.00 0.00 C ATOM 829 O GLN A 53 4.753 -8.639 1.717 1.00 0.00 O ATOM 830 CB GLN A 53 3.121 -10.010 4.291 1.00 0.00 C ATOM 831 CG GLN A 53 3.278 -10.455 5.758 1.00 0.00 C ATOM 832 CD GLN A 53 2.735 -11.868 6.005 1.00 0.00 C ATOM 833 OE1 GLN A 53 1.570 -12.049 6.345 1.00 0.00 O ATOM 834 NE2 GLN A 53 3.577 -12.874 5.838 1.00 0.00 N ATOM 0 H GLN A 53 2.424 -7.874 5.303 1.00 0.00 H new ATOM 0 HA GLN A 53 4.867 -8.721 4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.059 -9.924 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.524 -10.789 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.332 -10.421 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.756 -9.750 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.540 -12.692 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.264 -13.832 5.992 1.00 0.00 H new ATOM 843 N VAL A 54 2.614 -7.889 1.935 1.00 0.00 N ATOM 844 CA VAL A 54 2.426 -7.552 0.510 1.00 0.00 C ATOM 845 C VAL A 54 3.305 -6.336 0.126 1.00 0.00 C ATOM 846 O VAL A 54 4.027 -6.388 -0.860 1.00 0.00 O ATOM 847 CB VAL A 54 0.902 -7.266 0.194 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.675 -6.844 -1.282 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.022 -8.494 0.563 1.00 0.00 C ATOM 0 H VAL A 54 1.797 -7.697 2.514 1.00 0.00 H new ATOM 0 HA VAL A 54 2.737 -8.407 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 54 0.599 -6.423 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.386 -6.659 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.239 -5.935 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.013 -7.641 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.022 -8.275 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.344 -9.360 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.126 -8.710 1.626 1.00 0.00 H new ATOM 859 N LEU A 55 3.248 -5.273 0.950 1.00 0.00 N ATOM 860 CA LEU A 55 3.982 -3.996 0.764 1.00 0.00 C ATOM 861 C LEU A 55 5.502 -4.159 0.625 1.00 0.00 C ATOM 862 O LEU A 55 6.113 -3.428 -0.160 1.00 0.00 O ATOM 863 CB LEU A 55 3.658 -3.033 1.950 1.00 0.00 C ATOM 864 CG LEU A 55 2.286 -2.284 1.869 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.890 -1.675 3.234 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.325 -1.202 0.766 1.00 0.00 C ATOM 0 H LEU A 55 2.673 -5.274 1.792 1.00 0.00 H new ATOM 0 HA LEU A 55 3.638 -3.579 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.682 -3.608 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.452 -2.289 2.016 1.00 0.00 H new ATOM 0 HG LEU A 55 1.520 -3.014 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.932 -1.163 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.805 -2.469 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.653 -0.963 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.363 -0.691 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.110 -0.480 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.530 -1.671 -0.196 1.00 0.00 H new ATOM 878 N TYR A 56 6.130 -5.087 1.385 1.00 0.00 N ATOM 879 CA TYR A 56 7.586 -5.332 1.278 1.00 0.00 C ATOM 880 C TYR A 56 7.926 -6.014 -0.049 1.00 0.00 C ATOM 881 O TYR A 56 9.003 -5.788 -0.603 1.00 0.00 O ATOM 882 CB TYR A 56 8.086 -6.188 2.473 1.00 0.00 C ATOM 883 CG TYR A 56 7.819 -5.552 3.844 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.036 -4.188 4.059 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.309 -6.297 4.909 1.00 0.00 C ATOM 886 CE1 TYR A 56 7.766 -3.605 5.280 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.032 -5.707 6.124 1.00 0.00 C ATOM 888 CZ TYR A 56 7.257 -4.362 6.302 1.00 0.00 C ATOM 889 OH TYR A 56 6.968 -3.763 7.511 1.00 0.00 O ATOM 0 H TYR A 56 5.656 -5.673 2.072 1.00 0.00 H new ATOM 0 HA TYR A 56 8.095 -4.369 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.603 -7.165 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.157 -6.357 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.422 -3.579 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.128 -7.354 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.956 -2.552 5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.638 -6.301 6.936 1.00 0.00 H new ATOM 0 HH TYR A 56 6.613 -4.433 8.132 1.00 0.00 H new ATOM 899 N ARG A 57 6.977 -6.823 -0.556 1.00 0.00 N ATOM 900 CA ARG A 57 7.098 -7.499 -1.856 1.00 0.00 C ATOM 901 C ARG A 57 6.965 -6.460 -2.986 1.00 0.00 C ATOM 902 O ARG A 57 7.755 -6.460 -3.931 1.00 0.00 O ATOM 903 CB ARG A 57 6.008 -8.603 -1.965 1.00 0.00 C ATOM 904 CG ARG A 57 6.015 -9.424 -3.272 1.00 0.00 C ATOM 905 CD ARG A 57 4.980 -10.562 -3.246 1.00 0.00 C ATOM 906 NE ARG A 57 3.625 -10.061 -2.940 1.00 0.00 N ATOM 907 CZ ARG A 57 2.691 -10.722 -2.231 1.00 0.00 C ATOM 908 NH1 ARG A 57 2.915 -11.938 -1.746 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.526 -10.147 -2.010 1.00 0.00 N ATOM 0 H ARG A 57 6.102 -7.025 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 57 8.074 -7.975 -1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.127 -9.289 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.030 -8.134 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.807 -8.765 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.009 -9.842 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.971 -11.068 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.271 -11.302 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 57 3.376 -9.138 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.813 -12.394 -1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.189 -12.416 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.341 -9.213 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.809 -10.636 -1.474 1.00 0.00 H new ATOM 923 N MET A 58 5.974 -5.554 -2.843 1.00 0.00 N ATOM 924 CA MET A 58 5.734 -4.427 -3.770 1.00 0.00 C ATOM 925 C MET A 58 6.922 -3.450 -3.771 1.00 0.00 C ATOM 926 O MET A 58 7.205 -2.829 -4.785 1.00 0.00 O ATOM 927 CB MET A 58 4.423 -3.685 -3.369 1.00 0.00 C ATOM 928 CG MET A 58 3.150 -4.556 -3.367 1.00 0.00 C ATOM 929 SD MET A 58 1.744 -3.742 -2.572 1.00 0.00 S ATOM 930 CE MET A 58 1.472 -2.341 -3.647 1.00 0.00 C ATOM 0 H MET A 58 5.309 -5.585 -2.070 1.00 0.00 H new ATOM 0 HA MET A 58 5.627 -4.826 -4.779 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.555 -3.260 -2.374 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.272 -2.851 -4.054 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.885 -4.807 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.358 -5.495 -2.853 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.585 -1.418 -3.078 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.200 -2.358 -4.458 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.465 -2.391 -4.062 1.00 0.00 H new ATOM 940 N LYS A 59 7.598 -3.321 -2.610 1.00 0.00 N ATOM 941 CA LYS A 59 8.828 -2.514 -2.462 1.00 0.00 C ATOM 942 C LYS A 59 9.952 -3.074 -3.347 1.00 0.00 C ATOM 943 O LYS A 59 10.647 -2.315 -4.036 1.00 0.00 O ATOM 944 CB LYS A 59 9.263 -2.487 -0.968 1.00 0.00 C ATOM 945 CG LYS A 59 10.647 -1.851 -0.696 1.00 0.00 C ATOM 946 CD LYS A 59 11.049 -1.868 0.794 1.00 0.00 C ATOM 947 CE LYS A 59 10.110 -1.033 1.675 1.00 0.00 C ATOM 948 NZ LYS A 59 10.557 -1.002 3.089 1.00 0.00 N ATOM 0 H LYS A 59 7.305 -3.776 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 59 8.623 -1.494 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.512 -1.941 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.270 -3.509 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.403 -2.383 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.641 -0.820 -1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.055 -2.898 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.066 -1.490 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.060 -0.015 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.102 -1.444 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.896 -0.428 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.581 -1.971 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.509 -0.586 3.143 1.00 0.00 H new ATOM 962 N LYS A 60 10.111 -4.412 -3.322 1.00 0.00 N ATOM 963 CA LYS A 60 11.087 -5.135 -4.161 1.00 0.00 C ATOM 964 C LYS A 60 10.758 -4.958 -5.658 1.00 0.00 C ATOM 965 O LYS A 60 11.654 -4.854 -6.495 1.00 0.00 O ATOM 966 CB LYS A 60 11.058 -6.636 -3.786 1.00 0.00 C ATOM 967 CG LYS A 60 11.384 -6.954 -2.305 1.00 0.00 C ATOM 968 CD LYS A 60 10.951 -8.392 -1.898 1.00 0.00 C ATOM 969 CE LYS A 60 11.203 -8.702 -0.410 1.00 0.00 C ATOM 970 NZ LYS A 60 12.651 -8.830 -0.094 1.00 0.00 N ATOM 0 H LYS A 60 9.564 -5.024 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 60 12.082 -4.728 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.069 -7.032 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.769 -7.166 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.455 -6.839 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.882 -6.231 -1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.891 -8.521 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.491 -9.114 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.769 -7.911 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.693 -9.627 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.768 -9.038 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.062 -9.602 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.136 -7.939 -0.322 1.00 0.00 H new ATOM 984 N GLU A 61 9.450 -4.914 -5.965 1.00 0.00 N ATOM 985 CA GLU A 61 8.940 -4.725 -7.337 1.00 0.00 C ATOM 986 C GLU A 61 8.845 -3.227 -7.699 1.00 0.00 C ATOM 987 O GLU A 61 8.309 -2.896 -8.755 1.00 0.00 O ATOM 988 CB GLU A 61 7.547 -5.402 -7.491 1.00 0.00 C ATOM 989 CG GLU A 61 7.498 -6.898 -7.130 1.00 0.00 C ATOM 990 CD GLU A 61 8.499 -7.756 -7.925 1.00 0.00 C ATOM 991 OE1 GLU A 61 8.242 -8.051 -9.107 1.00 0.00 O ATOM 992 OE2 GLU A 61 9.543 -8.148 -7.362 1.00 0.00 O ATOM 0 H GLU A 61 8.713 -5.009 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 61 9.644 -5.194 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.832 -4.870 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.216 -5.283 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.699 -7.013 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.490 -7.273 -7.307 1.00 0.00 H new ATOM 999 N LEU A 62 9.329 -2.337 -6.790 1.00 0.00 N ATOM 1000 CA LEU A 62 9.438 -0.862 -7.002 1.00 0.00 C ATOM 1001 C LEU A 62 8.057 -0.163 -7.128 1.00 0.00 C ATOM 1002 O LEU A 62 7.984 1.027 -7.457 1.00 0.00 O ATOM 1003 CB LEU A 62 10.352 -0.552 -8.225 1.00 0.00 C ATOM 1004 CG LEU A 62 11.836 -1.035 -8.112 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.604 -0.793 -9.431 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.551 -0.367 -6.908 1.00 0.00 C ATOM 0 H LEU A 62 9.661 -2.628 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 62 9.902 -0.445 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.909 -1.009 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.353 0.526 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 62 11.825 -2.110 -7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.632 -1.139 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.121 -1.341 -10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.602 0.272 -9.663 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.580 -0.721 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.546 0.715 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.030 -0.625 -5.986 1.00 0.00 H new ATOM 1018 N LYS A 63 6.985 -0.916 -6.827 1.00 0.00 N ATOM 1019 CA LYS A 63 5.592 -0.448 -6.907 1.00 0.00 C ATOM 1020 C LYS A 63 5.298 0.599 -5.824 1.00 0.00 C ATOM 1021 O LYS A 63 4.530 1.538 -6.052 1.00 0.00 O ATOM 1022 CB LYS A 63 4.628 -1.656 -6.771 1.00 0.00 C ATOM 1023 CG LYS A 63 4.862 -2.759 -7.818 1.00 0.00 C ATOM 1024 CD LYS A 63 3.824 -3.897 -7.769 1.00 0.00 C ATOM 1025 CE LYS A 63 4.098 -4.957 -8.845 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.105 -6.054 -8.829 1.00 0.00 N ATOM 0 H LYS A 63 7.065 -1.884 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 63 5.439 0.026 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.736 -2.085 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.601 -1.300 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.849 -2.311 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.856 -3.181 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.841 -4.364 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.825 -3.485 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.094 -4.483 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.095 -5.372 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.285 -6.697 -9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.183 -6.580 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.148 -5.657 -8.914 1.00 0.00 H new ATOM 1040 N VAL A 64 5.919 0.411 -4.647 1.00 0.00 N ATOM 1041 CA VAL A 64 5.802 1.338 -3.504 1.00 0.00 C ATOM 1042 C VAL A 64 7.197 1.694 -2.975 1.00 0.00 C ATOM 1043 O VAL A 64 8.169 0.967 -3.215 1.00 0.00 O ATOM 1044 CB VAL A 64 4.931 0.747 -2.324 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.477 0.503 -2.767 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.562 -0.540 -1.744 1.00 0.00 C ATOM 0 H VAL A 64 6.520 -0.392 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 64 5.294 2.230 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 64 4.914 1.492 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.906 0.097 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.031 1.445 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.463 -0.205 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.937 -0.919 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.637 -1.294 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.557 -0.316 -1.359 1.00 0.00 H new ATOM 1056 N SER A 65 7.272 2.823 -2.268 1.00 0.00 N ATOM 1057 CA SER A 65 8.467 3.271 -1.546 1.00 0.00 C ATOM 1058 C SER A 65 8.039 3.703 -0.141 1.00 0.00 C ATOM 1059 O SER A 65 6.885 4.107 0.058 1.00 0.00 O ATOM 1060 CB SER A 65 9.132 4.444 -2.306 1.00 0.00 C ATOM 1061 OG SER A 65 9.446 4.076 -3.644 1.00 0.00 O ATOM 0 H SER A 65 6.486 3.467 -2.179 1.00 0.00 H new ATOM 0 HA SER A 65 9.197 2.465 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.463 5.304 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.041 4.749 -1.787 1.00 0.00 H new ATOM 0 HG SER A 65 9.863 4.835 -4.103 1.00 0.00 H new ATOM 1067 N LEU A 66 8.950 3.614 0.834 1.00 0.00 N ATOM 1068 CA LEU A 66 8.665 4.015 2.215 1.00 0.00 C ATOM 1069 C LEU A 66 9.211 5.436 2.416 1.00 0.00 C ATOM 1070 O LEU A 66 10.423 5.644 2.353 1.00 0.00 O ATOM 1071 CB LEU A 66 9.327 3.027 3.222 1.00 0.00 C ATOM 1072 CG LEU A 66 8.910 3.232 4.710 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.453 2.774 4.949 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.905 2.560 5.690 1.00 0.00 C ATOM 0 H LEU A 66 9.898 3.265 0.690 1.00 0.00 H new ATOM 0 HA LEU A 66 7.590 3.995 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.077 2.008 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.410 3.125 3.146 1.00 0.00 H new ATOM 0 HG LEU A 66 8.951 4.301 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.190 2.929 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.781 3.354 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.359 1.716 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.575 2.728 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.943 1.489 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.897 2.990 5.553 1.00 0.00 H new ATOM 1086 N THR A 67 8.320 6.414 2.613 1.00 0.00 N ATOM 1087 CA THR A 67 8.702 7.828 2.798 1.00 0.00 C ATOM 1088 C THR A 67 8.991 8.147 4.276 1.00 0.00 C ATOM 1089 O THR A 67 9.916 8.907 4.591 1.00 0.00 O ATOM 1090 CB THR A 67 7.583 8.770 2.250 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.299 8.323 2.726 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.572 8.809 0.713 1.00 0.00 C ATOM 0 H THR A 67 7.313 6.253 2.650 1.00 0.00 H new ATOM 0 HA THR A 67 9.619 8.000 2.234 1.00 0.00 H new ATOM 0 HB THR A 67 7.790 9.777 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.880 9.034 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.780 9.475 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.533 9.174 0.351 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.395 7.806 0.325 1.00 0.00 H new ATOM 1100 N SER A 68 8.201 7.545 5.165 1.00 0.00 N ATOM 1101 CA SER A 68 8.261 7.765 6.614 1.00 0.00 C ATOM 1102 C SER A 68 8.047 6.385 7.294 1.00 0.00 C ATOM 1103 O SER A 68 7.462 5.523 6.641 1.00 0.00 O ATOM 1104 CB SER A 68 7.165 8.795 6.989 1.00 0.00 C ATOM 1105 OG SER A 68 7.323 9.299 8.302 1.00 0.00 O ATOM 0 H SER A 68 7.483 6.874 4.893 1.00 0.00 H new ATOM 0 HA SER A 68 9.217 8.169 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.190 9.622 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.185 8.327 6.898 1.00 0.00 H new ATOM 0 HG SER A 68 6.611 9.945 8.492 1.00 0.00 H new ATOM 1111 N PRO A 69 8.539 6.140 8.572 1.00 0.00 N ATOM 1112 CA PRO A 69 8.447 4.827 9.295 1.00 0.00 C ATOM 1113 C PRO A 69 7.274 3.894 8.890 1.00 0.00 C ATOM 1114 O PRO A 69 7.515 2.843 8.290 1.00 0.00 O ATOM 1115 CB PRO A 69 8.342 5.298 10.758 1.00 0.00 C ATOM 1116 CG PRO A 69 9.292 6.463 10.823 1.00 0.00 C ATOM 1117 CD PRO A 69 9.283 7.111 9.434 1.00 0.00 C ATOM 0 HA PRO A 69 9.295 4.183 9.064 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.325 5.596 11.011 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.626 4.509 11.455 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.979 7.176 11.586 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.295 6.131 11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.791 8.083 9.453 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.296 7.274 9.065 1.00 0.00 H new ATOM 1125 N ALA A 70 6.014 4.274 9.205 1.00 0.00 N ATOM 1126 CA ALA A 70 4.811 3.510 8.799 1.00 0.00 C ATOM 1127 C ALA A 70 3.938 4.333 7.824 1.00 0.00 C ATOM 1128 O ALA A 70 2.708 4.333 7.909 1.00 0.00 O ATOM 1129 CB ALA A 70 4.019 3.082 10.058 1.00 0.00 C ATOM 0 H ALA A 70 5.803 5.114 9.744 1.00 0.00 H new ATOM 0 HA ALA A 70 5.120 2.610 8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.134 2.520 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.650 2.456 10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.714 3.968 10.615 1.00 0.00 H new ATOM 1135 N THR A 71 4.592 5.026 6.883 1.00 0.00 N ATOM 1136 CA THR A 71 3.920 5.774 5.804 1.00 0.00 C ATOM 1137 C THR A 71 4.541 5.376 4.461 1.00 0.00 C ATOM 1138 O THR A 71 5.760 5.505 4.259 1.00 0.00 O ATOM 1139 CB THR A 71 4.030 7.327 5.972 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.608 7.713 7.283 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.182 8.089 4.928 1.00 0.00 C ATOM 0 H THR A 71 5.610 5.086 6.846 1.00 0.00 H new ATOM 0 HA THR A 71 2.861 5.518 5.847 1.00 0.00 H new ATOM 0 HB THR A 71 5.077 7.589 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.683 8.686 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.290 9.162 5.085 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.523 7.832 3.925 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.134 7.810 5.037 1.00 0.00 H new ATOM 1149 N TRP A 72 3.682 4.949 3.541 1.00 0.00 N ATOM 1150 CA TRP A 72 4.082 4.437 2.227 1.00 0.00 C ATOM 1151 C TRP A 72 3.709 5.458 1.155 1.00 0.00 C ATOM 1152 O TRP A 72 2.926 6.366 1.410 1.00 0.00 O ATOM 1153 CB TRP A 72 3.387 3.076 1.966 1.00 0.00 C ATOM 1154 CG TRP A 72 3.827 1.999 2.935 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.341 1.749 4.194 1.00 0.00 C ATOM 1156 CD2 TRP A 72 4.864 1.043 2.712 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.020 0.696 4.753 1.00 0.00 N ATOM 1158 CE2 TRP A 72 4.955 0.244 3.859 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.719 0.788 1.640 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 5.867 -0.793 3.966 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.628 -0.240 1.747 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.693 -1.021 2.902 1.00 0.00 C ATOM 0 H TRP A 72 2.672 4.947 3.686 1.00 0.00 H new ATOM 0 HA TRP A 72 5.160 4.280 2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.307 3.205 2.038 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.602 2.752 0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.544 2.299 4.673 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.855 0.312 5.683 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.669 1.386 0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.923 -1.399 4.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.300 -0.445 0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.413 -1.824 2.956 1.00 0.00 H new ATOM 1173 N CYS A 73 4.285 5.311 -0.027 1.00 0.00 N ATOM 1174 CA CYS A 73 3.992 6.167 -1.179 1.00 0.00 C ATOM 1175 C CYS A 73 4.092 5.339 -2.448 1.00 0.00 C ATOM 1176 O CYS A 73 4.626 4.225 -2.432 1.00 0.00 O ATOM 1177 CB CYS A 73 4.958 7.375 -1.235 1.00 0.00 C ATOM 1178 SG CYS A 73 4.620 8.544 -2.573 1.00 0.00 S ATOM 0 H CYS A 73 4.978 4.588 -0.222 1.00 0.00 H new ATOM 0 HA CYS A 73 2.981 6.563 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.910 7.906 -0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.977 7.004 -1.342 1.00 0.00 H new ATOM 0 HG CYS A 73 4.954 8.010 -3.710 1.00 0.00 H new ATOM 1184 N LEU A 74 3.539 5.876 -3.537 1.00 0.00 N ATOM 1185 CA LEU A 74 3.647 5.272 -4.863 1.00 0.00 C ATOM 1186 C LEU A 74 5.108 5.374 -5.325 1.00 0.00 C ATOM 1187 O LEU A 74 5.737 6.423 -5.120 1.00 0.00 O ATOM 1188 CB LEU A 74 2.688 5.999 -5.841 1.00 0.00 C ATOM 1189 CG LEU A 74 2.549 5.397 -7.268 1.00 0.00 C ATOM 1190 CD1 LEU A 74 2.089 3.918 -7.233 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.600 6.271 -8.120 1.00 0.00 C ATOM 0 H LEU A 74 3.003 6.744 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 74 3.360 4.221 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.698 6.027 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.023 7.032 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 74 3.534 5.400 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.005 3.539 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.818 3.323 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.119 3.850 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.508 5.842 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.618 6.307 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.004 7.281 -8.195 1.00 0.00 H new ATOM 1203 N GLY A 75 5.641 4.267 -5.887 1.00 0.00 N ATOM 1204 CA GLY A 75 7.016 4.201 -6.393 1.00 0.00 C ATOM 1205 C GLY A 75 7.198 5.061 -7.633 1.00 0.00 C ATOM 1206 O GLY A 75 7.259 4.546 -8.757 1.00 0.00 O ATOM 0 H GLY A 75 5.123 3.396 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.706 4.531 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.269 3.167 -6.626 1.00 0.00 H new ATOM 1210 N GLY A 76 7.270 6.386 -7.409 1.00 0.00 N ATOM 1211 CA GLY A 76 7.256 7.378 -8.474 1.00 0.00 C ATOM 1212 C GLY A 76 5.862 7.533 -9.062 1.00 0.00 C ATOM 1213 O GLY A 76 5.105 8.432 -8.668 1.00 0.00 O ATOM 0 H GLY A 76 7.340 6.790 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.599 8.337 -8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.954 7.084 -9.258 1.00 0.00 H new ATOM 1217 N THR A 77 5.532 6.624 -9.981 1.00 0.00 N ATOM 1218 CA THR A 77 4.227 6.531 -10.633 1.00 0.00 C ATOM 1219 C THR A 77 4.105 5.121 -11.261 1.00 0.00 C ATOM 1220 O THR A 77 4.804 4.195 -10.818 1.00 0.00 O ATOM 1221 CB THR A 77 4.039 7.691 -11.691 1.00 0.00 C ATOM 1222 OG1 THR A 77 2.696 7.693 -12.203 1.00 0.00 O ATOM 1223 CG2 THR A 77 5.037 7.620 -12.871 1.00 0.00 C ATOM 0 H THR A 77 6.187 5.911 -10.301 1.00 0.00 H new ATOM 0 HA THR A 77 3.424 6.662 -9.907 1.00 0.00 H new ATOM 0 HB THR A 77 4.242 8.618 -11.155 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.596 8.418 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.849 8.446 -13.557 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.056 7.689 -12.490 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.910 6.675 -13.399 1.00 0.00 H new ATOM 1231 N ASP A 78 3.188 4.940 -12.235 1.00 0.00 N ATOM 1232 CA ASP A 78 3.169 3.736 -13.085 1.00 0.00 C ATOM 1233 C ASP A 78 4.492 3.657 -13.876 1.00 0.00 C ATOM 1234 O ASP A 78 4.870 4.642 -14.513 1.00 0.00 O ATOM 1235 CB ASP A 78 1.969 3.757 -14.069 1.00 0.00 C ATOM 1236 CG ASP A 78 0.622 3.538 -13.375 1.00 0.00 C ATOM 1237 OD1 ASP A 78 0.287 2.367 -13.079 1.00 0.00 O ATOM 1238 OD2 ASP A 78 -0.117 4.516 -13.118 1.00 0.00 O ATOM 0 H ASP A 78 2.453 5.613 -12.450 1.00 0.00 H new ATOM 0 HA ASP A 78 3.060 2.861 -12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.951 4.714 -14.591 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.112 2.984 -14.824 1.00 0.00 H new ATOM 1243 N PRO A 79 5.251 2.514 -13.809 1.00 0.00 N ATOM 1244 CA PRO A 79 6.517 2.357 -14.564 1.00 0.00 C ATOM 1245 C PRO A 79 6.263 2.366 -16.090 1.00 0.00 C ATOM 1246 O PRO A 79 5.834 1.364 -16.667 1.00 0.00 O ATOM 1247 CB PRO A 79 7.083 1.000 -14.053 1.00 0.00 C ATOM 1248 CG PRO A 79 5.890 0.259 -13.534 1.00 0.00 C ATOM 1249 CD PRO A 79 4.955 1.311 -12.982 1.00 0.00 C ATOM 0 HA PRO A 79 7.221 3.174 -14.404 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.573 0.448 -14.855 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.826 1.151 -13.270 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.409 -0.312 -14.328 1.00 0.00 H new ATOM 0 HG3 PRO A 79 6.178 -0.452 -12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.912 1.008 -13.074 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.141 1.497 -11.924 1.00 0.00 H new ATOM 1257 N GLU A 80 6.483 3.537 -16.715 1.00 0.00 N ATOM 1258 CA GLU A 80 6.281 3.737 -18.160 1.00 0.00 C ATOM 1259 C GLU A 80 7.486 3.142 -18.938 1.00 0.00 C ATOM 1260 O GLU A 80 8.568 3.766 -18.962 1.00 0.00 O ATOM 1261 CB GLU A 80 6.085 5.250 -18.458 1.00 0.00 C ATOM 1262 CG GLU A 80 5.767 5.587 -19.928 1.00 0.00 C ATOM 1263 CD GLU A 80 5.744 7.099 -20.195 1.00 0.00 C ATOM 1264 OE1 GLU A 80 6.815 7.676 -20.481 1.00 0.00 O ATOM 1265 OE2 GLU A 80 4.664 7.717 -20.089 1.00 0.00 O ATOM 1266 OXT GLU A 80 7.357 2.021 -19.474 1.00 0.00 O ATOM 0 H GLU A 80 6.807 4.373 -16.229 1.00 0.00 H new ATOM 0 HA GLU A 80 5.381 3.218 -18.490 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.277 5.627 -17.831 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.990 5.783 -18.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.510 5.119 -20.573 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.800 5.160 -20.194 1.00 0.00 H new TER 1273 GLU A 80