USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 476 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 47 HIS : no HD1:sc= -0.104 X(o=0.2,f=0.19) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.306 K(o=0.2,f=-1.2) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0 X(o=0,f=-0.22) USER MOD Set 2.2: A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -1.15 K(o=-5.6,f=-7.4) USER MOD Set 3.2: A 55 HIS :FLIP no HE2:sc= -4.5! C(o=-6.5!,f=-5.6!) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00202) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.69 K(o=-1.7,f=-7.3!) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.605) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -4.1! C(o=-4.1!,f=-7.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0731 USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.429) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -167:sc= -2.05 (180deg=-2.64!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -129:sc= 0.942 (180deg=-1.66) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.18 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 2.098 2.616 -0.563 1.00 1.00 N ATOM 12 CA ASP A 2 1.583 3.658 -1.434 1.00 1.00 C ATOM 13 C ASP A 2 0.054 3.650 -1.383 1.00 1.00 C ATOM 14 O ASP A 2 -0.562 4.633 -0.975 1.00 1.00 O ATOM 15 CB ASP A 2 2.009 3.424 -2.885 1.00 1.00 C ATOM 16 CG ASP A 2 1.028 3.944 -3.938 1.00 1.00 C ATOM 17 OD1 ASP A 2 -0.147 3.550 -3.968 1.00 1.00 O ATOM 18 OD2 ASP A 2 1.522 4.801 -4.767 1.00 1.00 O ATOM 0 HA ASP A 2 1.982 4.612 -1.090 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.977 3.900 -3.045 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.150 2.354 -3.039 1.00 1.00 H new ATOM 24 N ASP A 3 -0.515 2.529 -1.802 1.00 1.00 N ATOM 25 CA ASP A 3 -1.960 2.380 -1.809 1.00 1.00 C ATOM 26 C ASP A 3 -2.396 1.624 -0.553 1.00 1.00 C ATOM 27 O ASP A 3 -1.780 0.627 -0.178 1.00 1.00 O ATOM 28 CB ASP A 3 -2.426 1.581 -3.027 1.00 1.00 C ATOM 29 CG ASP A 3 -3.890 1.789 -3.418 1.00 1.00 C ATOM 30 OD1 ASP A 3 -4.266 2.844 -3.949 1.00 1.00 O ATOM 31 OD2 ASP A 3 -4.672 0.798 -3.150 1.00 1.00 O ATOM 0 H ASP A 3 -0.001 1.715 -2.139 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.401 3.376 -1.841 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -1.798 1.845 -3.878 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.266 0.521 -2.830 1.00 1.00 H new ATOM 37 N ILE A 4 -3.455 2.128 0.065 1.00 1.00 N ATOM 38 CA ILE A 4 -3.982 1.512 1.271 1.00 1.00 C ATOM 39 C ILE A 4 -5.478 1.249 1.093 1.00 1.00 C ATOM 40 O ILE A 4 -6.270 2.186 1.000 1.00 1.00 O ATOM 41 CB ILE A 4 -3.648 2.366 2.496 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.167 2.750 2.510 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.069 1.660 3.787 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.678 2.996 3.939 1.00 1.00 C ATOM 0 H ILE A 4 -3.962 2.956 -0.247 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.508 0.546 1.445 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.220 3.292 2.433 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.577 1.956 2.052 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -2.015 3.647 1.910 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.821 2.288 4.643 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.144 1.480 3.769 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.543 0.709 3.870 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.622 3.267 3.921 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.253 3.807 4.386 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.809 2.089 4.530 1.00 1.00 H new ATOM 51 N VAL A 5 -5.820 -0.030 1.052 1.00 1.00 N ATOM 52 CA VAL A 5 -7.208 -0.429 0.887 1.00 1.00 C ATOM 53 C VAL A 5 -7.844 -0.629 2.263 1.00 1.00 C ATOM 54 O VAL A 5 -7.407 -1.483 3.035 1.00 1.00 O ATOM 55 CB VAL A 5 -7.293 -1.673 0.002 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.714 -2.242 -0.010 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.813 -1.370 -1.419 1.00 1.00 C ATOM 0 H VAL A 5 -5.160 -0.804 1.130 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.772 0.353 0.379 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.632 -2.430 0.425 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.747 -3.126 -0.647 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -9.005 -2.515 1.004 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.403 -1.491 -0.396 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.884 -2.272 -2.027 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.436 -0.589 -1.855 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.777 -1.033 -1.389 1.00 1.00 H new ATOM 63 N LEU A 6 -8.864 0.173 2.532 1.00 1.00 N ATOM 64 CA LEU A 6 -9.564 0.094 3.803 1.00 1.00 C ATOM 65 C LEU A 6 -10.770 -0.837 3.659 1.00 1.00 C ATOM 66 O LEU A 6 -11.902 -0.375 3.521 1.00 1.00 O ATOM 67 CB LEU A 6 -9.924 1.494 4.305 1.00 1.00 C ATOM 68 CG LEU A 6 -8.748 2.444 4.540 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.177 3.901 4.360 1.00 1.00 C ATOM 70 CD2 LEU A 6 -8.111 2.199 5.910 1.00 1.00 C ATOM 0 H LEU A 6 -9.223 0.881 1.891 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.918 -0.337 4.568 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.599 1.955 3.584 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.476 1.393 5.239 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.986 2.237 3.789 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.323 4.556 4.533 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.548 4.048 3.346 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.966 4.139 5.073 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.278 2.887 6.052 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.854 2.362 6.691 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.747 1.173 5.964 1.00 1.00 H new ATOM 78 N LYS A 7 -10.487 -2.130 3.696 1.00 1.00 N ATOM 79 CA LYS A 7 -11.535 -3.130 3.571 1.00 1.00 C ATOM 80 C LYS A 7 -12.808 -2.614 4.245 1.00 1.00 C ATOM 81 O LYS A 7 -12.801 -2.301 5.435 1.00 1.00 O ATOM 82 CB LYS A 7 -11.055 -4.479 4.111 1.00 1.00 C ATOM 83 CG LYS A 7 -10.138 -5.177 3.105 1.00 1.00 C ATOM 84 CD LYS A 7 -10.363 -6.692 3.119 1.00 1.00 C ATOM 85 CE LYS A 7 -9.912 -7.324 1.801 1.00 1.00 C ATOM 86 NZ LYS A 7 -8.443 -7.225 1.654 1.00 1.00 N ATOM 0 H LYS A 7 -9.547 -2.509 3.811 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.777 -3.301 2.522 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.523 -4.330 5.051 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.914 -5.114 4.328 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.325 -4.787 2.105 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.097 -4.958 3.343 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -9.812 -7.138 3.948 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.419 -6.905 3.286 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.217 -8.370 1.770 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.401 -6.824 0.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -8.152 -7.674 0.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -8.162 -6.224 1.646 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -7.981 -7.708 2.451 1.00 1.00 H new ATOM 99 N ALA A 8 -13.870 -2.542 3.456 1.00 1.00 N ATOM 100 CA ALA A 8 -15.148 -2.070 3.962 1.00 1.00 C ATOM 101 C ALA A 8 -16.243 -3.064 3.573 1.00 1.00 C ATOM 102 O ALA A 8 -16.262 -3.565 2.450 1.00 1.00 O ATOM 103 CB ALA A 8 -15.420 -0.663 3.428 1.00 1.00 C ATOM 0 H ALA A 8 -13.872 -2.803 2.470 1.00 1.00 H new ATOM 0 HA ALA A 8 -15.131 -2.007 5.050 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.379 -0.309 3.807 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.628 0.010 3.757 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.447 -0.686 2.339 1.00 1.00 H new ATOM 109 N LYS A 9 -17.130 -3.320 4.524 1.00 1.00 N ATOM 110 CA LYS A 9 -18.227 -4.246 4.295 1.00 1.00 C ATOM 111 C LYS A 9 -19.247 -3.597 3.358 1.00 1.00 C ATOM 112 O LYS A 9 -20.209 -4.242 2.940 1.00 1.00 O ATOM 113 CB LYS A 9 -18.822 -4.712 5.625 1.00 1.00 C ATOM 114 CG LYS A 9 -18.610 -6.215 5.824 1.00 1.00 C ATOM 115 CD LYS A 9 -18.553 -6.567 7.311 1.00 1.00 C ATOM 116 CE LYS A 9 -17.839 -7.903 7.530 1.00 1.00 C ATOM 117 NZ LYS A 9 -16.865 -7.794 8.640 1.00 1.00 N ATOM 0 H LYS A 9 -17.111 -2.902 5.454 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.868 -5.149 3.801 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.360 -4.164 6.446 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.888 -4.485 5.650 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -19.420 -6.767 5.347 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.684 -6.523 5.338 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -18.033 -5.779 7.856 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.564 -6.620 7.715 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -18.570 -8.680 7.754 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.326 -8.202 6.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -16.389 -8.709 8.776 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -16.158 -7.067 8.411 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.363 -7.530 9.514 1.00 1.00 H new ATOM 130 N ASN A 10 -19.004 -2.331 3.055 1.00 1.00 N ATOM 131 CA ASN A 10 -19.892 -1.588 2.176 1.00 1.00 C ATOM 132 C ASN A 10 -19.059 -0.850 1.125 1.00 1.00 C ATOM 133 O ASN A 10 -19.153 0.370 0.999 1.00 1.00 O ATOM 134 CB ASN A 10 -20.698 -0.548 2.956 1.00 1.00 C ATOM 135 CG ASN A 10 -21.636 -1.222 3.960 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.520 -2.398 4.264 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.568 -0.414 4.457 1.00 1.00 N ATOM 0 H ASN A 10 -18.205 -1.800 3.402 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.576 -2.297 1.710 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -20.019 0.124 3.481 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -21.278 0.062 2.264 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.242 -0.769 5.136 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -22.609 0.561 4.160 1.00 1.00 H new ATOM 143 N GLY A 11 -18.264 -1.621 0.398 1.00 1.00 N ATOM 144 CA GLY A 11 -17.416 -1.054 -0.638 1.00 1.00 C ATOM 145 C GLY A 11 -16.052 -0.655 -0.071 1.00 1.00 C ATOM 146 O GLY A 11 -15.974 -0.005 0.970 1.00 1.00 O ATOM 0 H GLY A 11 -18.189 -2.633 0.505 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.282 -1.779 -1.441 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.902 -0.181 -1.074 1.00 1.00 H new ATOM 150 N ASP A 12 -15.010 -1.060 -0.783 1.00 1.00 N ATOM 151 CA ASP A 12 -13.652 -0.752 -0.364 1.00 1.00 C ATOM 152 C ASP A 12 -13.360 0.723 -0.643 1.00 1.00 C ATOM 153 O ASP A 12 -14.106 1.382 -1.366 1.00 1.00 O ATOM 154 CB ASP A 12 -12.634 -1.591 -1.139 1.00 1.00 C ATOM 155 CG ASP A 12 -12.336 -1.100 -2.556 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.094 -1.371 -3.499 1.00 1.00 O ATOM 157 OD2 ASP A 12 -11.257 -0.402 -2.676 1.00 1.00 O ATOM 0 H ASP A 12 -15.078 -1.598 -1.647 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.568 -0.974 0.700 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -11.701 -1.615 -0.575 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -12.999 -2.617 -1.195 1.00 1.00 H new ATOM 163 N VAL A 13 -12.271 1.199 -0.056 1.00 1.00 N ATOM 164 CA VAL A 13 -11.870 2.584 -0.233 1.00 1.00 C ATOM 165 C VAL A 13 -10.445 2.632 -0.787 1.00 1.00 C ATOM 166 O VAL A 13 -9.495 2.258 -0.101 1.00 1.00 O ATOM 167 CB VAL A 13 -12.025 3.346 1.085 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.557 4.796 0.939 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.468 3.284 1.589 1.00 1.00 C ATOM 0 H VAL A 13 -11.654 0.650 0.543 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.517 3.079 -0.958 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.390 2.862 1.827 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.678 5.315 1.890 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.507 4.812 0.648 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.153 5.295 0.175 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.550 3.833 2.527 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.132 3.730 0.848 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.752 2.244 1.752 1.00 1.00 H new ATOM 175 N LYS A 14 -10.341 3.094 -2.025 1.00 1.00 N ATOM 176 CA LYS A 14 -9.047 3.194 -2.680 1.00 1.00 C ATOM 177 C LYS A 14 -8.349 4.477 -2.224 1.00 1.00 C ATOM 178 O LYS A 14 -8.402 5.495 -2.911 1.00 1.00 O ATOM 179 CB LYS A 14 -9.205 3.086 -4.197 1.00 1.00 C ATOM 180 CG LYS A 14 -7.841 3.005 -4.886 1.00 1.00 C ATOM 181 CD LYS A 14 -7.056 1.783 -4.405 1.00 1.00 C ATOM 182 CE LYS A 14 -6.298 1.128 -5.561 1.00 1.00 C ATOM 183 NZ LYS A 14 -5.401 2.109 -6.214 1.00 1.00 N ATOM 0 H LYS A 14 -11.131 3.403 -2.591 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.407 2.361 -2.390 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.794 2.202 -4.443 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.755 3.950 -4.571 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -7.978 2.952 -5.966 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.271 3.911 -4.681 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.353 2.081 -3.627 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.739 1.061 -3.958 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -5.716 0.284 -5.190 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.005 0.732 -6.290 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -4.655 1.605 -6.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -5.950 2.694 -6.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -4.967 2.718 -5.491 1.00 1.00 H new ATOM 196 N PHE A 15 -7.710 4.385 -1.067 1.00 1.00 N ATOM 197 CA PHE A 15 -7.001 5.526 -0.511 1.00 1.00 C ATOM 198 C PHE A 15 -5.514 5.475 -0.868 1.00 1.00 C ATOM 199 O PHE A 15 -4.763 4.614 -0.414 1.00 1.00 O ATOM 200 CB PHE A 15 -7.151 5.448 1.009 1.00 1.00 C ATOM 201 CG PHE A 15 -6.683 6.705 1.746 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.925 7.934 1.215 1.00 1.00 C ATOM 203 CD2 PHE A 15 -6.024 6.593 2.930 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.490 9.100 1.900 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.589 7.759 3.614 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.832 8.989 3.084 1.00 1.00 C ATOM 0 H PHE A 15 -7.668 3.539 -0.499 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.412 6.452 -0.914 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.198 5.266 1.252 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.585 4.592 1.376 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.447 8.023 0.274 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.831 5.617 3.350 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.682 10.076 1.479 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -5.066 7.670 4.554 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.502 9.876 3.604 1.00 1.00 H new ATOM 216 N PRO A 16 -5.101 6.430 -1.705 1.00 1.00 N ATOM 217 CA PRO A 16 -3.739 6.571 -2.173 1.00 1.00 C ATOM 218 C PRO A 16 -2.931 7.371 -1.160 1.00 1.00 C ATOM 219 O PRO A 16 -2.860 8.592 -1.280 1.00 1.00 O ATOM 220 CB PRO A 16 -3.856 7.324 -3.496 1.00 1.00 C ATOM 221 CG PRO A 16 -5.086 8.190 -3.276 1.00 1.00 C ATOM 222 CD PRO A 16 -5.957 7.457 -2.259 1.00 1.00 C ATOM 0 HA PRO A 16 -3.233 5.614 -2.300 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.969 7.924 -3.701 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.984 6.645 -4.339 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.805 9.176 -2.906 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.626 8.342 -4.211 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.313 8.135 -1.483 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.838 7.024 -2.733 1.00 1.00 H new ATOM 230 N HIS A 17 -2.342 6.677 -0.185 1.00 1.00 N ATOM 231 CA HIS A 17 -1.537 7.306 0.857 1.00 1.00 C ATOM 232 C HIS A 17 -0.370 8.079 0.218 1.00 1.00 C ATOM 233 O HIS A 17 -0.289 9.299 0.350 1.00 1.00 O ATOM 234 CB HIS A 17 -1.108 6.232 1.868 1.00 1.00 C ATOM 235 CG HIS A 17 -0.415 6.716 3.120 1.00 1.00 C ATOM 236 ND1 HIS A 17 0.913 6.693 3.262 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.916 7.239 4.288 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.229 7.182 4.472 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.136 7.535 5.147 1.00 1.00 N ATOM 0 H HIS A 17 -2.411 5.663 -0.098 1.00 1.00 H new ATOM 0 HA HIS A 17 -2.111 8.047 1.413 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.994 5.671 2.165 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.444 5.533 1.360 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.578 6.359 2.565 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.962 7.395 4.504 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.237 7.277 4.849 1.00 1.00 H new ATOM 247 N LYS A 18 0.499 7.338 -0.455 1.00 1.00 N ATOM 248 CA LYS A 18 1.649 7.942 -1.108 1.00 1.00 C ATOM 249 C LYS A 18 1.236 9.280 -1.724 1.00 1.00 C ATOM 250 O LYS A 18 1.997 10.246 -1.686 1.00 1.00 O ATOM 251 CB LYS A 18 2.266 6.967 -2.113 1.00 1.00 C ATOM 252 CG LYS A 18 2.817 7.710 -3.332 1.00 1.00 C ATOM 253 CD LYS A 18 3.974 6.939 -3.969 1.00 1.00 C ATOM 254 CE LYS A 18 4.662 7.776 -5.049 1.00 1.00 C ATOM 255 NZ LYS A 18 5.545 6.926 -5.878 1.00 1.00 N ATOM 0 H LYS A 18 0.430 6.326 -0.562 1.00 1.00 H new ATOM 0 HA LYS A 18 2.433 8.154 -0.381 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.067 6.404 -1.634 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.515 6.245 -2.432 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.023 7.852 -4.065 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.157 8.702 -3.034 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.698 6.663 -3.202 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.602 6.012 -4.405 1.00 1.00 H new ATOM 0 HE2 LYS A 18 3.912 8.255 -5.679 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.244 8.572 -4.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.004 7.509 -6.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 6.271 6.489 -5.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.981 6.182 -6.336 1.00 1.00 H new ATOM 268 N ALA A 19 0.031 9.294 -2.277 1.00 1.00 N ATOM 269 CA ALA A 19 -0.491 10.498 -2.900 1.00 1.00 C ATOM 270 C ALA A 19 -0.705 11.570 -1.829 1.00 1.00 C ATOM 271 O ALA A 19 -0.417 12.745 -2.046 1.00 1.00 O ATOM 272 CB ALA A 19 -1.779 10.165 -3.656 1.00 1.00 C ATOM 0 H ALA A 19 -0.598 8.491 -2.306 1.00 1.00 H new ATOM 0 HA ALA A 19 0.220 10.893 -3.625 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.171 11.069 -4.123 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.568 9.421 -4.424 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.517 9.768 -2.960 1.00 1.00 H new ATOM 278 N HIS A 20 -1.213 11.124 -0.680 1.00 1.00 N ATOM 279 CA HIS A 20 -1.485 11.997 0.457 1.00 1.00 C ATOM 280 C HIS A 20 -0.175 12.302 1.205 1.00 1.00 C ATOM 281 O HIS A 20 -0.193 12.974 2.236 1.00 1.00 O ATOM 282 CB HIS A 20 -2.575 11.355 1.328 1.00 1.00 C ATOM 283 CG HIS A 20 -4.007 11.571 0.893 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.536 10.961 -0.171 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.005 12.354 1.421 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.814 11.349 -0.303 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.156 12.210 0.655 1.00 1.00 N ATOM 0 H HIS A 20 -1.447 10.145 -0.513 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.872 12.963 0.134 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.390 10.282 1.368 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.467 11.735 2.344 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.048 10.307 -0.783 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.910 12.983 2.294 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.478 11.008 -1.083 1.00 1.00 H new ATOM 295 N GLN A 21 0.921 11.797 0.658 1.00 1.00 N ATOM 296 CA GLN A 21 2.225 12.011 1.262 1.00 1.00 C ATOM 297 C GLN A 21 2.949 13.167 0.568 1.00 1.00 C ATOM 298 O GLN A 21 4.127 13.409 0.825 1.00 1.00 O ATOM 299 CB GLN A 21 3.066 10.733 1.216 1.00 1.00 C ATOM 300 CG GLN A 21 3.872 10.560 2.506 1.00 1.00 C ATOM 301 CD GLN A 21 4.618 11.847 2.862 1.00 1.00 C ATOM 302 OE1 GLN A 21 4.034 12.852 3.237 1.00 1.00 O ATOM 303 NE2 GLN A 21 5.938 11.764 2.724 1.00 1.00 N ATOM 0 H GLN A 21 0.933 11.240 -0.197 1.00 1.00 H new ATOM 0 HA GLN A 21 2.079 12.275 2.309 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.416 9.870 1.071 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.743 10.769 0.362 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.204 10.285 3.322 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.584 9.743 2.388 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.364 10.893 2.406 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.525 12.571 2.936 1.00 1.00 H new ATOM 311 N LYS A 22 2.214 13.848 -0.298 1.00 1.00 N ATOM 312 CA LYS A 22 2.770 14.973 -1.030 1.00 1.00 C ATOM 313 C LYS A 22 1.669 16.003 -1.289 1.00 1.00 C ATOM 314 O LYS A 22 1.809 16.862 -2.158 1.00 1.00 O ATOM 315 CB LYS A 22 3.471 14.491 -2.302 1.00 1.00 C ATOM 316 CG LYS A 22 4.992 14.517 -2.133 1.00 1.00 C ATOM 317 CD LYS A 22 5.696 14.381 -3.485 1.00 1.00 C ATOM 318 CE LYS A 22 6.105 15.751 -4.030 1.00 1.00 C ATOM 319 NZ LYS A 22 5.808 15.842 -5.477 1.00 1.00 N ATOM 0 H LYS A 22 1.238 13.642 -0.509 1.00 1.00 H new ATOM 0 HA LYS A 22 3.539 15.469 -0.438 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.145 13.478 -2.540 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.184 15.124 -3.142 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.293 15.449 -1.655 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.302 13.706 -1.474 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.578 13.750 -3.378 1.00 1.00 H new ATOM 0 HD3 LYS A 22 5.034 13.886 -4.196 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.573 16.536 -3.493 1.00 1.00 H new ATOM 0 HE3 LYS A 22 7.169 15.914 -3.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 6.091 16.778 -5.831 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 6.335 15.104 -5.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.788 15.708 -5.631 1.00 1.00 H new ATOM 332 N ALA A 23 0.598 15.883 -0.518 1.00 1.00 N ATOM 333 CA ALA A 23 -0.526 16.793 -0.652 1.00 1.00 C ATOM 334 C ALA A 23 -0.719 17.556 0.659 1.00 1.00 C ATOM 335 O ALA A 23 -1.628 18.377 0.777 1.00 1.00 O ATOM 336 CB ALA A 23 -1.775 16.007 -1.059 1.00 1.00 C ATOM 0 H ALA A 23 0.485 15.169 0.202 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.333 17.527 -1.435 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.618 16.690 -1.159 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.597 15.508 -2.012 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -2.001 15.262 -0.296 1.00 1.00 H new ATOM 391 N LYS A 28 1.672 15.142 9.146 1.00 1.00 N ATOM 392 CA LYS A 28 1.425 15.022 10.573 1.00 1.00 C ATOM 393 C LYS A 28 0.101 15.707 10.916 1.00 1.00 C ATOM 394 O LYS A 28 -0.254 15.826 12.087 1.00 1.00 O ATOM 395 CB LYS A 28 2.618 15.555 11.369 1.00 1.00 C ATOM 396 CG LYS A 28 3.939 15.072 10.768 1.00 1.00 C ATOM 397 CD LYS A 28 4.886 16.247 10.510 1.00 1.00 C ATOM 398 CE LYS A 28 6.298 15.931 11.005 1.00 1.00 C ATOM 399 NZ LYS A 28 7.271 16.897 10.445 1.00 1.00 N ATOM 0 HA LYS A 28 1.325 13.974 10.856 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.596 16.645 11.378 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.544 15.226 12.405 1.00 1.00 H new ATOM 0 HG2 LYS A 28 4.412 14.361 11.445 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.746 14.544 9.834 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.912 16.470 9.443 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.511 17.138 11.013 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.325 15.968 12.094 1.00 1.00 H new ATOM 0 HE3 LYS A 28 6.574 14.917 10.714 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 8.225 16.669 10.791 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 7.257 16.842 9.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 7.016 17.860 10.744 1.00 1.00 H new ATOM 412 N LYS A 29 -0.593 16.137 9.873 1.00 1.00 N ATOM 413 CA LYS A 29 -1.871 16.807 10.050 1.00 1.00 C ATOM 414 C LYS A 29 -2.897 15.804 10.583 1.00 1.00 C ATOM 415 O LYS A 29 -3.621 16.099 11.533 1.00 1.00 O ATOM 416 CB LYS A 29 -2.300 17.494 8.752 1.00 1.00 C ATOM 417 CG LYS A 29 -3.507 18.405 8.987 1.00 1.00 C ATOM 418 CD LYS A 29 -3.155 19.865 8.699 1.00 1.00 C ATOM 419 CE LYS A 29 -3.531 20.249 7.267 1.00 1.00 C ATOM 420 NZ LYS A 29 -3.695 21.715 7.148 1.00 1.00 N ATOM 0 H LYS A 29 -0.295 16.035 8.903 1.00 1.00 H new ATOM 0 HA LYS A 29 -1.786 17.602 10.791 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.470 18.079 8.354 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.548 16.742 8.003 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.333 18.093 8.347 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.847 18.306 10.018 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.677 20.514 9.402 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -2.087 20.022 8.853 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.759 19.907 6.578 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -4.457 19.749 6.982 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.950 21.957 6.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.448 22.033 7.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -2.802 22.186 7.400 1.00 1.00 H new ATOM 433 N CYS A 30 -2.926 14.641 9.950 1.00 1.00 N ATOM 434 CA CYS A 30 -3.852 13.594 10.350 1.00 1.00 C ATOM 435 C CYS A 30 -3.218 12.805 11.497 1.00 1.00 C ATOM 436 O CYS A 30 -3.884 12.468 12.473 1.00 1.00 O ATOM 437 CB CYS A 30 -4.224 12.690 9.173 1.00 1.00 C ATOM 438 SG CYS A 30 -4.034 13.603 7.597 1.00 1.00 S ATOM 0 H CYS A 30 -2.324 14.400 9.163 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.786 14.041 10.690 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.588 11.805 9.169 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -5.252 12.344 9.281 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.350 12.826 6.604 1.00 1.00 H new ATOM 443 N HIS A 31 -1.923 12.528 11.343 1.00 1.00 N ATOM 444 CA HIS A 31 -1.149 11.786 12.331 1.00 1.00 C ATOM 445 C HIS A 31 -0.837 12.692 13.536 1.00 1.00 C ATOM 446 O HIS A 31 -1.486 12.584 14.576 1.00 1.00 O ATOM 447 CB HIS A 31 0.092 11.194 11.647 1.00 1.00 C ATOM 448 CG HIS A 31 -0.150 10.128 10.604 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.817 9.000 10.869 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.211 10.058 9.280 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.870 8.256 9.753 1.00 1.00 C ATOM 452 NE2 HIS A 31 -0.250 8.862 8.742 1.00 1.00 N ATOM 0 H HIS A 31 -1.382 12.814 10.527 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.715 10.946 12.733 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.643 12.009 11.178 1.00 1.00 H new ATOM 0 HB3 HIS A 31 0.738 10.775 12.418 1.00 1.00 H new ATOM 0 HD2 HIS A 31 0.765 10.813 8.742 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -1.352 7.292 9.684 1.00 1.00 H new ATOM 0 HE2 HIS A 31 -0.138 8.524 7.786 1.00 1.00 H new ATOM 460 N GLU A 32 0.149 13.558 13.353 1.00 1.00 N ATOM 461 CA GLU A 32 0.545 14.474 14.410 1.00 1.00 C ATOM 462 C GLU A 32 1.187 13.705 15.566 1.00 1.00 C ATOM 463 O GLU A 32 2.297 14.024 15.990 1.00 1.00 O ATOM 464 CB GLU A 32 -0.646 15.301 14.896 1.00 1.00 C ATOM 465 CG GLU A 32 -0.210 16.713 15.289 1.00 1.00 C ATOM 466 CD GLU A 32 -0.773 17.099 16.659 1.00 1.00 C ATOM 467 OE1 GLU A 32 -0.069 16.983 17.672 1.00 1.00 O ATOM 468 OE2 GLU A 32 -1.987 17.535 16.646 1.00 1.00 O ATOM 0 H GLU A 32 0.685 13.645 12.490 1.00 1.00 H new ATOM 0 HA GLU A 32 1.283 15.166 14.005 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.400 15.355 14.111 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.110 14.809 15.751 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.878 16.769 15.310 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.551 17.425 14.538 1.00 1.00 H new ATOM 476 N LYS A 33 0.461 12.704 16.044 1.00 1.00 N ATOM 477 CA LYS A 33 0.945 11.887 17.143 1.00 1.00 C ATOM 478 C LYS A 33 1.949 10.863 16.608 1.00 1.00 C ATOM 479 O LYS A 33 2.222 9.856 17.260 1.00 1.00 O ATOM 480 CB LYS A 33 -0.226 11.260 17.902 1.00 1.00 C ATOM 481 CG LYS A 33 -0.201 9.735 17.787 1.00 1.00 C ATOM 482 CD LYS A 33 -1.569 9.138 18.127 1.00 1.00 C ATOM 483 CE LYS A 33 -1.520 8.377 19.453 1.00 1.00 C ATOM 484 NZ LYS A 33 -2.799 8.523 20.182 1.00 1.00 N ATOM 0 H LYS A 33 -0.459 12.441 15.690 1.00 1.00 H new ATOM 0 HA LYS A 33 1.473 12.503 17.871 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.180 11.550 18.952 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -1.167 11.643 17.506 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.084 9.447 16.775 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.555 9.328 18.459 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -2.312 9.933 18.187 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.885 8.466 17.329 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -1.319 7.322 19.266 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -0.701 8.754 20.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -2.952 7.689 20.785 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -2.765 9.377 20.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -3.580 8.605 19.500 1.00 1.00 H new ATOM 497 N GLY A 34 2.471 11.156 15.426 1.00 1.00 N ATOM 498 CA GLY A 34 3.438 10.273 14.795 1.00 1.00 C ATOM 499 C GLY A 34 2.739 9.207 13.951 1.00 1.00 C ATOM 500 O GLY A 34 1.563 8.897 14.133 1.00 1.00 O ATOM 0 H GLY A 34 2.243 11.992 14.889 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.111 10.856 14.166 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.050 9.793 15.559 1.00 1.00 H new ATOM 504 N PRO A 35 3.500 8.644 13.009 1.00 1.00 N ATOM 505 CA PRO A 35 3.044 7.615 12.099 1.00 1.00 C ATOM 506 C PRO A 35 2.563 6.409 12.892 1.00 1.00 C ATOM 507 O PRO A 35 2.223 6.567 14.064 1.00 1.00 O ATOM 508 CB PRO A 35 4.270 7.264 11.260 1.00 1.00 C ATOM 509 CG PRO A 35 5.504 7.719 12.180 1.00 1.00 C ATOM 510 CD PRO A 35 4.885 8.984 12.767 1.00 1.00 C ATOM 0 HA PRO A 35 2.211 7.939 11.475 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.310 6.198 11.035 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.266 7.791 10.306 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.762 6.981 12.940 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.410 7.916 11.607 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.386 9.278 13.689 1.00 1.00 H new ATOM 0 HD3 PRO A 35 4.971 9.823 12.076 1.00 1.00 H new ATOM 518 N GLY A 36 2.541 5.248 12.254 1.00 1.00 N ATOM 519 CA GLY A 36 2.096 4.036 12.920 1.00 1.00 C ATOM 520 C GLY A 36 0.578 3.875 12.809 1.00 1.00 C ATOM 521 O GLY A 36 -0.133 4.838 12.530 1.00 1.00 O ATOM 0 H GLY A 36 2.824 5.121 11.282 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.590 3.171 12.477 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.386 4.066 13.970 1.00 1.00 H new ATOM 525 N LYS A 37 0.128 2.649 13.034 1.00 1.00 N ATOM 526 CA LYS A 37 -1.292 2.349 12.964 1.00 1.00 C ATOM 527 C LYS A 37 -2.071 3.402 13.752 1.00 1.00 C ATOM 528 O LYS A 37 -2.160 3.327 14.977 1.00 1.00 O ATOM 529 CB LYS A 37 -1.560 0.914 13.422 1.00 1.00 C ATOM 530 CG LYS A 37 -0.963 0.661 14.809 1.00 1.00 C ATOM 531 CD LYS A 37 0.442 0.065 14.701 1.00 1.00 C ATOM 532 CE LYS A 37 0.526 -1.277 15.431 1.00 1.00 C ATOM 533 NZ LYS A 37 0.222 -2.391 14.506 1.00 1.00 N ATOM 0 H LYS A 37 0.722 1.852 13.265 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.641 2.400 11.933 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.634 0.730 13.445 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.132 0.214 12.705 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.923 1.596 15.368 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.608 -0.017 15.368 1.00 1.00 H new ATOM 0 HD2 LYS A 37 0.704 -0.071 13.652 1.00 1.00 H new ATOM 0 HD3 LYS A 37 1.169 0.759 15.123 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.523 -1.407 15.851 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.175 -1.288 16.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.284 -3.294 15.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -0.739 -2.274 14.125 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.907 -2.389 13.724 1.00 1.00 H new ATOM 546 N ILE A 38 -2.618 4.360 13.018 1.00 1.00 N ATOM 547 CA ILE A 38 -3.387 5.428 13.633 1.00 1.00 C ATOM 548 C ILE A 38 -4.141 4.875 14.845 1.00 1.00 C ATOM 549 O ILE A 38 -4.622 3.743 14.818 1.00 1.00 O ATOM 550 CB ILE A 38 -4.294 6.099 12.600 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.627 7.346 12.014 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.668 6.411 13.196 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.259 8.621 12.575 1.00 1.00 C ATOM 0 H ILE A 38 -2.544 4.419 12.002 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.724 6.212 13.999 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.451 5.400 11.778 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.561 7.334 12.242 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -3.721 7.337 10.928 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.293 6.888 12.440 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.140 5.486 13.526 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.552 7.082 14.047 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.767 9.492 12.142 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.320 8.642 12.325 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.142 8.639 13.659 1.00 1.00 H new ATOM 560 N GLU A 39 -4.219 5.699 15.880 1.00 1.00 N ATOM 561 CA GLU A 39 -4.906 5.306 17.099 1.00 1.00 C ATOM 562 C GLU A 39 -6.206 4.572 16.763 1.00 1.00 C ATOM 563 O GLU A 39 -7.240 5.202 16.544 1.00 1.00 O ATOM 564 CB GLU A 39 -5.176 6.519 17.991 1.00 1.00 C ATOM 565 CG GLU A 39 -6.241 7.427 17.374 1.00 1.00 C ATOM 566 CD GLU A 39 -7.587 7.252 18.080 1.00 1.00 C ATOM 567 OE1 GLU A 39 -7.624 7.049 19.303 1.00 1.00 O ATOM 568 OE2 GLU A 39 -8.620 7.334 17.312 1.00 1.00 O ATOM 0 H GLU A 39 -3.818 6.637 15.900 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.260 4.625 17.653 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -5.504 6.185 18.976 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -4.253 7.081 18.136 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -5.922 8.467 17.444 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -6.350 7.198 16.314 1.00 1.00 H new ATOM 576 N GLY A 40 -6.111 3.251 16.732 1.00 1.00 N ATOM 577 CA GLY A 40 -7.267 2.425 16.427 1.00 1.00 C ATOM 578 C GLY A 40 -8.268 3.184 15.555 1.00 1.00 C ATOM 579 O GLY A 40 -9.271 3.692 16.053 1.00 1.00 O ATOM 0 H GLY A 40 -5.252 2.732 16.913 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -6.946 1.519 15.913 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -7.750 2.112 17.353 1.00 1.00 H new ATOM 583 N PHE A 41 -7.962 3.236 14.267 1.00 1.00 N ATOM 584 CA PHE A 41 -8.821 3.924 13.319 1.00 1.00 C ATOM 585 C PHE A 41 -10.273 3.460 13.459 1.00 1.00 C ATOM 586 O PHE A 41 -10.532 2.359 13.942 1.00 1.00 O ATOM 587 CB PHE A 41 -8.318 3.570 11.918 1.00 1.00 C ATOM 588 CG PHE A 41 -9.114 4.225 10.788 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.394 3.838 10.543 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.540 5.195 10.026 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.132 4.446 9.494 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.278 5.803 8.977 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.558 5.416 8.732 1.00 1.00 C ATOM 0 H PHE A 41 -7.130 2.812 13.857 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.791 4.998 13.502 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.273 3.867 11.832 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.353 2.488 11.793 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -10.850 3.067 11.147 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.523 5.502 10.219 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.149 4.139 9.301 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.822 6.574 8.373 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.119 5.878 7.933 1.00 1.00 H new ATOM 603 N GLY A 42 -11.181 4.323 13.029 1.00 1.00 N ATOM 604 CA GLY A 42 -12.599 4.015 13.100 1.00 1.00 C ATOM 605 C GLY A 42 -13.361 4.672 11.946 1.00 1.00 C ATOM 606 O GLY A 42 -12.837 5.561 11.278 1.00 1.00 O ATOM 0 H GLY A 42 -10.962 5.236 12.630 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.742 2.935 13.067 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.003 4.361 14.051 1.00 1.00 H new ATOM 610 N LYS A 43 -14.586 4.208 11.750 1.00 1.00 N ATOM 611 CA LYS A 43 -15.426 4.738 10.689 1.00 1.00 C ATOM 612 C LYS A 43 -15.846 6.166 11.043 1.00 1.00 C ATOM 613 O LYS A 43 -15.581 7.100 10.288 1.00 1.00 O ATOM 614 CB LYS A 43 -16.604 3.800 10.418 1.00 1.00 C ATOM 615 CG LYS A 43 -16.292 2.848 9.260 1.00 1.00 C ATOM 616 CD LYS A 43 -15.793 1.499 9.779 1.00 1.00 C ATOM 617 CE LYS A 43 -14.286 1.535 10.045 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.814 0.219 10.529 1.00 1.00 N ATOM 0 H LYS A 43 -15.017 3.471 12.308 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.869 4.791 9.753 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -16.829 3.225 11.316 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.493 4.385 10.183 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.186 2.701 8.655 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.538 3.294 8.611 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -16.321 1.241 10.697 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -16.019 0.720 9.051 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.756 1.805 9.132 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -14.059 2.304 10.784 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.790 0.261 10.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.307 -0.023 11.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.013 -0.507 9.811 1.00 1.00 H new ATOM 631 N GLU A 44 -16.495 6.290 12.192 1.00 1.00 N ATOM 632 CA GLU A 44 -16.954 7.588 12.656 1.00 1.00 C ATOM 633 C GLU A 44 -15.881 8.650 12.408 1.00 1.00 C ATOM 634 O GLU A 44 -16.198 9.799 12.103 1.00 1.00 O ATOM 635 CB GLU A 44 -17.343 7.536 14.134 1.00 1.00 C ATOM 636 CG GLU A 44 -16.118 7.729 15.031 1.00 1.00 C ATOM 637 CD GLU A 44 -15.179 6.523 14.942 1.00 1.00 C ATOM 638 OE1 GLU A 44 -15.647 5.374 14.910 1.00 1.00 O ATOM 639 OE2 GLU A 44 -13.924 6.813 14.905 1.00 1.00 O ATOM 0 H GLU A 44 -16.714 5.513 12.815 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.845 7.860 12.090 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.080 8.310 14.347 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.814 6.578 14.356 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.585 8.633 14.735 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.437 7.871 16.064 1.00 1.00 H new ATOM 647 N MET A 45 -14.633 8.229 12.549 1.00 1.00 N ATOM 648 CA MET A 45 -13.512 9.130 12.345 1.00 1.00 C ATOM 649 C MET A 45 -13.315 9.432 10.858 1.00 1.00 C ATOM 650 O MET A 45 -13.024 10.568 10.485 1.00 1.00 O ATOM 651 CB MET A 45 -12.239 8.497 12.912 1.00 1.00 C ATOM 652 CG MET A 45 -11.565 9.429 13.921 1.00 1.00 C ATOM 653 SD MET A 45 -12.019 8.960 15.582 1.00 1.00 S ATOM 654 CE MET A 45 -10.440 9.130 16.395 1.00 1.00 C ATOM 0 H MET A 45 -14.373 7.276 12.802 1.00 1.00 H new ATOM 0 HA MET A 45 -13.723 10.067 12.861 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.483 7.550 13.393 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.547 8.273 12.100 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.482 9.383 13.804 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.862 10.460 13.731 1.00 1.00 H new ATOM 0 HE1 MET A 45 -10.484 8.660 17.377 1.00 1.00 H new ATOM 0 HE2 MET A 45 -9.668 8.647 15.796 1.00 1.00 H new ATOM 0 HE3 MET A 45 -10.201 10.187 16.509 1.00 1.00 H new ATOM 664 N ALA A 46 -13.479 8.395 10.051 1.00 1.00 N ATOM 665 CA ALA A 46 -13.323 8.536 8.612 1.00 1.00 C ATOM 666 C ALA A 46 -14.160 9.720 8.126 1.00 1.00 C ATOM 667 O ALA A 46 -13.621 10.732 7.681 1.00 1.00 O ATOM 668 CB ALA A 46 -13.713 7.225 7.926 1.00 1.00 C ATOM 0 H ALA A 46 -13.718 7.454 10.365 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.283 8.741 8.357 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.596 7.330 6.847 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.069 6.421 8.284 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.752 6.988 8.157 1.00 1.00 H new ATOM 674 N HIS A 47 -15.479 9.557 8.226 1.00 1.00 N ATOM 675 CA HIS A 47 -16.438 10.577 7.813 1.00 1.00 C ATOM 676 C HIS A 47 -16.268 11.834 8.686 1.00 1.00 C ATOM 677 O HIS A 47 -16.834 12.881 8.377 1.00 1.00 O ATOM 678 CB HIS A 47 -17.849 9.974 7.841 1.00 1.00 C ATOM 679 CG HIS A 47 -18.011 8.595 7.244 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.469 7.555 7.950 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.759 8.118 5.981 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.500 6.474 7.155 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.072 6.765 5.928 1.00 1.00 N ATOM 0 H HIS A 47 -15.912 8.711 8.597 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.259 10.902 6.788 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.182 9.937 8.878 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.520 10.653 7.315 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.377 8.703 5.157 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -18.829 5.495 7.470 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -17.992 6.136 5.129 1.00 1.00 H new ATOM 691 N GLY A 48 -15.489 11.686 9.748 1.00 1.00 N ATOM 692 CA GLY A 48 -15.243 12.794 10.655 1.00 1.00 C ATOM 693 C GLY A 48 -14.233 13.777 10.060 1.00 1.00 C ATOM 694 O GLY A 48 -14.376 14.203 8.915 1.00 1.00 O ATOM 0 H GLY A 48 -15.020 10.816 10.000 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.179 13.312 10.865 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.869 12.414 11.606 1.00 1.00 H new ATOM 698 N LYS A 49 -13.233 14.107 10.865 1.00 1.00 N ATOM 699 CA LYS A 49 -12.199 15.032 10.432 1.00 1.00 C ATOM 700 C LYS A 49 -10.895 14.263 10.210 1.00 1.00 C ATOM 701 O LYS A 49 -9.840 14.672 10.692 1.00 1.00 O ATOM 702 CB LYS A 49 -12.069 16.191 11.422 1.00 1.00 C ATOM 703 CG LYS A 49 -12.161 17.539 10.703 1.00 1.00 C ATOM 704 CD LYS A 49 -11.691 18.678 11.610 1.00 1.00 C ATOM 705 CE LYS A 49 -12.656 19.863 11.546 1.00 1.00 C ATOM 706 NZ LYS A 49 -12.390 20.809 12.653 1.00 1.00 N ATOM 0 H LYS A 49 -13.117 13.751 11.814 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.468 15.487 9.479 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.855 16.122 12.174 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.117 16.120 11.948 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.553 17.515 9.799 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.190 17.719 10.391 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.614 18.322 12.637 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.694 19.000 11.309 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.550 20.375 10.589 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -13.684 19.506 11.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -13.054 21.607 12.594 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -12.514 20.322 13.563 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -11.415 21.164 12.580 1.00 1.00 H new ATOM 719 N GLY A 50 -11.010 13.164 9.480 1.00 1.00 N ATOM 720 CA GLY A 50 -9.853 12.334 9.188 1.00 1.00 C ATOM 721 C GLY A 50 -10.076 11.508 7.920 1.00 1.00 C ATOM 722 O GLY A 50 -9.643 10.359 7.838 1.00 1.00 O ATOM 0 H GLY A 50 -11.887 12.828 9.082 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.971 12.963 9.066 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.656 11.669 10.029 1.00 1.00 H new ATOM 726 N CYS A 51 -10.753 12.124 6.962 1.00 1.00 N ATOM 727 CA CYS A 51 -11.040 11.459 5.702 1.00 1.00 C ATOM 728 C CYS A 51 -11.896 12.397 4.848 1.00 1.00 C ATOM 729 O CYS A 51 -11.462 12.848 3.789 1.00 1.00 O ATOM 730 CB CYS A 51 -11.720 10.106 5.918 1.00 1.00 C ATOM 731 SG CYS A 51 -11.131 8.767 4.818 1.00 1.00 S ATOM 0 H CYS A 51 -11.111 13.076 7.033 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.107 11.244 5.181 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.568 9.800 6.953 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.794 10.228 5.776 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.772 7.669 5.089 1.00 1.00 H new ATOM 736 N LYS A 52 -13.097 12.663 5.341 1.00 1.00 N ATOM 737 CA LYS A 52 -14.017 13.540 4.636 1.00 1.00 C ATOM 738 C LYS A 52 -13.903 14.955 5.205 1.00 1.00 C ATOM 739 O LYS A 52 -13.613 15.901 4.473 1.00 1.00 O ATOM 740 CB LYS A 52 -15.437 12.972 4.679 1.00 1.00 C ATOM 741 CG LYS A 52 -16.336 13.662 3.651 1.00 1.00 C ATOM 742 CD LYS A 52 -17.750 13.854 4.200 1.00 1.00 C ATOM 743 CE LYS A 52 -18.746 12.942 3.480 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.269 13.604 2.264 1.00 1.00 N ATOM 0 H LYS A 52 -13.454 12.287 6.219 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.754 13.599 3.580 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.410 11.900 4.482 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.854 13.102 5.678 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.912 14.630 3.383 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.374 13.067 2.739 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.761 13.639 5.269 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -18.052 14.894 4.081 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.260 12.004 3.210 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -19.570 12.693 4.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.308 13.563 2.266 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -18.961 14.597 2.250 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.906 13.117 1.420 1.00 1.00 H new ATOM 757 N GLY A 53 -14.137 15.057 6.504 1.00 1.00 N ATOM 758 CA GLY A 53 -14.064 16.342 7.180 1.00 1.00 C ATOM 759 C GLY A 53 -12.985 17.229 6.555 1.00 1.00 C ATOM 760 O GLY A 53 -13.213 18.415 6.317 1.00 1.00 O ATOM 0 H GLY A 53 -14.378 14.271 7.108 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.030 16.843 7.122 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.847 16.189 8.237 1.00 1.00 H new ATOM 764 N CYS A 54 -11.835 16.621 6.307 1.00 1.00 N ATOM 765 CA CYS A 54 -10.720 17.341 5.714 1.00 1.00 C ATOM 766 C CYS A 54 -11.209 18.005 4.425 1.00 1.00 C ATOM 767 O CYS A 54 -11.410 19.217 4.377 1.00 1.00 O ATOM 768 CB CYS A 54 -9.521 16.424 5.466 1.00 1.00 C ATOM 769 SG CYS A 54 -8.032 17.106 6.280 1.00 1.00 S ATOM 0 H CYS A 54 -11.650 15.638 6.506 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.369 18.107 6.406 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.731 15.426 5.851 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.346 16.323 4.395 1.00 1.00 H new ATOM 0 HG CYS A 54 -7.021 16.318 6.065 1.00 1.00 H new ATOM 774 N HIS A 55 -11.387 17.174 3.397 1.00 1.00 N ATOM 775 CA HIS A 55 -11.849 17.623 2.088 1.00 1.00 C ATOM 776 C HIS A 55 -12.902 18.733 2.259 1.00 1.00 C ATOM 777 O HIS A 55 -12.846 19.751 1.571 1.00 1.00 O ATOM 778 CB HIS A 55 -12.337 16.406 1.289 1.00 1.00 C ATOM 779 CG HIS A 55 -11.426 15.201 1.260 1.00 1.00 C ATOM 780 ND1 HIS A 55 -10.071 15.095 1.055 1.00 1.00 N flip ATOM 781 CD2 HIS A 55 -11.872 13.956 1.452 1.00 1.00 C flip ATOM 782 CE1 HIS A 55 -9.700 13.757 1.125 1.00 1.00 C flip ATOM 783 NE2 HIS A 55 -10.836 13.107 1.369 1.00 1.00 N flip ATOM 0 H HIS A 55 -11.214 16.170 3.451 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.040 18.071 1.512 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.299 16.095 1.697 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.514 16.723 0.261 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -9.438 15.875 0.879 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -12.898 13.678 1.643 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -8.711 13.338 1.008 1.00 1.00 H new ATOM 791 N GLU A 56 -13.829 18.498 3.176 1.00 1.00 N ATOM 792 CA GLU A 56 -14.882 19.464 3.440 1.00 1.00 C ATOM 793 C GLU A 56 -14.278 20.817 3.820 1.00 1.00 C ATOM 794 O GLU A 56 -14.695 21.853 3.304 1.00 1.00 O ATOM 795 CB GLU A 56 -15.827 18.959 4.533 1.00 1.00 C ATOM 796 CG GLU A 56 -16.674 20.102 5.096 1.00 1.00 C ATOM 797 CD GLU A 56 -16.104 20.605 6.424 1.00 1.00 C ATOM 798 OE1 GLU A 56 -15.054 21.264 6.439 1.00 1.00 O ATOM 799 OE2 GLU A 56 -16.793 20.287 7.467 1.00 1.00 O ATOM 0 H GLU A 56 -13.873 17.653 3.745 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.467 19.592 2.530 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.478 18.185 4.127 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.249 18.501 5.335 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.709 20.921 4.378 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.699 19.762 5.242 1.00 1.00 H new ATOM 807 N GLU A 57 -13.306 20.765 4.718 1.00 1.00 N ATOM 808 CA GLU A 57 -12.641 21.974 5.172 1.00 1.00 C ATOM 809 C GLU A 57 -11.601 22.427 4.144 1.00 1.00 C ATOM 810 O GLU A 57 -11.591 23.587 3.735 1.00 1.00 O ATOM 811 CB GLU A 57 -11.999 21.764 6.544 1.00 1.00 C ATOM 812 CG GLU A 57 -12.045 23.049 7.374 1.00 1.00 C ATOM 813 CD GLU A 57 -10.924 24.007 6.965 1.00 1.00 C ATOM 814 OE1 GLU A 57 -11.029 24.676 5.926 1.00 1.00 O ATOM 815 OE2 GLU A 57 -9.917 24.043 7.771 1.00 1.00 O ATOM 0 H GLU A 57 -12.963 19.904 5.144 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.389 22.760 5.273 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.518 20.966 7.074 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.964 21.444 6.420 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.011 23.537 7.242 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -11.952 22.806 8.432 1.00 1.00 H new ATOM 823 N MET A 58 -10.752 21.486 3.754 1.00 1.00 N ATOM 824 CA MET A 58 -9.712 21.774 2.782 1.00 1.00 C ATOM 825 C MET A 58 -10.316 22.204 1.443 1.00 1.00 C ATOM 826 O MET A 58 -9.651 22.854 0.639 1.00 1.00 O ATOM 827 CB MET A 58 -8.848 20.528 2.576 1.00 1.00 C ATOM 828 CG MET A 58 -7.361 20.866 2.698 1.00 1.00 C ATOM 829 SD MET A 58 -6.402 19.365 2.815 1.00 1.00 S ATOM 830 CE MET A 58 -4.925 20.000 3.592 1.00 1.00 C ATOM 0 H MET A 58 -10.764 20.524 4.094 1.00 1.00 H new ATOM 0 HA MET A 58 -9.101 22.593 3.163 1.00 1.00 H new ATOM 0 HB2 MET A 58 -9.114 19.771 3.313 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.048 20.101 1.593 1.00 1.00 H new ATOM 0 HG2 MET A 58 -7.039 21.446 1.833 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.191 21.485 3.579 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.214 19.188 3.740 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.478 20.763 2.955 1.00 1.00 H new ATOM 0 HE3 MET A 58 -5.181 20.438 4.557 1.00 1.00 H new ATOM 840 N LYS A 59 -11.570 21.824 1.247 1.00 1.00 N ATOM 841 CA LYS A 59 -12.271 22.161 0.020 1.00 1.00 C ATOM 842 C LYS A 59 -11.617 21.431 -1.154 1.00 1.00 C ATOM 843 O LYS A 59 -11.883 21.747 -2.313 1.00 1.00 O ATOM 844 CB LYS A 59 -12.336 23.680 -0.158 1.00 1.00 C ATOM 845 CG LYS A 59 -13.634 24.246 0.423 1.00 1.00 C ATOM 846 CD LYS A 59 -14.399 25.052 -0.629 1.00 1.00 C ATOM 847 CE LYS A 59 -15.663 25.671 -0.030 1.00 1.00 C ATOM 848 NZ LYS A 59 -15.711 27.124 -0.310 1.00 1.00 N ATOM 0 H LYS A 59 -12.119 21.286 1.918 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.306 21.823 0.067 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.481 24.144 0.333 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -12.269 23.929 -1.217 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.259 23.431 0.788 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.407 24.881 1.279 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -13.758 25.838 -1.027 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.667 24.405 -1.464 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -16.545 25.185 -0.446 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.683 25.501 1.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -16.575 27.529 0.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -14.878 27.586 0.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -15.714 27.279 -1.338 1.00 1.00 H new ATOM 861 N LYS A 60 -10.772 20.469 -0.815 1.00 1.00 N ATOM 862 CA LYS A 60 -10.077 19.692 -1.826 1.00 1.00 C ATOM 863 C LYS A 60 -10.217 18.202 -1.504 1.00 1.00 C ATOM 864 O LYS A 60 -9.996 17.785 -0.369 1.00 1.00 O ATOM 865 CB LYS A 60 -8.625 20.158 -1.957 1.00 1.00 C ATOM 866 CG LYS A 60 -7.992 20.373 -0.581 1.00 1.00 C ATOM 867 CD LYS A 60 -6.524 20.781 -0.711 1.00 1.00 C ATOM 868 CE LYS A 60 -6.395 22.183 -1.310 1.00 1.00 C ATOM 869 NZ LYS A 60 -5.259 22.241 -2.256 1.00 1.00 N ATOM 0 H LYS A 60 -10.553 20.210 0.147 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.529 19.852 -2.805 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.051 19.418 -2.514 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.587 21.086 -2.528 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.541 21.144 -0.041 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.068 19.457 0.005 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.048 20.755 0.269 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.998 20.063 -1.340 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.318 22.451 -1.824 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.250 22.913 -0.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.186 23.200 -2.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -4.378 22.006 -1.756 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.413 21.558 -3.025 1.00 1.00 H new ATOM 882 N GLY A 61 -10.587 17.441 -2.525 1.00 1.00 N ATOM 883 CA GLY A 61 -10.760 16.008 -2.365 1.00 1.00 C ATOM 884 C GLY A 61 -12.212 15.600 -2.617 1.00 1.00 C ATOM 885 O GLY A 61 -13.107 16.428 -2.764 1.00 1.00 O ATOM 0 H GLY A 61 -10.771 17.791 -3.465 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.105 15.479 -3.057 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.465 15.713 -1.358 1.00 1.00 H new ATOM 889 N PRO A 62 -12.428 14.283 -2.665 1.00 1.00 N ATOM 890 CA PRO A 62 -13.723 13.675 -2.890 1.00 1.00 C ATOM 891 C PRO A 62 -14.475 13.574 -1.572 1.00 1.00 C ATOM 892 O PRO A 62 -13.854 13.270 -0.555 1.00 1.00 O ATOM 893 CB PRO A 62 -13.412 12.290 -3.453 1.00 1.00 C ATOM 894 CG PRO A 62 -12.092 11.951 -2.790 1.00 1.00 C ATOM 895 CD PRO A 62 -11.399 13.280 -2.498 1.00 1.00 C ATOM 0 HA PRO A 62 -14.351 14.251 -3.570 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.189 11.567 -3.203 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.328 12.304 -4.540 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.253 11.387 -1.871 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.479 11.329 -3.442 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -10.990 13.298 -1.488 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.567 13.450 -3.182 1.00 1.00 H new ATOM 903 N THR A 63 -15.775 13.827 -1.609 1.00 1.00 N ATOM 904 CA THR A 63 -16.586 13.760 -0.405 1.00 1.00 C ATOM 905 C THR A 63 -17.712 12.738 -0.576 1.00 1.00 C ATOM 906 O THR A 63 -18.159 12.133 0.397 1.00 1.00 O ATOM 907 CB THR A 63 -17.088 15.170 -0.093 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.968 15.472 -1.171 1.00 1.00 O ATOM 909 CG2 THR A 63 -15.984 16.224 -0.207 1.00 1.00 C ATOM 0 H THR A 63 -16.287 14.079 -2.454 1.00 1.00 H new ATOM 0 HA THR A 63 -16.001 13.413 0.446 1.00 1.00 H new ATOM 0 HB THR A 63 -17.507 15.191 0.913 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.341 16.370 -1.047 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.394 17.207 0.025 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.184 15.990 0.495 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.587 16.227 -1.222 1.00 1.00 H new ATOM 915 N LYS A 64 -18.137 12.578 -1.821 1.00 1.00 N ATOM 916 CA LYS A 64 -19.203 11.641 -2.132 1.00 1.00 C ATOM 917 C LYS A 64 -18.774 10.232 -1.716 1.00 1.00 C ATOM 918 O LYS A 64 -17.582 9.949 -1.605 1.00 1.00 O ATOM 919 CB LYS A 64 -19.600 11.752 -3.605 1.00 1.00 C ATOM 920 CG LYS A 64 -20.361 13.053 -3.871 1.00 1.00 C ATOM 921 CD LYS A 64 -21.869 12.805 -3.924 1.00 1.00 C ATOM 922 CE LYS A 64 -22.630 13.899 -3.171 1.00 1.00 C ATOM 923 NZ LYS A 64 -23.971 13.415 -2.770 1.00 1.00 N ATOM 0 H LYS A 64 -17.763 13.081 -2.625 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.101 11.883 -1.564 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.708 11.714 -4.230 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.220 10.900 -3.883 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.135 13.777 -3.088 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.027 13.488 -4.813 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -22.200 12.775 -4.962 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.097 11.832 -3.488 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.066 14.200 -2.288 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.729 14.782 -3.803 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -24.474 14.169 -2.260 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -24.512 13.149 -3.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -23.870 12.586 -2.150 1.00 1.00 H new ATOM 936 N CYS A 65 -19.770 9.386 -1.496 1.00 1.00 N ATOM 937 CA CYS A 65 -19.512 8.013 -1.095 1.00 1.00 C ATOM 938 C CYS A 65 -18.906 7.270 -2.286 1.00 1.00 C ATOM 939 O CYS A 65 -17.772 6.799 -2.217 1.00 1.00 O ATOM 940 CB CYS A 65 -20.777 7.327 -0.577 1.00 1.00 C ATOM 941 SG CYS A 65 -22.084 8.467 0.008 1.00 1.00 S ATOM 0 H CYS A 65 -20.757 9.625 -1.588 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.806 8.001 -0.264 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.187 6.704 -1.372 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.503 6.661 0.241 1.00 1.00 H new ATOM 0 HG CYS A 65 -23.107 7.779 0.421 1.00 1.00 H new ATOM 946 N GLY A 66 -19.688 7.188 -3.353 1.00 1.00 N ATOM 947 CA GLY A 66 -19.243 6.510 -4.557 1.00 1.00 C ATOM 948 C GLY A 66 -17.791 6.866 -4.882 1.00 1.00 C ATOM 949 O GLY A 66 -17.095 6.102 -5.549 1.00 1.00 O ATOM 0 H GLY A 66 -20.628 7.581 -3.408 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.336 5.432 -4.427 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.885 6.787 -5.393 1.00 1.00 H new ATOM 953 N GLU A 67 -17.378 8.028 -4.397 1.00 1.00 N ATOM 954 CA GLU A 67 -16.021 8.494 -4.628 1.00 1.00 C ATOM 955 C GLU A 67 -15.039 7.736 -3.733 1.00 1.00 C ATOM 956 O GLU A 67 -13.938 7.396 -4.163 1.00 1.00 O ATOM 957 CB GLU A 67 -15.915 10.004 -4.401 1.00 1.00 C ATOM 958 CG GLU A 67 -16.750 10.772 -5.428 1.00 1.00 C ATOM 959 CD GLU A 67 -16.050 10.807 -6.789 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.609 11.878 -7.232 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.972 9.668 -7.390 1.00 1.00 O ATOM 0 H GLU A 67 -17.959 8.660 -3.846 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.762 8.296 -5.668 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.254 10.249 -3.395 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.872 10.314 -4.470 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.728 10.303 -5.530 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.920 11.790 -5.076 1.00 1.00 H new ATOM 969 N CYS A 68 -15.473 7.492 -2.505 1.00 1.00 N ATOM 970 CA CYS A 68 -14.646 6.780 -1.547 1.00 1.00 C ATOM 971 C CYS A 68 -14.975 5.289 -1.643 1.00 1.00 C ATOM 972 O CYS A 68 -14.080 4.451 -1.734 1.00 1.00 O ATOM 973 CB CYS A 68 -14.838 7.316 -0.127 1.00 1.00 C ATOM 974 SG CYS A 68 -13.535 8.541 0.262 1.00 1.00 S ATOM 0 H CYS A 68 -16.387 7.775 -2.152 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.594 6.935 -1.785 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.821 7.777 -0.033 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.802 6.495 0.589 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.709 8.991 1.469 1.00 1.00 H new ATOM 979 N HIS A 69 -16.276 4.996 -1.621 1.00 1.00 N ATOM 980 CA HIS A 69 -16.780 3.629 -1.703 1.00 1.00 C ATOM 981 C HIS A 69 -17.048 3.261 -3.173 1.00 1.00 C ATOM 982 O HIS A 69 -17.565 4.079 -3.933 1.00 1.00 O ATOM 983 CB HIS A 69 -18.005 3.497 -0.786 1.00 1.00 C ATOM 984 CG HIS A 69 -17.775 3.718 0.691 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.141 2.828 1.461 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.118 4.763 1.516 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.091 3.301 2.717 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.679 4.491 2.806 1.00 1.00 N ATOM 0 H HIS A 69 -17.008 5.702 -1.546 1.00 1.00 H new ATOM 0 HA HIS A 69 -16.043 2.909 -1.348 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.760 4.207 -1.123 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.424 2.500 -0.919 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.758 1.936 1.146 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.645 5.654 1.210 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.633 2.783 3.547 1.00 1.00 H new ATOM 996 N LYS A 70 -16.686 2.036 -3.526 1.00 1.00 N ATOM 997 CA LYS A 70 -16.883 1.558 -4.884 1.00 1.00 C ATOM 998 C LYS A 70 -17.475 0.148 -4.843 1.00 1.00 C ATOM 999 O LYS A 70 -16.952 -0.729 -4.157 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.580 1.656 -5.680 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.855 1.629 -7.185 1.00 1.00 C ATOM 1002 CD LYS A 70 -15.632 0.227 -7.758 1.00 1.00 C ATOM 1003 CE LYS A 70 -14.218 0.085 -8.324 1.00 1.00 C ATOM 1004 NZ LYS A 70 -13.430 -0.873 -7.516 1.00 1.00 N ATOM 0 H LYS A 70 -16.257 1.360 -2.894 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.599 2.189 -5.410 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.058 2.576 -5.418 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.922 0.829 -5.412 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.880 1.945 -7.377 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -15.202 2.341 -7.691 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -15.792 -0.518 -6.979 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -16.363 0.030 -8.542 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.266 -0.256 -9.358 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -13.724 1.056 -8.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -12.473 -0.958 -7.914 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -13.369 -0.532 -6.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.894 -1.803 -7.530 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.558 -0.026 -5.587 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.226 -1.315 -5.645 1.00 1.00 C ATOM 1019 C LYS A 71 -19.322 -1.770 -7.103 1.00 1.00 C ATOM 1020 O LYS A 71 -18.447 -1.466 -7.911 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.577 -1.251 -4.930 1.00 1.00 C ATOM 1022 CG LYS A 71 -20.638 -2.259 -3.781 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.032 -2.288 -3.151 1.00 1.00 C ATOM 1024 CE LYS A 71 -22.591 -3.713 -3.125 1.00 1.00 C ATOM 1025 NZ LYS A 71 -23.903 -3.742 -2.440 1.00 1.00 N ATOM 0 H LYS A 71 -18.989 0.704 -6.154 1.00 1.00 H new ATOM 0 HA LYS A 71 -18.646 -2.069 -5.113 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.741 -0.245 -4.545 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.378 -1.455 -5.640 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.381 -3.252 -4.150 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -19.898 -1.998 -3.024 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -21.985 -1.893 -2.136 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -22.703 -1.640 -3.714 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -22.697 -4.087 -4.143 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -21.892 -4.375 -2.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -24.268 -4.716 -2.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -23.792 -3.405 -1.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -24.572 -3.126 -2.945 1.00 1.00 H new