USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 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= -0.085 X(o=0.57,f=0.54) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.654 K(o=0.57,f=-2.2!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0.101 K(o=-2.3,f=-3.3) USER MOD Set 2.2: A 55 HIS : no HD1:sc= -2.4! X(o=-2.3!,f=-1.8) USER MOD Set 3.1: A 17 HIS :FLIP no HD1:sc= -1.62 F(o=-7.7!,f=-6.3) USER MOD Set 3.2: A 21 GLN :FLIP amide:sc= -4.69! C(o=-9.7!,f=-6.3!) USER MOD Set 3.3: A 31 HIS : no HE2:sc= 0 K(o=-6.3,f=-7.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.05! C(o=-1!,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -171:sc= 0 (180deg=-0.0536) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.272 (180deg=-1.66!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 1.15 (180deg=0.991) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.0598 (180deg=-0.564) USER MOD Single : A 54 CYS SG : rot -75:sc= 0.0985 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+ 162:sc= 0.264 (180deg=0.101) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0096 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.11 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 2.062 2.511 -1.370 1.00 1.00 N ATOM 12 CA ASP A 2 1.548 3.673 -2.072 1.00 1.00 C ATOM 13 C ASP A 2 0.024 3.716 -1.932 1.00 1.00 C ATOM 14 O ASP A 2 -0.542 4.750 -1.582 1.00 1.00 O ATOM 15 CB ASP A 2 1.884 3.608 -3.564 1.00 1.00 C ATOM 16 CG ASP A 2 1.678 2.238 -4.214 1.00 1.00 C ATOM 17 OD1 ASP A 2 1.126 1.315 -3.597 1.00 1.00 O ATOM 18 OD2 ASP A 2 2.118 2.138 -5.422 1.00 1.00 O ATOM 0 HA ASP A 2 2.007 4.560 -1.637 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.271 4.339 -4.091 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.924 3.905 -3.700 1.00 1.00 H new ATOM 24 N ASP A 3 -0.595 2.579 -2.213 1.00 1.00 N ATOM 25 CA ASP A 3 -2.042 2.473 -2.122 1.00 1.00 C ATOM 26 C ASP A 3 -2.412 1.638 -0.896 1.00 1.00 C ATOM 27 O ASP A 3 -1.846 0.569 -0.673 1.00 1.00 O ATOM 28 CB ASP A 3 -2.622 1.781 -3.358 1.00 1.00 C ATOM 29 CG ASP A 3 -2.132 2.333 -4.698 1.00 1.00 C ATOM 30 OD1 ASP A 3 -1.735 3.503 -4.800 1.00 1.00 O ATOM 31 OD2 ASP A 3 -2.168 1.496 -5.678 1.00 1.00 O ATOM 0 H ASP A 3 -0.122 1.723 -2.504 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.450 3.481 -2.048 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.379 0.720 -3.309 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -3.709 1.861 -3.325 1.00 1.00 H new ATOM 37 N ILE A 4 -3.361 2.157 -0.130 1.00 1.00 N ATOM 38 CA ILE A 4 -3.814 1.472 1.070 1.00 1.00 C ATOM 39 C ILE A 4 -5.320 1.220 0.970 1.00 1.00 C ATOM 40 O ILE A 4 -6.109 2.163 0.925 1.00 1.00 O ATOM 41 CB ILE A 4 -3.401 2.252 2.319 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.012 2.869 2.148 1.00 1.00 C ATOM 43 CG2 ILE A 4 -3.488 1.373 3.568 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.217 2.800 3.453 1.00 1.00 C ATOM 0 H ILE A 4 -3.829 3.044 -0.317 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.333 0.498 1.158 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.103 3.075 2.454 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.471 2.344 1.361 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -2.108 3.907 1.831 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.189 1.952 4.442 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -4.513 1.024 3.697 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -2.824 0.516 3.456 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.233 3.245 3.304 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -1.748 3.347 4.232 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.102 1.759 3.754 1.00 1.00 H new ATOM 51 N VAL A 5 -5.672 -0.057 0.938 1.00 1.00 N ATOM 52 CA VAL A 5 -7.070 -0.444 0.846 1.00 1.00 C ATOM 53 C VAL A 5 -7.642 -0.617 2.254 1.00 1.00 C ATOM 54 O VAL A 5 -7.088 -1.354 3.067 1.00 1.00 O ATOM 55 CB VAL A 5 -7.207 -1.703 -0.014 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.668 -2.150 -0.100 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.618 -1.482 -1.408 1.00 1.00 C ATOM 0 H VAL A 5 -5.015 -0.836 0.974 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.651 0.336 0.354 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.640 -2.501 0.466 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.739 -3.046 -0.716 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -9.041 -2.367 0.901 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.266 -1.355 -0.546 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.728 -2.392 -1.998 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.145 -0.664 -1.900 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.561 -1.232 -1.321 1.00 1.00 H new ATOM 63 N LEU A 6 -8.744 0.077 2.499 1.00 1.00 N ATOM 64 CA LEU A 6 -9.398 0.010 3.795 1.00 1.00 C ATOM 65 C LEU A 6 -10.576 -0.963 3.718 1.00 1.00 C ATOM 66 O LEU A 6 -11.715 -0.548 3.517 1.00 1.00 O ATOM 67 CB LEU A 6 -9.787 1.411 4.272 1.00 1.00 C ATOM 68 CG LEU A 6 -8.635 2.400 4.462 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.115 3.841 4.286 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.945 2.185 5.811 1.00 1.00 C ATOM 0 H LEU A 6 -9.200 0.688 1.822 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.712 -0.379 4.548 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.489 1.835 3.554 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.318 1.316 5.219 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.892 2.212 3.687 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.277 4.523 4.426 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.523 3.969 3.283 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.888 4.060 5.023 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.130 2.901 5.921 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.666 2.330 6.616 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.547 1.171 5.859 1.00 1.00 H new ATOM 78 N LYS A 7 -10.259 -2.239 3.882 1.00 1.00 N ATOM 79 CA LYS A 7 -11.278 -3.275 3.834 1.00 1.00 C ATOM 80 C LYS A 7 -12.557 -2.757 4.491 1.00 1.00 C ATOM 81 O LYS A 7 -12.585 -2.509 5.696 1.00 1.00 O ATOM 82 CB LYS A 7 -10.752 -4.573 4.451 1.00 1.00 C ATOM 83 CG LYS A 7 -10.628 -5.671 3.393 1.00 1.00 C ATOM 84 CD LYS A 7 -11.598 -6.819 3.678 1.00 1.00 C ATOM 85 CE LYS A 7 -10.855 -8.152 3.786 1.00 1.00 C ATOM 86 NZ LYS A 7 -11.785 -9.235 4.177 1.00 1.00 N ATOM 0 H LYS A 7 -9.312 -2.579 4.048 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.526 -3.518 2.801 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -9.780 -4.394 4.910 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.424 -4.901 5.244 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.831 -5.255 2.406 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.606 -6.050 3.375 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -12.137 -6.623 4.605 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.342 -6.877 2.883 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.388 -8.393 2.831 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.054 -8.070 4.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -11.264 -10.132 4.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.211 -9.011 5.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -12.535 -9.324 3.462 1.00 1.00 H new ATOM 99 N ALA A 8 -13.588 -2.606 3.671 1.00 1.00 N ATOM 100 CA ALA A 8 -14.868 -2.122 4.158 1.00 1.00 C ATOM 101 C ALA A 8 -15.936 -3.193 3.926 1.00 1.00 C ATOM 102 O ALA A 8 -15.786 -4.044 3.050 1.00 1.00 O ATOM 103 CB ALA A 8 -15.209 -0.799 3.468 1.00 1.00 C ATOM 0 H ALA A 8 -13.562 -2.811 2.672 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.823 -1.929 5.230 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.169 -0.435 3.833 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.435 -0.064 3.688 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.266 -0.955 2.391 1.00 1.00 H new ATOM 109 N LYS A 9 -16.988 -3.117 4.727 1.00 1.00 N ATOM 110 CA LYS A 9 -18.080 -4.069 4.621 1.00 1.00 C ATOM 111 C LYS A 9 -19.118 -3.540 3.629 1.00 1.00 C ATOM 112 O LYS A 9 -20.092 -4.223 3.320 1.00 1.00 O ATOM 113 CB LYS A 9 -18.655 -4.382 6.003 1.00 1.00 C ATOM 114 CG LYS A 9 -17.672 -5.213 6.830 1.00 1.00 C ATOM 115 CD LYS A 9 -18.069 -5.221 8.308 1.00 1.00 C ATOM 116 CE LYS A 9 -19.115 -6.300 8.590 1.00 1.00 C ATOM 117 NZ LYS A 9 -20.231 -5.746 9.390 1.00 1.00 N ATOM 0 H LYS A 9 -17.107 -2.410 5.453 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.719 -5.020 4.229 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.881 -3.453 6.526 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.595 -4.924 5.896 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -17.646 -6.235 6.451 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -16.666 -4.807 6.722 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -17.187 -5.395 8.924 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -18.465 -4.244 8.587 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -19.497 -6.699 7.650 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -18.654 -7.130 9.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -20.932 -6.493 9.572 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -19.865 -5.387 10.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -20.681 -4.969 8.866 1.00 1.00 H new ATOM 130 N ASN A 10 -18.873 -2.326 3.157 1.00 1.00 N ATOM 131 CA ASN A 10 -19.774 -1.697 2.205 1.00 1.00 C ATOM 132 C ASN A 10 -18.957 -0.914 1.176 1.00 1.00 C ATOM 133 O ASN A 10 -19.012 0.314 1.139 1.00 1.00 O ATOM 134 CB ASN A 10 -20.716 -0.716 2.906 1.00 1.00 C ATOM 135 CG ASN A 10 -21.425 0.183 1.891 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.790 -0.232 0.803 1.00 1.00 O ATOM 137 ND2 ASN A 10 -21.599 1.435 2.306 1.00 1.00 N ATOM 0 H ASN A 10 -18.064 -1.761 3.416 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.360 -2.481 1.726 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.455 -1.268 3.487 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.151 -0.103 3.608 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -22.062 2.113 1.701 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -21.269 1.717 3.229 1.00 1.00 H new ATOM 143 N GLY A 11 -18.216 -1.656 0.367 1.00 1.00 N ATOM 144 CA GLY A 11 -17.389 -1.047 -0.660 1.00 1.00 C ATOM 145 C GLY A 11 -16.055 -0.573 -0.080 1.00 1.00 C ATOM 146 O GLY A 11 -16.030 0.215 0.865 1.00 1.00 O ATOM 0 H GLY A 11 -18.171 -2.674 0.402 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.207 -1.766 -1.459 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.917 -0.203 -1.104 1.00 1.00 H new ATOM 150 N ASP A 12 -14.979 -1.072 -0.669 1.00 1.00 N ATOM 151 CA ASP A 12 -13.644 -0.709 -0.222 1.00 1.00 C ATOM 152 C ASP A 12 -13.388 0.765 -0.539 1.00 1.00 C ATOM 153 O ASP A 12 -14.170 1.396 -1.250 1.00 1.00 O ATOM 154 CB ASP A 12 -12.579 -1.540 -0.938 1.00 1.00 C ATOM 155 CG ASP A 12 -13.025 -2.941 -1.358 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.299 -3.805 -0.512 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.086 -3.136 -2.632 1.00 1.00 O ATOM 0 H ASP A 12 -15.004 -1.725 -1.452 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.585 -0.895 0.850 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.253 -0.998 -1.826 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.712 -1.632 -0.284 1.00 1.00 H new ATOM 163 N VAL A 13 -12.292 1.272 0.003 1.00 1.00 N ATOM 164 CA VAL A 13 -11.922 2.661 -0.213 1.00 1.00 C ATOM 165 C VAL A 13 -10.487 2.727 -0.741 1.00 1.00 C ATOM 166 O VAL A 13 -9.557 2.272 -0.078 1.00 1.00 O ATOM 167 CB VAL A 13 -12.123 3.463 1.074 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.685 4.917 0.888 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.575 3.384 1.549 1.00 1.00 C ATOM 0 H VAL A 13 -11.647 0.746 0.592 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.566 3.114 -0.966 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.494 3.020 1.846 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.838 5.465 1.818 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.629 4.947 0.619 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.275 5.376 0.095 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.690 3.963 2.465 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.232 3.789 0.779 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.839 2.344 1.741 1.00 1.00 H new ATOM 175 N LYS A 14 -10.354 3.298 -1.930 1.00 1.00 N ATOM 176 CA LYS A 14 -9.048 3.429 -2.554 1.00 1.00 C ATOM 177 C LYS A 14 -8.366 4.697 -2.037 1.00 1.00 C ATOM 178 O LYS A 14 -8.621 5.791 -2.537 1.00 1.00 O ATOM 179 CB LYS A 14 -9.175 3.375 -4.078 1.00 1.00 C ATOM 180 CG LYS A 14 -8.889 1.967 -4.603 1.00 1.00 C ATOM 181 CD LYS A 14 -9.696 0.921 -3.832 1.00 1.00 C ATOM 182 CE LYS A 14 -8.970 -0.426 -3.813 1.00 1.00 C ATOM 183 NZ LYS A 14 -9.429 -1.278 -4.934 1.00 1.00 N ATOM 0 H LYS A 14 -11.128 3.675 -2.477 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.409 2.589 -2.281 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.179 3.680 -4.374 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -8.480 4.083 -4.530 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -9.136 1.913 -5.663 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.825 1.750 -4.512 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -9.861 1.264 -2.811 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -10.678 0.803 -4.291 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -7.894 -0.267 -3.886 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -9.154 -0.932 -2.865 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -8.927 -2.188 -4.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -10.452 -1.444 -4.847 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -9.231 -0.801 -5.836 1.00 1.00 H new ATOM 196 N PHE A 15 -7.510 4.507 -1.043 1.00 1.00 N ATOM 197 CA PHE A 15 -6.789 5.622 -0.453 1.00 1.00 C ATOM 198 C PHE A 15 -5.300 5.554 -0.795 1.00 1.00 C ATOM 199 O PHE A 15 -4.556 4.707 -0.306 1.00 1.00 O ATOM 200 CB PHE A 15 -6.958 5.511 1.063 1.00 1.00 C ATOM 201 CG PHE A 15 -6.442 6.726 1.837 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.850 7.976 1.492 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.572 6.555 2.870 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.371 9.103 2.211 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.093 7.683 3.588 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.502 8.932 3.243 1.00 1.00 C ATOM 0 H PHE A 15 -7.300 3.598 -0.632 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.180 6.564 -0.838 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.014 5.370 1.291 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.434 4.621 1.413 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.538 8.112 0.671 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.246 5.562 3.143 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.697 10.096 1.938 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.404 7.548 4.408 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.137 9.789 3.789 1.00 1.00 H new ATOM 216 N PRO A 16 -4.876 6.480 -1.659 1.00 1.00 N ATOM 217 CA PRO A 16 -3.510 6.601 -2.120 1.00 1.00 C ATOM 218 C PRO A 16 -2.703 7.413 -1.117 1.00 1.00 C ATOM 219 O PRO A 16 -2.749 8.641 -1.163 1.00 1.00 O ATOM 220 CB PRO A 16 -3.612 7.331 -3.459 1.00 1.00 C ATOM 221 CG PRO A 16 -4.822 8.235 -3.234 1.00 1.00 C ATOM 222 CD PRO A 16 -5.724 7.491 -2.254 1.00 1.00 C ATOM 0 HA PRO A 16 -3.011 5.638 -2.226 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.711 7.903 -3.682 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.766 6.642 -4.289 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.518 9.200 -2.829 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.342 8.432 -4.171 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.125 8.165 -1.497 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.576 7.041 -2.765 1.00 1.00 H new ATOM 230 N HIS A 17 -1.984 6.724 -0.230 1.00 1.00 N ATOM 231 CA HIS A 17 -1.162 7.363 0.791 1.00 1.00 C ATOM 232 C HIS A 17 -0.038 8.173 0.124 1.00 1.00 C ATOM 233 O HIS A 17 0.074 9.378 0.348 1.00 1.00 O ATOM 234 CB HIS A 17 -0.671 6.290 1.775 1.00 1.00 C ATOM 235 CG HIS A 17 -0.032 6.783 3.053 1.00 1.00 C ATOM 236 ND1 HIS A 17 -0.583 7.297 4.203 1.00 1.00 N flip ATOM 237 CD2 HIS A 17 1.291 6.779 3.245 1.00 1.00 C flip ATOM 238 CE1 HIS A 17 0.432 7.608 5.100 1.00 1.00 C flip ATOM 239 NE2 HIS A 17 1.554 7.272 4.465 1.00 1.00 N flip ATOM 0 H HIS A 17 -1.957 5.705 -0.202 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.737 8.083 1.374 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.519 5.658 2.040 1.00 1.00 H new ATOM 0 HB3 HIS A 17 0.049 5.657 1.257 1.00 1.00 H new ATOM 0 HD2 HIS A 17 2.028 6.435 2.534 1.00 1.00 H new ATOM 0 HE1 HIS A 17 0.333 8.028 6.090 1.00 1.00 H new ATOM 0 HE2 HIS A 17 2.491 7.376 4.855 1.00 1.00 H new ATOM 247 N LYS A 18 0.760 7.483 -0.679 1.00 1.00 N ATOM 248 CA LYS A 18 1.861 8.126 -1.374 1.00 1.00 C ATOM 249 C LYS A 18 1.363 9.415 -2.029 1.00 1.00 C ATOM 250 O LYS A 18 2.136 10.349 -2.240 1.00 1.00 O ATOM 251 CB LYS A 18 2.518 7.152 -2.354 1.00 1.00 C ATOM 252 CG LYS A 18 3.388 7.898 -3.369 1.00 1.00 C ATOM 253 CD LYS A 18 4.657 7.108 -3.688 1.00 1.00 C ATOM 254 CE LYS A 18 5.907 7.962 -3.461 1.00 1.00 C ATOM 255 NZ LYS A 18 6.837 7.835 -4.605 1.00 1.00 N ATOM 0 H LYS A 18 0.665 6.484 -0.863 1.00 1.00 H new ATOM 0 HA LYS A 18 2.643 8.409 -0.669 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.128 6.434 -1.805 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.749 6.583 -2.877 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.821 8.067 -4.284 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.655 8.878 -2.974 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.702 6.217 -3.061 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.627 6.768 -4.723 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.622 9.006 -3.330 1.00 1.00 H new ATOM 0 HE3 LYS A 18 6.406 7.650 -2.543 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 7.679 8.421 -4.434 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 7.123 6.841 -4.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.364 8.154 -5.474 1.00 1.00 H new ATOM 268 N ALA A 19 0.073 9.426 -2.334 1.00 1.00 N ATOM 269 CA ALA A 19 -0.538 10.585 -2.961 1.00 1.00 C ATOM 270 C ALA A 19 -0.787 11.661 -1.902 1.00 1.00 C ATOM 271 O ALA A 19 -0.583 12.847 -2.148 1.00 1.00 O ATOM 272 CB ALA A 19 -1.823 10.161 -3.675 1.00 1.00 C ATOM 0 H ALA A 19 -0.565 8.650 -2.158 1.00 1.00 H new ATOM 0 HA ALA A 19 0.127 11.010 -3.712 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.282 11.031 -4.146 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.588 9.418 -4.437 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.516 9.732 -2.952 1.00 1.00 H new ATOM 278 N HIS A 20 -1.230 11.205 -0.730 1.00 1.00 N ATOM 279 CA HIS A 20 -1.523 12.081 0.400 1.00 1.00 C ATOM 280 C HIS A 20 -0.218 12.434 1.137 1.00 1.00 C ATOM 281 O HIS A 20 -0.259 12.913 2.269 1.00 1.00 O ATOM 282 CB HIS A 20 -2.587 11.411 1.284 1.00 1.00 C ATOM 283 CG HIS A 20 -4.029 11.609 0.879 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.574 10.983 -0.169 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.025 12.387 1.419 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.860 11.356 -0.276 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.190 12.222 0.680 1.00 1.00 N ATOM 0 H HIS A 20 -1.395 10.217 -0.539 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.942 13.032 0.071 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.384 10.340 1.308 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.466 11.781 2.302 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.092 10.329 -0.786 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.919 13.027 2.283 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.538 11.000 -1.038 1.00 1.00 H new ATOM 295 N GLN A 21 0.896 12.188 0.465 1.00 1.00 N ATOM 296 CA GLN A 21 2.198 12.475 1.043 1.00 1.00 C ATOM 297 C GLN A 21 2.751 13.785 0.478 1.00 1.00 C ATOM 298 O GLN A 21 3.734 14.320 0.991 1.00 1.00 O ATOM 299 CB GLN A 21 3.172 11.320 0.804 1.00 1.00 C ATOM 300 CG GLN A 21 3.637 10.712 2.129 1.00 1.00 C ATOM 301 CD GLN A 21 3.727 9.188 2.032 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.456 8.556 3.170 1.00 1.00 O flip ATOM 303 NE2 GLN A 21 4.022 8.623 0.991 1.00 1.00 N flip ATOM 0 H GLN A 21 0.924 11.793 -0.475 1.00 1.00 H new ATOM 0 HA GLN A 21 2.079 12.588 2.121 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.691 10.553 0.197 1.00 1.00 H new ATOM 0 HB3 GLN A 21 4.034 11.677 0.241 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.611 11.121 2.399 1.00 1.00 H new ATOM 0 HG3 GLN A 21 2.944 10.989 2.923 1.00 1.00 H new ATOM 0 HE21 GLN A 21 4.218 9.169 0.152 1.00 1.00 H new ATOM 0 HE22 GLN A 21 4.072 7.605 0.960 1.00 1.00 H new ATOM 311 N LYS A 22 2.097 14.264 -0.570 1.00 1.00 N ATOM 312 CA LYS A 22 2.512 15.501 -1.210 1.00 1.00 C ATOM 313 C LYS A 22 1.411 16.550 -1.043 1.00 1.00 C ATOM 314 O LYS A 22 1.685 17.749 -1.048 1.00 1.00 O ATOM 315 CB LYS A 22 2.902 15.246 -2.667 1.00 1.00 C ATOM 316 CG LYS A 22 4.423 15.235 -2.833 1.00 1.00 C ATOM 317 CD LYS A 22 4.856 14.182 -3.855 1.00 1.00 C ATOM 318 CE LYS A 22 4.437 14.585 -5.270 1.00 1.00 C ATOM 319 NZ LYS A 22 3.536 13.568 -5.855 1.00 1.00 N ATOM 0 H LYS A 22 1.283 13.818 -0.992 1.00 1.00 H new ATOM 0 HA LYS A 22 3.407 15.897 -0.730 1.00 1.00 H new ATOM 0 HB2 LYS A 22 2.490 14.292 -2.996 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.469 16.017 -3.304 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.764 16.219 -3.153 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.896 15.030 -1.872 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.938 14.055 -3.815 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.412 13.219 -3.601 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.935 15.552 -5.245 1.00 1.00 H new ATOM 0 HE3 LYS A 22 5.320 14.700 -5.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.262 13.858 -6.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.027 12.652 -5.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.685 13.478 -5.265 1.00 1.00 H new ATOM 332 N ALA A 23 0.188 16.061 -0.900 1.00 1.00 N ATOM 333 CA ALA A 23 -0.956 16.941 -0.731 1.00 1.00 C ATOM 334 C ALA A 23 -0.863 17.635 0.628 1.00 1.00 C ATOM 335 O ALA A 23 -1.658 18.525 0.930 1.00 1.00 O ATOM 336 CB ALA A 23 -2.247 16.136 -0.889 1.00 1.00 C ATOM 0 H ALA A 23 -0.036 15.066 -0.898 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.961 17.717 -1.497 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -3.105 16.796 -0.762 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -2.277 15.688 -1.882 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -2.280 15.349 -0.135 1.00 1.00 H new ATOM 391 N LYS A 28 1.506 15.233 9.261 1.00 1.00 N ATOM 392 CA LYS A 28 1.484 15.417 10.702 1.00 1.00 C ATOM 393 C LYS A 28 0.100 15.909 11.128 1.00 1.00 C ATOM 394 O LYS A 28 -0.204 15.963 12.319 1.00 1.00 O ATOM 395 CB LYS A 28 2.625 16.336 11.142 1.00 1.00 C ATOM 396 CG LYS A 28 2.868 16.227 12.648 1.00 1.00 C ATOM 397 CD LYS A 28 2.006 17.231 13.417 1.00 1.00 C ATOM 398 CE LYS A 28 2.856 18.374 13.971 1.00 1.00 C ATOM 399 NZ LYS A 28 2.069 19.196 14.916 1.00 1.00 N ATOM 0 HA LYS A 28 1.656 14.468 11.210 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.536 16.074 10.603 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.387 17.367 10.882 1.00 1.00 H new ATOM 0 HG2 LYS A 28 2.641 15.215 12.984 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.921 16.406 12.864 1.00 1.00 H new ATOM 0 HD2 LYS A 28 1.235 17.632 12.759 1.00 1.00 H new ATOM 0 HD3 LYS A 28 1.494 16.724 14.235 1.00 1.00 H new ATOM 0 HE2 LYS A 28 3.734 17.970 14.475 1.00 1.00 H new ATOM 0 HE3 LYS A 28 3.217 18.996 13.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 2.662 19.968 15.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.245 19.597 14.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.746 18.603 15.707 1.00 1.00 H new ATOM 412 N LYS A 29 -0.703 16.254 10.132 1.00 1.00 N ATOM 413 CA LYS A 29 -2.048 16.739 10.389 1.00 1.00 C ATOM 414 C LYS A 29 -2.926 15.575 10.852 1.00 1.00 C ATOM 415 O LYS A 29 -3.792 15.747 11.709 1.00 1.00 O ATOM 416 CB LYS A 29 -2.596 17.474 9.165 1.00 1.00 C ATOM 417 CG LYS A 29 -3.787 18.358 9.542 1.00 1.00 C ATOM 418 CD LYS A 29 -4.138 19.319 8.406 1.00 1.00 C ATOM 419 CE LYS A 29 -3.101 20.439 8.295 1.00 1.00 C ATOM 420 NZ LYS A 29 -3.302 21.440 9.366 1.00 1.00 N ATOM 0 H LYS A 29 -0.448 16.207 9.146 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.040 17.473 11.195 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.810 18.086 8.722 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.901 16.751 8.409 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.649 17.733 9.774 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.553 18.925 10.443 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -4.190 18.772 7.465 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -5.125 19.748 8.580 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.097 20.021 8.364 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -3.180 20.920 7.320 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.694 22.265 9.189 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.298 21.740 9.379 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -3.055 21.020 10.285 1.00 1.00 H new ATOM 433 N CYS A 30 -2.673 14.415 10.264 1.00 1.00 N ATOM 434 CA CYS A 30 -3.429 13.221 10.604 1.00 1.00 C ATOM 435 C CYS A 30 -2.660 12.457 11.684 1.00 1.00 C ATOM 436 O CYS A 30 -3.255 11.881 12.593 1.00 1.00 O ATOM 437 CB CYS A 30 -3.701 12.353 9.374 1.00 1.00 C ATOM 438 SG CYS A 30 -3.863 13.407 7.888 1.00 1.00 S ATOM 0 H CYS A 30 -1.954 14.276 9.554 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.408 13.505 10.989 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.890 11.638 9.236 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.613 11.775 9.521 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.092 12.660 6.849 1.00 1.00 H new ATOM 443 N HIS A 31 -1.333 12.474 11.550 1.00 1.00 N ATOM 444 CA HIS A 31 -0.435 11.802 12.482 1.00 1.00 C ATOM 445 C HIS A 31 0.050 12.800 13.549 1.00 1.00 C ATOM 446 O HIS A 31 1.251 12.919 13.784 1.00 1.00 O ATOM 447 CB HIS A 31 0.693 11.130 11.686 1.00 1.00 C ATOM 448 CG HIS A 31 0.278 10.162 10.602 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.672 9.240 10.785 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.718 10.007 9.309 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.818 8.536 9.652 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.016 8.969 8.707 1.00 1.00 N ATOM 0 H HIS A 31 -0.853 12.956 10.790 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.947 11.010 13.029 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.299 11.912 11.229 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.335 10.599 12.389 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -1.200 9.095 11.646 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.488 10.598 8.835 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -1.519 7.725 9.523 1.00 1.00 H new ATOM 460 N GLU A 32 -0.906 13.484 14.161 1.00 1.00 N ATOM 461 CA GLU A 32 -0.586 14.459 15.190 1.00 1.00 C ATOM 462 C GLU A 32 0.522 13.926 16.101 1.00 1.00 C ATOM 463 O GLU A 32 1.565 14.559 16.252 1.00 1.00 O ATOM 464 CB GLU A 32 -1.829 14.829 16.000 1.00 1.00 C ATOM 465 CG GLU A 32 -1.543 16.000 16.942 1.00 1.00 C ATOM 466 CD GLU A 32 -1.969 17.328 16.313 1.00 1.00 C ATOM 467 OE1 GLU A 32 -2.959 17.371 15.568 1.00 1.00 O ATOM 468 OE2 GLU A 32 -1.231 18.340 16.622 1.00 1.00 O ATOM 0 H GLU A 32 -1.902 13.382 13.964 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.226 15.365 14.704 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.643 15.092 15.324 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -2.161 13.966 16.577 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.074 15.852 17.883 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.479 16.030 17.178 1.00 1.00 H new ATOM 476 N LYS A 33 0.258 12.765 16.684 1.00 1.00 N ATOM 477 CA LYS A 33 1.220 12.139 17.575 1.00 1.00 C ATOM 478 C LYS A 33 2.436 11.681 16.767 1.00 1.00 C ATOM 479 O LYS A 33 3.563 12.074 17.059 1.00 1.00 O ATOM 480 CB LYS A 33 0.556 11.018 18.378 1.00 1.00 C ATOM 481 CG LYS A 33 1.332 10.731 19.664 1.00 1.00 C ATOM 482 CD LYS A 33 1.178 9.269 20.083 1.00 1.00 C ATOM 483 CE LYS A 33 0.899 9.154 21.584 1.00 1.00 C ATOM 484 NZ LYS A 33 2.096 8.656 22.297 1.00 1.00 N ATOM 0 H LYS A 33 -0.608 12.242 16.556 1.00 1.00 H new ATOM 0 HA LYS A 33 1.580 12.857 18.312 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.469 11.299 18.622 1.00 1.00 H new ATOM 0 HB3 LYS A 33 0.503 10.114 17.772 1.00 1.00 H new ATOM 0 HG2 LYS A 33 2.387 10.961 19.515 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.973 11.381 20.462 1.00 1.00 H new ATOM 0 HD2 LYS A 33 0.364 8.810 19.522 1.00 1.00 H new ATOM 0 HD3 LYS A 33 2.086 8.719 19.835 1.00 1.00 H new ATOM 0 HE2 LYS A 33 0.610 10.127 21.982 1.00 1.00 H new ATOM 0 HE3 LYS A 33 0.060 8.479 21.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 1.890 8.584 23.314 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 2.354 7.718 21.929 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 2.887 9.315 22.150 1.00 1.00 H new ATOM 497 N GLY A 34 2.162 10.857 15.765 1.00 1.00 N ATOM 498 CA GLY A 34 3.220 10.341 14.912 1.00 1.00 C ATOM 499 C GLY A 34 2.692 9.239 13.991 1.00 1.00 C ATOM 500 O GLY A 34 1.532 8.837 14.052 1.00 1.00 O ATOM 0 H GLY A 34 1.224 10.535 15.525 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.638 11.151 14.314 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.030 9.949 15.527 1.00 1.00 H new ATOM 504 N PRO A 35 3.583 8.754 13.124 1.00 1.00 N ATOM 505 CA PRO A 35 3.301 7.709 12.163 1.00 1.00 C ATOM 506 C PRO A 35 2.819 6.463 12.891 1.00 1.00 C ATOM 507 O PRO A 35 2.333 6.582 14.015 1.00 1.00 O ATOM 508 CB PRO A 35 4.634 7.451 11.462 1.00 1.00 C ATOM 509 CG PRO A 35 5.731 7.992 12.511 1.00 1.00 C ATOM 510 CD PRO A 35 4.955 9.203 13.024 1.00 1.00 C ATOM 0 HA PRO A 35 2.522 7.985 11.453 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.774 6.392 11.247 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.695 7.980 10.511 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.961 7.271 13.295 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.675 8.261 12.038 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.334 9.533 13.991 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.045 10.048 12.341 1.00 1.00 H new ATOM 518 N GLY A 36 2.953 5.311 12.250 1.00 1.00 N ATOM 519 CA GLY A 36 2.522 4.063 12.856 1.00 1.00 C ATOM 520 C GLY A 36 1.021 3.844 12.652 1.00 1.00 C ATOM 521 O GLY A 36 0.426 4.411 11.737 1.00 1.00 O ATOM 0 H GLY A 36 3.354 5.216 11.317 1.00 1.00 H new ATOM 0 HA2 GLY A 36 3.077 3.232 12.420 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.750 4.074 13.922 1.00 1.00 H new ATOM 525 N LYS A 37 0.453 3.021 13.520 1.00 1.00 N ATOM 526 CA LYS A 37 -0.967 2.721 13.447 1.00 1.00 C ATOM 527 C LYS A 37 -1.750 3.792 14.208 1.00 1.00 C ATOM 528 O LYS A 37 -1.444 4.089 15.362 1.00 1.00 O ATOM 529 CB LYS A 37 -1.239 1.296 13.937 1.00 1.00 C ATOM 530 CG LYS A 37 -0.700 0.263 12.946 1.00 1.00 C ATOM 531 CD LYS A 37 -0.475 -1.087 13.628 1.00 1.00 C ATOM 532 CE LYS A 37 0.527 -1.937 12.846 1.00 1.00 C ATOM 533 NZ LYS A 37 1.138 -2.959 13.726 1.00 1.00 N ATOM 0 H LYS A 37 0.950 2.552 14.278 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.310 2.750 12.413 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.774 1.148 14.911 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.311 1.152 14.071 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.402 0.145 12.121 1.00 1.00 H new ATOM 0 HG3 LYS A 37 0.237 0.619 12.518 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.109 -0.929 14.643 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -1.423 -1.619 13.710 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.026 -2.422 12.009 1.00 1.00 H new ATOM 0 HE3 LYS A 37 1.304 -1.299 12.426 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.816 -3.527 13.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 1.633 -2.490 14.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.395 -3.579 14.107 1.00 1.00 H new ATOM 546 N ILE A 38 -2.747 4.344 13.531 1.00 1.00 N ATOM 547 CA ILE A 38 -3.576 5.376 14.128 1.00 1.00 C ATOM 548 C ILE A 38 -4.441 4.756 15.227 1.00 1.00 C ATOM 549 O ILE A 38 -5.035 3.698 15.032 1.00 1.00 O ATOM 550 CB ILE A 38 -4.380 6.107 13.051 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.463 6.935 12.149 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.488 6.957 13.676 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.276 7.759 11.148 1.00 1.00 C ATOM 0 H ILE A 38 -2.999 4.095 12.574 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.956 6.137 14.601 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.863 5.361 12.421 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.850 7.599 12.759 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.781 6.275 11.613 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.044 7.466 12.889 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.164 6.315 14.241 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.046 7.696 14.344 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.600 8.338 10.519 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.869 7.091 10.524 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.939 8.436 11.687 1.00 1.00 H new ATOM 560 N GLU A 39 -4.486 5.443 16.360 1.00 1.00 N ATOM 561 CA GLU A 39 -5.268 4.974 17.490 1.00 1.00 C ATOM 562 C GLU A 39 -6.530 4.260 17.002 1.00 1.00 C ATOM 563 O GLU A 39 -7.552 4.897 16.753 1.00 1.00 O ATOM 564 CB GLU A 39 -5.621 6.128 18.430 1.00 1.00 C ATOM 565 CG GLU A 39 -5.562 5.682 19.893 1.00 1.00 C ATOM 566 CD GLU A 39 -6.944 5.756 20.544 1.00 1.00 C ATOM 567 OE1 GLU A 39 -7.763 4.842 20.365 1.00 1.00 O ATOM 568 OE2 GLU A 39 -7.156 6.808 21.258 1.00 1.00 O ATOM 0 H GLU A 39 -3.993 6.322 16.519 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.665 4.262 18.053 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -4.930 6.956 18.270 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -6.620 6.497 18.199 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -5.183 4.662 19.951 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -4.863 6.313 20.442 1.00 1.00 H new ATOM 576 N GLY A 40 -6.417 2.945 16.880 1.00 1.00 N ATOM 577 CA GLY A 40 -7.537 2.137 16.426 1.00 1.00 C ATOM 578 C GLY A 40 -8.494 2.962 15.563 1.00 1.00 C ATOM 579 O GLY A 40 -9.469 3.516 16.069 1.00 1.00 O ATOM 0 H GLY A 40 -5.568 2.419 17.087 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.168 1.286 15.854 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.072 1.735 17.286 1.00 1.00 H new ATOM 583 N PHE A 41 -8.182 3.018 14.277 1.00 1.00 N ATOM 584 CA PHE A 41 -9.003 3.765 13.339 1.00 1.00 C ATOM 585 C PHE A 41 -10.467 3.330 13.425 1.00 1.00 C ATOM 586 O PHE A 41 -10.759 2.174 13.727 1.00 1.00 O ATOM 587 CB PHE A 41 -8.473 3.459 11.938 1.00 1.00 C ATOM 588 CG PHE A 41 -9.270 4.122 10.812 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.548 3.731 10.563 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.699 5.101 10.062 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.288 4.346 9.518 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.439 5.718 9.017 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.717 5.327 8.768 1.00 1.00 C ATOM 0 H PHE A 41 -7.372 2.558 13.862 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.955 4.830 13.568 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.435 3.784 11.875 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.479 2.380 11.786 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.001 2.953 11.160 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.683 5.410 10.260 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.303 4.035 9.319 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.986 6.497 8.421 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.280 5.796 7.974 1.00 1.00 H new ATOM 603 N GLY A 42 -11.350 4.280 13.154 1.00 1.00 N ATOM 604 CA GLY A 42 -12.777 4.010 13.197 1.00 1.00 C ATOM 605 C GLY A 42 -13.488 4.627 11.990 1.00 1.00 C ATOM 606 O GLY A 42 -12.969 5.549 11.364 1.00 1.00 O ATOM 0 H GLY A 42 -11.105 5.238 12.904 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.947 2.933 13.213 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.199 4.413 14.118 1.00 1.00 H new ATOM 610 N LYS A 43 -14.666 4.093 11.701 1.00 1.00 N ATOM 611 CA LYS A 43 -15.454 4.579 10.581 1.00 1.00 C ATOM 612 C LYS A 43 -15.958 5.989 10.893 1.00 1.00 C ATOM 613 O LYS A 43 -15.737 6.918 10.117 1.00 1.00 O ATOM 614 CB LYS A 43 -16.568 3.588 10.239 1.00 1.00 C ATOM 615 CG LYS A 43 -16.098 2.145 10.437 1.00 1.00 C ATOM 616 CD LYS A 43 -14.769 1.899 9.720 1.00 1.00 C ATOM 617 CE LYS A 43 -13.685 1.468 10.710 1.00 1.00 C ATOM 618 NZ LYS A 43 -14.185 0.386 11.588 1.00 1.00 N ATOM 0 H LYS A 43 -15.094 3.328 12.223 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.839 4.651 9.684 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.437 3.781 10.868 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -16.884 3.733 9.206 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -15.985 1.938 11.501 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -16.853 1.457 10.057 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -14.899 1.129 8.959 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -14.456 2.807 9.205 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -12.804 1.126 10.167 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.376 2.321 11.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.393 -0.225 11.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.622 0.801 12.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.892 -0.179 11.075 1.00 1.00 H new ATOM 631 N GLU A 44 -16.627 6.106 12.030 1.00 1.00 N ATOM 632 CA GLU A 44 -17.165 7.387 12.454 1.00 1.00 C ATOM 633 C GLU A 44 -16.130 8.493 12.244 1.00 1.00 C ATOM 634 O GLU A 44 -16.480 9.618 11.888 1.00 1.00 O ATOM 635 CB GLU A 44 -17.623 7.334 13.913 1.00 1.00 C ATOM 636 CG GLU A 44 -16.469 7.664 14.862 1.00 1.00 C ATOM 637 CD GLU A 44 -15.431 6.540 14.875 1.00 1.00 C ATOM 638 OE1 GLU A 44 -15.634 5.501 14.229 1.00 1.00 O ATOM 639 OE2 GLU A 44 -14.382 6.775 15.588 1.00 1.00 O ATOM 0 H GLU A 44 -16.809 5.334 12.671 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.038 7.613 11.842 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.439 8.040 14.068 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -18.013 6.342 14.140 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.996 8.597 14.555 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.855 7.819 15.870 1.00 1.00 H new ATOM 647 N MET A 45 -14.875 8.137 12.474 1.00 1.00 N ATOM 648 CA MET A 45 -13.786 9.085 12.314 1.00 1.00 C ATOM 649 C MET A 45 -13.561 9.419 10.839 1.00 1.00 C ATOM 650 O MET A 45 -13.321 10.574 10.489 1.00 1.00 O ATOM 651 CB MET A 45 -12.503 8.495 12.906 1.00 1.00 C ATOM 652 CG MET A 45 -11.896 9.436 13.949 1.00 1.00 C ATOM 653 SD MET A 45 -12.430 8.959 15.585 1.00 1.00 S ATOM 654 CE MET A 45 -12.052 10.454 16.482 1.00 1.00 C ATOM 0 H MET A 45 -14.588 7.204 12.770 1.00 1.00 H new ATOM 0 HA MET A 45 -14.050 10.003 12.838 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.720 7.530 13.364 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.781 8.314 12.110 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.808 9.405 13.889 1.00 1.00 H new ATOM 0 HG3 MET A 45 -12.198 10.463 13.744 1.00 1.00 H new ATOM 0 HE1 MET A 45 -12.325 10.329 17.530 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.985 10.663 16.408 1.00 1.00 H new ATOM 0 HE3 MET A 45 -12.615 11.285 16.057 1.00 1.00 H new ATOM 664 N ALA A 46 -13.646 8.387 10.012 1.00 1.00 N ATOM 665 CA ALA A 46 -13.455 8.556 8.582 1.00 1.00 C ATOM 666 C ALA A 46 -14.265 9.763 8.102 1.00 1.00 C ATOM 667 O ALA A 46 -13.703 10.769 7.673 1.00 1.00 O ATOM 668 CB ALA A 46 -13.847 7.266 7.858 1.00 1.00 C ATOM 0 H ALA A 46 -13.845 7.431 10.306 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.407 8.751 8.356 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.704 7.393 6.785 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.223 6.446 8.213 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.894 7.039 8.060 1.00 1.00 H new ATOM 674 N HIS A 47 -15.588 9.625 8.192 1.00 1.00 N ATOM 675 CA HIS A 47 -16.522 10.668 7.784 1.00 1.00 C ATOM 676 C HIS A 47 -16.335 11.911 8.673 1.00 1.00 C ATOM 677 O HIS A 47 -16.850 12.982 8.354 1.00 1.00 O ATOM 678 CB HIS A 47 -17.946 10.092 7.795 1.00 1.00 C ATOM 679 CG HIS A 47 -18.127 8.715 7.197 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.691 7.708 7.868 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.795 8.214 5.961 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.712 6.621 7.081 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.171 6.877 5.892 1.00 1.00 N ATOM 0 H HIS A 47 -16.040 8.784 8.551 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.327 11.002 6.765 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.293 10.063 8.828 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.597 10.783 7.260 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.317 8.771 5.168 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.115 5.663 7.374 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.058 6.236 5.107 1.00 1.00 H new ATOM 691 N GLY A 48 -15.603 11.725 9.760 1.00 1.00 N ATOM 692 CA GLY A 48 -15.347 12.816 10.687 1.00 1.00 C ATOM 693 C GLY A 48 -14.376 13.833 10.081 1.00 1.00 C ATOM 694 O GLY A 48 -14.613 14.347 8.989 1.00 1.00 O ATOM 0 H GLY A 48 -15.178 10.835 10.021 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.285 13.310 10.941 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.933 12.421 11.615 1.00 1.00 H new ATOM 698 N LYS A 49 -13.306 14.091 10.817 1.00 1.00 N ATOM 699 CA LYS A 49 -12.299 15.037 10.366 1.00 1.00 C ATOM 700 C LYS A 49 -10.970 14.306 10.169 1.00 1.00 C ATOM 701 O LYS A 49 -9.929 14.766 10.634 1.00 1.00 O ATOM 702 CB LYS A 49 -12.212 16.224 11.327 1.00 1.00 C ATOM 703 CG LYS A 49 -10.997 17.099 11.009 1.00 1.00 C ATOM 704 CD LYS A 49 -11.264 18.561 11.371 1.00 1.00 C ATOM 705 CE LYS A 49 -9.977 19.385 11.307 1.00 1.00 C ATOM 706 NZ LYS A 49 -9.881 20.098 10.014 1.00 1.00 N ATOM 0 H LYS A 49 -13.114 13.662 11.722 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.577 15.458 9.400 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -13.122 16.820 11.258 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -12.145 15.862 12.353 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -10.129 16.737 11.560 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -10.756 17.021 9.949 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -12.003 18.980 10.687 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -11.688 18.620 12.373 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.957 20.103 12.127 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.114 18.732 11.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -8.927 20.499 9.909 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -10.065 19.433 9.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -10.583 20.864 9.987 1.00 1.00 H new ATOM 719 N GLY A 50 -11.049 13.178 9.478 1.00 1.00 N ATOM 720 CA GLY A 50 -9.865 12.378 9.214 1.00 1.00 C ATOM 721 C GLY A 50 -10.021 11.579 7.919 1.00 1.00 C ATOM 722 O GLY A 50 -9.416 10.519 7.762 1.00 1.00 O ATOM 0 H GLY A 50 -11.914 12.799 9.093 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.992 13.027 9.142 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.689 11.697 10.047 1.00 1.00 H new ATOM 726 N CYS A 51 -10.835 12.118 7.023 1.00 1.00 N ATOM 727 CA CYS A 51 -11.079 11.469 5.746 1.00 1.00 C ATOM 728 C CYS A 51 -11.881 12.428 4.865 1.00 1.00 C ATOM 729 O CYS A 51 -11.368 12.941 3.872 1.00 1.00 O ATOM 730 CB CYS A 51 -11.789 10.125 5.921 1.00 1.00 C ATOM 731 SG CYS A 51 -11.206 8.798 4.804 1.00 1.00 S ATOM 0 H CYS A 51 -11.334 12.997 7.156 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.129 11.243 5.263 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.662 9.795 6.952 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.857 10.271 5.762 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.873 7.707 5.041 1.00 1.00 H new ATOM 736 N LYS A 52 -13.127 12.642 5.260 1.00 1.00 N ATOM 737 CA LYS A 52 -14.006 13.531 4.519 1.00 1.00 C ATOM 738 C LYS A 52 -13.891 14.946 5.088 1.00 1.00 C ATOM 739 O LYS A 52 -13.573 15.887 4.361 1.00 1.00 O ATOM 740 CB LYS A 52 -15.436 12.986 4.510 1.00 1.00 C ATOM 741 CG LYS A 52 -16.259 13.622 3.388 1.00 1.00 C ATOM 742 CD LYS A 52 -17.672 13.959 3.868 1.00 1.00 C ATOM 743 CE LYS A 52 -17.889 15.472 3.915 1.00 1.00 C ATOM 744 NZ LYS A 52 -17.320 16.039 5.159 1.00 1.00 N ATOM 0 H LYS A 52 -13.549 12.215 6.084 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.702 13.582 3.473 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.416 11.904 4.382 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.910 13.184 5.471 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.764 14.528 3.038 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.312 12.940 2.540 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -18.404 13.504 3.202 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.834 13.534 4.858 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -17.422 15.939 3.048 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.955 15.694 3.861 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -17.776 16.951 5.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -17.486 15.382 5.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -16.297 16.183 5.039 1.00 1.00 H new ATOM 757 N GLY A 53 -14.156 15.053 6.381 1.00 1.00 N ATOM 758 CA GLY A 53 -14.085 16.338 7.055 1.00 1.00 C ATOM 759 C GLY A 53 -12.995 17.219 6.444 1.00 1.00 C ATOM 760 O GLY A 53 -13.237 18.382 6.123 1.00 1.00 O ATOM 0 H GLY A 53 -14.420 14.271 6.980 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.048 16.843 6.984 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.882 16.186 8.115 1.00 1.00 H new ATOM 764 N CYS A 54 -11.815 16.632 6.301 1.00 1.00 N ATOM 765 CA CYS A 54 -10.685 17.349 5.735 1.00 1.00 C ATOM 766 C CYS A 54 -11.144 18.021 4.438 1.00 1.00 C ATOM 767 O CYS A 54 -11.256 19.242 4.367 1.00 1.00 O ATOM 768 CB CYS A 54 -9.487 16.426 5.506 1.00 1.00 C ATOM 769 SG CYS A 54 -7.997 17.125 6.305 1.00 1.00 S ATOM 0 H CYS A 54 -11.617 15.667 6.568 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.345 18.110 6.437 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.697 15.436 5.912 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.312 16.302 4.437 1.00 1.00 H new ATOM 0 HG CYS A 54 -7.550 18.119 5.596 1.00 1.00 H new ATOM 774 N HIS A 55 -11.402 17.185 3.432 1.00 1.00 N ATOM 775 CA HIS A 55 -11.851 17.640 2.120 1.00 1.00 C ATOM 776 C HIS A 55 -12.872 18.780 2.286 1.00 1.00 C ATOM 777 O HIS A 55 -12.764 19.809 1.621 1.00 1.00 O ATOM 778 CB HIS A 55 -12.373 16.433 1.327 1.00 1.00 C ATOM 779 CG HIS A 55 -11.473 15.221 1.263 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.940 13.972 1.354 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.111 15.109 1.114 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.910 13.116 1.265 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.757 13.766 1.115 1.00 1.00 N ATOM 0 H HIS A 55 -11.305 16.172 3.506 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.030 18.062 1.541 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.325 16.127 1.761 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.578 16.759 0.307 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.424 15.936 1.012 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -11.004 12.041 1.309 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -8.823 13.367 1.022 1.00 1.00 H new ATOM 791 N GLU A 56 -13.832 18.556 3.172 1.00 1.00 N ATOM 792 CA GLU A 56 -14.861 19.549 3.428 1.00 1.00 C ATOM 793 C GLU A 56 -14.230 20.852 3.922 1.00 1.00 C ATOM 794 O GLU A 56 -14.681 21.940 3.565 1.00 1.00 O ATOM 795 CB GLU A 56 -15.893 19.026 4.428 1.00 1.00 C ATOM 796 CG GLU A 56 -16.805 20.153 4.917 1.00 1.00 C ATOM 797 CD GLU A 56 -18.252 19.672 5.042 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.937 19.495 4.025 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.659 19.480 6.251 1.00 1.00 O ATOM 0 H GLU A 56 -13.918 17.701 3.721 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.382 19.752 2.492 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.493 18.245 3.961 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.383 18.572 5.278 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.454 20.516 5.883 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -16.756 20.992 4.223 1.00 1.00 H new ATOM 807 N GLU A 57 -13.196 20.700 4.737 1.00 1.00 N ATOM 808 CA GLU A 57 -12.498 21.851 5.284 1.00 1.00 C ATOM 809 C GLU A 57 -11.262 22.173 4.441 1.00 1.00 C ATOM 810 O GLU A 57 -10.476 23.050 4.795 1.00 1.00 O ATOM 811 CB GLU A 57 -12.117 21.617 6.747 1.00 1.00 C ATOM 812 CG GLU A 57 -12.358 22.875 7.584 1.00 1.00 C ATOM 813 CD GLU A 57 -12.541 22.523 9.062 1.00 1.00 C ATOM 814 OE1 GLU A 57 -11.616 21.991 9.692 1.00 1.00 O ATOM 815 OE2 GLU A 57 -13.695 22.824 9.555 1.00 1.00 O ATOM 0 H GLU A 57 -12.825 19.797 5.032 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.170 22.708 5.250 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.701 20.790 7.151 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -11.068 21.328 6.812 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -11.516 23.558 7.471 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -13.243 23.396 7.218 1.00 1.00 H new ATOM 823 N MET A 58 -11.130 21.446 3.341 1.00 1.00 N ATOM 824 CA MET A 58 -10.004 21.644 2.445 1.00 1.00 C ATOM 825 C MET A 58 -10.481 21.924 1.018 1.00 1.00 C ATOM 826 O MET A 58 -9.669 22.067 0.105 1.00 1.00 O ATOM 827 CB MET A 58 -9.120 20.394 2.452 1.00 1.00 C ATOM 828 CG MET A 58 -7.638 20.771 2.504 1.00 1.00 C ATOM 829 SD MET A 58 -6.884 20.081 3.967 1.00 1.00 S ATOM 830 CE MET A 58 -5.462 21.150 4.115 1.00 1.00 C ATOM 0 H MET A 58 -11.784 20.719 3.050 1.00 1.00 H new ATOM 0 HA MET A 58 -9.434 22.505 2.793 1.00 1.00 H new ATOM 0 HB2 MET A 58 -9.371 19.772 3.311 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.317 19.800 1.559 1.00 1.00 H new ATOM 0 HG2 MET A 58 -7.129 20.402 1.614 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.530 21.856 2.506 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.875 20.856 4.985 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.848 21.065 3.218 1.00 1.00 H new ATOM 0 HE3 MET A 58 -5.793 22.182 4.232 1.00 1.00 H new ATOM 840 N LYS A 59 -11.795 21.993 0.871 1.00 1.00 N ATOM 841 CA LYS A 59 -12.390 22.254 -0.429 1.00 1.00 C ATOM 842 C LYS A 59 -11.611 21.493 -1.503 1.00 1.00 C ATOM 843 O LYS A 59 -11.541 21.929 -2.651 1.00 1.00 O ATOM 844 CB LYS A 59 -12.479 23.760 -0.685 1.00 1.00 C ATOM 845 CG LYS A 59 -13.501 24.414 0.248 1.00 1.00 C ATOM 846 CD LYS A 59 -13.355 25.938 0.237 1.00 1.00 C ATOM 847 CE LYS A 59 -14.221 26.564 -0.857 1.00 1.00 C ATOM 848 NZ LYS A 59 -13.791 27.955 -1.125 1.00 1.00 N ATOM 0 H LYS A 59 -12.465 21.873 1.630 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.416 21.888 -0.459 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.500 24.217 -0.536 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -12.760 23.940 -1.723 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.509 24.139 -0.061 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.365 24.039 1.262 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -13.642 26.341 1.208 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -12.311 26.206 0.077 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.149 25.972 -1.770 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.267 26.553 -0.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -14.389 28.366 -1.870 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -13.883 28.520 -0.257 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -12.799 27.958 -1.437 1.00 1.00 H new ATOM 861 N LYS A 60 -11.044 20.368 -1.093 1.00 1.00 N ATOM 862 CA LYS A 60 -10.272 19.542 -2.005 1.00 1.00 C ATOM 863 C LYS A 60 -10.567 18.068 -1.725 1.00 1.00 C ATOM 864 O LYS A 60 -10.757 17.676 -0.574 1.00 1.00 O ATOM 865 CB LYS A 60 -8.787 19.898 -1.925 1.00 1.00 C ATOM 866 CG LYS A 60 -8.316 20.583 -3.210 1.00 1.00 C ATOM 867 CD LYS A 60 -8.586 22.088 -3.159 1.00 1.00 C ATOM 868 CE LYS A 60 -9.445 22.531 -4.344 1.00 1.00 C ATOM 869 NZ LYS A 60 -10.036 23.863 -4.086 1.00 1.00 N ATOM 0 H LYS A 60 -11.104 20.009 -0.140 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.567 19.736 -3.036 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.613 20.556 -1.073 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.202 18.994 -1.755 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -7.250 20.406 -3.351 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.828 20.147 -4.068 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.090 22.339 -2.226 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.641 22.631 -3.167 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.838 22.565 -5.248 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.237 21.803 -4.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -10.353 24.282 -4.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.848 23.764 -3.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.323 24.480 -3.648 1.00 1.00 H new ATOM 882 N GLY A 61 -10.597 17.289 -2.797 1.00 1.00 N ATOM 883 CA GLY A 61 -10.865 15.865 -2.681 1.00 1.00 C ATOM 884 C GLY A 61 -12.340 15.561 -2.950 1.00 1.00 C ATOM 885 O GLY A 61 -13.159 16.450 -3.173 1.00 1.00 O ATOM 0 H GLY A 61 -10.440 17.617 -3.750 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.242 15.315 -3.387 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.595 15.521 -1.683 1.00 1.00 H new ATOM 889 N PRO A 62 -12.664 14.267 -2.923 1.00 1.00 N ATOM 890 CA PRO A 62 -13.999 13.755 -3.148 1.00 1.00 C ATOM 891 C PRO A 62 -14.726 13.622 -1.818 1.00 1.00 C ATOM 892 O PRO A 62 -14.093 13.253 -0.829 1.00 1.00 O ATOM 893 CB PRO A 62 -13.789 12.388 -3.796 1.00 1.00 C ATOM 894 CG PRO A 62 -12.276 11.996 -3.432 1.00 1.00 C ATOM 895 CD PRO A 62 -11.727 13.196 -2.664 1.00 1.00 C ATOM 0 HA PRO A 62 -14.604 14.408 -3.777 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.494 11.653 -3.407 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.938 12.433 -4.875 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.238 11.090 -2.827 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.692 11.803 -4.332 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.656 12.983 -1.597 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.725 13.457 -3.004 1.00 1.00 H new ATOM 903 N THR A 63 -16.016 13.920 -1.814 1.00 1.00 N ATOM 904 CA THR A 63 -16.802 13.828 -0.595 1.00 1.00 C ATOM 905 C THR A 63 -17.907 12.781 -0.750 1.00 1.00 C ATOM 906 O THR A 63 -18.367 12.208 0.236 1.00 1.00 O ATOM 907 CB THR A 63 -17.331 15.226 -0.267 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.912 15.673 -1.489 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.207 16.229 0.001 1.00 1.00 C ATOM 0 H THR A 63 -16.538 14.226 -2.636 1.00 1.00 H new ATOM 0 HA THR A 63 -16.193 13.490 0.243 1.00 1.00 H new ATOM 0 HB THR A 63 -17.984 15.172 0.604 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.282 16.572 -1.366 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.637 17.205 0.229 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.610 15.889 0.847 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.573 16.309 -0.882 1.00 1.00 H new ATOM 915 N LYS A 64 -18.301 12.564 -1.996 1.00 1.00 N ATOM 916 CA LYS A 64 -19.343 11.596 -2.294 1.00 1.00 C ATOM 917 C LYS A 64 -18.884 10.206 -1.848 1.00 1.00 C ATOM 918 O LYS A 64 -17.688 9.953 -1.726 1.00 1.00 O ATOM 919 CB LYS A 64 -19.737 11.669 -3.771 1.00 1.00 C ATOM 920 CG LYS A 64 -20.536 12.941 -4.063 1.00 1.00 C ATOM 921 CD LYS A 64 -19.669 13.983 -4.773 1.00 1.00 C ATOM 922 CE LYS A 64 -20.023 15.398 -4.310 1.00 1.00 C ATOM 923 NZ LYS A 64 -20.794 16.107 -5.356 1.00 1.00 N ATOM 0 H LYS A 64 -17.917 13.042 -2.811 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.249 11.828 -1.735 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.841 11.647 -4.392 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.330 10.794 -4.037 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -21.399 12.698 -4.683 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.919 13.356 -3.131 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -18.616 13.783 -4.572 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -19.808 13.904 -5.851 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -20.605 15.351 -3.390 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -19.112 15.952 -4.083 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -21.026 17.066 -5.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -20.226 16.168 -6.225 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -21.672 15.586 -5.553 1.00 1.00 H new ATOM 936 N CYS A 65 -19.862 9.341 -1.617 1.00 1.00 N ATOM 937 CA CYS A 65 -19.573 7.984 -1.187 1.00 1.00 C ATOM 938 C CYS A 65 -18.962 7.226 -2.368 1.00 1.00 C ATOM 939 O CYS A 65 -17.802 6.821 -2.317 1.00 1.00 O ATOM 940 CB CYS A 65 -20.822 7.285 -0.645 1.00 1.00 C ATOM 941 SG CYS A 65 -22.147 8.412 -0.077 1.00 1.00 S ATOM 0 H CYS A 65 -20.854 9.554 -1.720 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.861 8.005 -0.362 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.225 6.637 -1.423 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.530 6.643 0.186 1.00 1.00 H new ATOM 0 HG CYS A 65 -23.154 7.714 0.358 1.00 1.00 H new ATOM 946 N GLY A 66 -19.771 7.057 -3.404 1.00 1.00 N ATOM 947 CA GLY A 66 -19.324 6.355 -4.596 1.00 1.00 C ATOM 948 C GLY A 66 -17.878 6.719 -4.936 1.00 1.00 C ATOM 949 O GLY A 66 -17.164 5.929 -5.551 1.00 1.00 O ATOM 0 H GLY A 66 -20.733 7.394 -3.443 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.405 5.279 -4.441 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.973 6.606 -5.435 1.00 1.00 H new ATOM 953 N GLU A 67 -17.489 7.915 -4.522 1.00 1.00 N ATOM 954 CA GLU A 67 -16.140 8.394 -4.775 1.00 1.00 C ATOM 955 C GLU A 67 -15.143 7.677 -3.864 1.00 1.00 C ATOM 956 O GLU A 67 -14.068 7.277 -4.307 1.00 1.00 O ATOM 957 CB GLU A 67 -16.054 9.910 -4.598 1.00 1.00 C ATOM 958 CG GLU A 67 -16.875 10.636 -5.666 1.00 1.00 C ATOM 959 CD GLU A 67 -16.124 10.680 -6.998 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.825 11.772 -7.505 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.850 9.528 -7.508 1.00 1.00 O ATOM 0 H GLU A 67 -18.084 8.568 -4.012 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.883 8.168 -5.810 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.416 10.185 -3.607 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -15.013 10.228 -4.657 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.832 10.131 -5.800 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -17.094 11.651 -5.334 1.00 1.00 H new ATOM 969 N CYS A 68 -15.535 7.536 -2.606 1.00 1.00 N ATOM 970 CA CYS A 68 -14.689 6.874 -1.628 1.00 1.00 C ATOM 971 C CYS A 68 -14.973 5.371 -1.685 1.00 1.00 C ATOM 972 O CYS A 68 -14.054 4.558 -1.748 1.00 1.00 O ATOM 973 CB CYS A 68 -14.897 7.442 -0.222 1.00 1.00 C ATOM 974 SG CYS A 68 -13.586 8.658 0.163 1.00 1.00 S ATOM 0 H CYS A 68 -16.428 7.869 -2.242 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.641 7.054 -1.869 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.876 7.917 -0.154 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.882 6.635 0.511 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.774 9.135 1.358 1.00 1.00 H new ATOM 979 N HIS A 69 -16.265 5.042 -1.659 1.00 1.00 N ATOM 980 CA HIS A 69 -16.729 3.660 -1.705 1.00 1.00 C ATOM 981 C HIS A 69 -16.998 3.249 -3.165 1.00 1.00 C ATOM 982 O HIS A 69 -17.317 4.097 -3.997 1.00 1.00 O ATOM 983 CB HIS A 69 -17.942 3.512 -0.774 1.00 1.00 C ATOM 984 CG HIS A 69 -17.705 3.771 0.696 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.994 2.944 1.467 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.114 4.799 1.512 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.960 3.436 2.715 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.636 4.581 2.798 1.00 1.00 N ATOM 0 H HIS A 69 -17.018 5.728 -1.605 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.967 2.971 -1.339 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.720 4.193 -1.118 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.333 2.500 -0.883 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.549 2.080 1.158 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.712 5.643 1.202 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.451 2.965 3.543 1.00 1.00 H new ATOM 996 N LYS A 70 -16.859 1.957 -3.424 1.00 1.00 N ATOM 997 CA LYS A 70 -17.084 1.434 -4.762 1.00 1.00 C ATOM 998 C LYS A 70 -18.021 0.228 -4.682 1.00 1.00 C ATOM 999 O LYS A 70 -17.700 -0.771 -4.040 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.750 1.132 -5.450 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.272 2.334 -6.267 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.312 1.896 -7.376 1.00 1.00 C ATOM 1003 CE LYS A 70 -12.857 2.123 -6.964 1.00 1.00 C ATOM 1004 NZ LYS A 70 -12.014 0.984 -7.392 1.00 1.00 N ATOM 0 H LYS A 70 -16.594 1.257 -2.731 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.577 2.180 -5.385 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.000 0.875 -4.702 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.860 0.265 -6.102 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.130 2.845 -6.704 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -14.775 3.049 -5.612 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -14.469 0.841 -7.602 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.526 2.453 -8.288 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -12.486 3.046 -7.410 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -12.794 2.244 -5.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -11.029 1.154 -7.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -12.359 0.110 -6.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -12.061 0.887 -8.426 1.00 1.00 H new ATOM 1017 N LYS A 71 -19.161 0.360 -5.345 1.00 1.00 N ATOM 1018 CA LYS A 71 -20.148 -0.707 -5.357 1.00 1.00 C ATOM 1019 C LYS A 71 -21.043 -0.552 -6.587 1.00 1.00 C ATOM 1020 O LYS A 71 -20.562 -0.247 -7.677 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.917 -0.740 -4.035 1.00 1.00 C ATOM 1022 CG LYS A 71 -22.149 -1.641 -4.140 1.00 1.00 C ATOM 1023 CD LYS A 71 -23.404 -0.914 -3.652 1.00 1.00 C ATOM 1024 CE LYS A 71 -23.772 -1.348 -2.233 1.00 1.00 C ATOM 1025 NZ LYS A 71 -25.119 -1.964 -2.211 1.00 1.00 N ATOM 0 H LYS A 71 -19.423 1.189 -5.878 1.00 1.00 H new ATOM 0 HA LYS A 71 -19.660 -1.678 -5.438 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.265 -1.101 -3.240 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.223 0.270 -3.763 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -22.286 -1.956 -5.174 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -21.995 -2.544 -3.549 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -23.237 0.163 -3.675 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -24.235 -1.122 -4.327 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.034 -2.059 -1.861 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -23.749 -0.487 -1.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -25.353 -2.253 -1.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -25.822 -1.274 -2.546 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -25.130 -2.798 -2.832 1.00 1.00 H new