USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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= -3.53! C(o=-3.1!,f=-3!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.461 K(o=-3.1,f=-12!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.72! C(o=-0.81!,f=-5.1!) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -0.089 X(o=-0.81,f=-0.81) USER MOD Set 3.1: A 20 HIS : no HD1:sc= -0.533 K(o=-0.058,f=-2.1) USER MOD Set 3.2: A 55 HIS : no HE2:sc= 0.475 K(o=-0.058,f=-3.2!) 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= -0.0624 X(o=-0.062,f=-0.2) 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 21 GLN : amide:sc= -1.04! K(o=-1!,f=-1.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0.0082 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 USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= -0.0366 (180deg=-0.252) 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 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.021 (180deg=-0.238) USER MOD Single : A 51 CYS SG : rot 180:sc= -0.0967 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 152:sc= 0.00735 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.118 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.122 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0334) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 4.161 11.191 4.762 1.00 0.00 N ATOM 12 CA ASP A 2 3.466 9.917 4.834 1.00 0.00 C ATOM 13 C ASP A 2 2.439 9.836 3.702 1.00 0.00 C ATOM 14 O ASP A 2 2.343 8.818 3.018 1.00 0.00 O ATOM 15 CB ASP A 2 2.718 9.772 6.161 1.00 0.00 C ATOM 16 CG ASP A 2 2.955 10.903 7.164 1.00 0.00 C ATOM 17 OD1 ASP A 2 3.740 10.761 8.113 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.284 11.981 6.937 1.00 0.00 O ATOM 0 HA ASP A 2 4.208 9.123 4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.650 9.709 5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.009 8.829 6.624 1.00 0.00 H new ATOM 24 N ASP A 3 1.699 10.922 3.539 1.00 0.00 N ATOM 25 CA ASP A 3 0.683 10.987 2.502 1.00 0.00 C ATOM 26 C ASP A 3 1.343 10.789 1.135 1.00 0.00 C ATOM 27 O ASP A 3 2.167 11.600 0.716 1.00 0.00 O ATOM 28 CB ASP A 3 -0.014 12.349 2.497 1.00 0.00 C ATOM 29 CG ASP A 3 -0.001 13.087 3.838 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.525 12.589 4.845 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.587 14.235 3.822 1.00 0.00 O ATOM 0 H ASP A 3 1.782 11.765 4.108 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.052 10.207 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.462 12.981 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.049 12.209 2.186 1.00 0.00 H new ATOM 37 N ILE A 4 0.955 9.705 0.479 1.00 0.00 N ATOM 38 CA ILE A 4 1.499 9.390 -0.831 1.00 0.00 C ATOM 39 C ILE A 4 0.353 9.038 -1.783 1.00 0.00 C ATOM 40 O ILE A 4 -0.489 8.200 -1.463 1.00 0.00 O ATOM 41 CB ILE A 4 2.564 8.297 -0.721 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.761 8.780 0.100 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.982 7.797 -2.105 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.896 7.754 0.070 1.00 0.00 C ATOM 0 H ILE A 4 0.271 9.035 0.830 1.00 0.00 H new ATOM 0 HA ILE A 4 2.008 10.258 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 4 2.130 7.449 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.116 9.732 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.452 8.956 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.740 7.021 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.114 7.388 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.391 8.626 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.735 8.122 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.544 6.810 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.219 7.598 -0.959 1.00 0.00 H new ATOM 56 N VAL A 5 0.358 9.695 -2.933 1.00 0.00 N ATOM 57 CA VAL A 5 -0.670 9.462 -3.933 1.00 0.00 C ATOM 58 C VAL A 5 -0.115 8.545 -5.024 1.00 0.00 C ATOM 59 O VAL A 5 0.877 8.876 -5.673 1.00 0.00 O ATOM 60 CB VAL A 5 -1.183 10.797 -4.477 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.217 10.578 -5.583 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.757 11.663 -3.353 1.00 0.00 C ATOM 0 H VAL A 5 1.058 10.389 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.528 8.957 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.336 11.329 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.565 11.543 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.762 10.019 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.062 10.015 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.115 12.606 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.585 11.139 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.981 11.862 -2.614 1.00 0.00 H new ATOM 72 N LEU A 6 -0.779 7.412 -5.194 1.00 0.00 N ATOM 73 CA LEU A 6 -0.365 6.445 -6.196 1.00 0.00 C ATOM 74 C LEU A 6 -1.235 6.605 -7.444 1.00 0.00 C ATOM 75 O LEU A 6 -2.352 6.093 -7.496 1.00 0.00 O ATOM 76 CB LEU A 6 -0.380 5.030 -5.614 1.00 0.00 C ATOM 77 CG LEU A 6 0.569 4.778 -4.440 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.174 3.510 -3.679 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.024 4.734 -4.911 1.00 0.00 C ATOM 0 H LEU A 6 -1.601 7.142 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 6 0.666 6.629 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.396 4.802 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.135 4.328 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 6 0.481 5.612 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.864 3.353 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.839 3.618 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.216 2.654 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.677 4.554 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.147 3.931 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.286 5.686 -5.374 1.00 0.00 H new ATOM 91 N LYS A 7 -0.691 7.318 -8.419 1.00 0.00 N ATOM 92 CA LYS A 7 -1.403 7.553 -9.663 1.00 0.00 C ATOM 93 C LYS A 7 -1.921 6.220 -10.208 1.00 0.00 C ATOM 94 O LYS A 7 -1.181 5.239 -10.265 1.00 0.00 O ATOM 95 CB LYS A 7 -0.521 8.319 -10.650 1.00 0.00 C ATOM 96 CG LYS A 7 0.621 7.440 -11.163 1.00 0.00 C ATOM 97 CD LYS A 7 1.972 8.134 -10.981 1.00 0.00 C ATOM 98 CE LYS A 7 2.812 7.428 -9.915 1.00 0.00 C ATOM 99 NZ LYS A 7 4.196 7.952 -9.915 1.00 0.00 N ATOM 0 H LYS A 7 0.236 7.741 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.272 8.188 -9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.124 8.664 -11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.112 9.206 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.621 6.490 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.464 7.213 -12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.511 8.141 -11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.815 9.174 -10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.362 7.574 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.823 6.355 -10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.753 7.462 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.628 7.791 -10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.181 8.972 -9.712 1.00 0.00 H new ATOM 112 N ALA A 8 -3.188 6.228 -10.596 1.00 0.00 N ATOM 113 CA ALA A 8 -3.813 5.032 -11.134 1.00 0.00 C ATOM 114 C ALA A 8 -4.764 5.424 -12.267 1.00 0.00 C ATOM 115 O ALA A 8 -5.477 6.422 -12.166 1.00 0.00 O ATOM 116 CB ALA A 8 -4.526 4.277 -10.010 1.00 0.00 C ATOM 0 H ALA A 8 -3.798 7.044 -10.548 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.061 4.362 -11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.995 3.380 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.802 3.995 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.289 4.918 -9.569 1.00 0.00 H new ATOM 122 N LYS A 9 -4.744 4.619 -13.319 1.00 0.00 N ATOM 123 CA LYS A 9 -5.596 4.870 -14.469 1.00 0.00 C ATOM 124 C LYS A 9 -7.026 4.435 -14.144 1.00 0.00 C ATOM 125 O LYS A 9 -7.914 4.526 -14.990 1.00 0.00 O ATOM 126 CB LYS A 9 -5.019 4.202 -15.719 1.00 0.00 C ATOM 127 CG LYS A 9 -5.170 2.681 -15.647 1.00 0.00 C ATOM 128 CD LYS A 9 -5.493 2.096 -17.023 1.00 0.00 C ATOM 129 CE LYS A 9 -5.193 0.596 -17.066 1.00 0.00 C ATOM 130 NZ LYS A 9 -4.603 0.223 -18.370 1.00 0.00 N ATOM 0 H LYS A 9 -4.151 3.793 -13.399 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.630 5.936 -14.692 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.528 4.580 -16.606 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.965 4.462 -15.821 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.249 2.238 -15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.962 2.424 -14.944 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.544 2.267 -17.257 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.909 2.609 -17.787 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.507 0.333 -16.261 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.110 0.031 -16.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.406 -0.798 -18.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.271 0.456 -19.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.717 0.749 -18.513 1.00 0.00 H new ATOM 143 N ASN A 10 -7.205 3.971 -12.916 1.00 0.00 N ATOM 144 CA ASN A 10 -8.512 3.522 -12.468 1.00 0.00 C ATOM 145 C ASN A 10 -8.822 4.145 -11.106 1.00 0.00 C ATOM 146 O ASN A 10 -9.508 3.540 -10.284 1.00 0.00 O ATOM 147 CB ASN A 10 -8.548 2.001 -12.311 1.00 0.00 C ATOM 148 CG ASN A 10 -9.876 1.429 -12.812 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.342 1.732 -13.897 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.456 0.587 -11.962 1.00 0.00 N ATOM 0 H ASN A 10 -6.466 3.896 -12.217 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.246 3.825 -13.215 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.723 1.555 -12.867 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.406 1.737 -11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.346 0.151 -12.203 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.011 0.377 -11.069 1.00 0.00 H new ATOM 157 N GLY A 11 -8.301 5.347 -10.908 1.00 0.00 N ATOM 158 CA GLY A 11 -8.513 6.059 -9.659 1.00 0.00 C ATOM 159 C GLY A 11 -7.261 6.010 -8.781 1.00 0.00 C ATOM 160 O GLY A 11 -6.763 4.931 -8.463 1.00 0.00 O ATOM 0 H GLY A 11 -7.732 5.846 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.775 7.096 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.354 5.619 -9.124 1.00 0.00 H new ATOM 164 N ASP A 12 -6.789 7.192 -8.413 1.00 0.00 N ATOM 165 CA ASP A 12 -5.605 7.297 -7.577 1.00 0.00 C ATOM 166 C ASP A 12 -5.863 6.593 -6.243 1.00 0.00 C ATOM 167 O ASP A 12 -7.011 6.450 -5.825 1.00 0.00 O ATOM 168 CB ASP A 12 -5.268 8.760 -7.282 1.00 0.00 C ATOM 169 CG ASP A 12 -6.280 9.492 -6.399 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.557 9.075 -5.264 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.801 10.547 -6.926 1.00 0.00 O ATOM 0 H ASP A 12 -7.205 8.085 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.774 6.835 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.291 8.802 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.180 9.295 -8.228 1.00 0.00 H new ATOM 177 N VAL A 13 -4.776 6.173 -5.613 1.00 0.00 N ATOM 178 CA VAL A 13 -4.871 5.487 -4.335 1.00 0.00 C ATOM 179 C VAL A 13 -4.131 6.299 -3.270 1.00 0.00 C ATOM 180 O VAL A 13 -2.923 6.508 -3.370 1.00 0.00 O ATOM 181 CB VAL A 13 -4.344 4.057 -4.469 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.477 3.298 -3.146 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.056 3.314 -5.601 1.00 0.00 C ATOM 0 H VAL A 13 -3.826 6.294 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.911 5.408 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.285 4.112 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.095 2.284 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.904 3.811 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.526 3.258 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.663 2.300 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.125 3.274 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.888 3.838 -6.542 1.00 0.00 H new ATOM 193 N LYS A 14 -4.888 6.736 -2.273 1.00 0.00 N ATOM 194 CA LYS A 14 -4.319 7.520 -1.191 1.00 0.00 C ATOM 195 C LYS A 14 -3.745 6.578 -0.131 1.00 0.00 C ATOM 196 O LYS A 14 -4.488 6.012 0.670 1.00 0.00 O ATOM 197 CB LYS A 14 -5.354 8.505 -0.642 1.00 0.00 C ATOM 198 CG LYS A 14 -4.676 9.638 0.132 1.00 0.00 C ATOM 199 CD LYS A 14 -4.401 9.225 1.579 1.00 0.00 C ATOM 200 CE LYS A 14 -3.405 10.179 2.241 1.00 0.00 C ATOM 201 NZ LYS A 14 -4.030 10.863 3.395 1.00 0.00 N ATOM 0 H LYS A 14 -5.890 6.562 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.493 8.130 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.938 8.920 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.051 7.980 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.740 9.908 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.311 10.524 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.334 9.219 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.007 8.209 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.527 9.625 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.062 10.917 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.340 11.507 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.854 11.408 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.335 10.156 4.094 1.00 0.00 H new ATOM 214 N PHE A 15 -2.428 6.439 -0.160 1.00 0.00 N ATOM 215 CA PHE A 15 -1.745 5.575 0.788 1.00 0.00 C ATOM 216 C PHE A 15 -1.105 6.393 1.912 1.00 0.00 C ATOM 217 O PHE A 15 -0.306 7.299 1.686 1.00 0.00 O ATOM 218 CB PHE A 15 -0.646 4.844 0.016 1.00 0.00 C ATOM 219 CG PHE A 15 0.219 3.927 0.883 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.360 2.939 1.616 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.568 4.099 0.920 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.442 2.087 2.421 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.370 3.248 1.725 1.00 0.00 C ATOM 224 CZ PHE A 15 1.791 2.260 2.458 1.00 0.00 C ATOM 0 H PHE A 15 -1.815 6.910 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.455 4.882 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.105 4.252 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.005 5.581 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.431 2.802 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.029 4.883 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.019 1.303 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.441 3.385 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.402 1.613 3.070 1.00 0.00 H new ATOM 234 N PRO A 16 -1.480 6.047 3.146 1.00 0.00 N ATOM 235 CA PRO A 16 -0.999 6.683 4.353 1.00 0.00 C ATOM 236 C PRO A 16 0.301 6.027 4.793 1.00 0.00 C ATOM 237 O PRO A 16 0.250 5.022 5.501 1.00 0.00 O ATOM 238 CB PRO A 16 -2.104 6.454 5.383 1.00 0.00 C ATOM 239 CG PRO A 16 -2.644 5.077 4.955 1.00 0.00 C ATOM 240 CD PRO A 16 -2.417 4.986 3.447 1.00 0.00 C ATOM 0 HA PRO A 16 -0.790 7.744 4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.719 6.444 6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.871 7.227 5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.123 4.274 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.702 4.981 5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.015 4.013 3.166 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.350 5.116 2.899 1.00 0.00 H new ATOM 248 N HIS A 17 1.424 6.593 4.374 1.00 0.00 N ATOM 249 CA HIS A 17 2.719 6.044 4.736 1.00 0.00 C ATOM 250 C HIS A 17 3.082 6.479 6.158 1.00 0.00 C ATOM 251 O HIS A 17 4.174 6.992 6.394 1.00 0.00 O ATOM 252 CB HIS A 17 3.782 6.435 3.708 1.00 0.00 C ATOM 253 CG HIS A 17 5.132 5.803 3.948 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.991 6.227 4.947 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.761 4.774 3.310 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.085 5.480 4.902 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.940 4.581 3.887 1.00 0.00 N ATOM 0 H HIS A 17 1.463 7.426 3.787 1.00 0.00 H new ATOM 0 HA HIS A 17 2.671 4.955 4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.432 6.154 2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.894 7.519 3.711 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.813 6.985 5.606 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.366 4.212 2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.941 5.568 5.555 1.00 0.00 H new ATOM 265 N LYS A 18 2.144 6.256 7.067 1.00 0.00 N ATOM 266 CA LYS A 18 2.351 6.619 8.459 1.00 0.00 C ATOM 267 C LYS A 18 1.748 5.537 9.358 1.00 0.00 C ATOM 268 O LYS A 18 2.474 4.818 10.043 1.00 0.00 O ATOM 269 CB LYS A 18 1.806 8.021 8.734 1.00 0.00 C ATOM 270 CG LYS A 18 1.317 8.146 10.179 1.00 0.00 C ATOM 271 CD LYS A 18 0.974 9.598 10.518 1.00 0.00 C ATOM 272 CE LYS A 18 -0.535 9.777 10.701 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.840 10.229 12.077 1.00 0.00 N ATOM 0 H LYS A 18 1.240 5.829 6.867 1.00 0.00 H new ATOM 0 HA LYS A 18 3.416 6.667 8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.584 8.761 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.986 8.237 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.439 7.517 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.086 7.782 10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.492 9.894 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.328 10.254 9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.911 10.504 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.046 8.836 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.868 10.346 12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.499 9.521 12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.368 11.138 12.256 1.00 0.00 H new ATOM 286 N ALA A 19 0.426 5.457 9.328 1.00 0.00 N ATOM 287 CA ALA A 19 -0.283 4.476 10.131 1.00 0.00 C ATOM 288 C ALA A 19 0.282 3.083 9.843 1.00 0.00 C ATOM 289 O ALA A 19 0.145 2.173 10.660 1.00 0.00 O ATOM 290 CB ALA A 19 -1.783 4.567 9.843 1.00 0.00 C ATOM 0 H ALA A 19 -0.173 6.056 8.760 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.142 4.676 11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.315 3.831 10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.141 5.566 10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.963 4.369 8.786 1.00 0.00 H new ATOM 296 N HIS A 20 0.905 2.961 8.680 1.00 0.00 N ATOM 297 CA HIS A 20 1.491 1.695 8.275 1.00 0.00 C ATOM 298 C HIS A 20 2.853 1.521 8.948 1.00 0.00 C ATOM 299 O HIS A 20 3.556 0.544 8.693 1.00 0.00 O ATOM 300 CB HIS A 20 1.566 1.594 6.750 1.00 0.00 C ATOM 301 CG HIS A 20 0.251 1.252 6.091 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.701 2.207 5.777 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.260 0.053 5.690 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.734 1.597 5.214 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.459 0.263 5.161 1.00 0.00 N ATOM 0 H HIS A 20 1.017 3.718 8.006 1.00 0.00 H new ATOM 0 HA HIS A 20 0.854 0.874 8.605 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.925 2.543 6.351 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.303 0.836 6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.228 -0.905 5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.636 2.073 4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.073 -0.455 4.778 1.00 0.00 H new ATOM 313 N GLN A 21 3.186 2.484 9.795 1.00 0.00 N ATOM 314 CA GLN A 21 4.452 2.450 10.508 1.00 0.00 C ATOM 315 C GLN A 21 4.269 1.809 11.885 1.00 0.00 C ATOM 316 O GLN A 21 4.964 0.854 12.227 1.00 0.00 O ATOM 317 CB GLN A 21 5.050 3.852 10.630 1.00 0.00 C ATOM 318 CG GLN A 21 5.468 4.391 9.260 1.00 0.00 C ATOM 319 CD GLN A 21 5.968 5.833 9.368 1.00 0.00 C ATOM 320 OE1 GLN A 21 6.511 6.256 10.376 1.00 0.00 O ATOM 321 NE2 GLN A 21 5.757 6.563 8.276 1.00 0.00 N ATOM 0 H GLN A 21 2.601 3.293 10.004 1.00 0.00 H new ATOM 0 HA GLN A 21 5.152 1.841 9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.321 4.524 11.082 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.914 3.826 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.252 3.761 8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.622 4.346 8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.297 6.148 7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.056 7.538 8.249 1.00 0.00 H new ATOM 330 N LYS A 22 3.330 2.362 12.639 1.00 0.00 N ATOM 331 CA LYS A 22 3.047 1.857 13.972 1.00 0.00 C ATOM 332 C LYS A 22 2.438 0.457 13.863 1.00 0.00 C ATOM 333 O LYS A 22 2.612 -0.370 14.757 1.00 0.00 O ATOM 334 CB LYS A 22 2.176 2.848 14.747 1.00 0.00 C ATOM 335 CG LYS A 22 0.690 2.564 14.522 1.00 0.00 C ATOM 336 CD LYS A 22 0.117 1.710 15.654 1.00 0.00 C ATOM 337 CE LYS A 22 -1.302 2.155 16.014 1.00 0.00 C ATOM 338 NZ LYS A 22 -1.437 2.324 17.478 1.00 0.00 N ATOM 0 H LYS A 22 2.756 3.155 12.352 1.00 0.00 H new ATOM 0 HA LYS A 22 3.968 1.761 14.547 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.405 2.784 15.811 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.407 3.865 14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.142 3.504 14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.554 2.051 13.570 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.108 0.662 15.355 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.759 1.785 16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.534 3.094 15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.022 1.417 15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.406 2.626 17.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.236 1.420 17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.764 3.045 17.808 1.00 0.00 H new ATOM 351 N ALA A 23 1.736 0.236 12.761 1.00 0.00 N ATOM 352 CA ALA A 23 1.100 -1.049 12.525 1.00 0.00 C ATOM 353 C ALA A 23 2.154 -2.058 12.066 1.00 0.00 C ATOM 354 O ALA A 23 2.024 -3.255 12.318 1.00 0.00 O ATOM 355 CB ALA A 23 -0.029 -0.880 11.505 1.00 0.00 C ATOM 0 H ALA A 23 1.594 0.925 12.022 1.00 0.00 H new ATOM 0 HA ALA A 23 0.655 -1.432 13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.506 -1.844 11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.766 -0.176 11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.380 -0.500 10.569 1.00 0.00 H new ATOM 361 N VAL A 24 3.175 -1.538 11.400 1.00 0.00 N ATOM 362 CA VAL A 24 4.251 -2.379 10.903 1.00 0.00 C ATOM 363 C VAL A 24 5.590 -1.676 11.137 1.00 0.00 C ATOM 364 O VAL A 24 6.329 -1.355 10.209 1.00 0.00 O ATOM 365 CB VAL A 24 4.007 -2.727 9.433 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.084 -3.680 8.910 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.609 -3.316 9.234 1.00 0.00 C ATOM 0 H VAL A 24 3.280 -0.545 11.193 1.00 0.00 H new ATOM 0 HA VAL A 24 4.280 -3.324 11.446 1.00 0.00 H new ATOM 0 HB VAL A 24 4.067 -1.805 8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.888 -3.912 7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.062 -3.208 9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.070 -4.600 9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.461 -3.555 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.508 -4.224 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.860 -2.590 9.550 1.00 0.00 H new ATOM 377 N PRO A 25 5.889 -1.443 12.417 1.00 0.00 N ATOM 378 CA PRO A 25 7.102 -0.794 12.866 1.00 0.00 C ATOM 379 C PRO A 25 8.282 -1.292 12.044 1.00 0.00 C ATOM 380 O PRO A 25 9.262 -0.562 11.909 1.00 0.00 O ATOM 381 CB PRO A 25 7.244 -1.202 14.331 1.00 0.00 C ATOM 382 CG PRO A 25 5.770 -1.281 14.767 1.00 0.00 C ATOM 383 CD PRO A 25 5.043 -1.808 13.533 1.00 0.00 C ATOM 0 HA PRO A 25 7.071 0.290 12.753 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.758 -2.157 14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.805 -0.468 14.910 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.642 -1.948 15.620 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.390 -0.304 15.066 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.905 -2.888 13.587 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.052 -1.364 13.439 1.00 0.00 H new ATOM 391 N ASP A 26 8.172 -2.505 11.521 1.00 0.00 N ATOM 392 CA ASP A 26 9.242 -3.075 10.721 1.00 0.00 C ATOM 393 C ASP A 26 9.151 -2.531 9.294 1.00 0.00 C ATOM 394 O ASP A 26 8.198 -2.824 8.573 1.00 0.00 O ATOM 395 CB ASP A 26 9.128 -4.599 10.654 1.00 0.00 C ATOM 396 CG ASP A 26 10.243 -5.297 9.873 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.101 -5.583 8.675 1.00 0.00 O ATOM 398 OD2 ASP A 26 11.309 -5.552 10.554 1.00 0.00 O ATOM 0 H ASP A 26 7.358 -3.108 11.636 1.00 0.00 H new ATOM 0 HA ASP A 26 10.191 -2.805 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.116 -4.992 11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.171 -4.857 10.201 1.00 0.00 H new ATOM 404 N CYS A 27 10.156 -1.748 8.928 1.00 0.00 N ATOM 405 CA CYS A 27 10.201 -1.161 7.599 1.00 0.00 C ATOM 406 C CYS A 27 10.796 -2.192 6.638 1.00 0.00 C ATOM 407 O CYS A 27 10.698 -2.041 5.422 1.00 0.00 O ATOM 408 CB CYS A 27 10.989 0.151 7.588 1.00 0.00 C ATOM 409 SG CYS A 27 10.816 1.163 9.102 1.00 0.00 S ATOM 0 H CYS A 27 10.945 -1.507 9.528 1.00 0.00 H new ATOM 0 HA CYS A 27 9.192 -0.906 7.276 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.044 -0.077 7.439 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.667 0.745 6.732 1.00 0.00 H new ATOM 0 HG CYS A 27 11.525 2.246 8.984 1.00 0.00 H new ATOM 414 N LYS A 28 11.399 -3.218 7.221 1.00 0.00 N ATOM 415 CA LYS A 28 12.010 -4.274 6.431 1.00 0.00 C ATOM 416 C LYS A 28 10.917 -5.199 5.893 1.00 0.00 C ATOM 417 O LYS A 28 11.200 -6.122 5.130 1.00 0.00 O ATOM 418 CB LYS A 28 13.084 -4.999 7.245 1.00 0.00 C ATOM 419 CG LYS A 28 14.273 -4.079 7.526 1.00 0.00 C ATOM 420 CD LYS A 28 15.561 -4.650 6.931 1.00 0.00 C ATOM 421 CE LYS A 28 15.965 -3.891 5.666 1.00 0.00 C ATOM 422 NZ LYS A 28 17.023 -2.902 5.969 1.00 0.00 N ATOM 0 H LYS A 28 11.478 -3.341 8.231 1.00 0.00 H new ATOM 0 HA LYS A 28 12.527 -3.854 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.659 -5.347 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.423 -5.882 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.081 -3.092 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.391 -3.950 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.363 -4.590 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.421 -5.705 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.321 -4.593 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.096 -3.385 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.285 -2.396 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.671 -2.222 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.858 -3.392 6.349 1.00 0.00 H new ATOM 435 N LYS A 29 9.691 -4.921 6.312 1.00 0.00 N ATOM 436 CA LYS A 29 8.554 -5.717 5.882 1.00 0.00 C ATOM 437 C LYS A 29 8.307 -5.480 4.391 1.00 0.00 C ATOM 438 O LYS A 29 8.187 -6.431 3.619 1.00 0.00 O ATOM 439 CB LYS A 29 7.335 -5.430 6.761 1.00 0.00 C ATOM 440 CG LYS A 29 7.213 -6.462 7.883 1.00 0.00 C ATOM 441 CD LYS A 29 6.679 -7.792 7.349 1.00 0.00 C ATOM 442 CE LYS A 29 5.565 -8.336 8.246 1.00 0.00 C ATOM 443 NZ LYS A 29 4.886 -9.478 7.594 1.00 0.00 N ATOM 0 H LYS A 29 9.460 -4.155 6.945 1.00 0.00 H new ATOM 0 HA LYS A 29 8.764 -6.779 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.418 -4.431 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.432 -5.442 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.187 -6.617 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.547 -6.084 8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.301 -7.656 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.491 -8.517 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.982 -8.651 9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.842 -7.548 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.133 -9.835 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.472 -9.167 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.576 -10.236 7.415 1.00 0.00 H new ATOM 456 N CYS A 30 8.236 -4.207 4.030 1.00 0.00 N ATOM 457 CA CYS A 30 8.005 -3.833 2.645 1.00 0.00 C ATOM 458 C CYS A 30 9.355 -3.507 2.004 1.00 0.00 C ATOM 459 O CYS A 30 9.702 -4.061 0.962 1.00 0.00 O ATOM 460 CB CYS A 30 7.022 -2.667 2.531 1.00 0.00 C ATOM 461 SG CYS A 30 5.607 -2.928 3.661 1.00 0.00 S ATOM 0 H CYS A 30 8.334 -3.421 4.673 1.00 0.00 H new ATOM 0 HA CYS A 30 7.543 -4.665 2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.525 -1.731 2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.667 -2.579 1.504 1.00 0.00 H new ATOM 0 HG CYS A 30 4.780 -1.931 3.558 1.00 0.00 H new ATOM 466 N HIS A 31 10.081 -2.608 2.653 1.00 0.00 N ATOM 467 CA HIS A 31 11.385 -2.201 2.159 1.00 0.00 C ATOM 468 C HIS A 31 12.388 -3.339 2.359 1.00 0.00 C ATOM 469 O HIS A 31 12.864 -3.564 3.471 1.00 0.00 O ATOM 470 CB HIS A 31 11.832 -0.895 2.818 1.00 0.00 C ATOM 471 CG HIS A 31 10.914 0.274 2.549 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.707 0.789 1.281 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.151 1.021 3.398 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.857 1.801 1.374 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.514 1.943 2.687 1.00 0.00 N ATOM 0 H HIS A 31 9.790 -2.150 3.517 1.00 0.00 H new ATOM 0 HA HIS A 31 11.326 -1.999 1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.902 -1.049 3.895 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.833 -0.646 2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.078 0.885 4.467 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.499 2.407 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.873 2.643 3.061 1.00 0.00 H new ATOM 483 N GLU A 32 12.679 -4.028 1.265 1.00 0.00 N ATOM 484 CA GLU A 32 13.616 -5.137 1.306 1.00 0.00 C ATOM 485 C GLU A 32 15.052 -4.624 1.181 1.00 0.00 C ATOM 486 O GLU A 32 15.918 -4.990 1.974 1.00 0.00 O ATOM 487 CB GLU A 32 13.303 -6.161 0.214 1.00 0.00 C ATOM 488 CG GLU A 32 12.768 -7.461 0.818 1.00 0.00 C ATOM 489 CD GLU A 32 11.541 -7.958 0.051 1.00 0.00 C ATOM 490 OE1 GLU A 32 11.450 -7.760 -1.170 1.00 0.00 O ATOM 491 OE2 GLU A 32 10.661 -8.571 0.768 1.00 0.00 O ATOM 0 H GLU A 32 12.282 -3.839 0.345 1.00 0.00 H new ATOM 0 HA GLU A 32 13.512 -5.638 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.568 -5.748 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.204 -6.368 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.547 -8.223 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.507 -7.300 1.864 1.00 0.00 H new ATOM 499 N LYS A 33 15.261 -3.783 0.178 1.00 0.00 N ATOM 500 CA LYS A 33 16.577 -3.216 -0.062 1.00 0.00 C ATOM 501 C LYS A 33 16.700 -1.890 0.691 1.00 0.00 C ATOM 502 O LYS A 33 17.409 -0.986 0.251 1.00 0.00 O ATOM 503 CB LYS A 33 16.844 -3.098 -1.564 1.00 0.00 C ATOM 504 CG LYS A 33 16.878 -4.478 -2.224 1.00 0.00 C ATOM 505 CD LYS A 33 18.008 -4.565 -3.252 1.00 0.00 C ATOM 506 CE LYS A 33 17.585 -5.400 -4.463 1.00 0.00 C ATOM 507 NZ LYS A 33 16.577 -4.673 -5.267 1.00 0.00 N ATOM 0 H LYS A 33 14.541 -3.481 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 33 17.353 -3.876 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.069 -2.488 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.793 -2.588 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.014 -5.246 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.923 -4.676 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.287 -3.563 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.891 -5.008 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.456 -5.626 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.174 -6.353 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.584 -5.035 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.634 -4.815 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.804 -3.658 -5.273 1.00 0.00 H new ATOM 520 N GLY A 34 16.000 -1.815 1.813 1.00 0.00 N ATOM 521 CA GLY A 34 16.022 -0.614 2.631 1.00 0.00 C ATOM 522 C GLY A 34 14.983 0.398 2.146 1.00 0.00 C ATOM 523 O GLY A 34 14.335 0.226 1.117 1.00 0.00 O ATOM 0 H GLY A 34 15.414 -2.567 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.824 -0.874 3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.015 -0.165 2.598 1.00 0.00 H new ATOM 527 N PRO A 35 14.838 1.474 2.924 1.00 0.00 N ATOM 528 CA PRO A 35 13.915 2.556 2.656 1.00 0.00 C ATOM 529 C PRO A 35 14.187 3.128 1.272 1.00 0.00 C ATOM 530 O PRO A 35 15.352 3.237 0.893 1.00 0.00 O ATOM 531 CB PRO A 35 14.200 3.591 3.742 1.00 0.00 C ATOM 532 CG PRO A 35 15.653 3.227 4.275 1.00 0.00 C ATOM 533 CD PRO A 35 15.583 1.708 4.141 1.00 0.00 C ATOM 0 HA PRO A 35 12.872 2.238 2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.167 4.604 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.461 3.540 4.541 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.446 3.667 3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.818 3.552 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.580 1.270 4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.086 1.258 5.001 1.00 0.00 H new ATOM 541 N GLY A 36 13.128 3.474 0.554 1.00 0.00 N ATOM 542 CA GLY A 36 13.278 4.028 -0.781 1.00 0.00 C ATOM 543 C GLY A 36 12.217 3.467 -1.730 1.00 0.00 C ATOM 544 O GLY A 36 11.289 2.787 -1.296 1.00 0.00 O ATOM 0 H GLY A 36 12.163 3.381 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.196 5.114 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.272 3.798 -1.164 1.00 0.00 H new ATOM 548 N LYS A 37 12.391 3.772 -3.007 1.00 0.00 N ATOM 549 CA LYS A 37 11.460 3.307 -4.021 1.00 0.00 C ATOM 550 C LYS A 37 11.539 1.782 -4.119 1.00 0.00 C ATOM 551 O LYS A 37 12.589 1.194 -3.864 1.00 0.00 O ATOM 552 CB LYS A 37 11.714 4.022 -5.350 1.00 0.00 C ATOM 553 CG LYS A 37 10.959 5.352 -5.410 1.00 0.00 C ATOM 554 CD LYS A 37 11.916 6.534 -5.248 1.00 0.00 C ATOM 555 CE LYS A 37 12.019 7.338 -6.546 1.00 0.00 C ATOM 556 NZ LYS A 37 13.320 7.092 -7.206 1.00 0.00 N ATOM 0 H LYS A 37 13.163 4.336 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 37 10.437 3.557 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.782 4.200 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.400 3.384 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.433 5.433 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.204 5.381 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.568 7.180 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.903 6.171 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.206 7.062 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.908 8.401 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.373 7.645 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.092 7.378 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.411 6.080 -7.428 1.00 0.00 H new ATOM 569 N ILE A 38 10.415 1.186 -4.488 1.00 0.00 N ATOM 570 CA ILE A 38 10.344 -0.259 -4.623 1.00 0.00 C ATOM 571 C ILE A 38 10.292 -0.627 -6.107 1.00 0.00 C ATOM 572 O ILE A 38 9.371 -0.228 -6.817 1.00 0.00 O ATOM 573 CB ILE A 38 9.174 -0.816 -3.809 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.268 -0.382 -2.345 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.081 -2.336 -3.952 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.965 -0.680 -1.600 1.00 0.00 C ATOM 0 H ILE A 38 9.546 1.677 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 38 11.239 -0.725 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 38 8.250 -0.398 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.095 -0.901 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.486 0.685 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.241 -2.706 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.931 -2.594 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.004 -2.792 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.059 -0.362 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.144 -0.140 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.763 -1.751 -1.635 1.00 0.00 H new ATOM 588 N GLU A 39 11.293 -1.385 -6.531 1.00 0.00 N ATOM 589 CA GLU A 39 11.372 -1.811 -7.918 1.00 0.00 C ATOM 590 C GLU A 39 10.533 -3.072 -8.135 1.00 0.00 C ATOM 591 O GLU A 39 10.616 -4.019 -7.356 1.00 0.00 O ATOM 592 CB GLU A 39 12.825 -2.042 -8.338 1.00 0.00 C ATOM 593 CG GLU A 39 13.469 -0.740 -8.821 1.00 0.00 C ATOM 594 CD GLU A 39 14.107 -0.923 -10.200 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.732 -1.962 -10.461 1.00 0.00 O ATOM 596 OE2 GLU A 39 13.935 0.062 -11.015 1.00 0.00 O ATOM 0 H GLU A 39 12.055 -1.715 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 39 10.968 -1.016 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.391 -2.442 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.864 -2.788 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.717 0.047 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.226 -0.417 -8.106 1.00 0.00 H new ATOM 604 N GLY A 40 9.742 -3.042 -9.198 1.00 0.00 N ATOM 605 CA GLY A 40 8.887 -4.170 -9.527 1.00 0.00 C ATOM 606 C GLY A 40 7.430 -3.878 -9.165 1.00 0.00 C ATOM 607 O GLY A 40 6.516 -4.273 -9.888 1.00 0.00 O ATOM 0 H GLY A 40 9.675 -2.254 -9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.964 -4.390 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.227 -5.057 -8.993 1.00 0.00 H new ATOM 611 N PHE A 41 7.258 -3.188 -8.047 1.00 0.00 N ATOM 612 CA PHE A 41 5.927 -2.838 -7.582 1.00 0.00 C ATOM 613 C PHE A 41 5.016 -2.466 -8.753 1.00 0.00 C ATOM 614 O PHE A 41 5.495 -2.139 -9.838 1.00 0.00 O ATOM 615 CB PHE A 41 6.079 -1.623 -6.663 1.00 0.00 C ATOM 616 CG PHE A 41 4.770 -1.162 -6.020 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.165 -1.936 -5.078 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.211 0.022 -6.388 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.950 -1.507 -4.481 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.996 0.450 -5.791 1.00 0.00 C ATOM 621 CZ PHE A 41 2.391 -0.324 -4.850 1.00 0.00 C ATOM 0 H PHE A 41 8.018 -2.862 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 41 5.479 -3.686 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.794 -1.863 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.501 -0.797 -7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.609 -2.876 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.692 0.637 -7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.470 -2.121 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.552 1.390 -6.084 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.467 0.001 -4.396 1.00 0.00 H new ATOM 631 N GLY A 42 3.717 -2.527 -8.494 1.00 0.00 N ATOM 632 CA GLY A 42 2.735 -2.201 -9.514 1.00 0.00 C ATOM 633 C GLY A 42 1.353 -2.736 -9.135 1.00 0.00 C ATOM 634 O GLY A 42 1.059 -2.927 -7.956 1.00 0.00 O ATOM 0 H GLY A 42 3.323 -2.797 -7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.687 -1.120 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.044 -2.625 -10.470 1.00 0.00 H new ATOM 638 N LYS A 43 0.541 -2.963 -10.157 1.00 0.00 N ATOM 639 CA LYS A 43 -0.804 -3.472 -9.945 1.00 0.00 C ATOM 640 C LYS A 43 -0.726 -4.827 -9.239 1.00 0.00 C ATOM 641 O LYS A 43 -0.948 -4.916 -8.033 1.00 0.00 O ATOM 642 CB LYS A 43 -1.576 -3.510 -11.266 1.00 0.00 C ATOM 643 CG LYS A 43 -3.081 -3.623 -11.017 1.00 0.00 C ATOM 644 CD LYS A 43 -3.725 -4.613 -11.990 1.00 0.00 C ATOM 645 CE LYS A 43 -4.843 -3.945 -12.793 1.00 0.00 C ATOM 646 NZ LYS A 43 -4.983 -4.586 -14.120 1.00 0.00 N ATOM 0 H LYS A 43 0.788 -2.804 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.366 -2.804 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.365 -2.608 -11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.238 -4.356 -11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.260 -3.947 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.546 -2.644 -11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.968 -5.004 -12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.127 -5.462 -11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.784 -4.017 -12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.626 -2.884 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.746 -4.120 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.090 -4.496 -14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.212 -5.593 -13.997 1.00 0.00 H new ATOM 659 N GLU A 44 -0.409 -5.849 -10.021 1.00 0.00 N ATOM 660 CA GLU A 44 -0.299 -7.195 -9.486 1.00 0.00 C ATOM 661 C GLU A 44 0.264 -7.156 -8.064 1.00 0.00 C ATOM 662 O GLU A 44 -0.139 -7.945 -7.211 1.00 0.00 O ATOM 663 CB GLU A 44 0.561 -8.077 -10.392 1.00 0.00 C ATOM 664 CG GLU A 44 -0.231 -8.543 -11.616 1.00 0.00 C ATOM 665 CD GLU A 44 -1.388 -7.589 -11.915 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.478 -7.736 -11.342 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.125 -6.667 -12.778 1.00 0.00 O ATOM 0 H GLU A 44 -0.225 -5.771 -11.021 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.296 -7.633 -9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.443 -7.523 -10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.915 -8.943 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.430 -8.601 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.618 -9.547 -11.443 1.00 0.00 H new ATOM 675 N MET A 45 1.187 -6.229 -7.852 1.00 0.00 N ATOM 676 CA MET A 45 1.810 -6.077 -6.548 1.00 0.00 C ATOM 677 C MET A 45 0.821 -5.502 -5.532 1.00 0.00 C ATOM 678 O MET A 45 0.560 -6.115 -4.498 1.00 0.00 O ATOM 679 CB MET A 45 3.020 -5.149 -6.665 1.00 0.00 C ATOM 680 CG MET A 45 4.152 -5.604 -5.742 1.00 0.00 C ATOM 681 SD MET A 45 5.130 -6.861 -6.548 1.00 0.00 S ATOM 682 CE MET A 45 6.487 -6.985 -5.395 1.00 0.00 C ATOM 0 H MET A 45 1.518 -5.576 -8.562 1.00 0.00 H new ATOM 0 HA MET A 45 2.128 -7.060 -6.201 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.372 -5.133 -7.697 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.727 -4.130 -6.412 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.782 -4.754 -5.480 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.739 -5.994 -4.812 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.197 -7.732 -5.748 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.986 -6.019 -5.315 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.107 -7.279 -4.417 1.00 0.00 H new ATOM 692 N ALA A 46 0.298 -4.330 -5.862 1.00 0.00 N ATOM 693 CA ALA A 46 -0.656 -3.665 -4.991 1.00 0.00 C ATOM 694 C ALA A 46 -1.774 -4.643 -4.625 1.00 0.00 C ATOM 695 O ALA A 46 -2.075 -4.836 -3.448 1.00 0.00 O ATOM 696 CB ALA A 46 -1.185 -2.405 -5.680 1.00 0.00 C ATOM 0 H ALA A 46 0.517 -3.824 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.176 -3.352 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.901 -1.906 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.355 -1.730 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.676 -2.680 -6.613 1.00 0.00 H new ATOM 702 N HIS A 47 -2.359 -5.235 -5.656 1.00 0.00 N ATOM 703 CA HIS A 47 -3.438 -6.188 -5.458 1.00 0.00 C ATOM 704 C HIS A 47 -2.877 -7.482 -4.864 1.00 0.00 C ATOM 705 O HIS A 47 -3.543 -8.145 -4.071 1.00 0.00 O ATOM 706 CB HIS A 47 -4.206 -6.418 -6.761 1.00 0.00 C ATOM 707 CG HIS A 47 -4.742 -5.153 -7.389 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.891 -5.000 -8.756 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.163 -3.986 -6.823 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.379 -3.791 -8.991 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.547 -3.164 -7.792 1.00 0.00 N ATOM 0 H HIS A 47 -2.106 -5.073 -6.631 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.158 -5.785 -4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.550 -6.916 -7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.037 -7.095 -6.566 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.181 -3.768 -5.765 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.604 -3.375 -9.962 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.908 -2.219 -7.661 1.00 0.00 H new ATOM 719 N GLY A 48 -1.657 -7.802 -5.272 1.00 0.00 N ATOM 720 CA GLY A 48 -0.999 -9.004 -4.791 1.00 0.00 C ATOM 721 C GLY A 48 -0.493 -8.817 -3.359 1.00 0.00 C ATOM 722 O GLY A 48 -1.194 -8.259 -2.517 1.00 0.00 O ATOM 0 H GLY A 48 -1.108 -7.249 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.694 -9.843 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.164 -9.253 -5.446 1.00 0.00 H new ATOM 726 N LYS A 49 0.722 -9.293 -3.128 1.00 0.00 N ATOM 727 CA LYS A 49 1.330 -9.185 -1.812 1.00 0.00 C ATOM 728 C LYS A 49 1.988 -7.811 -1.671 1.00 0.00 C ATOM 729 O LYS A 49 3.095 -7.701 -1.146 1.00 0.00 O ATOM 730 CB LYS A 49 2.286 -10.354 -1.567 1.00 0.00 C ATOM 731 CG LYS A 49 2.766 -10.374 -0.114 1.00 0.00 C ATOM 732 CD LYS A 49 4.262 -10.686 -0.035 1.00 0.00 C ATOM 733 CE LYS A 49 4.805 -10.413 1.369 1.00 0.00 C ATOM 734 NZ LYS A 49 4.861 -8.957 1.629 1.00 0.00 N ATOM 0 H LYS A 49 1.302 -9.754 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 49 0.571 -9.256 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.785 -11.293 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.143 -10.274 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.567 -9.409 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.205 -11.121 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.434 -11.729 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.803 -10.080 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.170 -10.897 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.800 -10.845 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.509 -8.770 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.202 -8.465 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.911 -8.611 1.871 1.00 0.00 H new ATOM 747 N GLY A 50 1.279 -6.799 -2.149 1.00 0.00 N ATOM 748 CA GLY A 50 1.781 -5.437 -2.083 1.00 0.00 C ATOM 749 C GLY A 50 0.932 -4.586 -1.136 1.00 0.00 C ATOM 750 O GLY A 50 1.456 -3.979 -0.203 1.00 0.00 O ATOM 0 H GLY A 50 0.361 -6.895 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.817 -5.443 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.775 -4.995 -3.079 1.00 0.00 H new ATOM 754 N CYS A 51 -0.364 -4.568 -1.410 1.00 0.00 N ATOM 755 CA CYS A 51 -1.291 -3.801 -0.594 1.00 0.00 C ATOM 756 C CYS A 51 -2.348 -4.758 -0.040 1.00 0.00 C ATOM 757 O CYS A 51 -2.205 -5.272 1.068 1.00 0.00 O ATOM 758 CB CYS A 51 -1.919 -2.650 -1.383 1.00 0.00 C ATOM 759 SG CYS A 51 -0.728 -1.413 -2.015 1.00 0.00 S ATOM 0 H CYS A 51 -0.794 -5.072 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.754 -3.337 0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.472 -3.065 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.643 -2.143 -0.745 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.368 -0.488 -2.667 1.00 0.00 H new ATOM 764 N LYS A 52 -3.386 -4.967 -0.836 1.00 0.00 N ATOM 765 CA LYS A 52 -4.467 -5.853 -0.439 1.00 0.00 C ATOM 766 C LYS A 52 -3.879 -7.126 0.174 1.00 0.00 C ATOM 767 O LYS A 52 -4.285 -7.541 1.258 1.00 0.00 O ATOM 768 CB LYS A 52 -5.405 -6.116 -1.619 1.00 0.00 C ATOM 769 CG LYS A 52 -6.242 -4.876 -1.941 1.00 0.00 C ATOM 770 CD LYS A 52 -7.638 -5.268 -2.428 1.00 0.00 C ATOM 771 CE LYS A 52 -7.678 -5.372 -3.954 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.475 -6.773 -4.384 1.00 0.00 N ATOM 0 H LYS A 52 -3.501 -4.538 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.082 -5.383 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.822 -6.403 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.063 -6.953 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.325 -4.249 -1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.740 -4.282 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.926 -6.222 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.365 -4.529 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.636 -5.007 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.906 -4.737 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.505 -6.825 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.550 -7.109 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.227 -7.371 -3.985 1.00 0.00 H new ATOM 785 N GLY A 53 -2.932 -7.708 -0.547 1.00 0.00 N ATOM 786 CA GLY A 53 -2.284 -8.925 -0.087 1.00 0.00 C ATOM 787 C GLY A 53 -2.223 -8.970 1.441 1.00 0.00 C ATOM 788 O GLY A 53 -2.846 -9.827 2.066 1.00 0.00 O ATOM 0 H GLY A 53 -2.598 -7.360 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.828 -9.794 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.275 -8.981 -0.497 1.00 0.00 H new ATOM 792 N CYS A 54 -1.467 -8.036 1.999 1.00 0.00 N ATOM 793 CA CYS A 54 -1.316 -7.958 3.442 1.00 0.00 C ATOM 794 C CYS A 54 -2.705 -7.792 4.062 1.00 0.00 C ATOM 795 O CYS A 54 -3.053 -8.492 5.011 1.00 0.00 O ATOM 796 CB CYS A 54 -0.370 -6.828 3.852 1.00 0.00 C ATOM 797 SG CYS A 54 -0.110 -6.855 5.663 1.00 0.00 S ATOM 0 H CYS A 54 -0.952 -7.326 1.478 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.861 -8.877 3.812 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.585 -6.937 3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.786 -5.867 3.550 1.00 0.00 H new ATOM 0 HG CYS A 54 0.696 -5.893 6.000 1.00 0.00 H new ATOM 802 N HIS A 55 -3.462 -6.860 3.499 1.00 0.00 N ATOM 803 CA HIS A 55 -4.805 -6.593 3.984 1.00 0.00 C ATOM 804 C HIS A 55 -5.565 -7.911 4.142 1.00 0.00 C ATOM 805 O HIS A 55 -5.806 -8.364 5.260 1.00 0.00 O ATOM 806 CB HIS A 55 -5.525 -5.599 3.071 1.00 0.00 C ATOM 807 CG HIS A 55 -4.949 -4.203 3.107 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.394 -3.187 2.281 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.960 -3.667 3.879 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.698 -2.092 2.551 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.809 -2.392 3.541 1.00 0.00 N ATOM 0 H HIS A 55 -3.170 -6.281 2.712 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.754 -6.123 4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.488 -5.970 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.576 -5.555 3.356 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.133 -3.267 1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.396 -4.191 4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.814 -1.131 2.072 1.00 0.00 H new ATOM 819 N GLU A 56 -5.923 -8.490 3.005 1.00 0.00 N ATOM 820 CA GLU A 56 -6.652 -9.748 3.003 1.00 0.00 C ATOM 821 C GLU A 56 -5.914 -10.790 3.846 1.00 0.00 C ATOM 822 O GLU A 56 -6.515 -11.761 4.304 1.00 0.00 O ATOM 823 CB GLU A 56 -6.870 -10.252 1.575 1.00 0.00 C ATOM 824 CG GLU A 56 -5.721 -9.822 0.660 1.00 0.00 C ATOM 825 CD GLU A 56 -5.445 -10.882 -0.408 1.00 0.00 C ATOM 826 OE1 GLU A 56 -4.791 -11.896 -0.122 1.00 0.00 O ATOM 827 OE2 GLU A 56 -5.938 -10.624 -1.572 1.00 0.00 O ATOM 0 H GLU A 56 -5.722 -8.112 2.079 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.633 -9.579 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.950 -11.339 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.812 -9.864 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.968 -8.874 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.822 -9.655 1.253 1.00 0.00 H new ATOM 835 N GLU A 57 -4.623 -10.553 4.027 1.00 0.00 N ATOM 836 CA GLU A 57 -3.798 -11.459 4.807 1.00 0.00 C ATOM 837 C GLU A 57 -4.314 -11.542 6.245 1.00 0.00 C ATOM 838 O GLU A 57 -4.545 -12.634 6.763 1.00 0.00 O ATOM 839 CB GLU A 57 -2.330 -11.028 4.775 1.00 0.00 C ATOM 840 CG GLU A 57 -1.419 -12.208 4.430 1.00 0.00 C ATOM 841 CD GLU A 57 -1.913 -13.494 5.095 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.964 -13.573 6.331 1.00 0.00 O ATOM 843 OE2 GLU A 57 -2.252 -14.434 4.279 1.00 0.00 O ATOM 0 H GLU A 57 -4.128 -9.746 3.647 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.861 -12.452 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.196 -10.234 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.047 -10.617 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.386 -12.343 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.401 -11.994 4.756 1.00 0.00 H new ATOM 851 N MET A 58 -4.481 -10.375 6.848 1.00 0.00 N ATOM 852 CA MET A 58 -4.965 -10.302 8.216 1.00 0.00 C ATOM 853 C MET A 58 -6.456 -9.960 8.252 1.00 0.00 C ATOM 854 O MET A 58 -7.031 -9.784 9.325 1.00 0.00 O ATOM 855 CB MET A 58 -4.178 -9.236 8.981 1.00 0.00 C ATOM 856 CG MET A 58 -2.680 -9.544 8.964 1.00 0.00 C ATOM 857 SD MET A 58 -2.120 -9.946 10.611 1.00 0.00 S ATOM 858 CE MET A 58 -1.781 -8.307 11.232 1.00 0.00 C ATOM 0 H MET A 58 -4.290 -9.472 6.414 1.00 0.00 H new ATOM 0 HA MET A 58 -4.823 -11.276 8.684 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.357 -8.257 8.536 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.531 -9.187 10.011 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.479 -10.376 8.290 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.128 -8.685 8.583 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.419 -8.374 12.258 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.022 -7.832 10.610 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.694 -7.713 11.208 1.00 0.00 H new ATOM 868 N LYS A 59 -7.040 -9.876 7.066 1.00 0.00 N ATOM 869 CA LYS A 59 -8.453 -9.558 6.948 1.00 0.00 C ATOM 870 C LYS A 59 -8.684 -8.110 7.385 1.00 0.00 C ATOM 871 O LYS A 59 -9.826 -7.670 7.508 1.00 0.00 O ATOM 872 CB LYS A 59 -9.297 -10.575 7.719 1.00 0.00 C ATOM 873 CG LYS A 59 -9.679 -11.759 6.827 1.00 0.00 C ATOM 874 CD LYS A 59 -8.573 -12.815 6.815 1.00 0.00 C ATOM 875 CE LYS A 59 -9.071 -14.138 7.402 1.00 0.00 C ATOM 876 NZ LYS A 59 -9.940 -14.840 6.431 1.00 0.00 N ATOM 0 H LYS A 59 -6.560 -10.023 6.178 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.775 -9.633 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.741 -10.932 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.199 -10.093 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.608 -12.204 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.864 -11.409 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.228 -12.973 5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.718 -12.458 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.222 -14.770 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.623 -13.950 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.270 -15.736 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.759 -14.242 6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.402 -15.037 5.563 1.00 0.00 H new ATOM 889 N LYS A 60 -7.581 -7.410 7.607 1.00 0.00 N ATOM 890 CA LYS A 60 -7.649 -6.021 8.027 1.00 0.00 C ATOM 891 C LYS A 60 -7.269 -5.117 6.852 1.00 0.00 C ATOM 892 O LYS A 60 -6.442 -5.489 6.021 1.00 0.00 O ATOM 893 CB LYS A 60 -6.794 -5.797 9.277 1.00 0.00 C ATOM 894 CG LYS A 60 -7.145 -6.808 10.369 1.00 0.00 C ATOM 895 CD LYS A 60 -8.188 -6.236 11.332 1.00 0.00 C ATOM 896 CE LYS A 60 -9.604 -6.624 10.900 1.00 0.00 C ATOM 897 NZ LYS A 60 -10.209 -7.552 11.881 1.00 0.00 N ATOM 0 H LYS A 60 -6.636 -7.779 7.504 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.668 -5.759 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.738 -5.885 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.948 -4.785 9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.527 -7.722 9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.245 -7.079 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.998 -6.604 12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.099 -5.150 11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.220 -5.730 10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.575 -7.093 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.169 -7.805 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.629 -8.413 11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.255 -7.091 12.812 1.00 0.00 H new ATOM 910 N GLY A 61 -7.892 -3.948 6.820 1.00 0.00 N ATOM 911 CA GLY A 61 -7.629 -2.989 5.761 1.00 0.00 C ATOM 912 C GLY A 61 -8.636 -3.144 4.620 1.00 0.00 C ATOM 913 O GLY A 61 -9.363 -4.129 4.520 1.00 0.00 O ATOM 0 H GLY A 61 -8.578 -3.643 7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.680 -1.976 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.618 -3.130 5.380 1.00 0.00 H new ATOM 917 N PRO A 62 -8.662 -2.132 3.749 1.00 0.00 N ATOM 918 CA PRO A 62 -9.534 -2.070 2.596 1.00 0.00 C ATOM 919 C PRO A 62 -9.092 -3.099 1.566 1.00 0.00 C ATOM 920 O PRO A 62 -7.944 -3.043 1.126 1.00 0.00 O ATOM 921 CB PRO A 62 -9.370 -0.650 2.057 1.00 0.00 C ATOM 922 CG PRO A 62 -8.022 -0.229 2.510 1.00 0.00 C ATOM 923 CD PRO A 62 -7.821 -0.957 3.837 1.00 0.00 C ATOM 0 HA PRO A 62 -10.574 -2.289 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.447 -0.628 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.143 0.013 2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.256 -0.505 1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.966 0.852 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.776 -1.229 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.108 -0.328 4.680 1.00 0.00 H new ATOM 931 N THR A 63 -9.990 -4.004 1.207 1.00 0.00 N ATOM 932 CA THR A 63 -9.669 -5.031 0.231 1.00 0.00 C ATOM 933 C THR A 63 -10.625 -4.953 -0.961 1.00 0.00 C ATOM 934 O THR A 63 -10.423 -5.628 -1.969 1.00 0.00 O ATOM 935 CB THR A 63 -9.696 -6.385 0.944 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.066 -6.569 1.288 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.974 -6.351 2.292 1.00 0.00 C ATOM 0 H THR A 63 -10.940 -4.047 1.575 1.00 0.00 H new ATOM 0 HA THR A 63 -8.671 -4.885 -0.183 1.00 0.00 H new ATOM 0 HB THR A 63 -9.237 -7.140 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.174 -7.425 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.023 -7.336 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.931 -6.073 2.139 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.453 -5.620 2.943 1.00 0.00 H new ATOM 945 N LYS A 64 -11.646 -4.123 -0.806 1.00 0.00 N ATOM 946 CA LYS A 64 -12.634 -3.948 -1.857 1.00 0.00 C ATOM 947 C LYS A 64 -12.255 -2.736 -2.711 1.00 0.00 C ATOM 948 O LYS A 64 -11.528 -1.854 -2.255 1.00 0.00 O ATOM 949 CB LYS A 64 -14.041 -3.864 -1.261 1.00 0.00 C ATOM 950 CG LYS A 64 -14.248 -4.938 -0.191 1.00 0.00 C ATOM 951 CD LYS A 64 -13.906 -4.400 1.199 1.00 0.00 C ATOM 952 CE LYS A 64 -15.150 -4.346 2.088 1.00 0.00 C ATOM 953 NZ LYS A 64 -15.083 -3.187 3.005 1.00 0.00 N ATOM 0 H LYS A 64 -11.810 -3.564 0.031 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.644 -4.814 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.197 -2.877 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.782 -3.985 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.283 -5.279 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.624 -5.803 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.151 -5.035 1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.474 -3.403 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.044 -4.275 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.233 -5.268 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.047 -2.876 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.584 -3.461 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.572 -2.408 2.543 1.00 0.00 H new ATOM 966 N CYS A 65 -12.764 -2.732 -3.934 1.00 0.00 N ATOM 967 CA CYS A 65 -12.487 -1.643 -4.856 1.00 0.00 C ATOM 968 C CYS A 65 -13.239 -0.401 -4.372 1.00 0.00 C ATOM 969 O CYS A 65 -14.210 -0.511 -3.624 1.00 0.00 O ATOM 970 CB CYS A 65 -12.858 -2.011 -6.293 1.00 0.00 C ATOM 971 SG CYS A 65 -12.814 -3.803 -6.663 1.00 0.00 S ATOM 0 H CYS A 65 -13.366 -3.465 -4.308 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.417 -1.437 -4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.860 -1.636 -6.502 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.177 -1.497 -6.972 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.147 -3.998 -7.904 1.00 0.00 H new ATOM 976 N GLY A 66 -12.762 0.751 -4.818 1.00 0.00 N ATOM 977 CA GLY A 66 -13.377 2.012 -4.440 1.00 0.00 C ATOM 978 C GLY A 66 -12.785 2.541 -3.132 1.00 0.00 C ATOM 979 O GLY A 66 -12.646 3.750 -2.954 1.00 0.00 O ATOM 0 H GLY A 66 -11.957 0.838 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.229 2.745 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.453 1.877 -4.328 1.00 0.00 H new ATOM 983 N GLU A 67 -12.453 1.609 -2.251 1.00 0.00 N ATOM 984 CA GLU A 67 -11.879 1.966 -0.965 1.00 0.00 C ATOM 985 C GLU A 67 -10.436 2.444 -1.142 1.00 0.00 C ATOM 986 O GLU A 67 -9.887 3.108 -0.264 1.00 0.00 O ATOM 987 CB GLU A 67 -11.951 0.791 0.013 1.00 0.00 C ATOM 988 CG GLU A 67 -12.457 1.248 1.382 1.00 0.00 C ATOM 989 CD GLU A 67 -12.485 0.083 2.373 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.796 -1.053 1.986 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.167 0.390 3.585 1.00 0.00 O ATOM 0 H GLU A 67 -12.571 0.607 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.463 2.784 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.613 0.022 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.964 0.340 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.814 2.041 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.457 1.669 1.282 1.00 0.00 H new ATOM 999 N CYS A 68 -9.864 2.087 -2.282 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.496 2.471 -2.585 1.00 0.00 C ATOM 1001 C CYS A 68 -8.522 3.461 -3.752 1.00 0.00 C ATOM 1002 O CYS A 68 -7.893 4.516 -3.690 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.620 1.254 -2.889 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.487 0.933 -1.488 1.00 0.00 S ATOM 0 H CYS A 68 -10.323 1.536 -3.007 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.049 2.949 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.247 0.380 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.046 1.427 -3.799 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.749 -0.104 -1.755 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.256 3.085 -4.789 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.372 3.925 -5.968 1.00 0.00 C ATOM 1011 C HIS A 69 -10.530 4.909 -5.785 1.00 0.00 C ATOM 1012 O HIS A 69 -11.694 4.536 -5.924 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.512 3.074 -7.231 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.363 2.120 -7.459 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.103 2.542 -7.844 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.298 0.762 -7.351 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.323 1.478 -7.960 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.065 0.375 -7.655 1.00 0.00 N ATOM 0 H HIS A 69 -9.777 2.209 -4.837 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.460 4.509 -6.093 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.439 2.503 -7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.599 3.734 -8.094 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.822 3.508 -8.010 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.112 0.112 -7.066 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.282 1.483 -8.246 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.170 6.146 -5.476 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.165 7.186 -5.272 1.00 0.00 C ATOM 1028 C LYS A 70 -11.122 8.163 -6.448 1.00 0.00 C ATOM 1029 O LYS A 70 -10.115 8.836 -6.665 1.00 0.00 O ATOM 1030 CB LYS A 70 -10.970 7.854 -3.909 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.651 7.048 -2.802 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.679 7.901 -2.056 1.00 0.00 C ATOM 1033 CE LYS A 70 -13.965 7.113 -1.802 1.00 0.00 C ATOM 1034 NZ LYS A 70 -14.734 6.958 -3.056 1.00 0.00 N ATOM 0 H LYS A 70 -9.204 6.452 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.167 6.757 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.905 7.946 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.379 8.864 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.141 6.175 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.901 6.680 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.260 8.235 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.905 8.795 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.723 6.132 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.572 7.627 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.698 6.638 -2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.777 7.871 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.268 6.256 -3.665 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.227 8.212 -7.177 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.329 9.096 -8.325 1.00 0.00 C ATOM 1049 C LYS A 71 -12.642 10.514 -7.845 1.00 0.00 C ATOM 1050 O LYS A 71 -12.986 11.383 -8.645 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.342 8.550 -9.334 1.00 0.00 C ATOM 1052 CG LYS A 71 -13.284 9.333 -10.647 1.00 0.00 C ATOM 1053 CD LYS A 71 -13.789 8.483 -11.815 1.00 0.00 C ATOM 1054 CE LYS A 71 -14.317 9.366 -12.947 1.00 0.00 C ATOM 1055 NZ LYS A 71 -13.207 9.810 -13.819 1.00 0.00 N ATOM 0 H LYS A 71 -13.060 7.653 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.378 9.142 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.138 7.496 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.346 8.610 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.888 10.237 -10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.259 9.651 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.981 7.853 -12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.580 7.817 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.050 8.814 -13.535 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.830 10.233 -12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.583 10.408 -14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.521 10.355 -13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.735 8.980 -14.231 1.00 0.00 H new