USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 682 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 58 ASN : amide:sc= 0.741 K(o=0.57,f=-0.17) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= -0.167 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.61 K(o=-1.2,f=-6.3!) USER MOD Set 2.2: A 43 TYR OH : rot 0:sc= 0.416 USER MOD Set 3.1: A 11 LYS NZ :NH3+ 158:sc= 1.14 (180deg=-0.108) USER MOD Set 3.2: A 14 GLN : amide:sc= -1.45! C(o=-0.31!,f=-7.1!) USER MOD Single : A 1 MET CE :methyl 178:sc= -1.8! (180deg=-1.93) USER MOD Single : A 3 GLN :FLIP amide:sc= 0.257 F(o=-8.2!,f=0.26) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLY N :NH3+ -135:sc= 0.12 (180deg=0) USER MOD Single : A 16 CYS SG : rot 63:sc= 1.06 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 21 THR OG1 : rot 156:sc= -1.26! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -162:sc= 1.29 USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 1.09 (180deg=0.521) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0038 F(o=-1.1,f=-0.0038) USER MOD Single : A 36 GLN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 51 CYS SG : rot 149:sc= 1.03 USER MOD Single : A 54 TYR OH : rot -15:sc= -0.0784 USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.919) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -25:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -60:sc= 1.26 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-3.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 51:sc= 0.0094 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 56.039 0.843 5.838 1.00 0.00 N ATOM 2 CA GLY A -1 56.519 0.677 4.476 1.00 0.00 C ATOM 3 C GLY A -1 55.513 -0.064 3.653 1.00 0.00 C ATOM 4 O GLY A -1 54.321 -0.082 4.006 1.00 0.00 O ATOM 0 H1 GLY A -1 56.210 1.820 6.150 1.00 0.00 H new ATOM 0 H2 GLY A -1 55.019 0.642 5.874 1.00 0.00 H new ATOM 0 H3 GLY A -1 56.543 0.186 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A -1 56.714 1.653 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A -1 57.464 0.134 4.481 1.00 0.00 H new ATOM 10 N ALA A 0 55.973 -0.686 2.581 1.00 0.00 N ATOM 11 CA ALA A 0 55.132 -1.446 1.674 1.00 0.00 C ATOM 12 C ALA A 0 56.021 -2.154 0.691 1.00 0.00 C ATOM 13 O ALA A 0 57.208 -1.807 0.570 1.00 0.00 O ATOM 14 CB ALA A 0 54.180 -0.525 0.910 1.00 0.00 C ATOM 0 H ALA A 0 56.957 -0.677 2.313 1.00 0.00 H new ATOM 0 HA ALA A 0 54.537 -2.156 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 0 53.561 -1.119 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 0 53.542 0.006 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 0 54.757 0.195 0.331 1.00 0.00 H new ATOM 20 N MET A 1 55.489 -3.134 0.007 1.00 0.00 N ATOM 21 CA MET A 1 56.230 -3.778 -1.018 1.00 0.00 C ATOM 22 C MET A 1 56.029 -3.055 -2.319 1.00 0.00 C ATOM 23 O MET A 1 54.954 -2.524 -2.583 1.00 0.00 O ATOM 24 CB MET A 1 55.950 -5.291 -1.119 1.00 0.00 C ATOM 25 CG MET A 1 54.518 -5.761 -1.338 1.00 0.00 C ATOM 26 SD MET A 1 53.752 -5.305 -2.924 1.00 0.00 S ATOM 27 CE MET A 1 54.993 -5.839 -4.097 1.00 0.00 C ATOM 0 H MET A 1 54.546 -3.495 0.149 1.00 0.00 H new ATOM 0 HA MET A 1 57.286 -3.720 -0.754 1.00 0.00 H new ATOM 0 HB2 MET A 1 56.555 -5.684 -1.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 56.313 -5.755 -0.202 1.00 0.00 H new ATOM 0 HG2 MET A 1 54.497 -6.847 -1.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 53.901 -5.363 -0.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 54.639 -5.653 -5.111 1.00 0.00 H new ATOM 0 HE2 MET A 1 55.916 -5.285 -3.927 1.00 0.00 H new ATOM 0 HE3 MET A 1 55.181 -6.905 -3.968 1.00 0.00 H new ATOM 37 N PHE A 2 57.060 -2.954 -3.085 1.00 0.00 N ATOM 38 CA PHE A 2 57.002 -2.265 -4.341 1.00 0.00 C ATOM 39 C PHE A 2 56.976 -3.208 -5.516 1.00 0.00 C ATOM 40 O PHE A 2 57.780 -4.137 -5.599 1.00 0.00 O ATOM 41 CB PHE A 2 58.117 -1.258 -4.465 1.00 0.00 C ATOM 42 CG PHE A 2 57.959 -0.057 -3.604 1.00 0.00 C ATOM 43 CD1 PHE A 2 56.758 0.619 -3.535 1.00 0.00 C ATOM 44 CD2 PHE A 2 59.018 0.413 -2.893 1.00 0.00 C ATOM 45 CE1 PHE A 2 56.634 1.737 -2.759 1.00 0.00 C ATOM 46 CE2 PHE A 2 58.918 1.502 -2.138 1.00 0.00 C ATOM 47 CZ PHE A 2 57.721 2.188 -2.053 1.00 0.00 C ATOM 0 H PHE A 2 57.975 -3.347 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 2 56.057 -1.722 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 2 59.060 -1.746 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 2 58.187 -0.938 -5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 2 55.909 0.262 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 2 59.961 -0.110 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 2 55.691 2.260 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 2 59.778 1.853 -1.587 1.00 0.00 H new ATOM 0 HZ PHE A 2 57.642 3.071 -1.436 1.00 0.00 H new ATOM 57 N GLN A 3 56.104 -2.942 -6.439 1.00 0.00 N ATOM 58 CA GLN A 3 55.933 -3.771 -7.597 1.00 0.00 C ATOM 59 C GLN A 3 56.879 -3.385 -8.752 1.00 0.00 C ATOM 60 O GLN A 3 57.634 -2.401 -8.668 1.00 0.00 O ATOM 61 CB GLN A 3 54.476 -3.828 -8.060 1.00 0.00 C ATOM 62 CG GLN A 3 53.764 -5.200 -7.900 1.00 0.00 C ATOM 63 CD GLN A 3 54.347 -6.348 -8.765 1.00 0.00 C ATOM 64 OE1 GLN A 3 55.667 -6.467 -8.851 1.00 0.00 O flip ATOM 65 NE2 GLN A 3 53.597 -7.208 -9.228 1.00 0.00 N flip ATOM 0 H GLN A 3 55.482 -2.134 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 3 56.213 -4.778 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 3 53.910 -3.080 -7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 3 54.438 -3.542 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 3 53.810 -5.496 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 3 52.710 -5.076 -8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 3 52.586 -7.098 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 3 53.987 -8.031 -9.688 1.00 0.00 H new ATOM 74 N ASP A 4 56.867 -4.209 -9.792 1.00 0.00 N ATOM 75 CA ASP A 4 57.707 -4.056 -10.933 1.00 0.00 C ATOM 76 C ASP A 4 57.032 -3.094 -11.922 1.00 0.00 C ATOM 77 O ASP A 4 55.817 -2.892 -11.834 1.00 0.00 O ATOM 78 CB ASP A 4 57.955 -5.427 -11.607 1.00 0.00 C ATOM 79 CG ASP A 4 56.747 -6.003 -12.312 1.00 0.00 C ATOM 80 OD1 ASP A 4 55.956 -6.701 -11.675 1.00 0.00 O ATOM 81 OD2 ASP A 4 56.587 -5.787 -13.534 1.00 0.00 O ATOM 0 H ASP A 4 56.249 -5.019 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 4 58.670 -3.649 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 4 58.766 -5.323 -12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 4 58.291 -6.135 -10.850 1.00 0.00 H new ATOM 86 N PRO A 5 57.777 -2.472 -12.859 1.00 0.00 N ATOM 87 CA PRO A 5 59.229 -2.607 -12.987 1.00 0.00 C ATOM 88 C PRO A 5 59.973 -1.688 -12.014 1.00 0.00 C ATOM 89 O PRO A 5 60.669 -2.153 -11.103 1.00 0.00 O ATOM 90 CB PRO A 5 59.509 -2.183 -14.449 1.00 0.00 C ATOM 91 CG PRO A 5 58.160 -1.911 -15.055 1.00 0.00 C ATOM 92 CD PRO A 5 57.239 -1.617 -13.910 1.00 0.00 C ATOM 0 HA PRO A 5 59.569 -3.616 -12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 5 60.142 -1.296 -14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 5 60.032 -2.970 -14.992 1.00 0.00 H new ATOM 0 HG2 PRO A 5 58.206 -1.068 -15.744 1.00 0.00 H new ATOM 0 HG3 PRO A 5 57.809 -2.771 -15.626 1.00 0.00 H new ATOM 0 HD2 PRO A 5 57.260 -0.564 -13.630 1.00 0.00 H new ATOM 0 HD3 PRO A 5 56.204 -1.863 -14.146 1.00 0.00 H new ATOM 100 N GLN A 6 59.810 -0.395 -12.181 1.00 0.00 N ATOM 101 CA GLN A 6 60.479 0.546 -11.333 1.00 0.00 C ATOM 102 C GLN A 6 59.479 1.406 -10.600 1.00 0.00 C ATOM 103 O GLN A 6 59.330 2.592 -10.883 1.00 0.00 O ATOM 104 CB GLN A 6 61.470 1.419 -12.110 1.00 0.00 C ATOM 105 CG GLN A 6 62.594 0.655 -12.782 1.00 0.00 C ATOM 106 CD GLN A 6 63.511 1.574 -13.547 1.00 0.00 C ATOM 107 OE1 GLN A 6 63.304 1.841 -14.730 1.00 0.00 O ATOM 108 NE2 GLN A 6 64.510 2.080 -12.896 1.00 0.00 N ATOM 0 H GLN A 6 59.218 0.022 -12.899 1.00 0.00 H new ATOM 0 HA GLN A 6 61.053 -0.027 -10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 6 60.923 1.978 -12.870 1.00 0.00 H new ATOM 0 HB3 GLN A 6 61.903 2.150 -11.427 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.167 0.113 -12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.175 -0.088 -13.460 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.655 1.839 -11.916 1.00 0.00 H new ATOM 0 HE22 GLN A 6 65.152 2.720 -13.364 1.00 0.00 H new ATOM 117 N GLU A 7 58.717 0.784 -9.724 1.00 0.00 N ATOM 118 CA GLU A 7 57.794 1.525 -8.865 1.00 0.00 C ATOM 119 C GLU A 7 58.608 2.125 -7.734 1.00 0.00 C ATOM 120 O GLU A 7 58.284 3.145 -7.137 1.00 0.00 O ATOM 121 CB GLU A 7 56.695 0.589 -8.354 1.00 0.00 C ATOM 122 CG GLU A 7 55.658 1.232 -7.458 1.00 0.00 C ATOM 123 CD GLU A 7 54.616 0.245 -7.000 1.00 0.00 C ATOM 124 OE1 GLU A 7 54.906 -0.572 -6.114 1.00 0.00 O ATOM 125 OE2 GLU A 7 53.487 0.257 -7.521 1.00 0.00 O ATOM 0 H GLU A 7 58.712 -0.226 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 7 57.295 2.326 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 7 56.187 0.151 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 7 57.164 -0.230 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 56.151 1.668 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 7 55.173 2.049 -7.993 1.00 0.00 H new ATOM 132 N ARG A 8 59.717 1.520 -7.551 1.00 0.00 N ATOM 133 CA ARG A 8 60.661 1.877 -6.570 1.00 0.00 C ATOM 134 C ARG A 8 61.999 2.215 -7.247 1.00 0.00 C ATOM 135 O ARG A 8 62.286 1.681 -8.327 1.00 0.00 O ATOM 136 CB ARG A 8 60.775 0.791 -5.496 1.00 0.00 C ATOM 137 CG ARG A 8 61.372 -0.537 -5.887 1.00 0.00 C ATOM 138 CD ARG A 8 60.576 -1.370 -6.909 1.00 0.00 C ATOM 139 NE ARG A 8 61.422 -2.387 -7.567 1.00 0.00 N ATOM 140 CZ ARG A 8 61.060 -3.664 -7.865 1.00 0.00 C ATOM 141 NH1 ARG A 8 59.925 -4.176 -7.410 1.00 0.00 N ATOM 142 NH2 ARG A 8 61.861 -4.427 -8.601 1.00 0.00 N ATOM 0 H ARG A 8 60.005 0.719 -8.113 1.00 0.00 H new ATOM 0 HA ARG A 8 60.330 2.773 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 8 61.369 1.195 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 8 59.775 0.604 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 8 62.368 -0.358 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 8 61.499 -1.134 -4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 8 59.742 -1.861 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 8 60.150 -0.709 -7.663 1.00 0.00 H new ATOM 0 HE ARG A 8 62.368 -2.104 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 8 59.308 -3.611 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 8 59.669 -5.135 -7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 8 62.747 -4.055 -8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 8 61.590 -5.385 -8.824 1.00 0.00 H new ATOM 156 N PRO A 9 62.799 3.122 -6.641 1.00 0.00 N ATOM 157 CA PRO A 9 64.060 3.641 -7.228 1.00 0.00 C ATOM 158 C PRO A 9 65.243 2.699 -7.052 1.00 0.00 C ATOM 159 O PRO A 9 65.101 1.496 -7.084 1.00 0.00 O ATOM 160 CB PRO A 9 64.336 4.887 -6.381 1.00 0.00 C ATOM 161 CG PRO A 9 63.649 4.683 -5.111 1.00 0.00 C ATOM 162 CD PRO A 9 62.546 3.701 -5.314 1.00 0.00 C ATOM 0 HA PRO A 9 63.951 3.797 -8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 9 65.406 5.022 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 9 63.971 5.784 -6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 9 64.347 4.316 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 9 63.250 5.628 -4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.552 2.934 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.571 4.187 -5.274 1.00 0.00 H new ATOM 170 N ARG A 10 66.437 3.292 -7.000 1.00 0.00 N ATOM 171 CA ARG A 10 67.642 2.619 -6.641 1.00 0.00 C ATOM 172 C ARG A 10 68.442 3.463 -5.651 1.00 0.00 C ATOM 173 O ARG A 10 69.545 3.090 -5.256 1.00 0.00 O ATOM 174 CB ARG A 10 68.448 2.350 -7.875 1.00 0.00 C ATOM 175 CG ARG A 10 67.823 1.343 -8.808 1.00 0.00 C ATOM 176 CD ARG A 10 67.905 -0.090 -8.294 1.00 0.00 C ATOM 177 NE ARG A 10 69.280 -0.600 -8.328 1.00 0.00 N ATOM 178 CZ ARG A 10 69.753 -1.433 -9.271 1.00 0.00 C ATOM 179 NH1 ARG A 10 68.931 -1.965 -10.178 1.00 0.00 N ATOM 180 NH2 ARG A 10 71.038 -1.744 -9.301 1.00 0.00 N ATOM 0 H ARG A 10 66.574 4.279 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 10 67.399 1.671 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 10 68.594 3.287 -8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 10 69.435 1.994 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 10 66.777 1.605 -8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 10 68.316 1.402 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 10 67.526 -0.133 -7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 10 67.264 -0.731 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 10 69.918 -0.304 -7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 10 67.936 -1.740 -10.159 1.00 0.00 H new ATOM 0 HH12 ARG A 10 69.298 -2.596 -10.890 1.00 0.00 H new ATOM 0 HH21 ARG A 10 71.674 -1.351 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 10 71.393 -2.376 -10.018 1.00 0.00 H new ATOM 194 N LYS A 11 67.886 4.608 -5.240 1.00 0.00 N ATOM 195 CA LYS A 11 68.553 5.444 -4.272 1.00 0.00 C ATOM 196 C LYS A 11 67.775 5.441 -2.984 1.00 0.00 C ATOM 197 O LYS A 11 66.553 5.439 -3.014 1.00 0.00 O ATOM 198 CB LYS A 11 68.632 6.873 -4.730 1.00 0.00 C ATOM 199 CG LYS A 11 69.255 7.106 -6.079 1.00 0.00 C ATOM 200 CD LYS A 11 69.559 8.572 -6.210 1.00 0.00 C ATOM 201 CE LYS A 11 70.084 8.958 -7.582 1.00 0.00 C ATOM 202 NZ LYS A 11 69.084 8.740 -8.646 1.00 0.00 N ATOM 0 H LYS A 11 66.987 4.962 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 11 69.558 5.043 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 11 67.623 7.284 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 11 69.197 7.439 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 11 70.167 6.518 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.578 6.786 -6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 11 68.655 9.143 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 11 70.294 8.852 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.379 10.007 -7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.979 8.377 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 69.315 9.335 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 69.092 7.740 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 68.139 8.991 -8.291 1.00 0.00 H new ATOM 216 N LEU A 12 68.471 5.496 -1.877 1.00 0.00 N ATOM 217 CA LEU A 12 67.875 5.526 -0.549 1.00 0.00 C ATOM 218 C LEU A 12 66.938 6.731 -0.286 1.00 0.00 C ATOM 219 O LEU A 12 65.771 6.527 0.054 1.00 0.00 O ATOM 220 CB LEU A 12 68.953 5.442 0.530 1.00 0.00 C ATOM 221 CG LEU A 12 68.479 5.742 1.945 1.00 0.00 C ATOM 222 CD1 LEU A 12 67.439 4.752 2.389 1.00 0.00 C ATOM 223 CD2 LEU A 12 69.619 5.715 2.887 1.00 0.00 C ATOM 0 H LEU A 12 69.491 5.522 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 12 67.235 4.645 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 69.384 4.441 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 12 69.753 6.138 0.277 1.00 0.00 H new ATOM 0 HG LEU A 12 68.035 6.737 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 12 67.119 4.991 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 12 66.582 4.799 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 12 67.861 3.747 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 12 69.264 5.931 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 12 70.082 4.728 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 12 70.353 6.465 2.592 1.00 0.00 H new ATOM 235 N PRO A 13 67.397 7.996 -0.451 1.00 0.00 N ATOM 236 CA PRO A 13 66.582 9.160 -0.089 1.00 0.00 C ATOM 237 C PRO A 13 65.383 9.287 -1.032 1.00 0.00 C ATOM 238 O PRO A 13 64.288 9.705 -0.650 1.00 0.00 O ATOM 239 CB PRO A 13 67.584 10.322 -0.219 1.00 0.00 C ATOM 240 CG PRO A 13 68.509 9.882 -1.292 1.00 0.00 C ATOM 241 CD PRO A 13 68.699 8.415 -1.055 1.00 0.00 C ATOM 0 HA PRO A 13 66.138 9.114 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 13 67.083 11.253 -0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 13 68.114 10.498 0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 13 68.088 10.072 -2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 13 69.457 10.417 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 13 68.903 7.880 -1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 13 69.536 8.220 -0.384 1.00 0.00 H new ATOM 249 N GLN A 14 65.617 8.886 -2.247 1.00 0.00 N ATOM 250 CA GLN A 14 64.649 8.895 -3.304 1.00 0.00 C ATOM 251 C GLN A 14 63.590 7.814 -3.008 1.00 0.00 C ATOM 252 O GLN A 14 62.412 8.025 -3.212 1.00 0.00 O ATOM 253 CB GLN A 14 65.405 8.603 -4.587 1.00 0.00 C ATOM 254 CG GLN A 14 64.836 9.197 -5.842 1.00 0.00 C ATOM 255 CD GLN A 14 65.659 8.799 -7.050 1.00 0.00 C ATOM 256 OE1 GLN A 14 66.631 9.453 -7.413 1.00 0.00 O ATOM 257 NE2 GLN A 14 65.264 7.756 -7.691 1.00 0.00 N ATOM 0 H GLN A 14 66.526 8.529 -2.541 1.00 0.00 H new ATOM 0 HA GLN A 14 64.132 9.850 -3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.428 8.962 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.459 7.522 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 14 63.806 8.864 -5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 14 64.811 10.283 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 14 64.452 7.233 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 14 65.763 7.452 -8.527 1.00 0.00 H new ATOM 266 N LEU A 15 64.041 6.662 -2.503 1.00 0.00 N ATOM 267 CA LEU A 15 63.167 5.583 -2.089 1.00 0.00 C ATOM 268 C LEU A 15 62.258 6.020 -0.991 1.00 0.00 C ATOM 269 O LEU A 15 61.091 5.729 -1.014 1.00 0.00 O ATOM 270 CB LEU A 15 63.995 4.430 -1.594 1.00 0.00 C ATOM 271 CG LEU A 15 63.246 3.250 -1.048 1.00 0.00 C ATOM 272 CD1 LEU A 15 62.357 2.612 -2.097 1.00 0.00 C ATOM 273 CD2 LEU A 15 64.221 2.278 -0.539 1.00 0.00 C ATOM 0 H LEU A 15 65.032 6.460 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 15 62.567 5.285 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 15 64.623 4.084 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 15 64.663 4.800 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 15 62.592 3.586 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 15 61.833 1.762 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 15 61.631 3.343 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 15 62.968 2.272 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 15 63.695 1.412 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 15 64.876 1.961 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 15 64.817 2.739 0.249 1.00 0.00 H new ATOM 285 N CYS A 16 62.806 6.718 -0.041 1.00 0.00 N ATOM 286 CA CYS A 16 62.050 7.214 1.097 1.00 0.00 C ATOM 287 C CYS A 16 60.827 8.018 0.625 1.00 0.00 C ATOM 288 O CYS A 16 59.761 7.939 1.234 1.00 0.00 O ATOM 289 CB CYS A 16 62.959 8.074 1.952 1.00 0.00 C ATOM 290 SG CYS A 16 64.396 7.213 2.625 1.00 0.00 S ATOM 0 H CYS A 16 63.795 6.967 -0.023 1.00 0.00 H new ATOM 0 HA CYS A 16 61.686 6.373 1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 16 63.305 8.918 1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 16 62.378 8.484 2.778 1.00 0.00 H new ATOM 0 HG CYS A 16 65.157 6.811 1.650 1.00 0.00 H new ATOM 296 N THR A 17 60.992 8.742 -0.473 1.00 0.00 N ATOM 297 CA THR A 17 59.924 9.470 -1.101 1.00 0.00 C ATOM 298 C THR A 17 58.775 8.519 -1.487 1.00 0.00 C ATOM 299 O THR A 17 57.606 8.792 -1.196 1.00 0.00 O ATOM 300 CB THR A 17 60.473 10.181 -2.323 1.00 0.00 C ATOM 301 OG1 THR A 17 61.476 11.138 -1.912 1.00 0.00 O ATOM 302 CG2 THR A 17 59.384 10.843 -3.147 1.00 0.00 C ATOM 0 H THR A 17 61.888 8.835 -0.951 1.00 0.00 H new ATOM 0 HA THR A 17 59.520 10.206 -0.405 1.00 0.00 H new ATOM 0 HB THR A 17 60.931 9.434 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 17 61.833 11.597 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 17 59.830 11.338 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 17 58.676 10.088 -3.488 1.00 0.00 H new ATOM 0 HG23 THR A 17 58.863 11.580 -2.536 1.00 0.00 H new ATOM 310 N GLU A 18 59.120 7.406 -2.116 1.00 0.00 N ATOM 311 CA GLU A 18 58.207 6.369 -2.449 1.00 0.00 C ATOM 312 C GLU A 18 57.434 5.847 -1.252 1.00 0.00 C ATOM 313 O GLU A 18 56.218 5.701 -1.296 1.00 0.00 O ATOM 314 CB GLU A 18 58.964 5.276 -3.112 1.00 0.00 C ATOM 315 CG GLU A 18 59.102 5.472 -4.581 1.00 0.00 C ATOM 316 CD GLU A 18 59.889 6.681 -5.056 1.00 0.00 C ATOM 317 OE1 GLU A 18 59.377 7.818 -5.007 1.00 0.00 O ATOM 318 OE2 GLU A 18 60.985 6.498 -5.586 1.00 0.00 O ATOM 0 H GLU A 18 60.077 7.211 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 18 57.455 6.778 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 18 59.956 5.206 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 18 58.462 4.327 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 18 59.572 4.580 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 18 58.101 5.533 -5.008 1.00 0.00 H new ATOM 325 N LEU A 19 58.134 5.584 -0.187 1.00 0.00 N ATOM 326 CA LEU A 19 57.539 5.128 1.033 1.00 0.00 C ATOM 327 C LEU A 19 56.894 6.247 1.834 1.00 0.00 C ATOM 328 O LEU A 19 56.406 6.001 2.950 1.00 0.00 O ATOM 329 CB LEU A 19 58.569 4.397 1.861 1.00 0.00 C ATOM 330 CG LEU A 19 59.080 3.062 1.304 1.00 0.00 C ATOM 331 CD1 LEU A 19 60.153 3.294 0.321 1.00 0.00 C ATOM 332 CD2 LEU A 19 59.555 2.185 2.408 1.00 0.00 C ATOM 0 H LEU A 19 59.148 5.682 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 19 56.733 4.445 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 19 59.425 5.058 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 19 58.144 4.214 2.848 1.00 0.00 H new ATOM 0 HG LEU A 19 58.257 2.557 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 19 60.505 2.338 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 19 59.769 3.898 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 19 60.979 3.818 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 19 59.914 1.242 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 19 60.366 2.680 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 19 58.733 1.990 3.097 1.00 0.00 H new ATOM 344 N GLN A 20 56.902 7.469 1.269 1.00 0.00 N ATOM 345 CA GLN A 20 56.251 8.646 1.856 1.00 0.00 C ATOM 346 C GLN A 20 56.804 8.943 3.238 1.00 0.00 C ATOM 347 O GLN A 20 56.082 9.388 4.145 1.00 0.00 O ATOM 348 CB GLN A 20 54.755 8.403 1.918 1.00 0.00 C ATOM 349 CG GLN A 20 54.093 8.270 0.559 1.00 0.00 C ATOM 350 CD GLN A 20 52.609 8.011 0.662 1.00 0.00 C ATOM 351 OE1 GLN A 20 51.946 8.440 1.607 1.00 0.00 O ATOM 352 NE2 GLN A 20 52.078 7.307 -0.295 1.00 0.00 N ATOM 0 H GLN A 20 57.367 7.665 0.382 1.00 0.00 H new ATOM 0 HA GLN A 20 56.453 9.516 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 20 54.569 7.495 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 20 54.286 9.224 2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 20 54.261 9.182 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 20 54.563 7.456 0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 20 52.659 6.969 -1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 20 51.081 7.094 -0.278 1.00 0.00 H new ATOM 361 N THR A 21 58.070 8.732 3.385 1.00 0.00 N ATOM 362 CA THR A 21 58.716 8.903 4.636 1.00 0.00 C ATOM 363 C THR A 21 60.169 9.366 4.394 1.00 0.00 C ATOM 364 O THR A 21 60.526 9.743 3.276 1.00 0.00 O ATOM 365 CB THR A 21 58.657 7.564 5.439 1.00 0.00 C ATOM 366 OG1 THR A 21 59.054 7.783 6.779 1.00 0.00 O ATOM 367 CG2 THR A 21 59.557 6.493 4.827 1.00 0.00 C ATOM 0 H THR A 21 58.688 8.433 2.630 1.00 0.00 H new ATOM 0 HA THR A 21 58.211 9.667 5.228 1.00 0.00 H new ATOM 0 HB THR A 21 57.626 7.212 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 21 58.669 7.087 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 21 59.486 5.578 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 21 59.239 6.292 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 21 60.589 6.843 4.824 1.00 0.00 H new ATOM 375 N THR A 22 60.987 9.376 5.412 1.00 0.00 N ATOM 376 CA THR A 22 62.358 9.764 5.243 1.00 0.00 C ATOM 377 C THR A 22 63.252 8.645 5.792 1.00 0.00 C ATOM 378 O THR A 22 62.741 7.665 6.346 1.00 0.00 O ATOM 379 CB THR A 22 62.648 11.072 5.995 1.00 0.00 C ATOM 380 OG1 THR A 22 61.422 11.831 6.101 1.00 0.00 O ATOM 381 CG2 THR A 22 63.650 11.911 5.203 1.00 0.00 C ATOM 0 H THR A 22 60.727 9.120 6.365 1.00 0.00 H new ATOM 0 HA THR A 22 62.560 9.927 4.184 1.00 0.00 H new ATOM 0 HB THR A 22 63.050 10.837 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 22 61.596 12.668 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 22 63.853 12.838 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 22 64.577 11.351 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 22 63.235 12.143 4.222 1.00 0.00 H new ATOM 389 N ILE A 23 64.580 8.815 5.678 1.00 0.00 N ATOM 390 CA ILE A 23 65.580 7.841 6.139 1.00 0.00 C ATOM 391 C ILE A 23 65.392 7.520 7.618 1.00 0.00 C ATOM 392 O ILE A 23 65.657 6.432 8.103 1.00 0.00 O ATOM 393 CB ILE A 23 66.982 8.427 6.017 1.00 0.00 C ATOM 394 CG1 ILE A 23 67.176 9.014 4.642 1.00 0.00 C ATOM 395 CG2 ILE A 23 68.021 7.340 6.281 1.00 0.00 C ATOM 396 CD1 ILE A 23 68.599 9.350 4.305 1.00 0.00 C ATOM 0 H ILE A 23 64.994 9.646 5.256 1.00 0.00 H new ATOM 0 HA ILE A 23 65.456 6.949 5.525 1.00 0.00 H new ATOM 0 HB ILE A 23 67.106 9.219 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 23 66.798 8.308 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.573 9.918 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 23 69.021 7.764 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 23 67.883 6.941 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 23 67.901 6.538 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 23 68.646 9.766 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 23 68.979 10.081 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 23 69.207 8.447 4.353 1.00 0.00 H new ATOM 408 N HIS A 24 64.867 8.494 8.270 1.00 0.00 N ATOM 409 CA HIS A 24 64.720 8.604 9.696 1.00 0.00 C ATOM 410 C HIS A 24 63.591 7.717 10.192 1.00 0.00 C ATOM 411 O HIS A 24 63.360 7.600 11.387 1.00 0.00 O ATOM 412 CB HIS A 24 64.358 10.079 10.002 1.00 0.00 C ATOM 413 CG HIS A 24 65.109 11.091 9.168 1.00 0.00 C ATOM 414 ND1 HIS A 24 66.290 10.805 8.539 1.00 0.00 N ATOM 415 CD2 HIS A 24 64.720 12.271 8.704 1.00 0.00 C ATOM 416 CE1 HIS A 24 66.575 11.772 7.689 1.00 0.00 C ATOM 417 NE2 HIS A 24 65.650 12.719 7.752 1.00 0.00 N ATOM 0 H HIS A 24 64.493 9.311 7.787 1.00 0.00 H new ATOM 0 HA HIS A 24 65.642 8.297 10.189 1.00 0.00 H new ATOM 0 HB2 HIS A 24 63.288 10.218 9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 24 64.554 10.278 11.056 1.00 0.00 H new ATOM 0 HD2 HIS A 24 63.831 12.802 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 24 67.436 11.790 7.037 1.00 0.00 H new ATOM 0 HE2 HIS A 24 65.620 13.589 7.221 1.00 0.00 H new ATOM 425 N ASP A 25 62.878 7.132 9.267 1.00 0.00 N ATOM 426 CA ASP A 25 61.710 6.329 9.588 1.00 0.00 C ATOM 427 C ASP A 25 61.659 5.055 8.750 1.00 0.00 C ATOM 428 O ASP A 25 61.267 4.005 9.246 1.00 0.00 O ATOM 429 CB ASP A 25 60.468 7.159 9.315 1.00 0.00 C ATOM 430 CG ASP A 25 59.163 6.469 9.680 1.00 0.00 C ATOM 431 OD1 ASP A 25 58.750 6.513 10.864 1.00 0.00 O ATOM 432 OD2 ASP A 25 58.510 5.899 8.771 1.00 0.00 O ATOM 0 H ASP A 25 63.083 7.193 8.270 1.00 0.00 H new ATOM 0 HA ASP A 25 61.763 6.037 10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 25 60.540 8.093 9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 25 60.444 7.419 8.257 1.00 0.00 H new ATOM 437 N ILE A 26 62.066 5.174 7.482 1.00 0.00 N ATOM 438 CA ILE A 26 62.028 4.088 6.482 1.00 0.00 C ATOM 439 C ILE A 26 62.538 2.734 6.968 1.00 0.00 C ATOM 440 O ILE A 26 63.625 2.614 7.564 1.00 0.00 O ATOM 441 CB ILE A 26 62.778 4.480 5.173 1.00 0.00 C ATOM 442 CG1 ILE A 26 62.749 3.325 4.173 1.00 0.00 C ATOM 443 CG2 ILE A 26 64.223 4.843 5.480 1.00 0.00 C ATOM 444 CD1 ILE A 26 63.224 3.672 2.793 1.00 0.00 C ATOM 0 H ILE A 26 62.441 6.046 7.108 1.00 0.00 H new ATOM 0 HA ILE A 26 60.963 3.962 6.285 1.00 0.00 H new ATOM 0 HB ILE A 26 62.273 5.343 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 26 63.365 2.513 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 26 61.729 2.947 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 26 64.734 5.114 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 26 64.248 5.687 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 26 64.724 3.988 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 26 63.167 2.789 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 26 62.595 4.460 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 26 64.256 4.019 2.840 1.00 0.00 H new ATOM 456 N ILE A 27 61.742 1.723 6.711 1.00 0.00 N ATOM 457 CA ILE A 27 62.115 0.399 6.988 1.00 0.00 C ATOM 458 C ILE A 27 62.729 -0.213 5.782 1.00 0.00 C ATOM 459 O ILE A 27 62.064 -0.501 4.781 1.00 0.00 O ATOM 460 CB ILE A 27 60.958 -0.440 7.552 1.00 0.00 C ATOM 461 CG1 ILE A 27 60.481 0.140 8.889 1.00 0.00 C ATOM 462 CG2 ILE A 27 61.346 -1.901 7.696 1.00 0.00 C ATOM 463 CD1 ILE A 27 61.530 0.156 9.994 1.00 0.00 C ATOM 0 H ILE A 27 60.814 1.821 6.300 1.00 0.00 H new ATOM 0 HA ILE A 27 62.863 0.417 7.781 1.00 0.00 H new ATOM 0 HB ILE A 27 60.132 -0.395 6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 27 60.135 1.160 8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 27 59.622 -0.436 9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 27 60.503 -2.463 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 27 61.619 -2.303 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 27 62.195 -1.987 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 27 61.099 0.584 10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 27 61.861 -0.863 10.196 1.00 0.00 H new ATOM 0 HD13 ILE A 27 62.382 0.759 9.678 1.00 0.00 H new ATOM 475 N LEU A 28 64.006 -0.365 5.884 1.00 0.00 N ATOM 476 CA LEU A 28 64.799 -0.916 4.875 1.00 0.00 C ATOM 477 C LEU A 28 65.487 -2.078 5.435 1.00 0.00 C ATOM 478 O LEU A 28 65.965 -1.991 6.587 1.00 0.00 O ATOM 479 CB LEU A 28 65.831 0.094 4.475 1.00 0.00 C ATOM 480 CG LEU A 28 65.894 0.291 3.006 1.00 0.00 C ATOM 481 CD1 LEU A 28 64.485 0.538 2.535 1.00 0.00 C ATOM 482 CD2 LEU A 28 66.776 1.456 2.678 1.00 0.00 C ATOM 0 H LEU A 28 64.533 -0.093 6.713 1.00 0.00 H new ATOM 0 HA LEU A 28 64.192 -1.197 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 28 65.609 1.046 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 28 66.808 -0.226 4.838 1.00 0.00 H new ATOM 0 HG LEU A 28 66.315 -0.584 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 28 64.483 0.689 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 28 63.863 -0.322 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 64.088 1.426 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 28 66.814 1.590 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 28 66.376 2.357 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 67.781 1.269 3.056 1.00 0.00 H new ATOM 494 N GLU A 29 65.569 -3.179 4.733 1.00 0.00 N ATOM 495 CA GLU A 29 66.337 -4.240 5.397 1.00 0.00 C ATOM 496 C GLU A 29 67.518 -4.667 4.649 1.00 0.00 C ATOM 497 O GLU A 29 67.882 -4.005 3.753 1.00 0.00 O ATOM 498 CB GLU A 29 65.545 -5.395 5.911 1.00 0.00 C ATOM 499 CG GLU A 29 64.656 -6.067 5.006 1.00 0.00 C ATOM 500 CD GLU A 29 63.888 -7.195 5.649 1.00 0.00 C ATOM 501 OE1 GLU A 29 63.017 -6.938 6.500 1.00 0.00 O ATOM 502 OE2 GLU A 29 64.107 -8.365 5.293 1.00 0.00 O ATOM 0 H GLU A 29 65.173 -3.371 3.813 1.00 0.00 H new ATOM 0 HA GLU A 29 66.694 -3.740 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 29 66.247 -6.134 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 29 64.955 -5.043 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 29 63.951 -5.344 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 29 65.231 -6.460 4.168 1.00 0.00 H new ATOM 509 N CYS A 30 68.251 -5.633 5.142 1.00 0.00 N ATOM 510 CA CYS A 30 69.199 -6.258 4.362 1.00 0.00 C ATOM 511 C CYS A 30 68.558 -7.044 3.273 1.00 0.00 C ATOM 512 O CYS A 30 67.593 -7.784 3.463 1.00 0.00 O ATOM 513 CB CYS A 30 69.972 -7.230 5.141 1.00 0.00 C ATOM 514 SG CYS A 30 70.864 -6.595 6.517 1.00 0.00 S ATOM 0 H CYS A 30 68.181 -5.982 6.098 1.00 0.00 H new ATOM 0 HA CYS A 30 69.835 -5.465 3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 30 69.289 -7.999 5.502 1.00 0.00 H new ATOM 0 HB3 CYS A 30 70.679 -7.720 4.472 1.00 0.00 H new ATOM 519 N VAL A 31 69.127 -6.892 2.191 1.00 0.00 N ATOM 520 CA VAL A 31 68.865 -7.648 1.031 1.00 0.00 C ATOM 521 C VAL A 31 69.489 -9.059 1.249 1.00 0.00 C ATOM 522 O VAL A 31 68.906 -10.080 0.941 1.00 0.00 O ATOM 523 CB VAL A 31 69.512 -6.862 -0.169 1.00 0.00 C ATOM 524 CG1 VAL A 31 70.834 -6.341 0.199 1.00 0.00 C ATOM 525 CG2 VAL A 31 69.653 -7.649 -1.420 1.00 0.00 C ATOM 0 H VAL A 31 69.851 -6.187 2.050 1.00 0.00 H new ATOM 0 HA VAL A 31 67.805 -7.787 0.818 1.00 0.00 H new ATOM 0 HB VAL A 31 68.811 -6.053 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.261 -5.802 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 31 70.735 -5.665 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 31 71.489 -7.169 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.108 -7.028 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 31 70.285 -8.517 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 68.670 -7.981 -1.754 1.00 0.00 H new ATOM 535 N TYR A 32 70.615 -9.077 1.907 1.00 0.00 N ATOM 536 CA TYR A 32 71.396 -10.286 2.079 1.00 0.00 C ATOM 537 C TYR A 32 71.129 -11.012 3.424 1.00 0.00 C ATOM 538 O TYR A 32 70.923 -12.223 3.423 1.00 0.00 O ATOM 539 CB TYR A 32 72.887 -9.983 1.879 1.00 0.00 C ATOM 540 CG TYR A 32 73.124 -9.188 0.610 1.00 0.00 C ATOM 541 CD1 TYR A 32 72.529 -9.572 -0.587 1.00 0.00 C ATOM 542 CD2 TYR A 32 73.868 -8.008 0.628 1.00 0.00 C ATOM 543 CE1 TYR A 32 72.679 -8.834 -1.712 1.00 0.00 C ATOM 544 CE2 TYR A 32 74.022 -7.232 -0.514 1.00 0.00 C ATOM 545 CZ TYR A 32 73.416 -7.664 -1.697 1.00 0.00 C ATOM 546 OH TYR A 32 73.520 -6.924 -2.856 1.00 0.00 O ATOM 0 H TYR A 32 71.025 -8.252 2.344 1.00 0.00 H new ATOM 0 HA TYR A 32 71.072 -10.987 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 32 73.265 -9.425 2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 32 73.447 -10.917 1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 32 71.937 -10.475 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 32 74.334 -7.691 1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 32 72.218 -9.163 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 32 74.596 -6.317 -0.488 1.00 0.00 H new ATOM 0 HH TYR A 32 74.276 -6.304 -2.782 1.00 0.00 H new ATOM 556 N CYS A 33 71.091 -10.273 4.563 1.00 0.00 N ATOM 557 CA CYS A 33 70.849 -10.904 5.891 1.00 0.00 C ATOM 558 C CYS A 33 69.344 -10.986 6.166 1.00 0.00 C ATOM 559 O CYS A 33 68.896 -11.735 7.042 1.00 0.00 O ATOM 560 CB CYS A 33 71.460 -10.082 7.058 1.00 0.00 C ATOM 561 SG CYS A 33 73.158 -9.444 6.823 1.00 0.00 S ATOM 0 H CYS A 33 71.221 -9.262 4.592 1.00 0.00 H new ATOM 0 HA CYS A 33 71.316 -11.888 5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 33 70.804 -9.234 7.255 1.00 0.00 H new ATOM 0 HB3 CYS A 33 71.453 -10.706 7.952 1.00 0.00 H new ATOM 566 N LYS A 34 68.590 -10.216 5.391 1.00 0.00 N ATOM 567 CA LYS A 34 67.166 -10.000 5.561 1.00 0.00 C ATOM 568 C LYS A 34 66.835 -9.497 6.973 1.00 0.00 C ATOM 569 O LYS A 34 65.848 -9.915 7.602 1.00 0.00 O ATOM 570 CB LYS A 34 66.323 -11.222 5.176 1.00 0.00 C ATOM 571 CG LYS A 34 66.440 -11.658 3.710 1.00 0.00 C ATOM 572 CD LYS A 34 67.755 -12.326 3.427 1.00 0.00 C ATOM 573 CE LYS A 34 67.802 -13.009 2.076 1.00 0.00 C ATOM 574 NZ LYS A 34 69.066 -13.752 1.898 1.00 0.00 N ATOM 0 H LYS A 34 68.974 -9.706 4.595 1.00 0.00 H new ATOM 0 HA LYS A 34 66.890 -9.213 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 34 66.613 -12.059 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 34 65.277 -11.005 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 34 65.626 -12.342 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 34 66.328 -10.788 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 68.551 -11.583 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 34 67.956 -13.062 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 34 66.958 -13.693 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 34 67.700 -12.265 1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 69.317 -13.773 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 69.823 -13.282 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 68.948 -14.725 2.245 1.00 0.00 H new ATOM 588 N GLN A 35 67.661 -8.601 7.469 1.00 0.00 N ATOM 589 CA GLN A 35 67.530 -8.049 8.735 1.00 0.00 C ATOM 590 C GLN A 35 67.471 -6.539 8.607 1.00 0.00 C ATOM 591 O GLN A 35 68.257 -5.947 7.894 1.00 0.00 O ATOM 592 CB GLN A 35 68.732 -8.510 9.521 1.00 0.00 C ATOM 593 CG GLN A 35 69.076 -7.676 10.689 1.00 0.00 C ATOM 594 CD GLN A 35 68.055 -7.725 11.812 1.00 0.00 C ATOM 595 OE1 GLN A 35 67.383 -8.836 11.956 1.00 0.00 O flip ATOM 596 NE2 GLN A 35 67.889 -6.758 12.549 1.00 0.00 N flip ATOM 0 H GLN A 35 68.465 -8.244 6.953 1.00 0.00 H new ATOM 0 HA GLN A 35 66.618 -8.361 9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 35 68.554 -9.530 9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 35 69.592 -8.544 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.043 -7.996 11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 35 69.190 -6.642 10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 35 68.433 -5.907 12.405 1.00 0.00 H new ATOM 0 HE22 GLN A 35 67.207 -6.805 13.306 1.00 0.00 H new ATOM 605 N GLN A 36 66.537 -5.943 9.278 1.00 0.00 N ATOM 606 CA GLN A 36 66.326 -4.546 9.245 1.00 0.00 C ATOM 607 C GLN A 36 67.504 -3.785 9.757 1.00 0.00 C ATOM 608 O GLN A 36 68.021 -4.062 10.847 1.00 0.00 O ATOM 609 CB GLN A 36 65.083 -4.228 10.008 1.00 0.00 C ATOM 610 CG GLN A 36 63.831 -4.493 9.221 1.00 0.00 C ATOM 611 CD GLN A 36 62.553 -4.403 10.041 1.00 0.00 C ATOM 612 OE1 GLN A 36 61.580 -5.077 9.756 1.00 0.00 O ATOM 613 NE2 GLN A 36 62.539 -3.570 11.047 1.00 0.00 N ATOM 0 H GLN A 36 65.882 -6.440 9.882 1.00 0.00 H new ATOM 0 HA GLN A 36 66.201 -4.232 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 36 65.063 -4.820 10.923 1.00 0.00 H new ATOM 0 HB3 GLN A 36 65.104 -3.180 10.306 1.00 0.00 H new ATOM 0 HG2 GLN A 36 63.774 -3.780 8.399 1.00 0.00 H new ATOM 0 HG3 GLN A 36 63.897 -5.487 8.778 1.00 0.00 H new ATOM 0 HE21 GLN A 36 63.369 -3.018 11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 36 61.698 -3.472 11.616 1.00 0.00 H new ATOM 622 N LEU A 37 67.935 -2.857 8.961 1.00 0.00 N ATOM 623 CA LEU A 37 69.060 -2.041 9.278 1.00 0.00 C ATOM 624 C LEU A 37 68.833 -1.161 10.456 1.00 0.00 C ATOM 625 O LEU A 37 67.721 -0.677 10.699 1.00 0.00 O ATOM 626 CB LEU A 37 69.508 -1.193 8.101 1.00 0.00 C ATOM 627 CG LEU A 37 70.547 -1.789 7.162 1.00 0.00 C ATOM 628 CD1 LEU A 37 69.978 -2.911 6.326 1.00 0.00 C ATOM 629 CD2 LEU A 37 71.176 -0.704 6.311 1.00 0.00 C ATOM 0 H LEU A 37 67.507 -2.644 8.060 1.00 0.00 H new ATOM 0 HA LEU A 37 69.851 -2.747 9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 37 68.626 -0.943 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 37 69.906 -0.257 8.493 1.00 0.00 H new ATOM 0 HG LEU A 37 71.334 -2.234 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.754 -3.306 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 37 69.616 -3.704 6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.152 -2.533 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 37 71.917 -1.147 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 37 70.404 -0.213 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 37 71.660 0.029 6.956 1.00 0.00 H new ATOM 641 N LEU A 38 69.891 -0.977 11.196 1.00 0.00 N ATOM 642 CA LEU A 38 69.952 -0.075 12.266 1.00 0.00 C ATOM 643 C LEU A 38 69.899 1.279 11.625 1.00 0.00 C ATOM 644 O LEU A 38 70.592 1.477 10.643 1.00 0.00 O ATOM 645 CB LEU A 38 71.288 -0.261 12.926 1.00 0.00 C ATOM 646 CG LEU A 38 71.329 -0.211 14.430 1.00 0.00 C ATOM 647 CD1 LEU A 38 72.715 -0.575 14.893 1.00 0.00 C ATOM 648 CD2 LEU A 38 70.922 1.147 14.969 1.00 0.00 C ATOM 0 H LEU A 38 70.763 -1.484 11.047 1.00 0.00 H new ATOM 0 HA LEU A 38 69.159 -0.208 13.002 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.689 -1.224 12.610 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.962 0.506 12.545 1.00 0.00 H new ATOM 0 HG LEU A 38 70.606 -0.929 14.819 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.755 -0.542 15.982 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.960 -1.581 14.551 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.434 0.134 14.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 70.967 1.135 16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 38 71.601 1.909 14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 38 69.905 1.375 14.650 1.00 0.00 H new ATOM 660 N ARG A 39 69.069 2.180 12.124 1.00 0.00 N ATOM 661 CA ARG A 39 68.887 3.511 11.506 1.00 0.00 C ATOM 662 C ARG A 39 70.232 4.203 11.231 1.00 0.00 C ATOM 663 O ARG A 39 70.377 4.919 10.250 1.00 0.00 O ATOM 664 CB ARG A 39 68.021 4.384 12.391 1.00 0.00 C ATOM 665 CG ARG A 39 67.661 5.724 11.782 1.00 0.00 C ATOM 666 CD ARG A 39 66.760 6.503 12.707 1.00 0.00 C ATOM 667 NE ARG A 39 65.522 5.774 12.967 1.00 0.00 N ATOM 668 CZ ARG A 39 64.636 6.063 13.912 1.00 0.00 C ATOM 669 NH1 ARG A 39 64.831 7.090 14.729 1.00 0.00 N ATOM 670 NH2 ARG A 39 63.550 5.310 14.040 1.00 0.00 N ATOM 0 H ARG A 39 68.502 2.026 12.958 1.00 0.00 H new ATOM 0 HA ARG A 39 68.390 3.364 10.547 1.00 0.00 H new ATOM 0 HB2 ARG A 39 67.103 3.846 12.626 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.540 4.554 13.334 1.00 0.00 H new ATOM 0 HG2 ARG A 39 68.568 6.295 11.583 1.00 0.00 H new ATOM 0 HG3 ARG A 39 67.164 5.572 10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 39 67.277 6.696 13.647 1.00 0.00 H new ATOM 0 HD3 ARG A 39 66.530 7.472 12.265 1.00 0.00 H new ATOM 0 HE ARG A 39 65.320 4.972 12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 39 65.668 7.666 14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 39 64.144 7.304 15.452 1.00 0.00 H new ATOM 0 HH21 ARG A 39 63.402 4.517 13.415 1.00 0.00 H new ATOM 0 HH22 ARG A 39 62.863 5.524 14.763 1.00 0.00 H new ATOM 684 N ARG A 40 71.209 3.926 12.079 1.00 0.00 N ATOM 685 CA ARG A 40 72.549 4.416 11.929 1.00 0.00 C ATOM 686 C ARG A 40 73.148 3.943 10.595 1.00 0.00 C ATOM 687 O ARG A 40 73.644 4.750 9.814 1.00 0.00 O ATOM 688 CB ARG A 40 73.383 3.885 13.077 1.00 0.00 C ATOM 689 CG ARG A 40 72.896 4.283 14.457 1.00 0.00 C ATOM 690 CD ARG A 40 72.890 5.780 14.639 1.00 0.00 C ATOM 691 NE ARG A 40 74.208 6.380 14.402 1.00 0.00 N ATOM 692 CZ ARG A 40 74.494 7.659 14.620 1.00 0.00 C ATOM 693 NH1 ARG A 40 73.600 8.444 15.196 1.00 0.00 N ATOM 694 NH2 ARG A 40 75.683 8.138 14.300 1.00 0.00 N ATOM 0 H ARG A 40 71.079 3.341 12.905 1.00 0.00 H new ATOM 0 HA ARG A 40 72.542 5.506 11.935 1.00 0.00 H new ATOM 0 HB2 ARG A 40 73.408 2.797 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 40 74.408 4.235 12.954 1.00 0.00 H new ATOM 0 HG2 ARG A 40 71.890 3.894 14.614 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.535 3.828 15.213 1.00 0.00 H new ATOM 0 HD2 ARG A 40 72.165 6.223 13.956 1.00 0.00 H new ATOM 0 HD3 ARG A 40 72.562 6.018 15.651 1.00 0.00 H new ATOM 0 HE ARG A 40 74.951 5.778 14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 40 72.693 8.067 15.472 1.00 0.00 H new ATOM 0 HH12 ARG A 40 73.817 9.426 15.365 1.00 0.00 H new ATOM 0 HH21 ARG A 40 76.385 7.525 13.884 1.00 0.00 H new ATOM 0 HH22 ARG A 40 75.899 9.120 14.469 1.00 0.00 H new ATOM 708 N GLU A 41 73.031 2.634 10.334 1.00 0.00 N ATOM 709 CA GLU A 41 73.550 2.009 9.113 1.00 0.00 C ATOM 710 C GLU A 41 72.759 2.526 7.911 1.00 0.00 C ATOM 711 O GLU A 41 73.287 2.669 6.810 1.00 0.00 O ATOM 712 CB GLU A 41 73.409 0.462 9.168 1.00 0.00 C ATOM 713 CG GLU A 41 73.927 -0.252 10.423 1.00 0.00 C ATOM 714 CD GLU A 41 75.191 0.296 11.014 1.00 0.00 C ATOM 715 OE1 GLU A 41 76.276 -0.116 10.624 1.00 0.00 O ATOM 716 OE2 GLU A 41 75.106 1.101 11.946 1.00 0.00 O ATOM 0 H GLU A 41 72.572 1.978 10.966 1.00 0.00 H new ATOM 0 HA GLU A 41 74.606 2.263 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.353 0.216 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.929 0.046 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.148 -0.217 11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.088 -1.302 10.179 1.00 0.00 H new ATOM 723 N VAL A 42 71.477 2.799 8.140 1.00 0.00 N ATOM 724 CA VAL A 42 70.617 3.322 7.087 1.00 0.00 C ATOM 725 C VAL A 42 71.113 4.723 6.675 1.00 0.00 C ATOM 726 O VAL A 42 71.153 5.043 5.497 1.00 0.00 O ATOM 727 CB VAL A 42 69.108 3.389 7.497 1.00 0.00 C ATOM 728 CG1 VAL A 42 68.236 3.536 6.269 1.00 0.00 C ATOM 729 CG2 VAL A 42 68.684 2.149 8.244 1.00 0.00 C ATOM 0 H VAL A 42 71.015 2.667 9.040 1.00 0.00 H new ATOM 0 HA VAL A 42 70.678 2.629 6.248 1.00 0.00 H new ATOM 0 HB VAL A 42 68.988 4.254 8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.189 3.581 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 42 68.502 4.452 5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.388 2.681 5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.631 2.229 8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.831 1.274 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 42 69.283 2.046 9.149 1.00 0.00 H new ATOM 739 N TYR A 43 71.516 5.557 7.656 1.00 0.00 N ATOM 740 CA TYR A 43 72.108 6.863 7.337 1.00 0.00 C ATOM 741 C TYR A 43 73.364 6.730 6.539 1.00 0.00 C ATOM 742 O TYR A 43 73.569 7.491 5.596 1.00 0.00 O ATOM 743 CB TYR A 43 72.400 7.707 8.573 1.00 0.00 C ATOM 744 CG TYR A 43 71.171 8.194 9.228 1.00 0.00 C ATOM 745 CD1 TYR A 43 70.245 8.898 8.501 1.00 0.00 C ATOM 746 CD2 TYR A 43 70.900 7.915 10.549 1.00 0.00 C ATOM 747 CE1 TYR A 43 69.089 9.320 9.061 1.00 0.00 C ATOM 748 CE2 TYR A 43 69.731 8.330 11.121 1.00 0.00 C ATOM 749 CZ TYR A 43 68.825 9.037 10.369 1.00 0.00 C ATOM 750 OH TYR A 43 67.636 9.444 10.915 1.00 0.00 O ATOM 0 H TYR A 43 71.443 5.352 8.653 1.00 0.00 H new ATOM 0 HA TYR A 43 71.351 7.374 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.977 7.116 9.284 1.00 0.00 H new ATOM 0 HB3 TYR A 43 73.019 8.558 8.290 1.00 0.00 H new ATOM 0 HD1 TYR A 43 70.443 9.119 7.463 1.00 0.00 H new ATOM 0 HD2 TYR A 43 71.618 7.363 11.138 1.00 0.00 H new ATOM 0 HE1 TYR A 43 68.376 9.880 8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 43 69.521 8.104 12.156 1.00 0.00 H new ATOM 0 HH TYR A 43 67.106 9.909 10.235 1.00 0.00 H new ATOM 760 N ASP A 44 74.193 5.748 6.889 1.00 0.00 N ATOM 761 CA ASP A 44 75.459 5.496 6.228 1.00 0.00 C ATOM 762 C ASP A 44 75.283 5.378 4.768 1.00 0.00 C ATOM 763 O ASP A 44 76.060 5.894 4.002 1.00 0.00 O ATOM 764 CB ASP A 44 76.083 4.213 6.722 1.00 0.00 C ATOM 765 CG ASP A 44 76.577 4.304 8.154 1.00 0.00 C ATOM 766 OD1 ASP A 44 77.337 5.261 8.486 1.00 0.00 O ATOM 767 OD2 ASP A 44 76.288 3.419 8.951 1.00 0.00 O ATOM 0 H ASP A 44 73.995 5.100 7.651 1.00 0.00 H new ATOM 0 HA ASP A 44 76.107 6.342 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 44 75.352 3.408 6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 44 76.917 3.948 6.072 1.00 0.00 H new ATOM 772 N PHE A 45 74.234 4.745 4.402 1.00 0.00 N ATOM 773 CA PHE A 45 73.909 4.478 3.045 1.00 0.00 C ATOM 774 C PHE A 45 73.842 5.789 2.212 1.00 0.00 C ATOM 775 O PHE A 45 74.417 5.875 1.113 1.00 0.00 O ATOM 776 CB PHE A 45 72.590 3.788 3.038 1.00 0.00 C ATOM 777 CG PHE A 45 72.447 2.812 1.981 1.00 0.00 C ATOM 778 CD1 PHE A 45 72.901 1.517 2.165 1.00 0.00 C ATOM 779 CD2 PHE A 45 71.832 3.155 0.810 1.00 0.00 C ATOM 780 CE1 PHE A 45 72.719 0.593 1.163 1.00 0.00 C ATOM 781 CE2 PHE A 45 71.666 2.247 -0.177 1.00 0.00 C ATOM 782 CZ PHE A 45 72.100 0.965 -0.008 1.00 0.00 C ATOM 0 H PHE A 45 73.547 4.382 5.063 1.00 0.00 H new ATOM 0 HA PHE A 45 74.678 3.854 2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 45 72.444 3.294 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 45 71.801 4.534 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 45 73.392 1.236 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 45 71.474 4.165 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 45 73.061 -0.423 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 45 71.189 2.537 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 45 71.957 0.240 -0.796 1.00 0.00 H new ATOM 792 N ALA A 46 73.161 6.805 2.751 1.00 0.00 N ATOM 793 CA ALA A 46 73.054 8.107 2.079 1.00 0.00 C ATOM 794 C ALA A 46 74.251 9.004 2.401 1.00 0.00 C ATOM 795 O ALA A 46 74.629 9.853 1.606 1.00 0.00 O ATOM 796 CB ALA A 46 71.747 8.815 2.419 1.00 0.00 C ATOM 0 H ALA A 46 72.677 6.753 3.647 1.00 0.00 H new ATOM 0 HA ALA A 46 73.056 7.909 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 46 71.707 9.774 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 46 70.906 8.198 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 71.692 8.980 3.495 1.00 0.00 H new ATOM 802 N ARG A 47 74.840 8.806 3.570 1.00 0.00 N ATOM 803 CA ARG A 47 75.999 9.595 4.015 1.00 0.00 C ATOM 804 C ARG A 47 77.261 9.197 3.244 1.00 0.00 C ATOM 805 O ARG A 47 78.245 9.941 3.170 1.00 0.00 O ATOM 806 CB ARG A 47 76.179 9.472 5.547 1.00 0.00 C ATOM 807 CG ARG A 47 75.387 10.499 6.387 1.00 0.00 C ATOM 808 CD ARG A 47 73.898 10.520 6.051 1.00 0.00 C ATOM 809 NE ARG A 47 73.118 11.385 6.945 1.00 0.00 N ATOM 810 CZ ARG A 47 71.912 11.911 6.657 1.00 0.00 C ATOM 811 NH1 ARG A 47 71.428 11.853 5.416 1.00 0.00 N ATOM 812 NH2 ARG A 47 71.221 12.544 7.603 1.00 0.00 N ATOM 0 H ARG A 47 74.537 8.100 4.241 1.00 0.00 H new ATOM 0 HA ARG A 47 75.816 10.647 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.880 8.469 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 47 77.239 9.574 5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 47 75.512 10.269 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.805 11.493 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 47 73.768 10.859 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.505 9.505 6.104 1.00 0.00 H new ATOM 0 HE ARG A 47 73.521 11.605 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.972 11.408 4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 47 70.514 12.254 5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.605 12.630 8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 47 70.308 12.943 7.387 1.00 0.00 H new ATOM 826 N ARG A 48 77.218 8.027 2.679 1.00 0.00 N ATOM 827 CA ARG A 48 78.244 7.529 1.815 1.00 0.00 C ATOM 828 C ARG A 48 77.642 7.477 0.415 1.00 0.00 C ATOM 829 O ARG A 48 76.678 8.196 0.146 1.00 0.00 O ATOM 830 CB ARG A 48 78.616 6.157 2.269 1.00 0.00 C ATOM 831 CG ARG A 48 79.086 6.071 3.701 1.00 0.00 C ATOM 832 CD ARG A 48 79.170 4.627 4.125 1.00 0.00 C ATOM 833 NE ARG A 48 79.565 4.474 5.526 1.00 0.00 N ATOM 834 CZ ARG A 48 79.702 3.307 6.184 1.00 0.00 C ATOM 835 NH1 ARG A 48 79.645 2.154 5.536 1.00 0.00 N ATOM 836 NH2 ARG A 48 79.942 3.309 7.484 1.00 0.00 N ATOM 0 H ARG A 48 76.445 7.375 2.811 1.00 0.00 H new ATOM 0 HA ARG A 48 79.136 8.155 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 48 77.754 5.502 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 48 79.403 5.775 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 48 80.062 6.547 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 48 78.399 6.611 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 48 78.202 4.150 3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 48 79.887 4.107 3.490 1.00 0.00 H new ATOM 0 HE ARG A 48 79.753 5.328 6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 48 79.496 2.143 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 48 79.750 1.277 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 48 80.023 4.193 7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 48 80.046 2.426 7.985 1.00 0.00 H new ATOM 850 N ASP A 49 78.156 6.650 -0.466 1.00 0.00 N ATOM 851 CA ASP A 49 77.581 6.575 -1.804 1.00 0.00 C ATOM 852 C ASP A 49 77.260 5.147 -2.167 1.00 0.00 C ATOM 853 O ASP A 49 78.017 4.478 -2.862 1.00 0.00 O ATOM 854 CB ASP A 49 78.469 7.244 -2.874 1.00 0.00 C ATOM 855 CG ASP A 49 77.835 7.257 -4.267 1.00 0.00 C ATOM 856 OD1 ASP A 49 77.011 8.154 -4.555 1.00 0.00 O ATOM 857 OD2 ASP A 49 78.168 6.390 -5.108 1.00 0.00 O ATOM 0 H ASP A 49 78.949 6.032 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 49 76.651 7.143 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 49 78.682 8.269 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 49 79.424 6.721 -2.922 1.00 0.00 H new ATOM 862 N LEU A 50 76.222 4.634 -1.560 1.00 0.00 N ATOM 863 CA LEU A 50 75.730 3.328 -1.861 1.00 0.00 C ATOM 864 C LEU A 50 74.420 3.417 -2.601 1.00 0.00 C ATOM 865 O LEU A 50 73.688 4.413 -2.485 1.00 0.00 O ATOM 866 CB LEU A 50 75.540 2.495 -0.592 1.00 0.00 C ATOM 867 CG LEU A 50 76.796 2.196 0.218 1.00 0.00 C ATOM 868 CD1 LEU A 50 77.278 3.391 0.978 1.00 0.00 C ATOM 869 CD2 LEU A 50 76.600 1.032 1.125 1.00 0.00 C ATOM 0 H LEU A 50 75.694 5.121 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 50 76.473 2.837 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 50 74.832 3.014 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 50 75.080 1.547 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 50 77.573 1.935 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 50 78.175 3.128 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 50 77.509 4.196 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 50 76.502 3.721 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 50 77.517 0.849 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 50 75.786 1.244 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 50 76.353 0.149 0.536 1.00 0.00 H new ATOM 881 N CYS A 51 74.134 2.415 -3.359 1.00 0.00 N ATOM 882 CA CYS A 51 72.905 2.322 -4.087 1.00 0.00 C ATOM 883 C CYS A 51 72.106 1.141 -3.559 1.00 0.00 C ATOM 884 O CYS A 51 72.684 0.182 -3.017 1.00 0.00 O ATOM 885 CB CYS A 51 73.201 2.192 -5.576 1.00 0.00 C ATOM 886 SG CYS A 51 74.381 0.884 -5.973 1.00 0.00 S ATOM 0 H CYS A 51 74.757 1.619 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 51 72.308 3.224 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 51 72.268 2.001 -6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 51 73.588 3.142 -5.944 1.00 0.00 H new ATOM 0 HG CYS A 51 74.105 0.391 -7.144 1.00 0.00 H new ATOM 892 N ILE A 52 70.814 1.199 -3.704 1.00 0.00 N ATOM 893 CA ILE A 52 69.945 0.204 -3.147 1.00 0.00 C ATOM 894 C ILE A 52 69.856 -1.030 -3.961 1.00 0.00 C ATOM 895 O ILE A 52 69.892 -1.025 -5.204 1.00 0.00 O ATOM 896 CB ILE A 52 68.564 0.782 -2.785 1.00 0.00 C ATOM 897 CG1 ILE A 52 68.771 1.614 -1.581 1.00 0.00 C ATOM 898 CG2 ILE A 52 67.478 -0.282 -2.523 1.00 0.00 C ATOM 899 CD1 ILE A 52 67.554 2.068 -0.988 1.00 0.00 C ATOM 0 H ILE A 52 70.332 1.940 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 52 70.411 -0.110 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 52 68.187 1.351 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 52 69.333 1.040 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.381 2.477 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 52 66.538 0.211 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 52 67.343 -0.892 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 52 67.784 -0.918 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 52 67.781 2.672 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 52 67.000 2.669 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 52 66.951 1.210 -0.692 1.00 0.00 H new ATOM 911 N VAL A 53 69.732 -2.063 -3.230 1.00 0.00 N ATOM 912 CA VAL A 53 69.741 -3.373 -3.661 1.00 0.00 C ATOM 913 C VAL A 53 68.402 -4.020 -3.359 1.00 0.00 C ATOM 914 O VAL A 53 67.964 -4.149 -2.212 1.00 0.00 O ATOM 915 CB VAL A 53 70.883 -4.102 -2.951 1.00 0.00 C ATOM 916 CG1 VAL A 53 72.201 -3.729 -3.591 1.00 0.00 C ATOM 917 CG2 VAL A 53 70.922 -3.660 -1.502 1.00 0.00 C ATOM 0 H VAL A 53 69.611 -1.991 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 53 69.898 -3.425 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 53 70.723 -5.178 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 53 73.013 -4.250 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 72.189 -4.015 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 53 72.353 -2.653 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 53 71.733 -4.174 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 53 71.086 -2.584 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 53 69.975 -3.904 -1.022 1.00 0.00 H new ATOM 927 N TYR A 54 67.732 -4.341 -4.378 1.00 0.00 N ATOM 928 CA TYR A 54 66.498 -4.995 -4.292 1.00 0.00 C ATOM 929 C TYR A 54 66.705 -6.443 -4.393 1.00 0.00 C ATOM 930 O TYR A 54 67.125 -6.972 -5.429 1.00 0.00 O ATOM 931 CB TYR A 54 65.575 -4.487 -5.376 1.00 0.00 C ATOM 932 CG TYR A 54 65.276 -3.037 -5.185 1.00 0.00 C ATOM 933 CD1 TYR A 54 66.163 -2.047 -5.574 1.00 0.00 C ATOM 934 CD2 TYR A 54 64.135 -2.659 -4.562 1.00 0.00 C ATOM 935 CE1 TYR A 54 65.885 -0.730 -5.323 1.00 0.00 C ATOM 936 CE2 TYR A 54 63.857 -1.360 -4.326 1.00 0.00 C ATOM 937 CZ TYR A 54 64.718 -0.398 -4.698 1.00 0.00 C ATOM 938 OH TYR A 54 64.431 0.915 -4.402 1.00 0.00 O ATOM 0 H TYR A 54 68.035 -4.151 -5.333 1.00 0.00 H new ATOM 0 HA TYR A 54 66.030 -4.786 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 54 66.034 -4.642 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 54 64.647 -5.058 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 54 67.079 -2.315 -6.078 1.00 0.00 H new ATOM 0 HD2 TYR A 54 63.431 -3.415 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 54 66.583 0.040 -5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 54 62.934 -1.091 -3.834 1.00 0.00 H new ATOM 0 HH TYR A 54 65.246 1.453 -4.479 1.00 0.00 H new ATOM 948 N ARG A 55 66.439 -7.088 -3.312 1.00 0.00 N ATOM 949 CA ARG A 55 66.597 -8.524 -3.272 1.00 0.00 C ATOM 950 C ARG A 55 65.303 -9.029 -3.835 1.00 0.00 C ATOM 951 O ARG A 55 64.231 -8.692 -3.266 1.00 0.00 O ATOM 952 CB ARG A 55 66.756 -9.060 -1.839 1.00 0.00 C ATOM 953 CG ARG A 55 67.730 -10.267 -1.678 1.00 0.00 C ATOM 954 CD ARG A 55 67.175 -11.524 -2.300 1.00 0.00 C ATOM 955 NE ARG A 55 65.889 -11.883 -1.705 1.00 0.00 N ATOM 956 CZ ARG A 55 65.021 -12.754 -2.212 1.00 0.00 C ATOM 957 NH1 ARG A 55 65.243 -13.333 -3.394 1.00 0.00 N ATOM 958 NH2 ARG A 55 63.910 -13.005 -1.550 1.00 0.00 N ATOM 0 H ARG A 55 66.113 -6.662 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 55 67.488 -8.840 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 55 67.104 -8.247 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 55 65.774 -9.356 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 55 68.687 -10.025 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.922 -10.440 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 55 67.055 -11.379 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 55 67.882 -12.343 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 55 65.636 -11.428 -0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 55 66.087 -13.109 -3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 55 64.568 -13.999 -3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 55 63.727 -12.534 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 55 63.233 -13.670 -1.924 1.00 0.00 H new ATOM 972 N ASP A 56 65.360 -9.727 -4.963 1.00 0.00 N ATOM 973 CA ASP A 56 64.170 -10.214 -5.696 1.00 0.00 C ATOM 974 C ASP A 56 63.429 -9.055 -6.355 1.00 0.00 C ATOM 975 O ASP A 56 63.339 -8.980 -7.582 1.00 0.00 O ATOM 976 CB ASP A 56 63.227 -11.036 -4.804 1.00 0.00 C ATOM 977 CG ASP A 56 62.019 -11.543 -5.543 1.00 0.00 C ATOM 978 OD1 ASP A 56 62.167 -12.433 -6.400 1.00 0.00 O ATOM 979 OD2 ASP A 56 60.901 -11.077 -5.257 1.00 0.00 O ATOM 0 H ASP A 56 66.241 -9.981 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 56 64.528 -10.885 -6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 56 63.774 -11.882 -4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 56 62.902 -10.422 -3.964 1.00 0.00 H new ATOM 984 N GLY A 57 62.935 -8.162 -5.544 1.00 0.00 N ATOM 985 CA GLY A 57 62.282 -6.985 -6.013 1.00 0.00 C ATOM 986 C GLY A 57 61.708 -6.193 -4.878 1.00 0.00 C ATOM 987 O GLY A 57 60.618 -5.648 -4.979 1.00 0.00 O ATOM 0 H GLY A 57 62.978 -8.237 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 57 62.991 -6.370 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 57 61.487 -7.259 -6.707 1.00 0.00 H new ATOM 991 N ASN A 58 62.430 -6.141 -3.778 1.00 0.00 N ATOM 992 CA ASN A 58 61.977 -5.422 -2.590 1.00 0.00 C ATOM 993 C ASN A 58 63.138 -4.602 -2.131 1.00 0.00 C ATOM 994 O ASN A 58 64.281 -5.006 -2.355 1.00 0.00 O ATOM 995 CB ASN A 58 61.623 -6.392 -1.476 1.00 0.00 C ATOM 996 CG ASN A 58 60.834 -7.613 -1.892 1.00 0.00 C ATOM 997 OD1 ASN A 58 59.600 -7.636 -1.863 1.00 0.00 O ATOM 998 ND2 ASN A 58 61.555 -8.638 -2.293 1.00 0.00 N ATOM 0 H ASN A 58 63.340 -6.589 -3.675 1.00 0.00 H new ATOM 0 HA ASN A 58 61.097 -4.823 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.547 -6.724 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 58 61.052 -5.854 -0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 58 61.096 -9.497 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 58 62.573 -8.574 -2.300 1.00 0.00 H new ATOM 1005 N PRO A 59 62.903 -3.444 -1.517 1.00 0.00 N ATOM 1006 CA PRO A 59 63.975 -2.528 -1.164 1.00 0.00 C ATOM 1007 C PRO A 59 64.755 -2.815 0.151 1.00 0.00 C ATOM 1008 O PRO A 59 64.254 -2.820 1.395 1.00 0.00 O ATOM 1009 CB PRO A 59 63.291 -1.152 -1.170 1.00 0.00 C ATOM 1010 CG PRO A 59 61.844 -1.427 -1.570 1.00 0.00 C ATOM 1011 CD PRO A 59 61.597 -2.842 -1.199 1.00 0.00 C ATOM 0 HA PRO A 59 64.791 -2.625 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 59 63.346 -0.681 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 59 63.773 -0.476 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 59 61.158 -0.759 -1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 59 61.694 -1.269 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 59 61.336 -2.954 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 59 60.786 -3.285 -1.777 1.00 0.00 H new ATOM 1019 N TYR A 60 65.987 -3.004 -0.059 1.00 0.00 N ATOM 1020 CA TYR A 60 66.771 -3.266 0.988 1.00 0.00 C ATOM 1021 C TYR A 60 68.023 -2.511 0.844 1.00 0.00 C ATOM 1022 O TYR A 60 68.437 -2.112 -0.251 1.00 0.00 O ATOM 1023 CB TYR A 60 67.020 -4.749 1.176 1.00 0.00 C ATOM 1024 CG TYR A 60 65.859 -5.655 1.032 1.00 0.00 C ATOM 1025 CD1 TYR A 60 64.964 -5.803 2.027 1.00 0.00 C ATOM 1026 CD2 TYR A 60 65.701 -6.383 -0.089 1.00 0.00 C ATOM 1027 CE1 TYR A 60 63.912 -6.690 1.919 1.00 0.00 C ATOM 1028 CE2 TYR A 60 64.658 -7.256 -0.227 1.00 0.00 C ATOM 1029 CZ TYR A 60 63.771 -7.411 0.789 1.00 0.00 C ATOM 1030 OH TYR A 60 62.733 -8.313 0.669 1.00 0.00 O ATOM 0 H TYR A 60 66.448 -2.975 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 60 66.258 -2.945 1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 60 67.780 -5.057 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 60 67.442 -4.897 2.170 1.00 0.00 H new ATOM 0 HD1 TYR A 60 65.071 -5.216 2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 60 66.412 -6.275 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 60 63.209 -6.805 2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 60 64.540 -7.820 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 60 61.968 -8.004 1.198 1.00 0.00 H new ATOM 1040 N ALA A 61 68.555 -2.280 1.914 1.00 0.00 N ATOM 1041 CA ALA A 61 69.721 -1.606 2.090 1.00 0.00 C ATOM 1042 C ALA A 61 70.817 -2.623 2.283 1.00 0.00 C ATOM 1043 O ALA A 61 70.576 -3.839 2.235 1.00 0.00 O ATOM 1044 CB ALA A 61 69.545 -0.828 3.330 1.00 0.00 C ATOM 0 H ALA A 61 68.146 -2.589 2.796 1.00 0.00 H new ATOM 0 HA ALA A 61 69.973 -0.961 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.451 -0.258 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.704 -0.144 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.349 -1.506 4.160 1.00 0.00 H new ATOM 1050 N VAL A 62 71.970 -2.155 2.527 1.00 0.00 N ATOM 1051 CA VAL A 62 73.094 -2.980 2.767 1.00 0.00 C ATOM 1052 C VAL A 62 73.615 -2.593 4.125 1.00 0.00 C ATOM 1053 O VAL A 62 74.068 -1.460 4.316 1.00 0.00 O ATOM 1054 CB VAL A 62 74.167 -2.753 1.644 1.00 0.00 C ATOM 1055 CG1 VAL A 62 75.480 -3.358 1.954 1.00 0.00 C ATOM 1056 CG2 VAL A 62 73.666 -3.227 0.303 1.00 0.00 C ATOM 0 H VAL A 62 72.174 -1.156 2.569 1.00 0.00 H new ATOM 0 HA VAL A 62 72.841 -4.040 2.748 1.00 0.00 H new ATOM 0 HB VAL A 62 74.326 -1.676 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 62 76.173 -3.163 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 62 75.873 -2.924 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 62 75.364 -4.434 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 62 74.432 -3.056 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 62 73.439 -4.292 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 62 72.764 -2.676 0.036 1.00 0.00 H new ATOM 1066 N CYS A 63 73.456 -3.489 5.095 1.00 0.00 N ATOM 1067 CA CYS A 63 73.943 -3.209 6.428 1.00 0.00 C ATOM 1068 C CYS A 63 75.471 -3.251 6.506 1.00 0.00 C ATOM 1069 O CYS A 63 76.167 -3.535 5.528 1.00 0.00 O ATOM 1070 CB CYS A 63 73.378 -4.212 7.420 1.00 0.00 C ATOM 1071 SG CYS A 63 74.209 -5.836 7.421 1.00 0.00 S ATOM 0 H CYS A 63 73.002 -4.395 4.981 1.00 0.00 H new ATOM 0 HA CYS A 63 73.611 -2.201 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 63 73.441 -3.787 8.422 1.00 0.00 H new ATOM 0 HB3 CYS A 63 72.320 -4.361 7.203 1.00 0.00 H new ATOM 1076 N ASP A 64 75.951 -3.052 7.711 1.00 0.00 N ATOM 1077 CA ASP A 64 77.368 -3.099 8.058 1.00 0.00 C ATOM 1078 C ASP A 64 77.929 -4.483 7.764 1.00 0.00 C ATOM 1079 O ASP A 64 79.073 -4.644 7.329 1.00 0.00 O ATOM 1080 CB ASP A 64 77.509 -2.829 9.551 1.00 0.00 C ATOM 1081 CG ASP A 64 78.955 -2.818 10.026 1.00 0.00 C ATOM 1082 OD1 ASP A 64 79.648 -1.772 9.887 1.00 0.00 O ATOM 1083 OD2 ASP A 64 79.422 -3.850 10.554 1.00 0.00 O ATOM 0 H ASP A 64 75.352 -2.845 8.510 1.00 0.00 H new ATOM 0 HA ASP A 64 77.910 -2.355 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 64 77.050 -1.869 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 64 76.958 -3.589 10.104 1.00 0.00 H new ATOM 1088 N LYS A 65 77.106 -5.472 7.977 1.00 0.00 N ATOM 1089 CA LYS A 65 77.480 -6.836 7.781 1.00 0.00 C ATOM 1090 C LYS A 65 77.373 -7.239 6.334 1.00 0.00 C ATOM 1091 O LYS A 65 78.189 -7.979 5.853 1.00 0.00 O ATOM 1092 CB LYS A 65 76.678 -7.732 8.663 1.00 0.00 C ATOM 1093 CG LYS A 65 76.870 -7.419 10.100 1.00 0.00 C ATOM 1094 CD LYS A 65 78.308 -7.522 10.548 1.00 0.00 C ATOM 1095 CE LYS A 65 78.425 -7.078 11.977 1.00 0.00 C ATOM 1096 NZ LYS A 65 78.214 -5.616 12.138 1.00 0.00 N ATOM 0 H LYS A 65 76.145 -5.347 8.296 1.00 0.00 H new ATOM 0 HA LYS A 65 78.528 -6.941 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 65 75.622 -7.638 8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 65 76.959 -8.769 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 65 76.507 -6.410 10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 65 76.261 -8.098 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 65 78.658 -8.549 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 65 78.942 -6.905 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 65 77.695 -7.616 12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 65 79.412 -7.343 12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 78.818 -5.261 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 78.459 -5.130 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 77.217 -5.433 12.369 1.00 0.00 H new ATOM 1110 N CYS A 66 76.393 -6.712 5.627 1.00 0.00 N ATOM 1111 CA CYS A 66 76.298 -6.947 4.195 1.00 0.00 C ATOM 1112 C CYS A 66 77.555 -6.322 3.526 1.00 0.00 C ATOM 1113 O CYS A 66 78.108 -6.845 2.560 1.00 0.00 O ATOM 1114 CB CYS A 66 75.030 -6.301 3.615 1.00 0.00 C ATOM 1115 SG CYS A 66 73.413 -7.094 3.974 1.00 0.00 S ATOM 0 H CYS A 66 75.656 -6.123 6.014 1.00 0.00 H new ATOM 0 HA CYS A 66 76.245 -8.019 4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 66 74.985 -5.273 3.976 1.00 0.00 H new ATOM 0 HB3 CYS A 66 75.145 -6.254 2.532 1.00 0.00 H new ATOM 1120 N LEU A 67 77.993 -5.215 4.094 1.00 0.00 N ATOM 1121 CA LEU A 67 79.199 -4.535 3.685 1.00 0.00 C ATOM 1122 C LEU A 67 80.470 -5.360 3.859 1.00 0.00 C ATOM 1123 O LEU A 67 81.429 -5.195 3.089 1.00 0.00 O ATOM 1124 CB LEU A 67 79.312 -3.220 4.393 1.00 0.00 C ATOM 1125 CG LEU A 67 78.433 -2.133 3.812 1.00 0.00 C ATOM 1126 CD1 LEU A 67 78.557 -0.919 4.622 1.00 0.00 C ATOM 1127 CD2 LEU A 67 78.810 -1.833 2.363 1.00 0.00 C ATOM 0 H LEU A 67 77.509 -4.758 4.867 1.00 0.00 H new ATOM 0 HA LEU A 67 79.108 -4.370 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 67 79.054 -3.360 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 67 80.350 -2.890 4.362 1.00 0.00 H new ATOM 0 HG LEU A 67 77.400 -2.481 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 67 77.924 -0.136 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 67 78.245 -1.130 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 79.595 -0.586 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 67 78.161 -1.048 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 79.847 -1.502 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 67 78.691 -2.734 1.762 1.00 0.00 H new ATOM 1139 N LYS A 68 80.500 -6.244 4.858 1.00 0.00 N ATOM 1140 CA LYS A 68 81.678 -7.090 5.054 1.00 0.00 C ATOM 1141 C LYS A 68 81.630 -8.259 4.062 1.00 0.00 C ATOM 1142 O LYS A 68 82.667 -8.829 3.708 1.00 0.00 O ATOM 1143 CB LYS A 68 81.806 -7.636 6.505 1.00 0.00 C ATOM 1144 CG LYS A 68 80.816 -8.738 6.832 1.00 0.00 C ATOM 1145 CD LYS A 68 81.011 -9.350 8.193 1.00 0.00 C ATOM 1146 CE LYS A 68 80.035 -10.504 8.374 1.00 0.00 C ATOM 1147 NZ LYS A 68 80.260 -11.243 9.620 1.00 0.00 N ATOM 0 H LYS A 68 79.744 -6.391 5.527 1.00 0.00 H new ATOM 0 HA LYS A 68 82.555 -6.468 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 68 82.818 -8.013 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 68 81.666 -6.814 7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 68 79.805 -8.336 6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 68 80.897 -9.521 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 68 82.036 -9.706 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 68 80.851 -8.600 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 68 79.016 -10.118 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 68 80.125 -11.187 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 79.570 -12.017 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 81.223 -11.636 9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 80.148 -10.600 10.430 1.00 0.00 H new ATOM 1161 N PHE A 69 80.412 -8.616 3.638 1.00 0.00 N ATOM 1162 CA PHE A 69 80.186 -9.681 2.691 1.00 0.00 C ATOM 1163 C PHE A 69 80.785 -9.320 1.370 1.00 0.00 C ATOM 1164 O PHE A 69 81.613 -10.049 0.807 1.00 0.00 O ATOM 1165 CB PHE A 69 78.703 -9.779 2.440 1.00 0.00 C ATOM 1166 CG PHE A 69 77.885 -10.638 3.310 1.00 0.00 C ATOM 1167 CD1 PHE A 69 78.050 -10.661 4.669 1.00 0.00 C ATOM 1168 CD2 PHE A 69 76.886 -11.386 2.743 1.00 0.00 C ATOM 1169 CE1 PHE A 69 77.229 -11.417 5.454 1.00 0.00 C ATOM 1170 CE2 PHE A 69 76.069 -12.152 3.503 1.00 0.00 C ATOM 1171 CZ PHE A 69 76.235 -12.168 4.873 1.00 0.00 C ATOM 0 H PHE A 69 79.556 -8.161 3.954 1.00 0.00 H new ATOM 0 HA PHE A 69 80.615 -10.601 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 69 78.293 -8.770 2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 69 78.565 -10.123 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 69 78.836 -10.076 5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 69 76.749 -11.364 1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 69 77.359 -11.425 6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 69 75.294 -12.746 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 69 75.584 -12.771 5.489 1.00 0.00 H new ATOM 1181 N TYR A 70 80.382 -8.167 0.897 1.00 0.00 N ATOM 1182 CA TYR A 70 80.754 -7.676 -0.360 1.00 0.00 C ATOM 1183 C TYR A 70 81.019 -6.204 -0.243 1.00 0.00 C ATOM 1184 O TYR A 70 80.089 -5.416 -0.104 1.00 0.00 O ATOM 1185 CB TYR A 70 79.607 -7.899 -1.334 1.00 0.00 C ATOM 1186 CG TYR A 70 79.258 -9.344 -1.548 1.00 0.00 C ATOM 1187 CD1 TYR A 70 80.110 -10.171 -2.251 1.00 0.00 C ATOM 1188 CD2 TYR A 70 78.099 -9.890 -1.004 1.00 0.00 C ATOM 1189 CE1 TYR A 70 79.825 -11.499 -2.422 1.00 0.00 C ATOM 1190 CE2 TYR A 70 77.801 -11.226 -1.162 1.00 0.00 C ATOM 1191 CZ TYR A 70 78.671 -12.028 -1.879 1.00 0.00 C ATOM 1192 OH TYR A 70 78.395 -13.369 -2.036 1.00 0.00 O ATOM 0 H TYR A 70 79.765 -7.540 1.413 1.00 0.00 H new ATOM 0 HA TYR A 70 81.648 -8.189 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 70 78.725 -7.374 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.867 -7.453 -2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 70 81.017 -9.764 -2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 70 77.423 -9.257 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 70 80.500 -12.131 -2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 70 76.901 -11.641 -0.732 1.00 0.00 H new ATOM 0 HH TYR A 70 77.547 -13.582 -1.594 1.00 0.00 H new ATOM 1202 N SER A 71 82.254 -5.826 -0.243 1.00 0.00 N ATOM 1203 CA SER A 71 82.581 -4.433 -0.143 1.00 0.00 C ATOM 1204 C SER A 71 82.631 -3.801 -1.543 1.00 0.00 C ATOM 1205 O SER A 71 82.268 -2.636 -1.730 1.00 0.00 O ATOM 1206 CB SER A 71 83.896 -4.274 0.597 1.00 0.00 C ATOM 1207 OG SER A 71 83.867 -5.007 1.833 1.00 0.00 O ATOM 0 H SER A 71 83.054 -6.455 -0.311 1.00 0.00 H new ATOM 0 HA SER A 71 81.810 -3.910 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 71 84.716 -4.631 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 71 84.083 -3.219 0.797 1.00 0.00 H new ATOM 0 HG SER A 71 82.939 -5.105 2.134 1.00 0.00 H new ATOM 1213 N LYS A 72 83.092 -4.565 -2.509 1.00 0.00 N ATOM 1214 CA LYS A 72 83.122 -4.114 -3.883 1.00 0.00 C ATOM 1215 C LYS A 72 81.845 -4.537 -4.588 1.00 0.00 C ATOM 1216 O LYS A 72 81.206 -3.757 -5.274 1.00 0.00 O ATOM 1217 CB LYS A 72 84.341 -4.674 -4.629 1.00 0.00 C ATOM 1218 CG LYS A 72 84.531 -4.096 -6.028 1.00 0.00 C ATOM 1219 CD LYS A 72 84.740 -2.593 -5.960 1.00 0.00 C ATOM 1220 CE LYS A 72 84.924 -1.972 -7.327 1.00 0.00 C ATOM 1221 NZ LYS A 72 85.100 -0.508 -7.228 1.00 0.00 N ATOM 0 H LYS A 72 83.454 -5.508 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 72 83.199 -3.027 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 72 85.237 -4.476 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 72 84.242 -5.757 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 72 85.389 -4.567 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 72 83.659 -4.320 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 72 83.884 -2.132 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 72 85.615 -2.378 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 72 85.792 -2.413 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 84.059 -2.196 -7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 85.224 -0.108 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 84.260 -0.087 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 85.940 -0.297 -6.652 1.00 0.00 H new ATOM 1235 N ILE A 73 81.464 -5.772 -4.372 1.00 0.00 N ATOM 1236 CA ILE A 73 80.294 -6.366 -5.027 1.00 0.00 C ATOM 1237 C ILE A 73 79.051 -6.111 -4.150 1.00 0.00 C ATOM 1238 O ILE A 73 78.160 -6.966 -4.032 1.00 0.00 O ATOM 1239 CB ILE A 73 80.503 -7.907 -5.167 1.00 0.00 C ATOM 1240 CG1 ILE A 73 81.937 -8.221 -5.614 1.00 0.00 C ATOM 1241 CG2 ILE A 73 79.512 -8.495 -6.188 1.00 0.00 C ATOM 1242 CD1 ILE A 73 82.241 -9.698 -5.733 1.00 0.00 C ATOM 0 H ILE A 73 81.949 -6.406 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 73 80.160 -5.922 -6.013 1.00 0.00 H new ATOM 0 HB ILE A 73 80.326 -8.359 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 73 82.117 -7.746 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 73 82.633 -7.775 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 73 79.672 -9.570 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 73 78.491 -8.305 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 73 79.670 -8.027 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 73 83.274 -9.832 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 73 82.096 -10.178 -4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 73 81.572 -10.149 -6.466 1.00 0.00 H new ATOM 1254 N SER A 74 78.982 -4.927 -3.557 1.00 0.00 N ATOM 1255 CA SER A 74 77.913 -4.603 -2.631 1.00 0.00 C ATOM 1256 C SER A 74 76.554 -4.659 -3.310 1.00 0.00 C ATOM 1257 O SER A 74 75.575 -5.133 -2.734 1.00 0.00 O ATOM 1258 CB SER A 74 78.134 -3.236 -1.983 1.00 0.00 C ATOM 1259 OG SER A 74 79.412 -3.160 -1.367 1.00 0.00 O ATOM 0 H SER A 74 79.656 -4.176 -3.703 1.00 0.00 H new ATOM 0 HA SER A 74 77.928 -5.357 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 74 78.044 -2.454 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 74 77.358 -3.053 -1.240 1.00 0.00 H new ATOM 0 HG SER A 74 79.482 -3.848 -0.673 1.00 0.00 H new ATOM 1265 N GLU A 75 76.511 -4.205 -4.526 1.00 0.00 N ATOM 1266 CA GLU A 75 75.294 -4.213 -5.268 1.00 0.00 C ATOM 1267 C GLU A 75 75.137 -5.522 -6.056 1.00 0.00 C ATOM 1268 O GLU A 75 74.620 -6.513 -5.525 1.00 0.00 O ATOM 1269 CB GLU A 75 75.182 -2.988 -6.196 1.00 0.00 C ATOM 1270 CG GLU A 75 73.886 -2.937 -6.989 1.00 0.00 C ATOM 1271 CD GLU A 75 73.902 -1.907 -8.070 1.00 0.00 C ATOM 1272 OE1 GLU A 75 74.599 -2.108 -9.078 1.00 0.00 O ATOM 1273 OE2 GLU A 75 73.192 -0.890 -7.950 1.00 0.00 O ATOM 0 H GLU A 75 77.314 -3.822 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 75 74.475 -4.151 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.267 -2.081 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 75 76.022 -2.991 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.698 -3.916 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.059 -2.730 -6.310 1.00 0.00 H new ATOM 1280 N TYR A 76 75.670 -5.522 -7.280 1.00 0.00 N ATOM 1281 CA TYR A 76 75.518 -6.581 -8.267 1.00 0.00 C ATOM 1282 C TYR A 76 74.086 -7.116 -8.309 1.00 0.00 C ATOM 1283 O TYR A 76 73.742 -8.138 -7.700 1.00 0.00 O ATOM 1284 CB TYR A 76 76.570 -7.672 -8.138 1.00 0.00 C ATOM 1285 CG TYR A 76 76.635 -8.611 -9.327 1.00 0.00 C ATOM 1286 CD1 TYR A 76 76.266 -8.176 -10.594 1.00 0.00 C ATOM 1287 CD2 TYR A 76 77.100 -9.910 -9.195 1.00 0.00 C ATOM 1288 CE1 TYR A 76 76.350 -8.992 -11.679 1.00 0.00 C ATOM 1289 CE2 TYR A 76 77.183 -10.747 -10.293 1.00 0.00 C ATOM 1290 CZ TYR A 76 76.806 -10.277 -11.535 1.00 0.00 C ATOM 1291 OH TYR A 76 76.885 -11.093 -12.639 1.00 0.00 O ATOM 0 H TYR A 76 76.243 -4.749 -7.620 1.00 0.00 H new ATOM 0 HA TYR A 76 75.704 -6.131 -9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 76 77.546 -7.207 -8.002 1.00 0.00 H new ATOM 0 HB3 TYR A 76 76.366 -8.254 -7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 76 75.904 -7.166 -10.720 1.00 0.00 H new ATOM 0 HD2 TYR A 76 77.401 -10.273 -8.223 1.00 0.00 H new ATOM 0 HE1 TYR A 76 76.058 -8.628 -12.653 1.00 0.00 H new ATOM 0 HE2 TYR A 76 77.540 -11.760 -10.180 1.00 0.00 H new ATOM 0 HH TYR A 76 77.227 -11.972 -12.372 1.00 0.00 H new ATOM 1301 N ARG A 77 73.271 -6.416 -9.023 1.00 0.00 N ATOM 1302 CA ARG A 77 71.864 -6.656 -9.051 1.00 0.00 C ATOM 1303 C ARG A 77 71.390 -6.609 -10.465 1.00 0.00 C ATOM 1304 O ARG A 77 70.934 -5.568 -10.962 1.00 0.00 O ATOM 1305 CB ARG A 77 71.091 -5.621 -8.206 1.00 0.00 C ATOM 1306 CG ARG A 77 71.457 -5.596 -6.731 1.00 0.00 C ATOM 1307 CD ARG A 77 70.486 -6.370 -5.836 1.00 0.00 C ATOM 1308 NE ARG A 77 70.232 -7.753 -6.249 1.00 0.00 N ATOM 1309 CZ ARG A 77 70.729 -8.841 -5.653 1.00 0.00 C ATOM 1310 NH1 ARG A 77 71.748 -8.749 -4.798 1.00 0.00 N ATOM 1311 NH2 ARG A 77 70.210 -10.025 -5.942 1.00 0.00 N ATOM 0 H ARG A 77 73.569 -5.643 -9.618 1.00 0.00 H new ATOM 0 HA ARG A 77 71.675 -7.640 -8.621 1.00 0.00 H new ATOM 0 HB2 ARG A 77 71.264 -4.630 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 77 70.024 -5.824 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 77 72.458 -6.011 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 77 71.498 -4.560 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 77 70.879 -6.377 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 77 69.537 -5.835 -5.807 1.00 0.00 H new ATOM 0 HE ARG A 77 69.627 -7.897 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 77 72.159 -7.839 -4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 77 72.116 -9.589 -4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 77 69.443 -10.096 -6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 77 70.578 -10.866 -5.496 1.00 0.00 H new ATOM 1325 N HIS A 78 71.593 -7.680 -11.141 1.00 0.00 N ATOM 1326 CA HIS A 78 71.094 -7.818 -12.462 1.00 0.00 C ATOM 1327 C HIS A 78 69.742 -8.522 -12.350 1.00 0.00 C ATOM 1328 O HIS A 78 68.748 -7.867 -12.055 1.00 0.00 O ATOM 1329 CB HIS A 78 72.142 -8.506 -13.408 1.00 0.00 C ATOM 1330 CG HIS A 78 72.616 -9.877 -13.023 1.00 0.00 C ATOM 1331 ND1 HIS A 78 72.385 -11.023 -13.755 1.00 0.00 N ATOM 1332 CD2 HIS A 78 73.300 -10.248 -11.966 1.00 0.00 C ATOM 1333 CE1 HIS A 78 72.940 -12.046 -13.100 1.00 0.00 C ATOM 1334 NE2 HIS A 78 73.516 -11.619 -11.989 1.00 0.00 N ATOM 0 H HIS A 78 72.111 -8.488 -10.795 1.00 0.00 H new ATOM 0 HA HIS A 78 70.932 -6.854 -12.945 1.00 0.00 H new ATOM 0 HB2 HIS A 78 71.708 -8.566 -14.406 1.00 0.00 H new ATOM 0 HB3 HIS A 78 73.013 -7.854 -13.478 1.00 0.00 H new ATOM 0 HD2 HIS A 78 73.645 -9.582 -11.189 1.00 0.00 H new ATOM 0 HE1 HIS A 78 72.921 -13.074 -13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 78 74.013 -12.178 -11.296 1.00 0.00 H new ATOM 1342 N TYR A 79 69.744 -9.833 -12.482 1.00 0.00 N ATOM 1343 CA TYR A 79 68.626 -10.702 -12.178 1.00 0.00 C ATOM 1344 C TYR A 79 67.368 -10.437 -12.981 1.00 0.00 C ATOM 1345 O TYR A 79 66.675 -9.420 -12.825 1.00 0.00 O ATOM 1346 CB TYR A 79 68.363 -10.748 -10.677 1.00 0.00 C ATOM 1347 CG TYR A 79 69.567 -11.257 -9.896 1.00 0.00 C ATOM 1348 CD1 TYR A 79 70.573 -10.388 -9.464 1.00 0.00 C ATOM 1349 CD2 TYR A 79 69.712 -12.607 -9.623 1.00 0.00 C ATOM 1350 CE1 TYR A 79 71.675 -10.859 -8.785 1.00 0.00 C ATOM 1351 CE2 TYR A 79 70.818 -13.083 -8.949 1.00 0.00 C ATOM 1352 CZ TYR A 79 71.794 -12.204 -8.530 1.00 0.00 C ATOM 1353 OH TYR A 79 72.909 -12.682 -7.869 1.00 0.00 O ATOM 0 H TYR A 79 70.560 -10.343 -12.819 1.00 0.00 H new ATOM 0 HA TYR A 79 68.933 -11.695 -12.505 1.00 0.00 H new ATOM 0 HB2 TYR A 79 68.100 -9.750 -10.326 1.00 0.00 H new ATOM 0 HB3 TYR A 79 67.506 -11.392 -10.480 1.00 0.00 H new ATOM 0 HD1 TYR A 79 70.485 -9.331 -9.666 1.00 0.00 H new ATOM 0 HD2 TYR A 79 68.947 -13.299 -9.943 1.00 0.00 H new ATOM 0 HE1 TYR A 79 72.442 -10.174 -8.455 1.00 0.00 H new ATOM 0 HE2 TYR A 79 70.919 -14.140 -8.751 1.00 0.00 H new ATOM 0 HH TYR A 79 72.837 -13.654 -7.767 1.00 0.00 H new ATOM 1363 N SER A 80 67.112 -11.345 -13.837 1.00 0.00 N ATOM 1364 CA SER A 80 65.941 -11.373 -14.637 1.00 0.00 C ATOM 1365 C SER A 80 65.550 -12.832 -14.823 1.00 0.00 C ATOM 1366 O SER A 80 65.836 -13.432 -15.878 1.00 0.00 O ATOM 1367 CB SER A 80 66.169 -10.619 -15.962 1.00 0.00 C ATOM 1368 OG SER A 80 67.421 -10.969 -16.568 1.00 0.00 O ATOM 0 H SER A 80 67.739 -12.130 -14.013 1.00 0.00 H new ATOM 0 HA SER A 80 65.113 -10.853 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 80 65.356 -10.844 -16.652 1.00 0.00 H new ATOM 0 HB3 SER A 80 66.143 -9.545 -15.778 1.00 0.00 H new ATOM 0 HG SER A 80 67.494 -11.944 -16.627 1.00 0.00 H new TER 1374 SER A 80 HETATM 1375 ZN ZN A 200 72.982 -7.255 6.188 1.00 0.00 ZN