USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 76 GLN : amide:sc= -0.124 K(o=0.86,f=0.053) USER MOD Set 1.2: A 80 SER OG : rot 78:sc= 0.98 USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.18) USER MOD Single : A 1 GLU N :NH3+ -165:sc= -0.0317 (180deg=-0.335) USER MOD Single : A 8 THR OG1 : rot 68:sc= 0.551 USER MOD Single : A 14 GLN : amide:sc= -0.958 K(o=-0.96,f=-0.0029) USER MOD Single : A 16 HIS : no HD1:sc= -0.84 X(o=-0.84,f=-0.4) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 0.599 (180deg=-0.0645) USER MOD Single : A 19 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-1.4) USER MOD Single : A 21 ASN : amide:sc= -0.0826 K(o=-0.083,f=-3.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -71:sc= 1.85 USER MOD Single : A 39 TYR OH : rot -24:sc= 1.3 USER MOD Single : A 42 THR OG1 : rot 162:sc= -2.15 USER MOD Single : A 43 TYR OH : rot -155:sc= 0.505 USER MOD Single : A 44 TYR OH : rot 78:sc= 0.443 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -0.616 (180deg=-1.78!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 63 TYR OH : rot -161:sc= -0.841 USER MOD Single : A 65 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.0027) USER MOD Single : A 75 THR OG1 : rot -40:sc= 0.377 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000776) USER MOD Single : A 88 LYS NZ :NH3+ -108:sc= -1.54 (180deg=-3.68!) USER MOD Single : A 94 HIS : no HE2:sc= 0.0155 K(o=0.016,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= -0.009 K(o=-0.009,f=-1.2) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.305 K(o=-0.31,f=-1.2) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -12.864 -0.633 17.870 1.00 0.00 N ATOM 2 CA GLU A 1 -11.891 -0.983 16.813 1.00 0.00 C ATOM 3 C GLU A 1 -12.394 -2.227 16.049 1.00 0.00 C ATOM 4 O GLU A 1 -12.438 -3.331 16.606 1.00 0.00 O ATOM 5 CB GLU A 1 -10.497 -1.227 17.437 1.00 0.00 C ATOM 6 CG GLU A 1 -9.941 -0.030 18.238 1.00 0.00 C ATOM 7 CD GLU A 1 -8.593 -0.342 18.906 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.584 -0.896 20.021 1.00 0.00 O ATOM 9 OE2 GLU A 1 -7.539 -0.060 18.304 1.00 0.00 O ATOM 0 H1 GLU A 1 -12.671 0.329 18.215 1.00 0.00 H new ATOM 0 H2 GLU A 1 -13.828 -0.675 17.482 1.00 0.00 H new ATOM 0 H3 GLU A 1 -12.778 -1.307 18.658 1.00 0.00 H new ATOM 0 HA GLU A 1 -11.797 -0.159 16.106 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -10.553 -2.095 18.095 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.794 -1.475 16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -9.823 0.825 17.572 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -10.663 0.258 19.002 1.00 0.00 H new ATOM 18 N ASP A 2 -12.797 -2.024 14.783 1.00 0.00 N ATOM 19 CA ASP A 2 -13.365 -3.079 13.908 1.00 0.00 C ATOM 20 C ASP A 2 -12.425 -3.317 12.714 1.00 0.00 C ATOM 21 O ASP A 2 -11.694 -2.404 12.338 1.00 0.00 O ATOM 22 CB ASP A 2 -14.767 -2.636 13.385 1.00 0.00 C ATOM 23 CG ASP A 2 -15.781 -2.373 14.511 1.00 0.00 C ATOM 24 OD1 ASP A 2 -16.313 -3.342 15.081 1.00 0.00 O ATOM 25 OD2 ASP A 2 -16.050 -1.197 14.835 1.00 0.00 O ATOM 0 H ASP A 2 -12.739 -1.113 14.327 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.470 -4.001 14.480 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.655 -1.731 12.788 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.161 -3.408 12.724 1.00 0.00 H new ATOM 30 N PRO A 3 -12.447 -4.518 12.050 1.00 0.00 N ATOM 31 CA PRO A 3 -11.638 -4.759 10.820 1.00 0.00 C ATOM 32 C PRO A 3 -12.196 -3.999 9.588 1.00 0.00 C ATOM 33 O PRO A 3 -11.677 -4.123 8.477 1.00 0.00 O ATOM 34 CB PRO A 3 -11.725 -6.290 10.646 1.00 0.00 C ATOM 35 CG PRO A 3 -13.052 -6.654 11.242 1.00 0.00 C ATOM 36 CD PRO A 3 -13.237 -5.728 12.427 1.00 0.00 C ATOM 0 HA PRO A 3 -10.614 -4.395 10.908 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.669 -6.575 9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.906 -6.796 11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.855 -6.527 10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.068 -7.698 11.555 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.288 -5.487 12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.868 -6.177 13.349 1.00 0.00 H new ATOM 44 N GLU A 4 -13.285 -3.249 9.812 1.00 0.00 N ATOM 45 CA GLU A 4 -13.862 -2.305 8.847 1.00 0.00 C ATOM 46 C GLU A 4 -13.248 -0.900 9.031 1.00 0.00 C ATOM 47 O GLU A 4 -13.182 -0.119 8.074 1.00 0.00 O ATOM 48 CB GLU A 4 -15.395 -2.269 9.051 1.00 0.00 C ATOM 49 CG GLU A 4 -16.096 -3.620 8.811 1.00 0.00 C ATOM 50 CD GLU A 4 -17.589 -3.573 9.148 1.00 0.00 C ATOM 51 OE1 GLU A 4 -18.396 -3.163 8.290 1.00 0.00 O ATOM 52 OE2 GLU A 4 -17.962 -3.928 10.285 1.00 0.00 O ATOM 0 H GLU A 4 -13.801 -3.284 10.691 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.638 -2.629 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.607 -1.938 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.823 -1.526 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.971 -3.910 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.614 -4.388 9.416 1.00 0.00 H new ATOM 59 N ASP A 5 -12.785 -0.603 10.266 1.00 0.00 N ATOM 60 CA ASP A 5 -12.135 0.684 10.601 1.00 0.00 C ATOM 61 C ASP A 5 -10.769 0.787 9.890 1.00 0.00 C ATOM 62 O ASP A 5 -9.938 -0.109 10.081 1.00 0.00 O ATOM 63 CB ASP A 5 -11.928 0.831 12.131 1.00 0.00 C ATOM 64 CG ASP A 5 -11.236 2.157 12.515 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.926 3.190 12.605 1.00 0.00 O ATOM 66 OD2 ASP A 5 -9.992 2.179 12.687 1.00 0.00 O ATOM 0 H ASP A 5 -12.851 -1.246 11.055 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.791 1.486 10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.895 0.772 12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.330 -0.005 12.494 1.00 0.00 H new ATOM 71 N PRO A 6 -10.533 1.881 9.078 1.00 0.00 N ATOM 72 CA PRO A 6 -9.316 2.066 8.251 1.00 0.00 C ATOM 73 C PRO A 6 -7.991 1.716 8.961 1.00 0.00 C ATOM 74 O PRO A 6 -7.249 0.847 8.486 1.00 0.00 O ATOM 75 CB PRO A 6 -9.387 3.564 7.866 1.00 0.00 C ATOM 76 CG PRO A 6 -10.848 3.850 7.788 1.00 0.00 C ATOM 77 CD PRO A 6 -11.473 3.022 8.887 1.00 0.00 C ATOM 0 HA PRO A 6 -9.307 1.385 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.897 4.191 8.611 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.892 3.755 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.050 4.912 7.932 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.251 3.578 6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.586 3.600 9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.467 2.674 8.605 1.00 0.00 H new ATOM 85 N PHE A 7 -7.719 2.370 10.100 1.00 0.00 N ATOM 86 CA PHE A 7 -6.461 2.173 10.843 1.00 0.00 C ATOM 87 C PHE A 7 -6.396 0.791 11.525 1.00 0.00 C ATOM 88 O PHE A 7 -5.310 0.226 11.617 1.00 0.00 O ATOM 89 CB PHE A 7 -6.236 3.301 11.884 1.00 0.00 C ATOM 90 CG PHE A 7 -4.896 3.201 12.639 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.688 3.468 11.986 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.843 2.837 13.989 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.478 3.367 12.655 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.632 2.740 14.655 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.452 3.006 13.989 1.00 0.00 C ATOM 0 H PHE A 7 -8.354 3.042 10.529 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.657 2.215 10.108 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.284 4.264 11.376 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.051 3.281 12.608 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.698 3.757 10.945 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.760 2.628 14.520 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.555 3.571 12.133 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.611 2.456 15.697 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.509 2.932 14.510 1.00 0.00 H new ATOM 105 N THR A 8 -7.542 0.253 11.999 1.00 0.00 N ATOM 106 CA THR A 8 -7.558 -1.046 12.713 1.00 0.00 C ATOM 107 C THR A 8 -7.141 -2.202 11.777 1.00 0.00 C ATOM 108 O THR A 8 -6.284 -2.997 12.139 1.00 0.00 O ATOM 109 CB THR A 8 -8.948 -1.356 13.364 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.341 -0.276 14.226 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.943 -2.666 14.184 1.00 0.00 C ATOM 0 H THR A 8 -8.458 0.691 11.902 1.00 0.00 H new ATOM 0 HA THR A 8 -6.829 -0.962 13.519 1.00 0.00 H new ATOM 0 HB THR A 8 -9.656 -1.473 12.544 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.531 0.520 13.687 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.932 -2.831 14.612 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.685 -3.502 13.533 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.208 -2.591 14.986 1.00 0.00 H new ATOM 119 N ARG A 9 -7.734 -2.259 10.565 1.00 0.00 N ATOM 120 CA ARG A 9 -7.444 -3.320 9.557 1.00 0.00 C ATOM 121 C ARG A 9 -6.045 -3.119 8.925 1.00 0.00 C ATOM 122 O ARG A 9 -5.401 -4.083 8.504 1.00 0.00 O ATOM 123 CB ARG A 9 -8.553 -3.329 8.458 1.00 0.00 C ATOM 124 CG ARG A 9 -8.597 -2.047 7.588 1.00 0.00 C ATOM 125 CD ARG A 9 -10.010 -1.511 7.290 1.00 0.00 C ATOM 126 NE ARG A 9 -10.743 -2.223 6.231 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.552 -1.613 5.338 1.00 0.00 C ATOM 128 NH1 ARG A 9 -11.724 -0.294 5.364 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.206 -2.320 4.447 1.00 0.00 N ATOM 0 H ARG A 9 -8.425 -1.577 10.252 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.443 -4.286 10.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.398 -4.190 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.523 -3.462 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.027 -1.266 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.095 -2.250 6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.598 -1.553 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.931 -0.460 7.011 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.634 -3.235 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.242 0.269 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.338 0.154 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.105 -3.335 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.816 -1.855 3.775 1.00 0.00 H new ATOM 143 N TYR A 10 -5.601 -1.846 8.879 1.00 0.00 N ATOM 144 CA TYR A 10 -4.264 -1.445 8.380 1.00 0.00 C ATOM 145 C TYR A 10 -3.161 -1.947 9.319 1.00 0.00 C ATOM 146 O TYR A 10 -2.190 -2.582 8.890 1.00 0.00 O ATOM 147 CB TYR A 10 -4.221 0.100 8.259 1.00 0.00 C ATOM 148 CG TYR A 10 -2.861 0.724 7.911 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.221 0.445 6.700 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.237 1.621 8.783 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.012 1.035 6.382 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.035 2.206 8.464 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.426 1.913 7.270 1.00 0.00 C ATOM 154 OH TYR A 10 0.773 2.504 6.965 1.00 0.00 O ATOM 0 H TYR A 10 -6.166 -1.056 9.191 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.090 -1.893 7.402 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.940 0.402 7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.560 0.525 9.204 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.678 -0.242 6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.708 1.859 9.725 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.529 0.810 5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.570 2.896 9.153 1.00 0.00 H new ATOM 0 HH TYR A 10 1.043 3.094 7.699 1.00 0.00 H new ATOM 164 N ALA A 11 -3.350 -1.645 10.606 1.00 0.00 N ATOM 165 CA ALA A 11 -2.418 -2.002 11.677 1.00 0.00 C ATOM 166 C ALA A 11 -2.432 -3.519 11.904 1.00 0.00 C ATOM 167 O ALA A 11 -1.388 -4.112 12.158 1.00 0.00 O ATOM 168 CB ALA A 11 -2.774 -1.231 12.959 1.00 0.00 C ATOM 0 H ALA A 11 -4.170 -1.137 10.938 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.405 -1.721 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.077 -1.501 13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.710 -0.160 12.769 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.789 -1.485 13.266 1.00 0.00 H new ATOM 174 N LEU A 12 -3.635 -4.123 11.764 1.00 0.00 N ATOM 175 CA LEU A 12 -3.849 -5.585 11.839 1.00 0.00 C ATOM 176 C LEU A 12 -3.013 -6.293 10.765 1.00 0.00 C ATOM 177 O LEU A 12 -2.328 -7.278 11.049 1.00 0.00 O ATOM 178 CB LEU A 12 -5.356 -5.917 11.641 1.00 0.00 C ATOM 179 CG LEU A 12 -5.779 -7.421 11.704 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.457 -8.059 13.076 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.277 -7.584 11.345 1.00 0.00 C ATOM 0 H LEU A 12 -4.494 -3.601 11.594 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.536 -5.936 12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.922 -5.377 12.400 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.663 -5.522 10.673 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.189 -7.958 10.961 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.768 -9.104 13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.385 -8.000 13.262 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.991 -7.523 13.861 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.551 -8.638 11.395 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.884 -7.018 12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.452 -7.211 10.336 1.00 0.00 H new ATOM 193 N ALA A 13 -3.080 -5.747 9.536 1.00 0.00 N ATOM 194 CA ALA A 13 -2.329 -6.244 8.374 1.00 0.00 C ATOM 195 C ALA A 13 -0.815 -6.208 8.630 1.00 0.00 C ATOM 196 O ALA A 13 -0.097 -7.150 8.294 1.00 0.00 O ATOM 197 CB ALA A 13 -2.699 -5.429 7.125 1.00 0.00 C ATOM 0 H ALA A 13 -3.665 -4.939 9.323 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.602 -7.286 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.139 -5.803 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.767 -5.526 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.454 -4.380 7.289 1.00 0.00 H new ATOM 203 N GLN A 14 -0.349 -5.118 9.252 1.00 0.00 N ATOM 204 CA GLN A 14 1.072 -4.946 9.604 1.00 0.00 C ATOM 205 C GLN A 14 1.510 -5.912 10.725 1.00 0.00 C ATOM 206 O GLN A 14 2.678 -6.311 10.757 1.00 0.00 O ATOM 207 CB GLN A 14 1.349 -3.469 9.973 1.00 0.00 C ATOM 208 CG GLN A 14 1.048 -2.486 8.819 1.00 0.00 C ATOM 209 CD GLN A 14 1.225 -1.026 9.212 1.00 0.00 C ATOM 210 OE1 GLN A 14 2.292 -0.445 9.043 1.00 0.00 O ATOM 211 NE2 GLN A 14 0.185 -0.430 9.769 1.00 0.00 N ATOM 0 H GLN A 14 -0.940 -4.333 9.526 1.00 0.00 H new ATOM 0 HA GLN A 14 1.674 -5.201 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.745 -3.198 10.839 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.393 -3.365 10.267 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.704 -2.711 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.025 -2.641 8.476 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.689 -0.941 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.256 0.541 10.072 1.00 0.00 H new ATOM 220 N GLU A 15 0.570 -6.300 11.624 1.00 0.00 N ATOM 221 CA GLU A 15 0.833 -7.349 12.638 1.00 0.00 C ATOM 222 C GLU A 15 1.017 -8.709 11.932 1.00 0.00 C ATOM 223 O GLU A 15 1.896 -9.498 12.302 1.00 0.00 O ATOM 224 CB GLU A 15 -0.308 -7.456 13.698 1.00 0.00 C ATOM 225 CG GLU A 15 -0.639 -6.159 14.464 1.00 0.00 C ATOM 226 CD GLU A 15 0.589 -5.475 15.085 1.00 0.00 C ATOM 227 OE1 GLU A 15 1.038 -5.896 16.174 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.113 -4.508 14.492 1.00 0.00 O ATOM 0 H GLU A 15 -0.369 -5.905 11.666 1.00 0.00 H new ATOM 0 HA GLU A 15 1.742 -7.070 13.171 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.213 -7.800 13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.034 -8.223 14.422 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.127 -5.461 13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.355 -6.387 15.254 1.00 0.00 H new ATOM 235 N HIS A 16 0.165 -8.961 10.907 1.00 0.00 N ATOM 236 CA HIS A 16 0.260 -10.161 10.055 1.00 0.00 C ATOM 237 C HIS A 16 1.643 -10.229 9.371 1.00 0.00 C ATOM 238 O HIS A 16 2.268 -11.285 9.357 1.00 0.00 O ATOM 239 CB HIS A 16 -0.880 -10.217 8.990 1.00 0.00 C ATOM 240 CG HIS A 16 -2.268 -10.454 9.543 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.654 -11.633 10.145 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.366 -9.666 9.563 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.917 -11.550 10.508 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.368 -10.369 10.169 1.00 0.00 N ATOM 0 H HIS A 16 -0.602 -8.338 10.653 1.00 0.00 H new ATOM 0 HA HIS A 16 0.141 -11.029 10.703 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.883 -9.279 8.435 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.650 -11.009 8.277 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.438 -8.662 9.171 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.485 -12.325 11.002 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.316 -10.028 10.331 1.00 0.00 H new ATOM 253 N LEU A 17 2.126 -9.080 8.856 1.00 0.00 N ATOM 254 CA LEU A 17 3.448 -8.980 8.198 1.00 0.00 C ATOM 255 C LEU A 17 4.599 -9.354 9.163 1.00 0.00 C ATOM 256 O LEU A 17 5.559 -10.016 8.750 1.00 0.00 O ATOM 257 CB LEU A 17 3.655 -7.551 7.619 1.00 0.00 C ATOM 258 CG LEU A 17 2.756 -7.192 6.391 1.00 0.00 C ATOM 259 CD1 LEU A 17 2.905 -5.713 5.974 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.045 -8.135 5.199 1.00 0.00 C ATOM 0 H LEU A 17 1.614 -8.198 8.883 1.00 0.00 H new ATOM 0 HA LEU A 17 3.467 -9.698 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.468 -6.825 8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.700 -7.442 7.328 1.00 0.00 H new ATOM 0 HG LEU A 17 1.720 -7.335 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.262 -5.510 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.616 -5.070 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.942 -5.514 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.407 -7.864 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.091 -8.041 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.841 -9.165 5.492 1.00 0.00 H new ATOM 272 N LYS A 18 4.475 -8.944 10.444 1.00 0.00 N ATOM 273 CA LYS A 18 5.453 -9.294 11.506 1.00 0.00 C ATOM 274 C LYS A 18 5.542 -10.823 11.692 1.00 0.00 C ATOM 275 O LYS A 18 6.622 -11.372 11.926 1.00 0.00 O ATOM 276 CB LYS A 18 5.046 -8.639 12.853 1.00 0.00 C ATOM 277 CG LYS A 18 5.018 -7.097 12.845 1.00 0.00 C ATOM 278 CD LYS A 18 4.470 -6.517 14.163 1.00 0.00 C ATOM 279 CE LYS A 18 4.433 -4.984 14.172 1.00 0.00 C ATOM 280 NZ LYS A 18 3.892 -4.469 15.453 1.00 0.00 N ATOM 0 H LYS A 18 3.702 -8.366 10.773 1.00 0.00 H new ATOM 0 HA LYS A 18 6.428 -8.917 11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.058 -9.004 13.133 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.740 -8.971 13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.026 -6.718 12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.403 -6.751 12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.464 -6.900 14.332 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.087 -6.865 14.991 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.438 -4.592 14.015 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.819 -4.627 13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.389 -3.593 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.876 -4.272 15.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.030 -5.180 16.199 1.00 0.00 H new ATOM 294 N HIS A 19 4.380 -11.489 11.572 1.00 0.00 N ATOM 295 CA HIS A 19 4.243 -12.946 11.786 1.00 0.00 C ATOM 296 C HIS A 19 4.421 -13.736 10.469 1.00 0.00 C ATOM 297 O HIS A 19 4.231 -14.954 10.464 1.00 0.00 O ATOM 298 CB HIS A 19 2.860 -13.259 12.398 1.00 0.00 C ATOM 299 CG HIS A 19 2.569 -12.563 13.698 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.498 -11.719 13.868 1.00 0.00 N ATOM 301 CD2 HIS A 19 3.193 -12.613 14.901 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.472 -11.282 15.103 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.487 -11.809 15.757 1.00 0.00 N ATOM 0 H HIS A 19 3.503 -11.032 11.323 1.00 0.00 H new ATOM 0 HA HIS A 19 5.030 -13.257 12.473 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.090 -12.986 11.677 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.783 -14.335 12.554 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.080 -13.180 15.140 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.741 -10.603 15.516 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.710 -11.645 16.739 1.00 0.00 H new ATOM 312 N ASP A 20 4.768 -13.026 9.370 1.00 0.00 N ATOM 313 CA ASP A 20 4.954 -13.607 8.007 1.00 0.00 C ATOM 314 C ASP A 20 3.611 -14.124 7.408 1.00 0.00 C ATOM 315 O ASP A 20 3.588 -14.866 6.422 1.00 0.00 O ATOM 316 CB ASP A 20 6.074 -14.703 8.005 1.00 0.00 C ATOM 317 CG ASP A 20 6.524 -15.147 6.595 1.00 0.00 C ATOM 318 OD1 ASP A 20 7.092 -14.314 5.861 1.00 0.00 O ATOM 319 OD2 ASP A 20 6.294 -16.314 6.209 1.00 0.00 O ATOM 0 H ASP A 20 4.930 -12.019 9.399 1.00 0.00 H new ATOM 0 HA ASP A 20 5.293 -12.806 7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.940 -14.323 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.714 -15.575 8.551 1.00 0.00 H new ATOM 324 N ASN A 21 2.482 -13.682 7.999 1.00 0.00 N ATOM 325 CA ASN A 21 1.118 -13.891 7.454 1.00 0.00 C ATOM 326 C ASN A 21 0.823 -12.816 6.386 1.00 0.00 C ATOM 327 O ASN A 21 -0.191 -12.105 6.436 1.00 0.00 O ATOM 328 CB ASN A 21 0.063 -13.870 8.597 1.00 0.00 C ATOM 329 CG ASN A 21 0.235 -15.015 9.594 1.00 0.00 C ATOM 330 OD1 ASN A 21 0.939 -14.889 10.587 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.404 -16.138 9.335 1.00 0.00 N ATOM 0 H ASN A 21 2.488 -13.164 8.878 1.00 0.00 H new ATOM 0 HA ASN A 21 1.060 -14.871 6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.131 -12.921 9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.935 -13.922 8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.319 -16.931 9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.984 -16.214 8.499 1.00 0.00 H new ATOM 338 N ALA A 22 1.721 -12.755 5.389 1.00 0.00 N ATOM 339 CA ALA A 22 1.708 -11.747 4.323 1.00 0.00 C ATOM 340 C ALA A 22 0.451 -11.870 3.451 1.00 0.00 C ATOM 341 O ALA A 22 -0.037 -10.868 2.944 1.00 0.00 O ATOM 342 CB ALA A 22 2.983 -11.884 3.487 1.00 0.00 C ATOM 0 H ALA A 22 2.490 -13.419 5.302 1.00 0.00 H new ATOM 0 HA ALA A 22 1.682 -10.754 4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.979 -11.137 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.854 -11.732 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.025 -12.881 3.048 1.00 0.00 H new ATOM 348 N SER A 23 -0.033 -13.113 3.273 1.00 0.00 N ATOM 349 CA SER A 23 -1.293 -13.418 2.573 1.00 0.00 C ATOM 350 C SER A 23 -2.497 -12.692 3.210 1.00 0.00 C ATOM 351 O SER A 23 -3.316 -12.089 2.500 1.00 0.00 O ATOM 352 CB SER A 23 -1.519 -14.947 2.564 1.00 0.00 C ATOM 353 OG SER A 23 -2.725 -15.301 1.909 1.00 0.00 O ATOM 0 H SER A 23 0.447 -13.945 3.616 1.00 0.00 H new ATOM 0 HA SER A 23 -1.210 -13.056 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.680 -15.435 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.541 -15.316 3.589 1.00 0.00 H new ATOM 0 HG SER A 23 -2.831 -16.275 1.923 1.00 0.00 H new ATOM 359 N ARG A 24 -2.581 -12.739 4.553 1.00 0.00 N ATOM 360 CA ARG A 24 -3.689 -12.131 5.316 1.00 0.00 C ATOM 361 C ARG A 24 -3.593 -10.597 5.269 1.00 0.00 C ATOM 362 O ARG A 24 -4.609 -9.899 5.195 1.00 0.00 O ATOM 363 CB ARG A 24 -3.657 -12.629 6.787 1.00 0.00 C ATOM 364 CG ARG A 24 -3.665 -14.165 6.955 1.00 0.00 C ATOM 365 CD ARG A 24 -4.894 -14.837 6.317 1.00 0.00 C ATOM 366 NE ARG A 24 -4.867 -16.304 6.505 1.00 0.00 N ATOM 367 CZ ARG A 24 -5.886 -17.055 6.954 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.034 -16.502 7.315 1.00 0.00 N ATOM 369 NH2 ARG A 24 -5.741 -18.367 7.057 1.00 0.00 N ATOM 0 H ARG A 24 -1.884 -13.199 5.139 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.634 -12.432 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.766 -12.230 7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.517 -12.216 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.760 -14.578 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.636 -14.408 8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.803 -14.429 6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.925 -14.606 5.252 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.999 -16.787 6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.154 -15.491 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.798 -17.087 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.857 -18.805 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.513 -18.940 7.398 1.00 0.00 H new ATOM 383 N ALA A 25 -2.347 -10.100 5.301 1.00 0.00 N ATOM 384 CA ALA A 25 -2.042 -8.668 5.192 1.00 0.00 C ATOM 385 C ALA A 25 -2.414 -8.130 3.804 1.00 0.00 C ATOM 386 O ALA A 25 -2.986 -7.051 3.682 1.00 0.00 O ATOM 387 CB ALA A 25 -0.552 -8.444 5.458 1.00 0.00 C ATOM 0 H ALA A 25 -1.518 -10.686 5.404 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.633 -8.129 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.324 -7.381 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.305 -8.793 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.036 -8.998 4.726 1.00 0.00 H new ATOM 393 N LEU A 26 -2.113 -8.953 2.782 1.00 0.00 N ATOM 394 CA LEU A 26 -2.321 -8.637 1.358 1.00 0.00 C ATOM 395 C LEU A 26 -3.811 -8.382 1.098 1.00 0.00 C ATOM 396 O LEU A 26 -4.191 -7.368 0.505 1.00 0.00 O ATOM 397 CB LEU A 26 -1.807 -9.826 0.492 1.00 0.00 C ATOM 398 CG LEU A 26 -1.748 -9.601 -1.047 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.723 -8.511 -1.414 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.457 -10.923 -1.793 1.00 0.00 C ATOM 0 H LEU A 26 -1.709 -9.878 2.928 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.766 -7.738 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.806 -10.088 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.446 -10.688 0.685 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.728 -9.250 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.705 -8.377 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.004 -7.572 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.267 -8.811 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.422 -10.735 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.499 -11.324 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.245 -11.644 -1.577 1.00 0.00 H new ATOM 412 N ALA A 27 -4.624 -9.326 1.594 1.00 0.00 N ATOM 413 CA ALA A 27 -6.092 -9.267 1.548 1.00 0.00 C ATOM 414 C ALA A 27 -6.651 -8.010 2.247 1.00 0.00 C ATOM 415 O ALA A 27 -7.533 -7.357 1.698 1.00 0.00 O ATOM 416 CB ALA A 27 -6.670 -10.542 2.175 1.00 0.00 C ATOM 0 H ALA A 27 -4.272 -10.169 2.048 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.396 -9.201 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.759 -10.502 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.322 -11.412 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.340 -10.620 3.211 1.00 0.00 H new ATOM 422 N LEU A 28 -6.124 -7.688 3.451 1.00 0.00 N ATOM 423 CA LEU A 28 -6.578 -6.518 4.259 1.00 0.00 C ATOM 424 C LEU A 28 -6.241 -5.169 3.603 1.00 0.00 C ATOM 425 O LEU A 28 -7.006 -4.207 3.741 1.00 0.00 O ATOM 426 CB LEU A 28 -5.984 -6.567 5.688 1.00 0.00 C ATOM 427 CG LEU A 28 -6.632 -7.601 6.657 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.834 -7.697 7.969 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.118 -7.256 6.930 1.00 0.00 C ATOM 0 H LEU A 28 -5.377 -8.224 3.893 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.664 -6.592 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.919 -6.787 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.073 -5.576 6.132 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.603 -8.578 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.306 -8.425 8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.813 -8.012 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.817 -6.722 8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.544 -7.994 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.185 -6.266 7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.672 -7.264 5.991 1.00 0.00 H new ATOM 441 N PHE A 29 -5.086 -5.095 2.932 1.00 0.00 N ATOM 442 CA PHE A 29 -4.682 -3.892 2.191 1.00 0.00 C ATOM 443 C PHE A 29 -5.552 -3.732 0.924 1.00 0.00 C ATOM 444 O PHE A 29 -5.991 -2.639 0.609 1.00 0.00 O ATOM 445 CB PHE A 29 -3.174 -3.926 1.829 1.00 0.00 C ATOM 446 CG PHE A 29 -2.196 -3.792 3.004 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.354 -2.785 3.959 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.105 -4.657 3.140 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.459 -2.655 5.007 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.214 -4.525 4.188 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.391 -3.526 5.123 1.00 0.00 C ATOM 0 H PHE A 29 -4.410 -5.858 2.886 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.840 -3.027 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.966 -4.864 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.973 -3.122 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.185 -2.099 3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.956 -5.442 2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.595 -1.871 5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.621 -5.204 4.275 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.303 -3.424 5.944 1.00 0.00 H new ATOM 461 N GLU A 30 -5.817 -4.839 0.213 1.00 0.00 N ATOM 462 CA GLU A 30 -6.737 -4.844 -0.950 1.00 0.00 C ATOM 463 C GLU A 30 -8.192 -4.551 -0.522 1.00 0.00 C ATOM 464 O GLU A 30 -8.967 -3.986 -1.294 1.00 0.00 O ATOM 465 CB GLU A 30 -6.639 -6.192 -1.700 1.00 0.00 C ATOM 466 CG GLU A 30 -5.306 -6.384 -2.445 1.00 0.00 C ATOM 467 CD GLU A 30 -5.213 -7.720 -3.184 1.00 0.00 C ATOM 468 OE1 GLU A 30 -6.024 -7.951 -4.107 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.330 -8.533 -2.865 1.00 0.00 O ATOM 0 H GLU A 30 -5.408 -5.750 0.420 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.434 -4.046 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.768 -7.006 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.459 -6.262 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.177 -5.571 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.485 -6.314 -1.731 1.00 0.00 H new ATOM 476 N GLU A 31 -8.523 -4.923 0.731 1.00 0.00 N ATOM 477 CA GLU A 31 -9.830 -4.664 1.363 1.00 0.00 C ATOM 478 C GLU A 31 -9.959 -3.157 1.643 1.00 0.00 C ATOM 479 O GLU A 31 -11.011 -2.548 1.427 1.00 0.00 O ATOM 480 CB GLU A 31 -9.915 -5.501 2.677 1.00 0.00 C ATOM 481 CG GLU A 31 -11.134 -5.267 3.585 1.00 0.00 C ATOM 482 CD GLU A 31 -12.485 -5.582 2.927 1.00 0.00 C ATOM 483 OE1 GLU A 31 -12.745 -6.762 2.621 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.297 -4.655 2.741 1.00 0.00 O ATOM 0 H GLU A 31 -7.876 -5.421 1.342 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.651 -4.958 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.894 -6.557 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.016 -5.304 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.028 -5.880 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.136 -4.226 3.910 1.00 0.00 H new ATOM 491 N LEU A 32 -8.835 -2.581 2.096 1.00 0.00 N ATOM 492 CA LEU A 32 -8.691 -1.148 2.350 1.00 0.00 C ATOM 493 C LEU A 32 -8.855 -0.333 1.064 1.00 0.00 C ATOM 494 O LEU A 32 -9.564 0.639 1.075 1.00 0.00 O ATOM 495 CB LEU A 32 -7.311 -0.849 3.011 1.00 0.00 C ATOM 496 CG LEU A 32 -7.316 -0.657 4.550 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.888 -0.719 5.128 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.019 0.673 4.928 1.00 0.00 C ATOM 0 H LEU A 32 -7.988 -3.112 2.298 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.483 -0.850 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.631 -1.666 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.901 0.052 2.555 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.880 -1.478 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.927 -0.581 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.446 -1.689 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.281 0.069 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.014 0.792 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.490 1.508 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.048 0.655 4.570 1.00 0.00 H new ATOM 510 N VAL A 33 -8.175 -0.731 -0.025 1.00 0.00 N ATOM 511 CA VAL A 33 -8.216 0.010 -1.308 1.00 0.00 C ATOM 512 C VAL A 33 -9.645 0.045 -1.894 1.00 0.00 C ATOM 513 O VAL A 33 -10.158 1.120 -2.230 1.00 0.00 O ATOM 514 CB VAL A 33 -7.205 -0.602 -2.365 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.339 0.055 -3.759 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.748 -0.490 -1.868 1.00 0.00 C ATOM 0 H VAL A 33 -7.587 -1.564 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.908 1.034 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.467 -1.655 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.625 -0.400 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.351 -0.095 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.136 1.123 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.076 -0.917 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.497 0.559 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.641 -1.033 -0.929 1.00 0.00 H new ATOM 526 N GLU A 34 -10.270 -1.139 -2.003 1.00 0.00 N ATOM 527 CA GLU A 34 -11.595 -1.291 -2.635 1.00 0.00 C ATOM 528 C GLU A 34 -12.715 -0.511 -1.901 1.00 0.00 C ATOM 529 O GLU A 34 -13.630 0.009 -2.550 1.00 0.00 O ATOM 530 CB GLU A 34 -11.968 -2.791 -2.772 1.00 0.00 C ATOM 531 CG GLU A 34 -12.177 -3.541 -1.443 1.00 0.00 C ATOM 532 CD GLU A 34 -12.489 -5.032 -1.635 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.665 -5.377 -1.857 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.559 -5.863 -1.569 1.00 0.00 O ATOM 0 H GLU A 34 -9.875 -2.014 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.515 -0.851 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.881 -2.869 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.181 -3.294 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.281 -3.439 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.994 -3.073 -0.893 1.00 0.00 H new ATOM 541 N THR A 35 -12.651 -0.432 -0.554 1.00 0.00 N ATOM 542 CA THR A 35 -13.679 0.270 0.251 1.00 0.00 C ATOM 543 C THR A 35 -13.270 1.723 0.580 1.00 0.00 C ATOM 544 O THR A 35 -14.122 2.612 0.670 1.00 0.00 O ATOM 545 CB THR A 35 -13.956 -0.502 1.579 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.744 -0.606 2.344 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.517 -1.909 1.318 1.00 0.00 C ATOM 0 H THR A 35 -11.900 -0.844 -0.000 1.00 0.00 H new ATOM 0 HA THR A 35 -14.585 0.302 -0.354 1.00 0.00 H new ATOM 0 HB THR A 35 -14.705 0.061 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.132 -1.231 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.696 -2.412 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.454 -1.831 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.799 -2.484 0.733 1.00 0.00 H new ATOM 555 N ASP A 36 -11.957 1.940 0.748 1.00 0.00 N ATOM 556 CA ASP A 36 -11.363 3.214 1.226 1.00 0.00 C ATOM 557 C ASP A 36 -10.140 3.566 0.347 1.00 0.00 C ATOM 558 O ASP A 36 -8.986 3.390 0.781 1.00 0.00 O ATOM 559 CB ASP A 36 -10.919 3.106 2.723 1.00 0.00 C ATOM 560 CG ASP A 36 -12.079 2.983 3.715 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.679 1.900 3.814 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.398 3.971 4.407 1.00 0.00 O ATOM 0 H ASP A 36 -11.257 1.224 0.553 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.118 3.997 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.267 2.240 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.328 3.985 2.979 1.00 0.00 H new ATOM 567 N PRO A 37 -10.354 4.047 -0.914 1.00 0.00 N ATOM 568 CA PRO A 37 -9.241 4.408 -1.817 1.00 0.00 C ATOM 569 C PRO A 37 -8.551 5.720 -1.395 1.00 0.00 C ATOM 570 O PRO A 37 -7.542 6.103 -1.981 1.00 0.00 O ATOM 571 CB PRO A 37 -9.935 4.535 -3.194 1.00 0.00 C ATOM 572 CG PRO A 37 -11.325 4.978 -2.863 1.00 0.00 C ATOM 573 CD PRO A 37 -11.677 4.281 -1.563 1.00 0.00 C ATOM 0 HA PRO A 37 -8.436 3.673 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.427 5.259 -3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.936 3.585 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.375 6.061 -2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.022 4.705 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.324 4.899 -0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.206 3.345 -1.742 1.00 0.00 H new ATOM 581 N ASP A 38 -9.109 6.386 -0.372 1.00 0.00 N ATOM 582 CA ASP A 38 -8.552 7.623 0.192 1.00 0.00 C ATOM 583 C ASP A 38 -7.375 7.303 1.135 1.00 0.00 C ATOM 584 O ASP A 38 -6.504 8.154 1.340 1.00 0.00 O ATOM 585 CB ASP A 38 -9.653 8.417 0.955 1.00 0.00 C ATOM 586 CG ASP A 38 -10.071 7.753 2.280 1.00 0.00 C ATOM 587 OD1 ASP A 38 -10.703 6.676 2.243 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.746 8.293 3.359 1.00 0.00 O ATOM 0 H ASP A 38 -9.965 6.078 0.089 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.183 8.239 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.290 9.424 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.529 8.518 0.314 1.00 0.00 H new ATOM 593 N TYR A 39 -7.385 6.082 1.736 1.00 0.00 N ATOM 594 CA TYR A 39 -6.347 5.656 2.689 1.00 0.00 C ATOM 595 C TYR A 39 -5.017 5.431 1.939 1.00 0.00 C ATOM 596 O TYR A 39 -4.785 4.370 1.345 1.00 0.00 O ATOM 597 CB TYR A 39 -6.774 4.380 3.483 1.00 0.00 C ATOM 598 CG TYR A 39 -6.087 4.256 4.862 1.00 0.00 C ATOM 599 CD1 TYR A 39 -4.845 3.638 5.020 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.676 4.796 6.003 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.238 3.549 6.256 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.069 4.710 7.238 1.00 0.00 C ATOM 603 CZ TYR A 39 -4.857 4.090 7.362 1.00 0.00 C ATOM 604 OH TYR A 39 -4.264 4.004 8.603 1.00 0.00 O ATOM 0 H TYR A 39 -8.107 5.381 1.570 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.210 6.448 3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.855 4.394 3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.541 3.496 2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.349 3.221 4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.631 5.294 5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.282 3.057 6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.551 5.132 8.107 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.652 3.238 8.621 1.00 0.00 H new ATOM 614 N VAL A 40 -4.178 6.467 1.972 1.00 0.00 N ATOM 615 CA VAL A 40 -2.915 6.539 1.218 1.00 0.00 C ATOM 616 C VAL A 40 -1.875 5.526 1.751 1.00 0.00 C ATOM 617 O VAL A 40 -1.115 4.923 0.973 1.00 0.00 O ATOM 618 CB VAL A 40 -2.324 7.989 1.294 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.090 8.135 0.395 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.396 9.046 0.940 1.00 0.00 C ATOM 0 H VAL A 40 -4.356 7.299 2.534 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.135 6.286 0.181 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.008 8.163 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.704 9.151 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.322 7.430 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.366 7.927 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.958 10.042 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.760 8.871 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.227 8.971 1.642 1.00 0.00 H new ATOM 630 N GLY A 41 -1.892 5.333 3.086 1.00 0.00 N ATOM 631 CA GLY A 41 -0.939 4.460 3.783 1.00 0.00 C ATOM 632 C GLY A 41 -1.040 3.008 3.347 1.00 0.00 C ATOM 633 O GLY A 41 -0.051 2.265 3.392 1.00 0.00 O ATOM 0 H GLY A 41 -2.568 5.780 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.074 4.819 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.113 4.525 4.857 1.00 0.00 H new ATOM 637 N THR A 42 -2.250 2.619 2.914 1.00 0.00 N ATOM 638 CA THR A 42 -2.521 1.305 2.340 1.00 0.00 C ATOM 639 C THR A 42 -1.636 1.046 1.112 1.00 0.00 C ATOM 640 O THR A 42 -0.910 0.059 1.078 1.00 0.00 O ATOM 641 CB THR A 42 -4.005 1.188 1.891 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.872 1.454 2.991 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.302 -0.199 1.327 1.00 0.00 C ATOM 0 H THR A 42 -3.073 3.220 2.956 1.00 0.00 H new ATOM 0 HA THR A 42 -2.306 0.571 3.117 1.00 0.00 H new ATOM 0 HB THR A 42 -4.178 1.924 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.769 1.664 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.347 -0.251 1.021 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.662 -0.386 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.110 -0.952 2.092 1.00 0.00 H new ATOM 651 N TYR A 43 -1.708 1.978 0.140 1.00 0.00 N ATOM 652 CA TYR A 43 -1.081 1.836 -1.186 1.00 0.00 C ATOM 653 C TYR A 43 0.425 1.566 -1.087 1.00 0.00 C ATOM 654 O TYR A 43 0.963 0.725 -1.820 1.00 0.00 O ATOM 655 CB TYR A 43 -1.336 3.098 -2.040 1.00 0.00 C ATOM 656 CG TYR A 43 -2.805 3.288 -2.460 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.295 2.704 -3.631 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.685 4.065 -1.710 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.593 2.892 -4.037 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.991 4.244 -2.116 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.432 3.659 -3.281 1.00 0.00 C ATOM 662 OH TYR A 43 -6.718 3.858 -3.701 1.00 0.00 O ATOM 0 H TYR A 43 -2.209 2.859 0.257 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.540 0.973 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.014 3.975 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.717 3.048 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.638 2.091 -4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.340 4.533 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.948 2.436 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.666 4.842 -1.521 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.061 4.693 -3.319 1.00 0.00 H new ATOM 672 N TYR A 44 1.081 2.321 -0.201 1.00 0.00 N ATOM 673 CA TYR A 44 2.498 2.142 0.116 1.00 0.00 C ATOM 674 C TYR A 44 2.808 0.692 0.542 1.00 0.00 C ATOM 675 O TYR A 44 3.486 -0.026 -0.182 1.00 0.00 O ATOM 676 CB TYR A 44 2.899 3.160 1.213 1.00 0.00 C ATOM 677 CG TYR A 44 4.406 3.227 1.495 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.303 3.616 0.496 1.00 0.00 C ATOM 679 CD2 TYR A 44 4.931 2.909 2.750 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.657 3.686 0.744 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.284 2.983 2.996 1.00 0.00 C ATOM 682 CZ TYR A 44 7.139 3.368 1.992 1.00 0.00 C ATOM 683 OH TYR A 44 8.485 3.452 2.243 1.00 0.00 O ATOM 0 H TYR A 44 0.639 3.079 0.319 1.00 0.00 H new ATOM 0 HA TYR A 44 3.091 2.329 -0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.553 4.150 0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.380 2.904 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.929 3.866 -0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.264 2.600 3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.337 3.989 -0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.671 2.739 3.974 1.00 0.00 H new ATOM 0 HH TYR A 44 8.735 4.390 2.378 1.00 0.00 H new ATOM 693 N HIS A 45 2.242 0.270 1.686 1.00 0.00 N ATOM 694 CA HIS A 45 2.525 -1.056 2.303 1.00 0.00 C ATOM 695 C HIS A 45 2.048 -2.242 1.435 1.00 0.00 C ATOM 696 O HIS A 45 2.650 -3.320 1.474 1.00 0.00 O ATOM 697 CB HIS A 45 1.915 -1.132 3.724 1.00 0.00 C ATOM 698 CG HIS A 45 2.575 -0.201 4.700 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.420 -0.630 5.691 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.540 1.145 4.802 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.875 0.406 6.358 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.357 1.497 5.839 1.00 0.00 N ATOM 0 H HIS A 45 1.575 0.831 2.215 1.00 0.00 H new ATOM 0 HA HIS A 45 3.609 -1.145 2.374 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.852 -0.897 3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.997 -2.154 4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.971 1.819 4.179 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.560 0.368 7.192 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.536 2.449 6.158 1.00 0.00 H new ATOM 711 N LEU A 46 0.986 -2.021 0.647 1.00 0.00 N ATOM 712 CA LEU A 46 0.448 -3.034 -0.283 1.00 0.00 C ATOM 713 C LEU A 46 1.416 -3.230 -1.459 1.00 0.00 C ATOM 714 O LEU A 46 1.675 -4.363 -1.876 1.00 0.00 O ATOM 715 CB LEU A 46 -0.963 -2.620 -0.791 1.00 0.00 C ATOM 716 CG LEU A 46 -1.662 -3.595 -1.803 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.764 -5.044 -1.255 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.055 -3.067 -2.217 1.00 0.00 C ATOM 0 H LEU A 46 0.474 -1.139 0.633 1.00 0.00 H new ATOM 0 HA LEU A 46 0.347 -3.981 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.615 -2.503 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.881 -1.641 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.029 -3.631 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.255 -5.678 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.764 -5.428 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.345 -5.044 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.514 -3.764 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.686 -2.973 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.948 -2.092 -2.692 1.00 0.00 H new ATOM 730 N GLY A 47 1.970 -2.106 -1.953 1.00 0.00 N ATOM 731 CA GLY A 47 2.918 -2.121 -3.065 1.00 0.00 C ATOM 732 C GLY A 47 4.268 -2.696 -2.657 1.00 0.00 C ATOM 733 O GLY A 47 4.896 -3.427 -3.428 1.00 0.00 O ATOM 0 H GLY A 47 1.770 -1.174 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.506 -2.710 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.054 -1.106 -3.439 1.00 0.00 H new ATOM 737 N LYS A 48 4.706 -2.363 -1.419 1.00 0.00 N ATOM 738 CA LYS A 48 5.962 -2.876 -0.833 1.00 0.00 C ATOM 739 C LYS A 48 5.888 -4.403 -0.687 1.00 0.00 C ATOM 740 O LYS A 48 6.882 -5.115 -0.865 1.00 0.00 O ATOM 741 CB LYS A 48 6.244 -2.237 0.561 1.00 0.00 C ATOM 742 CG LYS A 48 6.459 -0.698 0.588 1.00 0.00 C ATOM 743 CD LYS A 48 7.633 -0.167 -0.282 1.00 0.00 C ATOM 744 CE LYS A 48 9.034 -0.680 0.126 1.00 0.00 C ATOM 745 NZ LYS A 48 9.276 -2.099 -0.244 1.00 0.00 N ATOM 0 H LYS A 48 4.197 -1.731 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 48 6.776 -2.607 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.410 -2.477 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.130 -2.713 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.539 -0.215 0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.628 -0.391 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.450 -0.443 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.634 0.922 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.793 -0.055 -0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.154 -0.568 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.296 -2.254 -0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.928 -2.720 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.773 -2.318 -1.128 1.00 0.00 H new ATOM 759 N LEU A 49 4.684 -4.884 -0.352 1.00 0.00 N ATOM 760 CA LEU A 49 4.404 -6.311 -0.225 1.00 0.00 C ATOM 761 C LEU A 49 4.404 -6.984 -1.612 1.00 0.00 C ATOM 762 O LEU A 49 4.921 -8.088 -1.756 1.00 0.00 O ATOM 763 CB LEU A 49 3.066 -6.524 0.522 1.00 0.00 C ATOM 764 CG LEU A 49 2.688 -8.003 0.856 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.851 -8.746 1.562 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.394 -8.056 1.708 1.00 0.00 C ATOM 0 H LEU A 49 3.878 -4.289 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 49 5.191 -6.782 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.101 -5.961 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.266 -6.094 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 49 2.501 -8.518 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.550 -9.771 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.726 -8.754 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.096 -8.236 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.147 -9.094 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.549 -7.512 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.574 -7.599 1.154 1.00 0.00 H new ATOM 778 N TYR A 50 3.841 -6.289 -2.626 1.00 0.00 N ATOM 779 CA TYR A 50 3.873 -6.744 -4.032 1.00 0.00 C ATOM 780 C TYR A 50 5.325 -6.897 -4.541 1.00 0.00 C ATOM 781 O TYR A 50 5.617 -7.821 -5.294 1.00 0.00 O ATOM 782 CB TYR A 50 3.076 -5.783 -4.962 1.00 0.00 C ATOM 783 CG TYR A 50 1.544 -5.908 -4.890 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.929 -7.160 -4.795 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.712 -4.781 -4.949 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.443 -7.279 -4.756 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.661 -4.907 -4.915 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.230 -6.155 -4.815 1.00 0.00 C ATOM 789 OH TYR A 50 -2.599 -6.281 -4.757 1.00 0.00 O ATOM 0 H TYR A 50 3.355 -5.402 -2.493 1.00 0.00 H new ATOM 0 HA TYR A 50 3.393 -7.722 -4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.351 -4.757 -4.716 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.389 -5.959 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.540 -8.049 -4.751 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.154 -3.798 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.899 -8.255 -4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.287 -4.029 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.012 -5.394 -4.810 1.00 0.00 H new ATOM 799 N GLU A 51 6.230 -6.003 -4.106 1.00 0.00 N ATOM 800 CA GLU A 51 7.666 -6.077 -4.465 1.00 0.00 C ATOM 801 C GLU A 51 8.321 -7.358 -3.895 1.00 0.00 C ATOM 802 O GLU A 51 9.196 -7.953 -4.533 1.00 0.00 O ATOM 803 CB GLU A 51 8.420 -4.814 -3.986 1.00 0.00 C ATOM 804 CG GLU A 51 7.966 -3.506 -4.665 1.00 0.00 C ATOM 805 CD GLU A 51 8.772 -2.287 -4.193 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.500 -1.777 -3.092 1.00 0.00 O ATOM 807 OE2 GLU A 51 9.715 -1.868 -4.888 1.00 0.00 O ATOM 0 H GLU A 51 5.995 -5.215 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 51 7.735 -6.123 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.289 -4.714 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.486 -4.952 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.067 -3.608 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.909 -3.341 -4.457 1.00 0.00 H new ATOM 814 N ARG A 52 7.873 -7.783 -2.697 1.00 0.00 N ATOM 815 CA ARG A 52 8.299 -9.064 -2.086 1.00 0.00 C ATOM 816 C ARG A 52 7.761 -10.258 -2.896 1.00 0.00 C ATOM 817 O ARG A 52 8.458 -11.257 -3.087 1.00 0.00 O ATOM 818 CB ARG A 52 7.792 -9.172 -0.625 1.00 0.00 C ATOM 819 CG ARG A 52 8.350 -8.109 0.340 1.00 0.00 C ATOM 820 CD ARG A 52 7.741 -8.235 1.746 1.00 0.00 C ATOM 821 NE ARG A 52 8.325 -7.289 2.711 1.00 0.00 N ATOM 822 CZ ARG A 52 7.764 -6.138 3.116 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.647 -5.681 2.554 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.347 -5.439 4.074 1.00 0.00 N ATOM 0 H ARG A 52 7.211 -7.255 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 52 9.389 -9.086 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.704 -9.102 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.047 -10.159 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.434 -8.209 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.145 -7.115 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.666 -8.068 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.886 -9.252 2.109 1.00 0.00 H new ATOM 0 HE ARG A 52 9.234 -7.528 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.202 -6.207 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.236 -4.805 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.212 -5.775 4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.932 -4.563 4.391 1.00 0.00 H new ATOM 838 N LEU A 53 6.518 -10.116 -3.382 1.00 0.00 N ATOM 839 CA LEU A 53 5.800 -11.178 -4.116 1.00 0.00 C ATOM 840 C LEU A 53 6.176 -11.225 -5.615 1.00 0.00 C ATOM 841 O LEU A 53 5.561 -11.982 -6.372 1.00 0.00 O ATOM 842 CB LEU A 53 4.275 -10.954 -3.957 1.00 0.00 C ATOM 843 CG LEU A 53 3.737 -10.921 -2.494 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.243 -10.540 -2.465 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.003 -12.258 -1.756 1.00 0.00 C ATOM 0 H LEU A 53 5.977 -9.258 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 53 6.094 -12.137 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.014 -10.012 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.754 -11.745 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 53 4.286 -10.148 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.892 -10.524 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.110 -9.553 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.669 -11.273 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.614 -12.196 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.507 -13.071 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.076 -12.448 -1.723 1.00 0.00 H new ATOM 857 N ASP A 54 7.181 -10.409 -6.030 1.00 0.00 N ATOM 858 CA ASP A 54 7.615 -10.262 -7.448 1.00 0.00 C ATOM 859 C ASP A 54 6.480 -9.736 -8.370 1.00 0.00 C ATOM 860 O ASP A 54 6.576 -9.801 -9.600 1.00 0.00 O ATOM 861 CB ASP A 54 8.229 -11.582 -7.994 1.00 0.00 C ATOM 862 CG ASP A 54 9.501 -12.012 -7.241 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.612 -11.579 -7.621 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.402 -12.786 -6.264 1.00 0.00 O ATOM 0 H ASP A 54 7.718 -9.829 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 54 8.397 -9.502 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.487 -12.377 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.464 -11.457 -9.051 1.00 0.00 H new ATOM 869 N ARG A 55 5.439 -9.161 -7.745 1.00 0.00 N ATOM 870 CA ARG A 55 4.286 -8.558 -8.431 1.00 0.00 C ATOM 871 C ARG A 55 4.582 -7.069 -8.676 1.00 0.00 C ATOM 872 O ARG A 55 3.915 -6.184 -8.130 1.00 0.00 O ATOM 873 CB ARG A 55 3.000 -8.747 -7.571 1.00 0.00 C ATOM 874 CG ARG A 55 2.609 -10.210 -7.281 1.00 0.00 C ATOM 875 CD ARG A 55 2.397 -11.032 -8.563 1.00 0.00 C ATOM 876 NE ARG A 55 1.434 -10.395 -9.478 1.00 0.00 N ATOM 877 CZ ARG A 55 1.101 -10.840 -10.694 1.00 0.00 C ATOM 878 NH1 ARG A 55 1.558 -12.000 -11.152 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.283 -10.122 -11.440 1.00 0.00 N ATOM 0 H ARG A 55 5.375 -9.102 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 55 4.117 -9.046 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.139 -8.231 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.168 -8.260 -8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.388 -10.678 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.695 -10.227 -6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.352 -11.159 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.041 -12.028 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 55 0.982 -9.540 -9.156 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.175 -12.569 -10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.292 -12.321 -12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.087 -9.239 -11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.021 -10.450 -12.370 1.00 0.00 H new ATOM 893 N THR A 56 5.624 -6.806 -9.477 1.00 0.00 N ATOM 894 CA THR A 56 6.136 -5.452 -9.721 1.00 0.00 C ATOM 895 C THR A 56 5.112 -4.574 -10.471 1.00 0.00 C ATOM 896 O THR A 56 4.973 -3.393 -10.162 1.00 0.00 O ATOM 897 CB THR A 56 7.473 -5.529 -10.515 1.00 0.00 C ATOM 898 OG1 THR A 56 8.348 -6.478 -9.890 1.00 0.00 O ATOM 899 CG2 THR A 56 8.187 -4.171 -10.590 1.00 0.00 C ATOM 0 H THR A 56 6.138 -7.532 -9.976 1.00 0.00 H new ATOM 0 HA THR A 56 6.315 -4.982 -8.754 1.00 0.00 H new ATOM 0 HB THR A 56 7.228 -5.837 -11.531 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.189 -6.527 -10.391 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.114 -4.278 -11.154 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.541 -3.447 -11.087 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.413 -3.823 -9.582 1.00 0.00 H new ATOM 907 N ASP A 57 4.373 -5.181 -11.417 1.00 0.00 N ATOM 908 CA ASP A 57 3.299 -4.492 -12.169 1.00 0.00 C ATOM 909 C ASP A 57 2.219 -3.968 -11.222 1.00 0.00 C ATOM 910 O ASP A 57 1.745 -2.831 -11.355 1.00 0.00 O ATOM 911 CB ASP A 57 2.651 -5.438 -13.218 1.00 0.00 C ATOM 912 CG ASP A 57 3.509 -5.611 -14.471 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.354 -4.807 -15.409 1.00 0.00 O ATOM 914 OD2 ASP A 57 4.338 -6.540 -14.522 1.00 0.00 O ATOM 0 H ASP A 57 4.499 -6.157 -11.684 1.00 0.00 H new ATOM 0 HA ASP A 57 3.757 -3.651 -12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.479 -6.414 -12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.676 -5.043 -13.503 1.00 0.00 H new ATOM 919 N ASP A 58 1.856 -4.821 -10.265 1.00 0.00 N ATOM 920 CA ASP A 58 0.847 -4.523 -9.250 1.00 0.00 C ATOM 921 C ASP A 58 1.348 -3.421 -8.316 1.00 0.00 C ATOM 922 O ASP A 58 0.591 -2.533 -7.957 1.00 0.00 O ATOM 923 CB ASP A 58 0.503 -5.809 -8.465 1.00 0.00 C ATOM 924 CG ASP A 58 -0.022 -6.925 -9.380 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.798 -7.589 -10.048 1.00 0.00 O ATOM 926 OD2 ASP A 58 -1.251 -7.107 -9.482 1.00 0.00 O ATOM 0 H ASP A 58 2.261 -5.753 -10.172 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.061 -4.163 -9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.391 -6.160 -7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.246 -5.580 -7.707 1.00 0.00 H new ATOM 931 N ALA A 59 2.649 -3.476 -7.968 1.00 0.00 N ATOM 932 CA ALA A 59 3.298 -2.473 -7.106 1.00 0.00 C ATOM 933 C ALA A 59 3.194 -1.069 -7.733 1.00 0.00 C ATOM 934 O ALA A 59 2.656 -0.152 -7.111 1.00 0.00 O ATOM 935 CB ALA A 59 4.768 -2.858 -6.835 1.00 0.00 C ATOM 0 H ALA A 59 3.278 -4.217 -8.277 1.00 0.00 H new ATOM 0 HA ALA A 59 2.777 -2.450 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.230 -2.105 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.805 -3.827 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.309 -2.914 -7.779 1.00 0.00 H new ATOM 941 N ILE A 60 3.655 -0.944 -8.999 1.00 0.00 N ATOM 942 CA ILE A 60 3.692 0.342 -9.737 1.00 0.00 C ATOM 943 C ILE A 60 2.273 0.925 -9.916 1.00 0.00 C ATOM 944 O ILE A 60 2.072 2.135 -9.772 1.00 0.00 O ATOM 945 CB ILE A 60 4.397 0.197 -11.152 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.813 -0.463 -11.023 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.507 1.564 -11.885 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.770 0.249 -10.081 1.00 0.00 C ATOM 0 H ILE A 60 4.012 -1.732 -9.539 1.00 0.00 H new ATOM 0 HA ILE A 60 4.284 1.030 -9.133 1.00 0.00 H new ATOM 0 HB ILE A 60 3.765 -0.458 -11.751 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.689 -1.491 -10.682 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.268 -0.508 -12.013 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.995 1.422 -12.849 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.509 1.975 -12.040 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.094 2.255 -11.280 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.722 -0.282 -10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.932 1.269 -10.429 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.344 0.272 -9.078 1.00 0.00 H new ATOM 960 N ASP A 61 1.300 0.036 -10.211 1.00 0.00 N ATOM 961 CA ASP A 61 -0.128 0.406 -10.380 1.00 0.00 C ATOM 962 C ASP A 61 -0.717 0.964 -9.066 1.00 0.00 C ATOM 963 O ASP A 61 -1.422 1.983 -9.063 1.00 0.00 O ATOM 964 CB ASP A 61 -0.948 -0.829 -10.858 1.00 0.00 C ATOM 965 CG ASP A 61 -2.455 -0.538 -11.054 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.808 0.213 -11.989 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.291 -1.045 -10.263 1.00 0.00 O ATOM 0 H ASP A 61 1.479 -0.960 -10.339 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.190 1.189 -11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.531 -1.188 -11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.834 -1.633 -10.131 1.00 0.00 H new ATOM 972 N THR A 62 -0.399 0.280 -7.956 1.00 0.00 N ATOM 973 CA THR A 62 -0.871 0.640 -6.608 1.00 0.00 C ATOM 974 C THR A 62 -0.260 1.989 -6.152 1.00 0.00 C ATOM 975 O THR A 62 -0.947 2.819 -5.550 1.00 0.00 O ATOM 976 CB THR A 62 -0.530 -0.507 -5.590 1.00 0.00 C ATOM 977 OG1 THR A 62 -1.122 -1.738 -6.041 1.00 0.00 O ATOM 978 CG2 THR A 62 -1.040 -0.228 -4.175 1.00 0.00 C ATOM 0 H THR A 62 0.199 -0.547 -7.968 1.00 0.00 H new ATOM 0 HA THR A 62 -1.954 0.761 -6.639 1.00 0.00 H new ATOM 0 HB THR A 62 0.557 -0.571 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.547 -2.147 -6.721 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.772 -1.058 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.588 0.690 -3.800 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.124 -0.117 -4.194 1.00 0.00 H new ATOM 986 N TYR A 63 1.027 2.209 -6.476 1.00 0.00 N ATOM 987 CA TYR A 63 1.728 3.464 -6.146 1.00 0.00 C ATOM 988 C TYR A 63 1.157 4.638 -6.953 1.00 0.00 C ATOM 989 O TYR A 63 0.969 5.712 -6.401 1.00 0.00 O ATOM 990 CB TYR A 63 3.251 3.352 -6.399 1.00 0.00 C ATOM 991 CG TYR A 63 3.991 2.368 -5.482 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.716 2.302 -4.115 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.985 1.523 -5.982 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.400 1.437 -3.292 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.664 0.656 -5.162 1.00 0.00 C ATOM 996 CZ TYR A 63 5.367 0.619 -3.823 1.00 0.00 C ATOM 997 OH TYR A 63 6.043 -0.236 -3.007 1.00 0.00 O ATOM 0 H TYR A 63 1.606 1.529 -6.969 1.00 0.00 H new ATOM 0 HA TYR A 63 1.569 3.648 -5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.411 3.051 -7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.697 4.340 -6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.953 2.941 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.224 1.552 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.178 1.402 -2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.426 0.008 -5.568 1.00 0.00 H new ATOM 0 HH TYR A 63 6.870 -0.523 -3.447 1.00 0.00 H new ATOM 1007 N ALA A 64 0.913 4.413 -8.262 1.00 0.00 N ATOM 1008 CA ALA A 64 0.345 5.422 -9.185 1.00 0.00 C ATOM 1009 C ALA A 64 -1.002 5.974 -8.678 1.00 0.00 C ATOM 1010 O ALA A 64 -1.213 7.197 -8.648 1.00 0.00 O ATOM 1011 CB ALA A 64 0.175 4.818 -10.590 1.00 0.00 C ATOM 0 H ALA A 64 1.106 3.519 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 64 1.045 6.256 -9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.243 5.569 -11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.145 4.495 -10.967 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.498 3.962 -10.539 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.902 5.054 -8.289 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.216 5.404 -7.708 1.00 0.00 C ATOM 1019 C GLN A 65 -3.007 6.104 -6.349 1.00 0.00 C ATOM 1020 O GLN A 65 -3.715 7.057 -6.004 1.00 0.00 O ATOM 1021 CB GLN A 65 -4.118 4.124 -7.561 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.569 4.219 -8.132 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.576 5.119 -7.365 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.739 4.767 -7.233 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.207 6.328 -6.988 1.00 0.00 N ATOM 0 H GLN A 65 -1.743 4.050 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.734 6.091 -8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.612 3.293 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.185 3.874 -6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.505 4.582 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.982 3.211 -8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.237 6.623 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.892 6.968 -6.587 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.007 5.604 -5.606 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.614 6.178 -4.328 1.00 0.00 C ATOM 1036 C GLY A 66 -1.223 7.647 -4.434 1.00 0.00 C ATOM 1037 O GLY A 66 -1.572 8.428 -3.570 1.00 0.00 O ATOM 0 H GLY A 66 -1.455 4.792 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.437 6.076 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.775 5.612 -3.924 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.504 7.999 -5.513 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.037 9.377 -5.795 1.00 0.00 C ATOM 1043 C ILE A 67 -1.223 10.354 -5.884 1.00 0.00 C ATOM 1044 O ILE A 67 -1.182 11.449 -5.304 1.00 0.00 O ATOM 1045 CB ILE A 67 0.799 9.414 -7.140 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.138 8.623 -6.984 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.068 10.860 -7.637 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.942 8.490 -8.266 1.00 0.00 C ATOM 0 H ILE A 67 -0.224 7.328 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 67 0.604 9.689 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 67 0.190 8.927 -7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.753 9.119 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.915 7.626 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.644 10.826 -8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.119 11.364 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.630 11.407 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.854 7.928 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.349 7.965 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.201 9.481 -8.638 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.285 9.910 -6.584 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.495 10.716 -6.840 1.00 0.00 C ATOM 1062 C GLU A 68 -4.165 11.117 -5.518 1.00 0.00 C ATOM 1063 O GLU A 68 -4.530 12.278 -5.308 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.492 9.918 -7.715 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.907 9.425 -9.050 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.930 8.671 -9.914 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.628 9.314 -10.729 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.040 7.436 -9.788 1.00 0.00 O ATOM 0 H GLU A 68 -2.328 8.976 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.200 11.621 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.848 9.058 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.359 10.545 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.526 10.279 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.058 8.771 -8.849 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.297 10.128 -4.630 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.934 10.303 -3.320 1.00 0.00 C ATOM 1077 C VAL A 69 -3.947 10.883 -2.278 1.00 0.00 C ATOM 1078 O VAL A 69 -4.362 11.405 -1.263 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.597 8.967 -2.822 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.628 8.455 -3.867 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.550 7.879 -2.495 1.00 0.00 C ATOM 0 H VAL A 69 -3.964 9.179 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.734 11.034 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.119 9.187 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.079 7.529 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.405 9.206 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.124 8.270 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.057 6.976 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.968 7.654 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.885 8.238 -1.710 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.635 10.766 -2.529 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.587 11.278 -1.617 1.00 0.00 C ATOM 1093 C ALA A 70 -1.539 12.809 -1.637 1.00 0.00 C ATOM 1094 O ALA A 70 -1.461 13.458 -0.594 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.216 10.709 -1.989 1.00 0.00 C ATOM 0 H ALA A 70 -2.265 10.316 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.841 10.952 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.538 11.099 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.242 9.622 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.034 11.000 -3.009 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.581 13.367 -2.853 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.544 14.821 -3.067 1.00 0.00 C ATOM 1103 C ARG A 71 -2.872 15.493 -2.651 1.00 0.00 C ATOM 1104 O ARG A 71 -2.870 16.663 -2.268 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.174 15.153 -4.543 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.101 14.527 -5.605 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.620 14.778 -7.046 1.00 0.00 C ATOM 1108 NE ARG A 71 -1.594 16.213 -7.374 1.00 0.00 N ATOM 1109 CZ ARG A 71 -0.925 16.763 -8.395 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -0.143 16.038 -9.184 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -1.011 18.063 -8.599 1.00 0.00 N ATOM 0 H ARG A 71 -1.641 12.826 -3.715 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.765 15.232 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.182 16.236 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.154 14.818 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.169 13.453 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.106 14.933 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.622 14.358 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.276 14.258 -7.744 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.130 16.840 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.040 15.037 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.356 16.482 -9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.583 18.639 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.505 18.492 -9.374 1.00 0.00 H new ATOM 1125 N GLU A 72 -4.009 14.767 -2.756 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.332 15.312 -2.351 1.00 0.00 C ATOM 1127 C GLU A 72 -5.717 14.994 -0.886 1.00 0.00 C ATOM 1128 O GLU A 72 -5.966 15.910 -0.090 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.430 14.807 -3.318 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.253 15.307 -4.765 1.00 0.00 C ATOM 1131 CD GLU A 72 -7.441 14.965 -5.668 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -8.397 15.765 -5.748 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -7.433 13.893 -6.294 1.00 0.00 O ATOM 0 H GLU A 72 -4.041 13.812 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.249 16.397 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.431 13.717 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.404 15.127 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.111 16.388 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.347 14.871 -5.186 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.743 13.702 -0.535 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.243 13.220 0.779 1.00 0.00 C ATOM 1142 C GLU A 73 -5.137 13.273 1.851 1.00 0.00 C ATOM 1143 O GLU A 73 -5.340 13.840 2.933 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.789 11.762 0.660 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.769 11.524 -0.511 1.00 0.00 C ATOM 1146 CD GLU A 73 -9.032 12.403 -0.457 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.918 12.134 0.376 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.146 13.368 -1.249 1.00 0.00 O ATOM 0 H GLU A 73 -5.420 12.953 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.054 13.882 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.944 11.082 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.290 11.501 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.249 11.710 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.068 10.476 -0.514 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.963 12.688 1.527 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.839 12.594 2.471 1.00 0.00 C ATOM 1157 C GLY A 74 -1.951 13.831 2.440 1.00 0.00 C ATOM 1158 O GLY A 74 -2.393 14.907 2.027 1.00 0.00 O ATOM 0 H GLY A 74 -3.774 12.274 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.226 12.453 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.241 11.714 2.233 1.00 0.00 H new ATOM 1162 N THR A 75 -0.696 13.693 2.895 1.00 0.00 N ATOM 1163 CA THR A 75 0.285 14.802 2.904 1.00 0.00 C ATOM 1164 C THR A 75 1.408 14.563 1.872 1.00 0.00 C ATOM 1165 O THR A 75 1.445 13.518 1.202 1.00 0.00 O ATOM 1166 CB THR A 75 0.911 14.994 4.331 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.677 13.840 4.692 1.00 0.00 O ATOM 1168 CG2 THR A 75 -0.155 15.249 5.413 1.00 0.00 C ATOM 0 H THR A 75 -0.329 12.817 3.266 1.00 0.00 H new ATOM 0 HA THR A 75 -0.253 15.710 2.632 1.00 0.00 H new ATOM 0 HB THR A 75 1.552 15.874 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.205 13.031 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.331 15.375 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.714 16.152 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.838 14.401 5.458 1.00 0.00 H new ATOM 1176 N GLN A 76 2.327 15.547 1.770 1.00 0.00 N ATOM 1177 CA GLN A 76 3.507 15.489 0.880 1.00 0.00 C ATOM 1178 C GLN A 76 4.468 14.352 1.301 1.00 0.00 C ATOM 1179 O GLN A 76 5.199 13.819 0.471 1.00 0.00 O ATOM 1180 CB GLN A 76 4.232 16.870 0.883 1.00 0.00 C ATOM 1181 CG GLN A 76 5.514 16.968 0.022 1.00 0.00 C ATOM 1182 CD GLN A 76 5.296 16.627 -1.460 1.00 0.00 C ATOM 1183 OE1 GLN A 76 5.451 15.479 -1.875 1.00 0.00 O ATOM 1184 NE2 GLN A 76 4.936 17.613 -2.269 1.00 0.00 N ATOM 0 H GLN A 76 2.270 16.412 2.308 1.00 0.00 H new ATOM 0 HA GLN A 76 3.173 15.269 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.528 17.628 0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.490 17.120 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.914 17.979 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.268 16.296 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.814 18.556 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.781 17.429 -3.260 1.00 0.00 H new ATOM 1193 N LYS A 77 4.445 13.994 2.604 1.00 0.00 N ATOM 1194 CA LYS A 77 5.217 12.856 3.143 1.00 0.00 C ATOM 1195 C LYS A 77 4.868 11.561 2.379 1.00 0.00 C ATOM 1196 O LYS A 77 5.755 10.857 1.886 1.00 0.00 O ATOM 1197 CB LYS A 77 4.925 12.677 4.658 1.00 0.00 C ATOM 1198 CG LYS A 77 5.634 11.461 5.310 1.00 0.00 C ATOM 1199 CD LYS A 77 5.267 11.281 6.798 1.00 0.00 C ATOM 1200 CE LYS A 77 5.948 10.052 7.423 1.00 0.00 C ATOM 1201 NZ LYS A 77 5.549 9.841 8.837 1.00 0.00 N ATOM 0 H LYS A 77 3.893 14.484 3.308 1.00 0.00 H new ATOM 0 HA LYS A 77 6.279 13.064 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.228 13.583 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.849 12.572 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.369 10.556 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.713 11.584 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.556 12.174 7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.186 11.182 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.696 9.165 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.030 10.172 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.034 9.002 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.813 10.675 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.520 9.699 8.890 1.00 0.00 H new ATOM 1215 N ASP A 78 3.557 11.310 2.242 1.00 0.00 N ATOM 1216 CA ASP A 78 3.025 10.087 1.614 1.00 0.00 C ATOM 1217 C ASP A 78 3.278 10.115 0.105 1.00 0.00 C ATOM 1218 O ASP A 78 3.658 9.103 -0.486 1.00 0.00 O ATOM 1219 CB ASP A 78 1.508 9.953 1.880 1.00 0.00 C ATOM 1220 CG ASP A 78 1.153 10.067 3.366 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.333 9.086 4.115 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.710 11.150 3.795 1.00 0.00 O ATOM 0 H ASP A 78 2.832 11.951 2.564 1.00 0.00 H new ATOM 0 HA ASP A 78 3.537 9.230 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.977 10.726 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.161 8.992 1.501 1.00 0.00 H new ATOM 1227 N LEU A 79 3.072 11.308 -0.484 1.00 0.00 N ATOM 1228 CA LEU A 79 3.253 11.560 -1.919 1.00 0.00 C ATOM 1229 C LEU A 79 4.692 11.234 -2.351 1.00 0.00 C ATOM 1230 O LEU A 79 4.901 10.511 -3.325 1.00 0.00 O ATOM 1231 CB LEU A 79 2.901 13.043 -2.232 1.00 0.00 C ATOM 1232 CG LEU A 79 2.972 13.481 -3.729 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.003 12.656 -4.601 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.702 14.997 -3.872 1.00 0.00 C ATOM 0 H LEU A 79 2.771 12.133 0.034 1.00 0.00 H new ATOM 0 HA LEU A 79 2.584 10.911 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.892 13.237 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.574 13.681 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 79 3.982 13.284 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.076 12.985 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.265 11.600 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.982 12.799 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.757 15.279 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.709 15.228 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.449 15.555 -3.308 1.00 0.00 H new ATOM 1246 N SER A 80 5.666 11.731 -1.568 1.00 0.00 N ATOM 1247 CA SER A 80 7.099 11.531 -1.830 1.00 0.00 C ATOM 1248 C SER A 80 7.490 10.049 -1.690 1.00 0.00 C ATOM 1249 O SER A 80 8.312 9.564 -2.454 1.00 0.00 O ATOM 1250 CB SER A 80 7.945 12.400 -0.879 1.00 0.00 C ATOM 1251 OG SER A 80 7.602 13.773 -0.986 1.00 0.00 O ATOM 0 H SER A 80 5.478 12.285 -0.732 1.00 0.00 H new ATOM 0 HA SER A 80 7.298 11.836 -2.857 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.798 12.066 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.002 12.269 -1.109 1.00 0.00 H new ATOM 0 HG SER A 80 6.769 13.941 -0.499 1.00 0.00 H new ATOM 1257 N GLU A 81 6.872 9.342 -0.716 1.00 0.00 N ATOM 1258 CA GLU A 81 7.139 7.912 -0.467 1.00 0.00 C ATOM 1259 C GLU A 81 6.677 7.025 -1.638 1.00 0.00 C ATOM 1260 O GLU A 81 7.373 6.092 -2.020 1.00 0.00 O ATOM 1261 CB GLU A 81 6.469 7.441 0.857 1.00 0.00 C ATOM 1262 CG GLU A 81 7.143 7.966 2.135 1.00 0.00 C ATOM 1263 CD GLU A 81 8.630 7.574 2.229 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.927 6.411 2.559 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.509 8.419 1.945 1.00 0.00 O ATOM 0 H GLU A 81 6.179 9.746 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 81 8.220 7.805 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.426 7.759 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.470 6.351 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.055 9.052 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.614 7.578 3.005 1.00 0.00 H new ATOM 1272 N LEU A 82 5.495 7.329 -2.181 1.00 0.00 N ATOM 1273 CA LEU A 82 4.871 6.543 -3.269 1.00 0.00 C ATOM 1274 C LEU A 82 5.576 6.770 -4.613 1.00 0.00 C ATOM 1275 O LEU A 82 5.783 5.820 -5.386 1.00 0.00 O ATOM 1276 CB LEU A 82 3.377 6.912 -3.356 1.00 0.00 C ATOM 1277 CG LEU A 82 2.540 6.475 -2.114 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.209 7.217 -2.048 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.315 4.949 -2.106 1.00 0.00 C ATOM 0 H LEU A 82 4.936 8.128 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 82 4.973 5.482 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.287 7.991 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.951 6.452 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 82 3.113 6.740 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.652 6.888 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.393 8.289 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.629 7.005 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.729 4.672 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.779 4.656 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.278 4.439 -2.074 1.00 0.00 H new ATOM 1291 N GLN A 83 5.957 8.034 -4.868 1.00 0.00 N ATOM 1292 CA GLN A 83 6.700 8.419 -6.079 1.00 0.00 C ATOM 1293 C GLN A 83 8.112 7.805 -6.041 1.00 0.00 C ATOM 1294 O GLN A 83 8.565 7.233 -7.033 1.00 0.00 O ATOM 1295 CB GLN A 83 6.762 9.967 -6.214 1.00 0.00 C ATOM 1296 CG GLN A 83 5.384 10.628 -6.451 1.00 0.00 C ATOM 1297 CD GLN A 83 5.406 12.158 -6.579 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.600 12.740 -7.307 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.288 12.822 -5.846 1.00 0.00 N ATOM 0 H GLN A 83 5.759 8.815 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 83 6.179 8.033 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.204 10.384 -5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.425 10.224 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.950 10.210 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.723 10.358 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.943 12.314 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.311 13.841 -5.876 1.00 0.00 H new ATOM 1308 N ASP A 84 8.763 7.895 -4.859 1.00 0.00 N ATOM 1309 CA ASP A 84 10.099 7.311 -4.612 1.00 0.00 C ATOM 1310 C ASP A 84 10.071 5.788 -4.797 1.00 0.00 C ATOM 1311 O ASP A 84 10.925 5.225 -5.477 1.00 0.00 O ATOM 1312 CB ASP A 84 10.605 7.652 -3.182 1.00 0.00 C ATOM 1313 CG ASP A 84 11.899 6.902 -2.779 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.983 7.247 -3.277 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.828 5.963 -1.969 1.00 0.00 O ATOM 0 H ASP A 84 8.374 8.376 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 84 10.785 7.746 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.783 8.725 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.820 7.415 -2.463 1.00 0.00 H new ATOM 1320 N ALA A 85 9.054 5.148 -4.192 1.00 0.00 N ATOM 1321 CA ALA A 85 8.937 3.683 -4.137 1.00 0.00 C ATOM 1322 C ALA A 85 8.799 3.080 -5.535 1.00 0.00 C ATOM 1323 O ALA A 85 9.450 2.078 -5.833 1.00 0.00 O ATOM 1324 CB ALA A 85 7.778 3.255 -3.228 1.00 0.00 C ATOM 0 H ALA A 85 8.289 5.636 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 85 9.859 3.295 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.715 2.167 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.950 3.629 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.844 3.665 -3.612 1.00 0.00 H new ATOM 1330 N LYS A 86 7.959 3.705 -6.384 1.00 0.00 N ATOM 1331 CA LYS A 86 7.731 3.216 -7.753 1.00 0.00 C ATOM 1332 C LYS A 86 8.936 3.477 -8.670 1.00 0.00 C ATOM 1333 O LYS A 86 9.233 2.631 -9.512 1.00 0.00 O ATOM 1334 CB LYS A 86 6.427 3.787 -8.376 1.00 0.00 C ATOM 1335 CG LYS A 86 6.418 5.303 -8.663 1.00 0.00 C ATOM 1336 CD LYS A 86 5.057 5.797 -9.202 1.00 0.00 C ATOM 1337 CE LYS A 86 4.639 5.132 -10.524 1.00 0.00 C ATOM 1338 NZ LYS A 86 5.577 5.448 -11.632 1.00 0.00 N ATOM 0 H LYS A 86 7.431 4.544 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 86 7.607 2.136 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.234 3.260 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.598 3.560 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.660 5.844 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.198 5.537 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.289 5.609 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.103 6.876 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.592 4.052 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.636 5.463 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.247 4.993 -12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.616 6.478 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.526 5.095 -11.395 1.00 0.00 H new ATOM 1352 N LEU A 87 9.646 4.624 -8.500 1.00 0.00 N ATOM 1353 CA LEU A 87 10.775 4.971 -9.392 1.00 0.00 C ATOM 1354 C LEU A 87 11.988 4.073 -9.109 1.00 0.00 C ATOM 1355 O LEU A 87 12.700 3.691 -10.038 1.00 0.00 O ATOM 1356 CB LEU A 87 11.128 6.509 -9.375 1.00 0.00 C ATOM 1357 CG LEU A 87 11.630 7.192 -8.047 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.121 6.905 -7.729 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.369 8.722 -8.075 1.00 0.00 C ATOM 0 H LEU A 87 9.459 5.309 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 87 10.454 4.772 -10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.894 6.673 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.238 7.048 -9.700 1.00 0.00 H new ATOM 0 HG LEU A 87 11.048 6.742 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.398 7.406 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.269 5.831 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.744 7.276 -8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.725 9.169 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.899 9.166 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.300 8.907 -8.180 1.00 0.00 H new ATOM 1371 N LYS A 88 12.226 3.736 -7.820 1.00 0.00 N ATOM 1372 CA LYS A 88 13.289 2.784 -7.442 1.00 0.00 C ATOM 1373 C LYS A 88 12.877 1.338 -7.782 1.00 0.00 C ATOM 1374 O LYS A 88 13.734 0.500 -8.070 1.00 0.00 O ATOM 1375 CB LYS A 88 13.705 2.927 -5.945 1.00 0.00 C ATOM 1376 CG LYS A 88 12.632 2.593 -4.881 1.00 0.00 C ATOM 1377 CD LYS A 88 13.252 2.417 -3.473 1.00 0.00 C ATOM 1378 CE LYS A 88 12.216 2.080 -2.383 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.412 3.261 -1.981 1.00 0.00 N ATOM 0 H LYS A 88 11.698 4.108 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 88 14.171 3.031 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.567 2.283 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.035 3.953 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.888 3.389 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.111 1.679 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.999 1.624 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.773 3.334 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.550 1.298 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.730 1.679 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.699 3.569 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.570 4.035 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.403 3.008 -1.973 1.00 0.00 H new ATOM 1393 N ALA A 89 11.555 1.055 -7.742 1.00 0.00 N ATOM 1394 CA ALA A 89 10.984 -0.234 -8.201 1.00 0.00 C ATOM 1395 C ALA A 89 11.140 -0.434 -9.722 1.00 0.00 C ATOM 1396 O ALA A 89 11.117 -1.569 -10.196 1.00 0.00 O ATOM 1397 CB ALA A 89 9.508 -0.362 -7.793 1.00 0.00 C ATOM 0 H ALA A 89 10.856 1.710 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 89 11.553 -1.022 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.115 -1.317 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.425 -0.311 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.935 0.451 -8.239 1.00 0.00 H new ATOM 1403 N GLU A 90 11.264 0.675 -10.486 1.00 0.00 N ATOM 1404 CA GLU A 90 11.623 0.628 -11.927 1.00 0.00 C ATOM 1405 C GLU A 90 13.006 -0.037 -12.140 1.00 0.00 C ATOM 1406 O GLU A 90 13.278 -0.591 -13.210 1.00 0.00 O ATOM 1407 CB GLU A 90 11.587 2.045 -12.558 1.00 0.00 C ATOM 1408 CG GLU A 90 10.210 2.740 -12.523 1.00 0.00 C ATOM 1409 CD GLU A 90 9.137 2.023 -13.349 1.00 0.00 C ATOM 1410 OE1 GLU A 90 9.067 2.251 -14.570 1.00 0.00 O ATOM 1411 OE2 GLU A 90 8.346 1.249 -12.783 1.00 0.00 O ATOM 0 H GLU A 90 11.120 1.619 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 90 10.877 0.015 -12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 90 12.309 2.676 -12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.914 1.973 -13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.874 2.809 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.318 3.760 -12.891 1.00 0.00 H new ATOM 1418 N GLY A 91 13.849 -0.009 -11.087 1.00 0.00 N ATOM 1419 CA GLY A 91 15.143 -0.694 -11.080 1.00 0.00 C ATOM 1420 C GLY A 91 15.043 -2.226 -10.985 1.00 0.00 C ATOM 1421 O GLY A 91 16.070 -2.908 -10.893 1.00 0.00 O ATOM 0 H GLY A 91 13.645 0.491 -10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.686 -0.432 -11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.732 -0.326 -10.240 1.00 0.00 H new ATOM 1425 N LEU A 92 13.803 -2.761 -10.972 1.00 0.00 N ATOM 1426 CA LEU A 92 13.528 -4.207 -11.020 1.00 0.00 C ATOM 1427 C LEU A 92 13.358 -4.661 -12.480 1.00 0.00 C ATOM 1428 O LEU A 92 14.239 -5.337 -13.032 1.00 0.00 O ATOM 1429 CB LEU A 92 12.251 -4.561 -10.204 1.00 0.00 C ATOM 1430 CG LEU A 92 12.320 -4.308 -8.668 1.00 0.00 C ATOM 1431 CD1 LEU A 92 10.941 -4.530 -8.002 1.00 0.00 C ATOM 1432 CD2 LEU A 92 13.412 -5.189 -8.010 1.00 0.00 C ATOM 0 H LEU A 92 12.958 -2.192 -10.927 1.00 0.00 H new ATOM 0 HA LEU A 92 14.374 -4.729 -10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.417 -3.987 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.022 -5.614 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 92 12.595 -3.265 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.021 -4.346 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.213 -3.844 -8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.617 -5.557 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.440 -4.994 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.183 -6.241 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.382 -4.953 -8.447 1.00 0.00 H new ATOM 1444 N GLU A 93 12.234 -4.251 -13.114 1.00 0.00 N ATOM 1445 CA GLU A 93 11.826 -4.777 -14.430 1.00 0.00 C ATOM 1446 C GLU A 93 10.877 -3.803 -15.178 1.00 0.00 C ATOM 1447 O GLU A 93 11.166 -3.401 -16.313 1.00 0.00 O ATOM 1448 CB GLU A 93 11.153 -6.182 -14.272 1.00 0.00 C ATOM 1449 CG GLU A 93 10.023 -6.258 -13.221 1.00 0.00 C ATOM 1450 CD GLU A 93 9.139 -7.505 -13.360 1.00 0.00 C ATOM 1451 OE1 GLU A 93 9.493 -8.573 -12.813 1.00 0.00 O ATOM 1452 OE2 GLU A 93 8.088 -7.421 -14.041 1.00 0.00 O ATOM 0 H GLU A 93 11.595 -3.555 -12.730 1.00 0.00 H new ATOM 0 HA GLU A 93 12.728 -4.880 -15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.749 -6.484 -15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.922 -6.907 -14.007 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.464 -6.244 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.399 -5.369 -13.306 1.00 0.00 H new ATOM 1459 N HIS A 94 9.766 -3.429 -14.506 1.00 0.00 N ATOM 1460 CA HIS A 94 8.589 -2.770 -15.114 1.00 0.00 C ATOM 1461 C HIS A 94 8.087 -3.562 -16.340 1.00 0.00 C ATOM 1462 O HIS A 94 8.269 -3.124 -17.485 1.00 0.00 O ATOM 1463 CB HIS A 94 8.853 -1.272 -15.452 1.00 0.00 C ATOM 1464 CG HIS A 94 7.598 -0.507 -15.817 1.00 0.00 C ATOM 1465 ND1 HIS A 94 6.761 0.050 -14.876 1.00 0.00 N ATOM 1466 CD2 HIS A 94 7.023 -0.251 -17.016 1.00 0.00 C ATOM 1467 CE1 HIS A 94 5.734 0.607 -15.474 1.00 0.00 C ATOM 1468 NE2 HIS A 94 5.869 0.442 -16.772 1.00 0.00 N ATOM 0 H HIS A 94 9.660 -3.580 -13.503 1.00 0.00 H new ATOM 0 HA HIS A 94 7.794 -2.774 -14.368 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.326 -0.792 -14.595 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.559 -1.213 -16.280 1.00 0.00 H new ATOM 0 HD1 HIS A 94 6.916 0.032 -13.868 1.00 0.00 H new ATOM 0 HD2 HIS A 94 7.404 -0.540 -17.984 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.917 1.115 -14.984 1.00 0.00 H new ATOM 1477 N HIS A 95 7.534 -4.772 -16.080 1.00 0.00 N ATOM 1478 CA HIS A 95 6.941 -5.643 -17.125 1.00 0.00 C ATOM 1479 C HIS A 95 7.998 -5.976 -18.210 1.00 0.00 C ATOM 1480 O HIS A 95 7.683 -6.025 -19.398 1.00 0.00 O ATOM 1481 CB HIS A 95 5.663 -4.966 -17.732 1.00 0.00 C ATOM 1482 CG HIS A 95 4.714 -5.908 -18.445 1.00 0.00 C ATOM 1483 ND1 HIS A 95 3.666 -6.529 -17.808 1.00 0.00 N ATOM 1484 CD2 HIS A 95 4.643 -6.308 -19.739 1.00 0.00 C ATOM 1485 CE1 HIS A 95 2.997 -7.261 -18.673 1.00 0.00 C ATOM 1486 NE2 HIS A 95 3.567 -7.147 -19.854 1.00 0.00 N ATOM 0 H HIS A 95 7.486 -5.171 -15.142 1.00 0.00 H new ATOM 0 HA HIS A 95 6.629 -6.586 -16.676 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.120 -4.466 -16.930 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.978 -4.193 -18.433 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.313 -6.018 -20.534 1.00 0.00 H new ATOM 0 HE1 HIS A 95 2.124 -7.857 -18.451 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.259 -7.606 -20.711 1.00 0.00 H new ATOM 1495 N HIS A 96 9.260 -6.198 -17.764 1.00 0.00 N ATOM 1496 CA HIS A 96 10.435 -6.383 -18.655 1.00 0.00 C ATOM 1497 C HIS A 96 10.190 -7.478 -19.711 1.00 0.00 C ATOM 1498 O HIS A 96 10.403 -7.253 -20.913 1.00 0.00 O ATOM 1499 CB HIS A 96 11.691 -6.715 -17.804 1.00 0.00 C ATOM 1500 CG HIS A 96 12.946 -7.009 -18.584 1.00 0.00 C ATOM 1501 ND1 HIS A 96 13.780 -6.024 -19.054 1.00 0.00 N ATOM 1502 CD2 HIS A 96 13.494 -8.182 -18.983 1.00 0.00 C ATOM 1503 CE1 HIS A 96 14.781 -6.576 -19.705 1.00 0.00 C ATOM 1504 NE2 HIS A 96 14.633 -7.883 -19.679 1.00 0.00 N ATOM 0 H HIS A 96 9.493 -6.254 -16.773 1.00 0.00 H new ATOM 0 HA HIS A 96 10.599 -5.450 -19.194 1.00 0.00 H new ATOM 0 HB2 HIS A 96 11.888 -5.876 -17.136 1.00 0.00 H new ATOM 0 HB3 HIS A 96 11.465 -7.576 -17.176 1.00 0.00 H new ATOM 0 HD2 HIS A 96 13.104 -9.170 -18.788 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.591 -6.044 -20.182 1.00 0.00 H new ATOM 0 HE2 HIS A 96 15.263 -8.561 -20.107 1.00 0.00 H new ATOM 1513 N HIS A 97 9.720 -8.640 -19.221 1.00 0.00 N ATOM 1514 CA HIS A 97 9.429 -9.835 -20.027 1.00 0.00 C ATOM 1515 C HIS A 97 10.700 -10.300 -20.763 1.00 0.00 C ATOM 1516 O HIS A 97 10.950 -9.888 -21.899 1.00 0.00 O ATOM 1517 CB HIS A 97 8.247 -9.578 -21.010 1.00 0.00 C ATOM 1518 CG HIS A 97 7.845 -10.786 -21.825 1.00 0.00 C ATOM 1519 ND1 HIS A 97 7.121 -11.831 -21.301 1.00 0.00 N ATOM 1520 CD2 HIS A 97 8.081 -11.115 -23.123 1.00 0.00 C ATOM 1521 CE1 HIS A 97 6.932 -12.744 -22.231 1.00 0.00 C ATOM 1522 NE2 HIS A 97 7.503 -12.338 -23.346 1.00 0.00 N ATOM 0 H HIS A 97 9.528 -8.775 -18.228 1.00 0.00 H new ATOM 0 HA HIS A 97 9.114 -10.638 -19.361 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.384 -9.234 -20.440 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.523 -8.771 -21.689 1.00 0.00 H new ATOM 0 HD2 HIS A 97 8.623 -10.522 -23.845 1.00 0.00 H new ATOM 0 HE1 HIS A 97 6.397 -13.673 -22.101 1.00 0.00 H new ATOM 0 HE2 HIS A 97 7.514 -12.849 -24.229 1.00 0.00 H new ATOM 1531 N HIS A 98 11.522 -11.113 -20.080 1.00 0.00 N ATOM 1532 CA HIS A 98 12.778 -11.630 -20.645 1.00 0.00 C ATOM 1533 C HIS A 98 12.472 -12.541 -21.847 1.00 0.00 C ATOM 1534 O HIS A 98 11.888 -13.623 -21.688 1.00 0.00 O ATOM 1535 CB HIS A 98 13.591 -12.410 -19.578 1.00 0.00 C ATOM 1536 CG HIS A 98 14.974 -12.814 -20.033 1.00 0.00 C ATOM 1537 ND1 HIS A 98 15.213 -13.684 -21.082 1.00 0.00 N ATOM 1538 CD2 HIS A 98 16.191 -12.428 -19.597 1.00 0.00 C ATOM 1539 CE1 HIS A 98 16.507 -13.802 -21.263 1.00 0.00 C ATOM 1540 NE2 HIS A 98 17.123 -13.051 -20.378 1.00 0.00 N ATOM 0 H HIS A 98 11.336 -11.428 -19.128 1.00 0.00 H new ATOM 0 HA HIS A 98 13.380 -10.784 -20.976 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.680 -11.795 -18.682 1.00 0.00 H new ATOM 0 HB3 HIS A 98 13.036 -13.305 -19.296 1.00 0.00 H new ATOM 0 HD2 HIS A 98 16.392 -11.751 -18.780 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.986 -14.414 -22.013 1.00 0.00 H new ATOM 0 HE2 HIS A 98 18.134 -12.950 -20.289 1.00 0.00 H new ATOM 1549 N HIS A 99 12.837 -12.081 -23.048 1.00 0.00 N ATOM 1550 CA HIS A 99 12.734 -12.885 -24.270 1.00 0.00 C ATOM 1551 C HIS A 99 14.023 -13.734 -24.403 1.00 0.00 C ATOM 1552 O HIS A 99 13.970 -14.959 -24.179 1.00 0.00 O ATOM 1553 CB HIS A 99 12.512 -11.969 -25.499 1.00 0.00 C ATOM 1554 CG HIS A 99 12.314 -12.716 -26.790 1.00 0.00 C ATOM 1555 ND1 HIS A 99 13.223 -12.691 -27.826 1.00 0.00 N ATOM 1556 CD2 HIS A 99 11.304 -13.518 -27.203 1.00 0.00 C ATOM 1557 CE1 HIS A 99 12.780 -13.439 -28.817 1.00 0.00 C ATOM 1558 NE2 HIS A 99 11.617 -13.954 -28.465 1.00 0.00 N ATOM 1559 OXT HIS A 99 15.098 -13.156 -24.663 1.00 0.00 O ATOM 0 H HIS A 99 13.211 -11.144 -23.200 1.00 0.00 H new ATOM 0 HA HIS A 99 11.875 -13.554 -24.218 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.641 -11.340 -25.318 1.00 0.00 H new ATOM 0 HB3 HIS A 99 13.369 -11.304 -25.603 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.416 -13.768 -26.642 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.284 -13.603 -29.758 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.045 -14.575 -29.038 1.00 0.00 H new TER 1568 HIS A 99