USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 887 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 15 GLN : amide:sc= -0.319 K(o=-2.4,f=-1.4) USER MOD Set 1.2: A 18 GLN : amide:sc= -2.13! K(o=-2.4!,f=-1) USER MOD Single : A 1 SER N :NH3+ -156:sc= 1.23 (180deg=1.11) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0447) USER MOD Single : A 8 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.074) USER MOD Single : A 9 THR OG1 : rot 80:sc= 0.0016 USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.13) USER MOD Single : A 31 SER OG : rot 66:sc= 1.24 USER MOD Single : A 34 GLN : amide:sc= -0.083 K(o=-0.083,f=-0.7) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.15) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 ASN : amide:sc= -1.25! K(o=-1.2!,f=-0.034) USER MOD Single : A 54 GLN : amide:sc= -0.866 K(o=-0.87,f=-1.6) USER MOD Single : A 59 THR OG1 : rot 180:sc=0.000125 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0512 (180deg=-0.371) USER MOD Single : A 64 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.82) USER MOD Single : A 67 GLN : amide:sc=-0.00543 K(o=-0.0054,f=-0.88) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 73 GLN : amide:sc=-0.000706 K(o=-0.00071,f=-0.98) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.423) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.0482 (180deg=-0.238) USER MOD Single : A 86 SER OG : rot 50:sc= 1.16 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 96 GLN : amide:sc= -0.0426 K(o=-0.043,f=-0.81) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -121:sc= -0.272 (180deg=-0.811) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.269 10.174 18.809 1.00 0.00 N ATOM 2 CA SER A 1 9.718 8.945 19.395 1.00 0.00 C ATOM 3 C SER A 1 10.584 7.740 19.021 1.00 0.00 C ATOM 4 O SER A 1 11.565 7.878 18.301 1.00 0.00 O ATOM 5 CB SER A 1 8.287 8.740 18.899 1.00 0.00 C ATOM 6 OG SER A 1 7.489 9.887 19.152 1.00 0.00 O ATOM 0 H1 SER A 1 9.954 10.995 19.364 1.00 0.00 H new ATOM 0 H2 SER A 1 11.308 10.128 18.818 1.00 0.00 H new ATOM 0 H3 SER A 1 9.936 10.271 17.829 1.00 0.00 H new ATOM 0 HA SER A 1 9.713 9.040 20.481 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.296 8.528 17.830 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.849 7.872 19.392 1.00 0.00 H new ATOM 0 HG SER A 1 6.579 9.731 18.824 1.00 0.00 H new ATOM 14 N GLU A 2 10.217 6.563 19.514 1.00 0.00 N ATOM 15 CA GLU A 2 10.958 5.341 19.211 1.00 0.00 C ATOM 16 C GLU A 2 10.342 4.618 18.016 1.00 0.00 C ATOM 17 O GLU A 2 10.695 3.480 17.716 1.00 0.00 O ATOM 18 CB GLU A 2 10.976 4.412 20.425 1.00 0.00 C ATOM 19 CG GLU A 2 11.673 4.996 21.640 1.00 0.00 C ATOM 20 CD GLU A 2 11.662 4.054 22.818 1.00 0.00 C ATOM 21 OE1 GLU A 2 12.615 3.260 22.961 1.00 0.00 O ATOM 22 OE2 GLU A 2 10.695 4.092 23.603 1.00 0.00 O1- ATOM 0 H GLU A 2 9.412 6.427 20.125 1.00 0.00 H new ATOM 0 HA GLU A 2 11.982 5.620 18.962 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.950 4.162 20.693 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.469 3.480 20.149 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.704 5.239 21.382 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.186 5.930 21.921 1.00 0.00 H new ATOM 29 N PHE A 3 9.430 5.287 17.337 1.00 0.00 N ATOM 30 CA PHE A 3 8.744 4.707 16.190 1.00 0.00 C ATOM 31 C PHE A 3 9.000 5.533 14.937 1.00 0.00 C ATOM 32 O PHE A 3 8.223 5.488 13.982 1.00 0.00 O ATOM 33 CB PHE A 3 7.236 4.625 16.464 1.00 0.00 C ATOM 34 CG PHE A 3 6.879 3.763 17.645 1.00 0.00 C ATOM 35 CD1 PHE A 3 6.679 4.325 18.897 1.00 0.00 C ATOM 36 CD2 PHE A 3 6.746 2.392 17.502 1.00 0.00 C ATOM 37 CE1 PHE A 3 6.353 3.535 19.983 1.00 0.00 C ATOM 38 CE2 PHE A 3 6.420 1.597 18.583 1.00 0.00 C ATOM 39 CZ PHE A 3 6.223 2.169 19.826 1.00 0.00 C ATOM 0 H PHE A 3 9.143 6.240 17.559 1.00 0.00 H new ATOM 0 HA PHE A 3 9.133 3.702 16.028 1.00 0.00 H new ATOM 0 HB2 PHE A 3 6.851 5.631 16.631 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.736 4.236 15.577 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.779 5.393 19.025 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.899 1.939 16.534 1.00 0.00 H new ATOM 0 HE1 PHE A 3 6.200 3.985 20.953 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.319 0.529 18.457 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.968 1.549 20.673 1.00 0.00 H new ATOM 49 N GLU A 4 10.114 6.255 14.933 1.00 0.00 N ATOM 50 CA GLU A 4 10.468 7.130 13.819 1.00 0.00 C ATOM 51 C GLU A 4 10.600 6.347 12.513 1.00 0.00 C ATOM 52 O GLU A 4 10.096 6.774 11.473 1.00 0.00 O ATOM 53 CB GLU A 4 11.771 7.866 14.114 1.00 0.00 C ATOM 54 CG GLU A 4 11.716 8.769 15.339 1.00 0.00 C ATOM 55 CD GLU A 4 10.670 9.854 15.220 1.00 0.00 C ATOM 56 OE1 GLU A 4 10.679 10.586 14.207 1.00 0.00 O ATOM 57 OE2 GLU A 4 9.831 9.987 16.144 1.00 0.00 O1- ATOM 0 H GLU A 4 10.793 6.252 15.694 1.00 0.00 H new ATOM 0 HA GLU A 4 9.663 7.855 13.702 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.566 7.133 14.253 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.040 8.467 13.245 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.507 8.164 16.221 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.693 9.228 15.491 1.00 0.00 H new ATOM 64 N LYS A 5 11.259 5.193 12.580 1.00 0.00 N ATOM 65 CA LYS A 5 11.454 4.356 11.394 1.00 0.00 C ATOM 66 C LYS A 5 10.116 3.873 10.849 1.00 0.00 C ATOM 67 O LYS A 5 9.887 3.877 9.640 1.00 0.00 O ATOM 68 CB LYS A 5 12.343 3.149 11.713 1.00 0.00 C ATOM 69 CG LYS A 5 13.733 3.511 12.220 1.00 0.00 C ATOM 70 CD LYS A 5 14.613 2.275 12.387 1.00 0.00 C ATOM 71 CE LYS A 5 14.012 1.267 13.365 1.00 0.00 C ATOM 72 NZ LYS A 5 13.872 1.820 14.736 1.00 0.00 N ATOM 0 H LYS A 5 11.666 4.816 13.436 1.00 0.00 H new ATOM 0 HA LYS A 5 11.948 4.966 10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.845 2.533 12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.444 2.539 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.206 4.203 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.648 4.029 13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.754 1.798 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.599 2.578 12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.034 0.952 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.641 0.378 13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.540 1.073 15.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.793 2.174 15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.184 2.600 14.727 1.00 0.00 H new ATOM 86 N LEU A 6 9.228 3.483 11.754 1.00 0.00 N ATOM 87 CA LEU A 6 7.915 2.988 11.373 1.00 0.00 C ATOM 88 C LEU A 6 7.112 4.096 10.703 1.00 0.00 C ATOM 89 O LEU A 6 6.437 3.871 9.699 1.00 0.00 O ATOM 90 CB LEU A 6 7.174 2.453 12.605 1.00 0.00 C ATOM 91 CG LEU A 6 5.833 1.763 12.339 1.00 0.00 C ATOM 92 CD1 LEU A 6 6.020 0.538 11.453 1.00 0.00 C ATOM 93 CD2 LEU A 6 5.170 1.377 13.651 1.00 0.00 C ATOM 0 H LEU A 6 9.396 3.501 12.760 1.00 0.00 H new ATOM 0 HA LEU A 6 8.037 2.171 10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.827 1.747 13.118 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.002 3.284 13.289 1.00 0.00 H new ATOM 0 HG LEU A 6 5.184 2.464 11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.054 0.065 11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.454 0.841 10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.687 -0.169 11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.218 0.887 13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.819 0.694 14.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.997 2.272 14.249 1.00 0.00 H new ATOM 105 N ARG A 7 7.213 5.298 11.256 1.00 0.00 N ATOM 106 CA ARG A 7 6.537 6.459 10.702 1.00 0.00 C ATOM 107 C ARG A 7 7.061 6.787 9.315 1.00 0.00 C ATOM 108 O ARG A 7 6.286 7.020 8.391 1.00 0.00 O ATOM 109 CB ARG A 7 6.721 7.675 11.610 1.00 0.00 C ATOM 110 CG ARG A 7 5.816 7.698 12.825 1.00 0.00 C ATOM 111 CD ARG A 7 4.360 7.838 12.423 1.00 0.00 C ATOM 112 NE ARG A 7 3.510 8.165 13.563 1.00 0.00 N ATOM 113 CZ ARG A 7 2.224 8.509 13.466 1.00 0.00 C ATOM 114 NH1 ARG A 7 1.623 8.536 12.279 1.00 0.00 N ATOM 115 NH2 ARG A 7 1.543 8.827 14.556 1.00 0.00 N ATOM 0 H ARG A 7 7.761 5.493 12.094 1.00 0.00 H new ATOM 0 HA ARG A 7 5.477 6.217 10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.758 7.708 11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.546 8.578 11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.951 6.781 13.399 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.097 8.526 13.476 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.266 8.616 11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.017 6.908 11.970 1.00 0.00 H new ATOM 0 HE ARG A 7 3.925 8.128 14.494 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.145 8.293 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.640 8.800 12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.001 8.809 15.467 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.560 9.090 14.485 1.00 0.00 H new ATOM 129 N GLN A 8 8.382 6.790 9.173 1.00 0.00 N ATOM 130 CA GLN A 8 9.011 7.145 7.911 1.00 0.00 C ATOM 131 C GLN A 8 8.616 6.177 6.797 1.00 0.00 C ATOM 132 O GLN A 8 8.216 6.602 5.715 1.00 0.00 O ATOM 133 CB GLN A 8 10.535 7.156 8.070 1.00 0.00 C ATOM 134 CG GLN A 8 11.282 7.609 6.826 1.00 0.00 C ATOM 135 CD GLN A 8 11.018 9.060 6.490 1.00 0.00 C ATOM 136 OE1 GLN A 8 10.078 9.384 5.766 1.00 0.00 O ATOM 137 NE2 GLN A 8 11.844 9.941 7.011 1.00 0.00 N ATOM 0 H GLN A 8 9.036 6.550 9.918 1.00 0.00 H new ATOM 0 HA GLN A 8 8.664 8.140 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.799 7.812 8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.870 6.154 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.352 7.462 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.989 6.985 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.612 9.630 7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.717 10.935 6.819 1.00 0.00 H new ATOM 146 N THR A 9 8.693 4.884 7.077 1.00 0.00 N ATOM 147 CA THR A 9 8.350 3.878 6.090 1.00 0.00 C ATOM 148 C THR A 9 6.842 3.837 5.825 1.00 0.00 C ATOM 149 O THR A 9 6.410 3.767 4.670 1.00 0.00 O ATOM 150 CB THR A 9 8.857 2.486 6.506 1.00 0.00 C ATOM 151 OG1 THR A 9 10.277 2.537 6.694 1.00 0.00 O ATOM 152 CG2 THR A 9 8.530 1.450 5.441 1.00 0.00 C ATOM 0 H THR A 9 8.990 4.510 7.978 1.00 0.00 H new ATOM 0 HA THR A 9 8.849 4.161 5.163 1.00 0.00 H new ATOM 0 HB THR A 9 8.363 2.199 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.477 2.930 7.569 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.898 0.474 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.450 1.402 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.007 1.731 4.502 1.00 0.00 H new ATOM 160 N GLY A 10 6.051 3.894 6.893 1.00 0.00 N ATOM 161 CA GLY A 10 4.607 3.857 6.753 1.00 0.00 C ATOM 162 C GLY A 10 4.084 5.016 5.935 1.00 0.00 C ATOM 163 O GLY A 10 3.255 4.835 5.044 1.00 0.00 O ATOM 0 H GLY A 10 6.386 3.965 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.313 2.919 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.147 3.875 7.741 1.00 0.00 H new ATOM 167 N ASP A 11 4.584 6.204 6.225 1.00 0.00 N ATOM 168 CA ASP A 11 4.175 7.404 5.509 1.00 0.00 C ATOM 169 C ASP A 11 4.662 7.370 4.064 1.00 0.00 C ATOM 170 O ASP A 11 3.941 7.766 3.146 1.00 0.00 O ATOM 171 CB ASP A 11 4.702 8.647 6.217 1.00 0.00 C ATOM 172 CG ASP A 11 4.361 9.923 5.489 1.00 0.00 C ATOM 173 OD1 ASP A 11 3.162 10.265 5.410 1.00 0.00 O ATOM 174 OD2 ASP A 11 5.293 10.606 5.017 1.00 0.00 O1- ATOM 0 H ASP A 11 5.278 6.366 6.955 1.00 0.00 H new ATOM 0 HA ASP A 11 3.086 7.440 5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.289 8.688 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.785 8.570 6.319 1.00 0.00 H new ATOM 179 N GLU A 12 5.882 6.876 3.870 1.00 0.00 N ATOM 180 CA GLU A 12 6.467 6.758 2.537 1.00 0.00 C ATOM 181 C GLU A 12 5.608 5.829 1.678 1.00 0.00 C ATOM 182 O GLU A 12 5.385 6.081 0.490 1.00 0.00 O ATOM 183 CB GLU A 12 7.899 6.215 2.644 1.00 0.00 C ATOM 184 CG GLU A 12 8.691 6.248 1.347 1.00 0.00 C ATOM 185 CD GLU A 12 8.955 7.652 0.854 1.00 0.00 C ATOM 186 OE1 GLU A 12 8.280 8.092 -0.090 1.00 0.00 O ATOM 187 OE2 GLU A 12 9.850 8.321 1.398 1.00 0.00 O1- ATOM 0 H GLU A 12 6.487 6.549 4.623 1.00 0.00 H new ATOM 0 HA GLU A 12 6.500 7.741 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.436 6.792 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.857 5.186 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.642 5.736 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.147 5.696 0.581 1.00 0.00 H new ATOM 194 N LEU A 13 5.113 4.763 2.306 1.00 0.00 N ATOM 195 CA LEU A 13 4.243 3.800 1.647 1.00 0.00 C ATOM 196 C LEU A 13 2.972 4.493 1.159 1.00 0.00 C ATOM 197 O LEU A 13 2.540 4.302 0.019 1.00 0.00 O ATOM 198 CB LEU A 13 3.887 2.671 2.626 1.00 0.00 C ATOM 199 CG LEU A 13 3.084 1.501 2.052 1.00 0.00 C ATOM 200 CD1 LEU A 13 3.911 0.726 1.041 1.00 0.00 C ATOM 201 CD2 LEU A 13 2.610 0.584 3.169 1.00 0.00 C ATOM 0 H LEU A 13 5.306 4.546 3.284 1.00 0.00 H new ATOM 0 HA LEU A 13 4.763 3.376 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.813 2.277 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.321 3.101 3.452 1.00 0.00 H new ATOM 0 HG LEU A 13 2.210 1.904 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.321 -0.101 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.201 1.387 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.805 0.334 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.041 -0.243 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.472 0.192 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.977 1.145 3.856 1.00 0.00 H new ATOM 213 N VAL A 14 2.394 5.316 2.029 1.00 0.00 N ATOM 214 CA VAL A 14 1.188 6.069 1.705 1.00 0.00 C ATOM 215 C VAL A 14 1.445 7.019 0.536 1.00 0.00 C ATOM 216 O VAL A 14 0.637 7.117 -0.392 1.00 0.00 O ATOM 217 CB VAL A 14 0.688 6.887 2.926 1.00 0.00 C ATOM 218 CG1 VAL A 14 -0.582 7.656 2.589 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.461 5.980 4.127 1.00 0.00 C ATOM 0 H VAL A 14 2.746 5.479 2.972 1.00 0.00 H new ATOM 0 HA VAL A 14 0.420 5.347 1.427 1.00 0.00 H new ATOM 0 HB VAL A 14 1.462 7.610 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.909 8.220 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.384 8.344 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.364 6.956 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.111 6.574 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.287 5.227 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.396 5.488 4.393 1.00 0.00 H new ATOM 229 N GLN A 15 2.578 7.704 0.581 1.00 0.00 N ATOM 230 CA GLN A 15 2.948 8.649 -0.463 1.00 0.00 C ATOM 231 C GLN A 15 3.120 7.958 -1.811 1.00 0.00 C ATOM 232 O GLN A 15 2.607 8.430 -2.823 1.00 0.00 O ATOM 233 CB GLN A 15 4.231 9.395 -0.091 1.00 0.00 C ATOM 234 CG GLN A 15 4.071 10.374 1.062 1.00 0.00 C ATOM 235 CD GLN A 15 3.035 11.444 0.778 1.00 0.00 C ATOM 236 OE1 GLN A 15 1.861 11.294 1.109 1.00 0.00 O ATOM 237 NE2 GLN A 15 3.459 12.523 0.150 1.00 0.00 N ATOM 0 H GLN A 15 3.261 7.622 1.334 1.00 0.00 H new ATOM 0 HA GLN A 15 2.133 9.367 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.999 8.667 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.590 9.937 -0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.787 9.827 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.031 10.848 1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.442 12.610 -0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.804 13.271 -0.078 1.00 0.00 H new ATOM 246 N ALA A 16 3.820 6.829 -1.815 1.00 0.00 N ATOM 247 CA ALA A 16 4.089 6.093 -3.049 1.00 0.00 C ATOM 248 C ALA A 16 2.801 5.638 -3.731 1.00 0.00 C ATOM 249 O ALA A 16 2.648 5.786 -4.944 1.00 0.00 O ATOM 250 CB ALA A 16 4.993 4.907 -2.773 1.00 0.00 C ATOM 0 H ALA A 16 4.213 6.401 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 16 4.598 6.773 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.183 4.370 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.937 5.258 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.509 4.239 -2.061 1.00 0.00 H new ATOM 256 N PHE A 17 1.871 5.102 -2.951 1.00 0.00 N ATOM 257 CA PHE A 17 0.590 4.659 -3.493 1.00 0.00 C ATOM 258 C PHE A 17 -0.199 5.819 -4.078 1.00 0.00 C ATOM 259 O PHE A 17 -0.877 5.670 -5.089 1.00 0.00 O ATOM 260 CB PHE A 17 -0.233 3.903 -2.456 1.00 0.00 C ATOM 261 CG PHE A 17 0.116 2.445 -2.379 1.00 0.00 C ATOM 262 CD1 PHE A 17 0.889 1.952 -1.346 1.00 0.00 C ATOM 263 CD2 PHE A 17 -0.330 1.566 -3.354 1.00 0.00 C ATOM 264 CE1 PHE A 17 1.210 0.611 -1.284 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.013 0.226 -3.297 1.00 0.00 C ATOM 266 CZ PHE A 17 0.758 -0.253 -2.261 1.00 0.00 C ATOM 0 H PHE A 17 1.977 4.963 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 17 0.811 3.965 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.082 4.359 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.291 4.005 -2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.246 2.623 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.934 1.936 -4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.815 0.238 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.368 -0.447 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.008 -1.302 -2.213 1.00 0.00 H new ATOM 276 N GLN A 18 -0.124 6.970 -3.435 1.00 0.00 N ATOM 277 CA GLN A 18 -0.792 8.155 -3.939 1.00 0.00 C ATOM 278 C GLN A 18 -0.180 8.596 -5.262 1.00 0.00 C ATOM 279 O GLN A 18 -0.889 9.029 -6.161 1.00 0.00 O ATOM 280 CB GLN A 18 -0.743 9.276 -2.916 1.00 0.00 C ATOM 281 CG GLN A 18 -1.565 8.990 -1.676 1.00 0.00 C ATOM 282 CD GLN A 18 -1.475 10.095 -0.661 1.00 0.00 C ATOM 283 OE1 GLN A 18 -2.270 11.033 -0.670 1.00 0.00 O ATOM 284 NE2 GLN A 18 -0.508 9.997 0.214 1.00 0.00 N ATOM 0 H GLN A 18 0.391 7.109 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.839 7.908 -4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.293 9.448 -2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.102 10.196 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.607 8.845 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.225 8.058 -1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.129 9.201 0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.390 10.717 0.927 1.00 0.00 H new ATOM 293 N ARG A 19 1.137 8.447 -5.390 1.00 0.00 N ATOM 294 CA ARG A 19 1.822 8.782 -6.640 1.00 0.00 C ATOM 295 C ARG A 19 1.297 7.894 -7.749 1.00 0.00 C ATOM 296 O ARG A 19 1.160 8.319 -8.892 1.00 0.00 O ATOM 297 CB ARG A 19 3.332 8.583 -6.511 1.00 0.00 C ATOM 298 CG ARG A 19 3.969 9.371 -5.391 1.00 0.00 C ATOM 299 CD ARG A 19 5.445 9.054 -5.268 1.00 0.00 C ATOM 300 NE ARG A 19 6.008 9.587 -4.037 1.00 0.00 N ATOM 301 CZ ARG A 19 6.885 8.942 -3.269 1.00 0.00 C ATOM 302 NH1 ARG A 19 7.385 7.762 -3.653 1.00 0.00 N ATOM 303 NH2 ARG A 19 7.280 9.489 -2.128 1.00 0.00 N ATOM 0 H ARG A 19 1.748 8.100 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 19 1.630 9.830 -6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.535 7.523 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.805 8.863 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.837 10.438 -5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.466 9.144 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.589 7.974 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.979 9.470 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 19 5.711 10.517 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.095 7.350 -4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.056 7.275 -3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.913 10.397 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.951 9.002 -1.534 1.00 0.00 H new ATOM 317 N LEU A 20 0.983 6.657 -7.383 1.00 0.00 N ATOM 318 CA LEU A 20 0.437 5.683 -8.308 1.00 0.00 C ATOM 319 C LEU A 20 -0.892 6.184 -8.869 1.00 0.00 C ATOM 320 O LEU A 20 -1.158 6.053 -10.055 1.00 0.00 O ATOM 321 CB LEU A 20 0.225 4.345 -7.584 1.00 0.00 C ATOM 322 CG LEU A 20 -0.237 3.170 -8.446 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.882 2.703 -9.357 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.729 2.028 -7.571 1.00 0.00 C ATOM 0 H LEU A 20 1.102 6.305 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 20 1.138 5.540 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.161 4.066 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.509 4.497 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.066 3.506 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.533 1.866 -9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.185 3.521 -10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.733 2.385 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.054 1.200 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.079 1.693 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.566 2.370 -6.962 1.00 0.00 H new ATOM 336 N ARG A 21 -1.708 6.780 -8.002 1.00 0.00 N ATOM 337 CA ARG A 21 -3.021 7.293 -8.401 1.00 0.00 C ATOM 338 C ARG A 21 -2.869 8.445 -9.382 1.00 0.00 C ATOM 339 O ARG A 21 -3.504 8.472 -10.439 1.00 0.00 O ATOM 340 CB ARG A 21 -3.760 7.825 -7.197 1.00 0.00 C ATOM 341 CG ARG A 21 -3.679 6.969 -5.965 1.00 0.00 C ATOM 342 CD ARG A 21 -4.294 7.705 -4.807 1.00 0.00 C ATOM 343 NE ARG A 21 -3.809 9.096 -4.743 1.00 0.00 N ATOM 344 CZ ARG A 21 -4.188 9.994 -3.846 1.00 0.00 C ATOM 345 NH1 ARG A 21 -5.009 9.649 -2.865 1.00 0.00 N ATOM 346 NH2 ARG A 21 -3.733 11.240 -3.934 1.00 0.00 N ATOM 0 H ARG A 21 -1.484 6.921 -7.017 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.569 6.471 -8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.369 8.814 -6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.809 7.953 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.200 6.026 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.640 6.725 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.380 7.699 -4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.055 7.190 -3.877 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.129 9.390 -5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.351 8.690 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.299 10.342 -2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.097 11.499 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.020 11.937 -3.247 1.00 0.00 H new ATOM 360 N GLU A 22 -1.997 9.387 -9.028 1.00 0.00 N ATOM 361 CA GLU A 22 -1.764 10.566 -9.841 1.00 0.00 C ATOM 362 C GLU A 22 -1.151 10.193 -11.186 1.00 0.00 C ATOM 363 O GLU A 22 -1.539 10.729 -12.227 1.00 0.00 O ATOM 364 CB GLU A 22 -0.879 11.589 -9.100 1.00 0.00 C ATOM 365 CG GLU A 22 -1.628 12.480 -8.091 1.00 0.00 C ATOM 366 CD GLU A 22 -2.018 11.776 -6.795 1.00 0.00 C ATOM 367 OE1 GLU A 22 -1.374 12.037 -5.752 1.00 0.00 O ATOM 368 OE2 GLU A 22 -2.972 10.982 -6.806 1.00 0.00 O1- ATOM 0 H GLU A 22 -1.439 9.350 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.731 11.033 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.090 11.052 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.392 12.228 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.002 13.339 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.530 12.866 -8.566 1.00 0.00 H new ATOM 375 N ILE A 23 -0.202 9.273 -11.161 1.00 0.00 N ATOM 376 CA ILE A 23 0.435 8.795 -12.378 1.00 0.00 C ATOM 377 C ILE A 23 -0.559 8.008 -13.237 1.00 0.00 C ATOM 378 O ILE A 23 -0.558 8.117 -14.467 1.00 0.00 O ATOM 379 CB ILE A 23 1.689 7.945 -12.058 1.00 0.00 C ATOM 380 CG1 ILE A 23 2.799 8.856 -11.518 1.00 0.00 C ATOM 381 CG2 ILE A 23 2.167 7.182 -13.285 1.00 0.00 C ATOM 382 CD1 ILE A 23 4.052 8.123 -11.111 1.00 0.00 C ATOM 0 H ILE A 23 0.147 8.839 -10.306 1.00 0.00 H new ATOM 0 HA ILE A 23 0.763 9.664 -12.949 1.00 0.00 H new ATOM 0 HB ILE A 23 1.427 7.208 -11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.053 9.593 -12.280 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.417 9.406 -10.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.049 6.595 -13.028 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.376 6.516 -13.631 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.419 7.887 -14.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.787 8.837 -10.741 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.815 7.406 -10.325 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.461 7.595 -11.973 1.00 0.00 H new ATOM 394 N PHE A 24 -1.409 7.229 -12.578 1.00 0.00 N ATOM 395 CA PHE A 24 -2.456 6.471 -13.256 1.00 0.00 C ATOM 396 C PHE A 24 -3.410 7.412 -13.994 1.00 0.00 C ATOM 397 O PHE A 24 -3.800 7.152 -15.131 1.00 0.00 O ATOM 398 CB PHE A 24 -3.224 5.610 -12.238 1.00 0.00 C ATOM 399 CG PHE A 24 -4.570 5.135 -12.707 1.00 0.00 C ATOM 400 CD1 PHE A 24 -4.682 4.108 -13.626 1.00 0.00 C ATOM 401 CD2 PHE A 24 -5.726 5.723 -12.220 1.00 0.00 C ATOM 402 CE1 PHE A 24 -5.924 3.677 -14.049 1.00 0.00 C ATOM 403 CE2 PHE A 24 -6.966 5.298 -12.639 1.00 0.00 C ATOM 404 CZ PHE A 24 -7.069 4.278 -13.552 1.00 0.00 C ATOM 0 H PHE A 24 -1.393 7.105 -11.566 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.993 5.814 -13.992 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.616 4.742 -11.984 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.356 6.186 -11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.791 3.639 -14.016 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.653 6.526 -11.502 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.003 2.873 -14.766 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.858 5.767 -12.250 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.042 3.944 -13.882 1.00 0.00 H new ATOM 414 N ASP A 25 -3.779 8.504 -13.342 1.00 0.00 N ATOM 415 CA ASP A 25 -4.664 9.493 -13.953 1.00 0.00 C ATOM 416 C ASP A 25 -3.938 10.249 -15.064 1.00 0.00 C ATOM 417 O ASP A 25 -4.555 10.723 -16.017 1.00 0.00 O ATOM 418 CB ASP A 25 -5.183 10.472 -12.899 1.00 0.00 C ATOM 419 CG ASP A 25 -6.140 11.497 -13.477 1.00 0.00 C ATOM 420 OD1 ASP A 25 -7.339 11.187 -13.611 1.00 0.00 O ATOM 421 OD2 ASP A 25 -5.699 12.624 -13.781 1.00 0.00 O1- ATOM 0 H ASP A 25 -3.482 8.730 -12.393 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.514 8.968 -14.389 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.686 9.916 -12.108 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.339 10.987 -12.439 1.00 0.00 H new ATOM 426 N LYS A 26 -2.622 10.336 -14.939 1.00 0.00 N ATOM 427 CA LYS A 26 -1.790 11.015 -15.913 1.00 0.00 C ATOM 428 C LYS A 26 -1.580 10.129 -17.146 1.00 0.00 C ATOM 429 O LYS A 26 -1.193 10.608 -18.212 1.00 0.00 O ATOM 430 CB LYS A 26 -0.437 11.350 -15.267 1.00 0.00 C ATOM 431 CG LYS A 26 0.509 12.141 -16.147 1.00 0.00 C ATOM 432 CD LYS A 26 1.841 12.378 -15.447 1.00 0.00 C ATOM 433 CE LYS A 26 2.776 13.244 -16.281 1.00 0.00 C ATOM 434 NZ LYS A 26 3.109 12.619 -17.587 1.00 0.00 N ATOM 0 H LYS A 26 -2.103 9.936 -14.157 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.282 11.934 -16.232 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.617 11.914 -14.352 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.051 10.420 -14.977 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.676 11.604 -17.081 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.055 13.098 -16.406 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.665 12.858 -14.484 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.319 11.420 -15.243 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.311 14.215 -16.453 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.695 13.425 -15.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.813 13.203 -18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.499 11.668 -17.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.249 12.547 -18.167 1.00 0.00 H new ATOM 448 N GLY A 27 -1.845 8.834 -16.988 1.00 0.00 N ATOM 449 CA GLY A 27 -1.680 7.904 -18.088 1.00 0.00 C ATOM 450 C GLY A 27 -0.223 7.708 -18.443 1.00 0.00 C ATOM 451 O GLY A 27 0.115 7.403 -19.589 1.00 0.00 O ATOM 0 H GLY A 27 -2.171 8.414 -16.117 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.122 6.944 -17.822 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.220 8.273 -18.960 1.00 0.00 H new ATOM 455 N ASP A 28 0.642 7.889 -17.463 1.00 0.00 N ATOM 456 CA ASP A 28 2.075 7.793 -17.682 1.00 0.00 C ATOM 457 C ASP A 28 2.574 6.387 -17.379 1.00 0.00 C ATOM 458 O ASP A 28 2.884 6.058 -16.235 1.00 0.00 O ATOM 459 CB ASP A 28 2.811 8.816 -16.822 1.00 0.00 C ATOM 460 CG ASP A 28 4.188 9.131 -17.346 1.00 0.00 C ATOM 461 OD1 ASP A 28 5.098 8.304 -17.179 1.00 0.00 O ATOM 462 OD2 ASP A 28 4.362 10.226 -17.923 1.00 0.00 O1- ATOM 0 H ASP A 28 0.376 8.105 -16.502 1.00 0.00 H new ATOM 0 HA ASP A 28 2.277 8.008 -18.731 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.225 9.734 -16.775 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.892 8.437 -15.803 1.00 0.00 H new ATOM 467 N ASP A 29 2.628 5.558 -18.408 1.00 0.00 N ATOM 468 CA ASP A 29 3.047 4.160 -18.263 1.00 0.00 C ATOM 469 C ASP A 29 4.512 4.058 -17.860 1.00 0.00 C ATOM 470 O ASP A 29 4.919 3.099 -17.200 1.00 0.00 O ATOM 471 CB ASP A 29 2.831 3.384 -19.568 1.00 0.00 C ATOM 472 CG ASP A 29 1.393 3.380 -20.036 1.00 0.00 C ATOM 473 OD1 ASP A 29 0.600 2.549 -19.545 1.00 0.00 O ATOM 474 OD2 ASP A 29 1.053 4.200 -20.917 1.00 0.00 O1- ATOM 0 H ASP A 29 2.386 5.825 -19.362 1.00 0.00 H new ATOM 0 HA ASP A 29 2.432 3.723 -17.476 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.457 3.818 -20.347 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.162 2.355 -19.429 1.00 0.00 H new ATOM 479 N ASP A 30 5.300 5.043 -18.259 1.00 0.00 N ATOM 480 CA ASP A 30 6.731 5.049 -17.964 1.00 0.00 C ATOM 481 C ASP A 30 6.980 5.237 -16.472 1.00 0.00 C ATOM 482 O ASP A 30 7.704 4.458 -15.848 1.00 0.00 O ATOM 483 CB ASP A 30 7.429 6.155 -18.758 1.00 0.00 C ATOM 484 CG ASP A 30 8.929 6.159 -18.562 1.00 0.00 C ATOM 485 OD1 ASP A 30 9.613 5.297 -19.161 1.00 0.00 O ATOM 486 OD2 ASP A 30 9.437 7.031 -17.824 1.00 0.00 O1- ATOM 0 H ASP A 30 4.976 5.852 -18.789 1.00 0.00 H new ATOM 0 HA ASP A 30 7.143 4.084 -18.260 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.206 6.032 -19.818 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.025 7.122 -18.458 1.00 0.00 H new ATOM 491 N SER A 31 6.354 6.249 -15.906 1.00 0.00 N ATOM 492 CA SER A 31 6.477 6.546 -14.488 1.00 0.00 C ATOM 493 C SER A 31 5.814 5.460 -13.639 1.00 0.00 C ATOM 494 O SER A 31 6.240 5.186 -12.515 1.00 0.00 O ATOM 495 CB SER A 31 5.873 7.913 -14.179 1.00 0.00 C ATOM 496 OG SER A 31 6.452 8.916 -15.004 1.00 0.00 O ATOM 0 H SER A 31 5.745 6.890 -16.414 1.00 0.00 H new ATOM 0 HA SER A 31 7.537 6.567 -14.235 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.795 7.884 -14.336 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.036 8.159 -13.130 1.00 0.00 H new ATOM 0 HG SER A 31 6.206 8.753 -15.938 1.00 0.00 H new ATOM 502 N LEU A 32 4.780 4.838 -14.197 1.00 0.00 N ATOM 503 CA LEU A 32 4.008 3.817 -13.493 1.00 0.00 C ATOM 504 C LEU A 32 4.903 2.644 -13.071 1.00 0.00 C ATOM 505 O LEU A 32 4.756 2.106 -11.973 1.00 0.00 O ATOM 506 CB LEU A 32 2.880 3.311 -14.402 1.00 0.00 C ATOM 507 CG LEU A 32 1.802 2.461 -13.732 1.00 0.00 C ATOM 508 CD1 LEU A 32 0.979 3.305 -12.776 1.00 0.00 C ATOM 509 CD2 LEU A 32 0.907 1.815 -14.777 1.00 0.00 C ATOM 0 H LEU A 32 4.454 5.025 -15.145 1.00 0.00 H new ATOM 0 HA LEU A 32 3.584 4.262 -12.593 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.399 4.174 -14.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.325 2.727 -15.207 1.00 0.00 H new ATOM 0 HG LEU A 32 2.291 1.671 -13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.216 2.684 -12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.629 3.723 -12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.500 4.115 -13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.145 1.213 -14.282 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.426 2.590 -15.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.507 1.178 -15.426 1.00 0.00 H new ATOM 521 N GLU A 33 5.839 2.273 -13.938 1.00 0.00 N ATOM 522 CA GLU A 33 6.775 1.183 -13.651 1.00 0.00 C ATOM 523 C GLU A 33 7.659 1.509 -12.443 1.00 0.00 C ATOM 524 O GLU A 33 7.932 0.647 -11.610 1.00 0.00 O ATOM 525 CB GLU A 33 7.654 0.905 -14.871 1.00 0.00 C ATOM 526 CG GLU A 33 6.931 0.231 -16.022 1.00 0.00 C ATOM 527 CD GLU A 33 6.506 -1.182 -15.688 1.00 0.00 C ATOM 528 OE1 GLU A 33 7.384 -2.048 -15.539 1.00 0.00 O ATOM 529 OE2 GLU A 33 5.290 -1.436 -15.591 1.00 0.00 O1- ATOM 0 H GLU A 33 5.973 2.711 -14.850 1.00 0.00 H new ATOM 0 HA GLU A 33 6.187 0.295 -13.416 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.074 1.847 -15.223 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.491 0.277 -14.566 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.052 0.818 -16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.582 0.215 -16.896 1.00 0.00 H new ATOM 536 N GLN A 34 8.083 2.763 -12.348 1.00 0.00 N ATOM 537 CA GLN A 34 8.969 3.203 -11.268 1.00 0.00 C ATOM 538 C GLN A 34 8.303 3.066 -9.904 1.00 0.00 C ATOM 539 O GLN A 34 8.936 2.639 -8.935 1.00 0.00 O ATOM 540 CB GLN A 34 9.405 4.650 -11.497 1.00 0.00 C ATOM 541 CG GLN A 34 10.237 4.843 -12.752 1.00 0.00 C ATOM 542 CD GLN A 34 11.572 4.125 -12.686 1.00 0.00 C ATOM 543 OE1 GLN A 34 12.155 3.967 -11.617 1.00 0.00 O ATOM 544 NE2 GLN A 34 12.061 3.686 -13.823 1.00 0.00 N ATOM 0 H GLN A 34 7.828 3.499 -13.007 1.00 0.00 H new ATOM 0 HA GLN A 34 9.847 2.557 -11.277 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.519 5.282 -11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.980 4.988 -10.635 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.677 4.481 -13.614 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.409 5.908 -12.909 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.547 3.836 -14.691 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.955 3.195 -13.838 1.00 0.00 H new ATOM 553 N VAL A 35 7.025 3.413 -9.838 1.00 0.00 N ATOM 554 CA VAL A 35 6.271 3.338 -8.590 1.00 0.00 C ATOM 555 C VAL A 35 6.187 1.900 -8.097 1.00 0.00 C ATOM 556 O VAL A 35 6.241 1.647 -6.900 1.00 0.00 O ATOM 557 CB VAL A 35 4.844 3.910 -8.750 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.089 3.872 -7.429 1.00 0.00 C ATOM 559 CG2 VAL A 35 4.895 5.324 -9.287 1.00 0.00 C ATOM 0 H VAL A 35 6.486 3.750 -10.635 1.00 0.00 H new ATOM 0 HA VAL A 35 6.805 3.943 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 35 4.310 3.285 -9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.088 4.280 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.015 2.841 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.622 4.467 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.881 5.710 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.453 5.956 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.387 5.326 -10.259 1.00 0.00 H new ATOM 569 N LEU A 36 6.082 0.960 -9.030 1.00 0.00 N ATOM 570 CA LEU A 36 6.000 -0.456 -8.682 1.00 0.00 C ATOM 571 C LEU A 36 7.253 -0.888 -7.928 1.00 0.00 C ATOM 572 O LEU A 36 7.185 -1.668 -6.978 1.00 0.00 O ATOM 573 CB LEU A 36 5.824 -1.308 -9.943 1.00 0.00 C ATOM 574 CG LEU A 36 4.607 -0.972 -10.812 1.00 0.00 C ATOM 575 CD1 LEU A 36 4.581 -1.847 -12.051 1.00 0.00 C ATOM 576 CD2 LEU A 36 3.315 -1.129 -10.021 1.00 0.00 C ATOM 0 H LEU A 36 6.052 1.151 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 36 5.133 -0.604 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.721 -1.208 -10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.756 -2.354 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 36 4.690 0.069 -11.124 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.710 -1.595 -12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.488 -1.681 -12.633 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.526 -2.895 -11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.466 -0.885 -10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.224 -2.158 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.329 -0.456 -9.163 1.00 0.00 H new ATOM 588 N GLU A 37 8.392 -0.351 -8.343 1.00 0.00 N ATOM 589 CA GLU A 37 9.660 -0.640 -7.694 1.00 0.00 C ATOM 590 C GLU A 37 9.691 -0.006 -6.302 1.00 0.00 C ATOM 591 O GLU A 37 10.217 -0.590 -5.349 1.00 0.00 O ATOM 592 CB GLU A 37 10.818 -0.115 -8.545 1.00 0.00 C ATOM 593 CG GLU A 37 12.199 -0.457 -8.006 1.00 0.00 C ATOM 594 CD GLU A 37 12.446 -1.948 -7.948 1.00 0.00 C ATOM 595 OE1 GLU A 37 12.468 -2.589 -9.019 1.00 0.00 O ATOM 596 OE2 GLU A 37 12.634 -2.485 -6.833 1.00 0.00 O1- ATOM 0 H GLU A 37 8.462 0.292 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 37 9.768 -1.720 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.724 -0.519 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.731 0.968 -8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.957 0.009 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.310 -0.035 -7.007 1.00 0.00 H new ATOM 603 N GLU A 38 9.115 1.190 -6.192 1.00 0.00 N ATOM 604 CA GLU A 38 9.051 1.899 -4.916 1.00 0.00 C ATOM 605 C GLU A 38 8.168 1.138 -3.941 1.00 0.00 C ATOM 606 O GLU A 38 8.535 0.927 -2.783 1.00 0.00 O ATOM 607 CB GLU A 38 8.505 3.321 -5.112 1.00 0.00 C ATOM 608 CG GLU A 38 9.295 4.152 -6.102 1.00 0.00 C ATOM 609 CD GLU A 38 8.915 5.618 -6.080 1.00 0.00 C ATOM 610 OE1 GLU A 38 9.814 6.466 -6.274 1.00 0.00 O ATOM 611 OE2 GLU A 38 7.726 5.937 -5.863 1.00 0.00 O1- ATOM 0 H GLU A 38 8.686 1.688 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 38 10.060 1.967 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.470 3.259 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.496 3.832 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.358 4.055 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.139 3.757 -7.106 1.00 0.00 H new ATOM 618 N ILE A 39 7.018 0.706 -4.434 1.00 0.00 N ATOM 619 CA ILE A 39 6.064 -0.054 -3.644 1.00 0.00 C ATOM 620 C ILE A 39 6.702 -1.345 -3.138 1.00 0.00 C ATOM 621 O ILE A 39 6.473 -1.759 -1.998 1.00 0.00 O ATOM 622 CB ILE A 39 4.795 -0.398 -4.479 1.00 0.00 C ATOM 623 CG1 ILE A 39 4.073 0.881 -4.926 1.00 0.00 C ATOM 624 CG2 ILE A 39 3.847 -1.297 -3.700 1.00 0.00 C ATOM 625 CD1 ILE A 39 3.630 1.773 -3.786 1.00 0.00 C ATOM 0 H ILE A 39 6.720 0.873 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 39 5.769 0.563 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 39 5.122 -0.940 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.734 1.448 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.200 0.605 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.972 -1.518 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.355 -2.227 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.534 -0.791 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.129 2.654 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.942 1.226 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.500 2.083 -3.207 1.00 0.00 H new ATOM 637 N GLU A 40 7.528 -1.954 -3.983 1.00 0.00 N ATOM 638 CA GLU A 40 8.175 -3.217 -3.654 1.00 0.00 C ATOM 639 C GLU A 40 9.029 -3.088 -2.393 1.00 0.00 C ATOM 640 O GLU A 40 8.921 -3.904 -1.479 1.00 0.00 O ATOM 641 CB GLU A 40 9.048 -3.681 -4.826 1.00 0.00 C ATOM 642 CG GLU A 40 9.682 -5.050 -4.627 1.00 0.00 C ATOM 643 CD GLU A 40 8.662 -6.167 -4.624 1.00 0.00 C ATOM 644 OE1 GLU A 40 8.460 -6.791 -5.687 1.00 0.00 O ATOM 645 OE2 GLU A 40 8.052 -6.428 -3.564 1.00 0.00 O1- ATOM 0 H GLU A 40 7.765 -1.590 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 40 7.396 -3.956 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.441 -3.702 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.838 -2.947 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.409 -5.229 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.229 -5.060 -3.684 1.00 0.00 H new ATOM 652 N GLU A 41 9.842 -2.041 -2.324 1.00 0.00 N ATOM 653 CA GLU A 41 10.711 -1.849 -1.171 1.00 0.00 C ATOM 654 C GLU A 41 9.911 -1.491 0.058 1.00 0.00 C ATOM 655 O GLU A 41 10.115 -2.055 1.128 1.00 0.00 O ATOM 656 CB GLU A 41 11.744 -0.752 -1.415 1.00 0.00 C ATOM 657 CG GLU A 41 12.710 -0.584 -0.245 1.00 0.00 C ATOM 658 CD GLU A 41 13.571 0.648 -0.349 1.00 0.00 C ATOM 659 OE1 GLU A 41 14.436 0.700 -1.251 1.00 0.00 O ATOM 660 OE2 GLU A 41 13.405 1.561 0.488 1.00 0.00 O1- ATOM 0 H GLU A 41 9.918 -1.321 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 41 11.228 -2.796 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.309 -0.985 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.230 0.192 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.140 -0.542 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.352 -1.463 -0.185 1.00 0.00 H new ATOM 667 N LEU A 42 8.992 -0.565 -0.105 1.00 0.00 N ATOM 668 CA LEU A 42 8.225 -0.049 1.006 1.00 0.00 C ATOM 669 C LEU A 42 7.401 -1.127 1.683 1.00 0.00 C ATOM 670 O LEU A 42 7.327 -1.164 2.902 1.00 0.00 O ATOM 671 CB LEU A 42 7.357 1.114 0.555 1.00 0.00 C ATOM 672 CG LEU A 42 8.120 2.263 -0.100 1.00 0.00 C ATOM 673 CD1 LEU A 42 7.178 3.372 -0.510 1.00 0.00 C ATOM 674 CD2 LEU A 42 9.205 2.792 0.830 1.00 0.00 C ATOM 0 H LEU A 42 8.756 -0.151 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 42 8.930 0.316 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.612 0.742 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.815 1.501 1.418 1.00 0.00 H new ATOM 0 HG LEU A 42 8.601 1.879 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.746 4.179 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.449 2.985 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.659 3.753 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.735 3.610 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.750 3.154 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.907 1.991 1.062 1.00 0.00 H new ATOM 686 N ILE A 43 6.799 -2.013 0.904 1.00 0.00 N ATOM 687 CA ILE A 43 6.023 -3.101 1.488 1.00 0.00 C ATOM 688 C ILE A 43 6.933 -4.056 2.265 1.00 0.00 C ATOM 689 O ILE A 43 6.631 -4.423 3.399 1.00 0.00 O ATOM 690 CB ILE A 43 5.212 -3.894 0.428 1.00 0.00 C ATOM 691 CG1 ILE A 43 4.157 -2.992 -0.222 1.00 0.00 C ATOM 692 CG2 ILE A 43 4.547 -5.116 1.062 1.00 0.00 C ATOM 693 CD1 ILE A 43 3.285 -3.706 -1.237 1.00 0.00 C ATOM 0 H ILE A 43 6.830 -2.004 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 43 5.308 -2.641 2.170 1.00 0.00 H new ATOM 0 HB ILE A 43 5.901 -4.238 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.522 -2.571 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.658 -2.156 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.983 -5.658 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.312 -5.769 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.871 -4.793 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.563 -3.004 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.909 -4.103 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.755 -4.525 -0.750 1.00 0.00 H new ATOM 705 N GLN A 44 8.060 -4.430 1.659 1.00 0.00 N ATOM 706 CA GLN A 44 9.015 -5.338 2.302 1.00 0.00 C ATOM 707 C GLN A 44 9.610 -4.701 3.558 1.00 0.00 C ATOM 708 O GLN A 44 9.768 -5.356 4.592 1.00 0.00 O ATOM 709 CB GLN A 44 10.142 -5.712 1.333 1.00 0.00 C ATOM 710 CG GLN A 44 9.674 -6.437 0.081 1.00 0.00 C ATOM 711 CD GLN A 44 10.808 -6.711 -0.893 1.00 0.00 C ATOM 712 OE1 GLN A 44 11.790 -5.964 -0.953 1.00 0.00 O ATOM 713 NE2 GLN A 44 10.679 -7.771 -1.667 1.00 0.00 N ATOM 0 H GLN A 44 8.335 -4.120 0.727 1.00 0.00 H new ATOM 0 HA GLN A 44 8.475 -6.241 2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.668 -4.804 1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.862 -6.342 1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.208 -7.380 0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.909 -5.840 -0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.853 -8.363 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.406 -7.998 -2.346 1.00 0.00 H new ATOM 722 N LYS A 45 9.931 -3.423 3.459 1.00 0.00 N ATOM 723 CA LYS A 45 10.522 -2.686 4.562 1.00 0.00 C ATOM 724 C LYS A 45 9.502 -2.475 5.682 1.00 0.00 C ATOM 725 O LYS A 45 9.811 -2.679 6.857 1.00 0.00 O ATOM 726 CB LYS A 45 11.079 -1.347 4.054 1.00 0.00 C ATOM 727 CG LYS A 45 11.910 -0.576 5.070 1.00 0.00 C ATOM 728 CD LYS A 45 12.745 0.511 4.394 1.00 0.00 C ATOM 729 CE LYS A 45 11.876 1.529 3.668 1.00 0.00 C ATOM 730 NZ LYS A 45 12.688 2.526 2.922 1.00 0.00 N ATOM 0 H LYS A 45 9.790 -2.868 2.615 1.00 0.00 H new ATOM 0 HA LYS A 45 11.346 -3.267 4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.691 -1.535 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.246 -0.720 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.253 -0.124 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.567 -1.264 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.352 1.020 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.434 0.051 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.213 1.011 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.243 2.045 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.060 3.239 2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.351 2.992 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.222 2.046 2.170 1.00 0.00 H new ATOM 744 N HIS A 46 8.281 -2.096 5.311 1.00 0.00 N ATOM 745 CA HIS A 46 7.217 -1.886 6.289 1.00 0.00 C ATOM 746 C HIS A 46 6.864 -3.199 6.973 1.00 0.00 C ATOM 747 O HIS A 46 6.620 -3.233 8.171 1.00 0.00 O ATOM 748 CB HIS A 46 5.969 -1.285 5.622 1.00 0.00 C ATOM 749 CG HIS A 46 4.864 -0.948 6.582 1.00 0.00 C ATOM 750 ND1 HIS A 46 3.703 -1.681 6.709 1.00 0.00 N ATOM 751 CD2 HIS A 46 4.758 0.072 7.470 1.00 0.00 C ATOM 752 CE1 HIS A 46 2.947 -1.095 7.646 1.00 0.00 C ATOM 753 NE2 HIS A 46 3.542 -0.028 8.140 1.00 0.00 N ATOM 0 H HIS A 46 8.005 -1.929 4.343 1.00 0.00 H new ATOM 0 HA HIS A 46 7.578 -1.181 7.038 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.257 -0.382 5.084 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.591 -1.990 4.882 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.500 0.840 7.632 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.976 -1.451 7.957 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.185 0.596 8.864 1.00 0.00 H new ATOM 761 N ARG A 47 6.861 -4.280 6.201 1.00 0.00 N ATOM 762 CA ARG A 47 6.557 -5.603 6.730 1.00 0.00 C ATOM 763 C ARG A 47 7.559 -5.993 7.810 1.00 0.00 C ATOM 764 O ARG A 47 7.177 -6.504 8.855 1.00 0.00 O ATOM 765 CB ARG A 47 6.555 -6.641 5.592 1.00 0.00 C ATOM 766 CG ARG A 47 6.562 -8.098 6.049 1.00 0.00 C ATOM 767 CD ARG A 47 5.347 -8.446 6.899 1.00 0.00 C ATOM 768 NE ARG A 47 5.407 -9.830 7.364 1.00 0.00 N ATOM 769 CZ ARG A 47 5.036 -10.244 8.578 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.482 -9.398 9.440 1.00 0.00 N ATOM 771 NH2 ARG A 47 5.201 -11.517 8.918 1.00 0.00 N ATOM 0 H ARG A 47 7.067 -4.265 5.202 1.00 0.00 H new ATOM 0 HA ARG A 47 5.565 -5.578 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.675 -6.475 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.428 -6.469 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.590 -8.750 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.470 -8.292 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.294 -7.774 7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.438 -8.294 6.318 1.00 0.00 H new ATOM 0 HE ARG A 47 5.758 -10.532 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.337 -8.423 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.202 -9.723 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.610 -12.174 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.919 -11.838 9.844 1.00 0.00 H new ATOM 785 N GLN A 48 8.830 -5.719 7.564 1.00 0.00 N ATOM 786 CA GLN A 48 9.876 -6.044 8.520 1.00 0.00 C ATOM 787 C GLN A 48 9.726 -5.213 9.793 1.00 0.00 C ATOM 788 O GLN A 48 9.801 -5.739 10.902 1.00 0.00 O ATOM 789 CB GLN A 48 11.248 -5.797 7.897 1.00 0.00 C ATOM 790 CG GLN A 48 12.409 -6.080 8.832 1.00 0.00 C ATOM 791 CD GLN A 48 13.745 -5.736 8.213 1.00 0.00 C ATOM 792 OE1 GLN A 48 13.921 -5.819 6.996 1.00 0.00 O ATOM 793 NE2 GLN A 48 14.692 -5.349 9.039 1.00 0.00 N ATOM 0 H GLN A 48 9.162 -5.272 6.710 1.00 0.00 H new ATOM 0 HA GLN A 48 9.784 -7.098 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.350 -6.420 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.305 -4.760 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.279 -5.508 9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.401 -7.134 9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.504 -5.294 10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.614 -5.104 8.679 1.00 0.00 H new ATOM 802 N LEU A 49 9.482 -3.923 9.624 1.00 0.00 N ATOM 803 CA LEU A 49 9.336 -3.026 10.759 1.00 0.00 C ATOM 804 C LEU A 49 8.079 -3.345 11.551 1.00 0.00 C ATOM 805 O LEU A 49 8.118 -3.442 12.775 1.00 0.00 O ATOM 806 CB LEU A 49 9.316 -1.567 10.300 1.00 0.00 C ATOM 807 CG LEU A 49 10.598 -1.060 9.632 1.00 0.00 C ATOM 808 CD1 LEU A 49 10.434 0.383 9.198 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.788 -1.200 10.573 1.00 0.00 C ATOM 0 H LEU A 49 9.381 -3.474 8.713 1.00 0.00 H new ATOM 0 HA LEU A 49 10.197 -3.174 11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.489 -1.437 9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.106 -0.937 11.164 1.00 0.00 H new ATOM 0 HG LEU A 49 10.787 -1.669 8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.354 0.728 8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.611 0.458 8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.219 1.003 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.688 -0.834 10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.608 -0.617 11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.921 -2.249 10.838 1.00 0.00 H new ATOM 821 N PHE A 50 6.972 -3.526 10.844 1.00 0.00 N ATOM 822 CA PHE A 50 5.694 -3.822 11.476 1.00 0.00 C ATOM 823 C PHE A 50 5.756 -5.166 12.197 1.00 0.00 C ATOM 824 O PHE A 50 5.200 -5.322 13.284 1.00 0.00 O ATOM 825 CB PHE A 50 4.575 -3.823 10.429 1.00 0.00 C ATOM 826 CG PHE A 50 3.192 -3.688 11.002 1.00 0.00 C ATOM 827 CD1 PHE A 50 2.694 -2.442 11.348 1.00 0.00 C ATOM 828 CD2 PHE A 50 2.387 -4.799 11.185 1.00 0.00 C ATOM 829 CE1 PHE A 50 1.421 -2.307 11.866 1.00 0.00 C ATOM 830 CE2 PHE A 50 1.113 -4.671 11.704 1.00 0.00 C ATOM 831 CZ PHE A 50 0.630 -3.423 12.044 1.00 0.00 C ATOM 0 H PHE A 50 6.934 -3.473 9.826 1.00 0.00 H new ATOM 0 HA PHE A 50 5.479 -3.048 12.213 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.747 -3.005 9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.630 -4.749 9.857 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.309 -1.565 11.211 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.759 -5.777 10.919 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.046 -1.330 12.131 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.496 -5.546 11.844 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.366 -3.321 12.449 1.00 0.00 H new ATOM 841 N ASP A 51 6.454 -6.129 11.594 1.00 0.00 N ATOM 842 CA ASP A 51 6.615 -7.453 12.195 1.00 0.00 C ATOM 843 C ASP A 51 7.384 -7.361 13.500 1.00 0.00 C ATOM 844 O ASP A 51 7.061 -8.039 14.462 1.00 0.00 O ATOM 845 CB ASP A 51 7.336 -8.409 11.238 1.00 0.00 C ATOM 846 CG ASP A 51 7.619 -9.764 11.867 1.00 0.00 C ATOM 847 OD1 ASP A 51 8.737 -9.965 12.378 1.00 0.00 O ATOM 848 OD2 ASP A 51 6.720 -10.631 11.858 1.00 0.00 O1- ATOM 0 H ASP A 51 6.916 -6.017 10.692 1.00 0.00 H new ATOM 0 HA ASP A 51 5.618 -7.846 12.396 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.729 -8.548 10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.275 -7.958 10.919 1.00 0.00 H new ATOM 853 N ASN A 52 8.397 -6.507 13.530 1.00 0.00 N ATOM 854 CA ASN A 52 9.210 -6.332 14.731 1.00 0.00 C ATOM 855 C ASN A 52 8.458 -5.556 15.804 1.00 0.00 C ATOM 856 O ASN A 52 8.803 -5.622 16.983 1.00 0.00 O ATOM 857 CB ASN A 52 10.531 -5.632 14.408 1.00 0.00 C ATOM 858 CG ASN A 52 11.462 -6.466 13.542 1.00 0.00 C ATOM 859 OD1 ASN A 52 12.267 -5.927 12.787 1.00 0.00 O ATOM 860 ND2 ASN A 52 11.365 -7.779 13.647 1.00 0.00 N ATOM 0 H ASN A 52 8.677 -5.925 12.741 1.00 0.00 H new ATOM 0 HA ASN A 52 9.429 -7.327 15.117 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.320 -4.691 13.900 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.039 -5.384 15.340 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.971 -8.381 13.090 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.684 -8.191 14.285 1.00 0.00 H new ATOM 867 N ARG A 53 7.432 -4.820 15.394 1.00 0.00 N ATOM 868 CA ARG A 53 6.621 -4.054 16.335 1.00 0.00 C ATOM 869 C ARG A 53 5.739 -4.983 17.156 1.00 0.00 C ATOM 870 O ARG A 53 5.336 -4.653 18.270 1.00 0.00 O ATOM 871 CB ARG A 53 5.746 -3.024 15.608 1.00 0.00 C ATOM 872 CG ARG A 53 6.511 -1.942 14.850 1.00 0.00 C ATOM 873 CD ARG A 53 7.441 -1.142 15.759 1.00 0.00 C ATOM 874 NE ARG A 53 8.739 -1.799 15.947 1.00 0.00 N ATOM 875 CZ ARG A 53 9.300 -2.053 17.133 1.00 0.00 C ATOM 876 NH1 ARG A 53 8.655 -1.754 18.260 1.00 0.00 N ATOM 877 NH2 ARG A 53 10.500 -2.617 17.189 1.00 0.00 N ATOM 0 H ARG A 53 7.142 -4.737 14.420 1.00 0.00 H new ATOM 0 HA ARG A 53 7.302 -3.522 16.999 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.101 -3.551 14.905 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.096 -2.543 16.339 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.095 -2.404 14.054 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.802 -1.265 14.374 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.597 -0.151 15.333 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.964 -1.001 16.729 1.00 0.00 H new ATOM 0 HE ARG A 53 9.251 -2.083 15.111 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.729 -1.329 18.220 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.088 -1.950 19.163 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.992 -2.856 16.328 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.930 -2.812 18.093 1.00 0.00 H new ATOM 891 N GLN A 54 5.443 -6.138 16.595 1.00 0.00 N ATOM 892 CA GLN A 54 4.593 -7.116 17.246 1.00 0.00 C ATOM 893 C GLN A 54 5.216 -8.505 17.143 1.00 0.00 C ATOM 894 O GLN A 54 6.430 -8.642 16.989 1.00 0.00 O ATOM 895 CB GLN A 54 3.207 -7.119 16.581 1.00 0.00 C ATOM 896 CG GLN A 54 3.235 -7.485 15.100 1.00 0.00 C ATOM 897 CD GLN A 54 1.851 -7.689 14.523 1.00 0.00 C ATOM 898 OE1 GLN A 54 1.231 -6.760 14.025 1.00 0.00 O ATOM 899 NE2 GLN A 54 1.359 -8.910 14.592 1.00 0.00 N ATOM 0 H GLN A 54 5.784 -6.425 15.677 1.00 0.00 H new ATOM 0 HA GLN A 54 4.490 -6.852 18.299 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.563 -7.824 17.108 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.758 -6.132 16.693 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.743 -6.697 14.545 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.818 -8.396 14.966 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.908 -9.658 15.015 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.429 -9.107 14.222 1.00 0.00 H new ATOM 908 N GLU A 55 4.390 -9.519 17.277 1.00 0.00 N ATOM 909 CA GLU A 55 4.805 -10.887 17.082 1.00 0.00 C ATOM 910 C GLU A 55 3.631 -11.697 16.556 1.00 0.00 C ATOM 911 O GLU A 55 2.535 -11.655 17.122 1.00 0.00 O ATOM 912 CB GLU A 55 5.366 -11.499 18.374 1.00 0.00 C ATOM 913 CG GLU A 55 4.450 -11.389 19.578 1.00 0.00 C ATOM 914 CD GLU A 55 4.982 -12.145 20.768 1.00 0.00 C ATOM 915 OE1 GLU A 55 4.509 -13.269 21.019 1.00 0.00 O ATOM 916 OE2 GLU A 55 5.882 -11.628 21.455 1.00 0.00 O1- ATOM 0 H GLU A 55 3.406 -9.415 17.526 1.00 0.00 H new ATOM 0 HA GLU A 55 5.612 -10.907 16.350 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.585 -12.552 18.196 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.313 -11.012 18.609 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.325 -10.339 19.843 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.463 -11.772 19.318 1.00 0.00 H new ATOM 923 N ALA A 56 3.843 -12.388 15.456 1.00 0.00 N ATOM 924 CA ALA A 56 2.795 -13.180 14.837 1.00 0.00 C ATOM 925 C ALA A 56 3.395 -14.252 13.950 1.00 0.00 C ATOM 926 O ALA A 56 4.590 -14.210 13.634 1.00 0.00 O ATOM 927 CB ALA A 56 1.866 -12.284 14.029 1.00 0.00 C ATOM 0 H ALA A 56 4.738 -12.419 14.967 1.00 0.00 H new ATOM 0 HA ALA A 56 2.217 -13.666 15.623 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.085 -12.890 13.570 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.411 -11.543 14.687 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.436 -11.777 13.251 1.00 0.00 H new ATOM 933 N ALA A 57 2.578 -15.201 13.543 1.00 0.00 N ATOM 934 CA ALA A 57 3.039 -16.286 12.697 1.00 0.00 C ATOM 935 C ALA A 57 2.888 -15.934 11.223 1.00 0.00 C ATOM 936 O ALA A 57 2.210 -14.964 10.868 1.00 0.00 O ATOM 937 CB ALA A 57 2.288 -17.568 13.015 1.00 0.00 C ATOM 0 H ALA A 57 1.588 -15.244 13.784 1.00 0.00 H new ATOM 0 HA ALA A 57 4.098 -16.443 12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.648 -18.370 12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.455 -17.838 14.058 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.222 -17.417 12.845 1.00 0.00 H new ATOM 943 N ASP A 58 3.503 -16.739 10.370 1.00 0.00 N ATOM 944 CA ASP A 58 3.461 -16.526 8.926 1.00 0.00 C ATOM 945 C ASP A 58 2.056 -16.723 8.388 1.00 0.00 C ATOM 946 O ASP A 58 1.696 -16.161 7.362 1.00 0.00 O ATOM 947 CB ASP A 58 4.442 -17.465 8.212 1.00 0.00 C ATOM 948 CG ASP A 58 4.203 -18.922 8.544 1.00 0.00 C ATOM 949 OD1 ASP A 58 4.539 -19.337 9.670 1.00 0.00 O ATOM 950 OD2 ASP A 58 3.685 -19.661 7.682 1.00 0.00 O1- ATOM 0 H ASP A 58 4.044 -17.556 10.655 1.00 0.00 H new ATOM 0 HA ASP A 58 3.760 -15.496 8.730 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.355 -17.323 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.462 -17.196 8.488 1.00 0.00 H new ATOM 955 N THR A 59 1.265 -17.514 9.094 1.00 0.00 N ATOM 956 CA THR A 59 -0.114 -17.759 8.714 1.00 0.00 C ATOM 957 C THR A 59 -0.909 -16.451 8.722 1.00 0.00 C ATOM 958 O THR A 59 -1.689 -16.175 7.810 1.00 0.00 O ATOM 959 CB THR A 59 -0.766 -18.751 9.689 1.00 0.00 C ATOM 960 OG1 THR A 59 0.098 -19.882 9.865 1.00 0.00 O ATOM 961 CG2 THR A 59 -2.114 -19.219 9.164 1.00 0.00 C ATOM 0 H THR A 59 1.559 -18.001 9.941 1.00 0.00 H new ATOM 0 HA THR A 59 -0.121 -18.180 7.709 1.00 0.00 H new ATOM 0 HB THR A 59 -0.922 -18.249 10.644 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.315 -20.516 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.556 -19.921 9.871 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.775 -18.361 9.043 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.978 -19.712 8.201 1.00 0.00 H new ATOM 969 N GLU A 60 -0.674 -15.642 9.745 1.00 0.00 N ATOM 970 CA GLU A 60 -1.347 -14.362 9.894 1.00 0.00 C ATOM 971 C GLU A 60 -0.891 -13.393 8.806 1.00 0.00 C ATOM 972 O GLU A 60 -1.695 -12.652 8.236 1.00 0.00 O ATOM 973 CB GLU A 60 -1.055 -13.787 11.283 1.00 0.00 C ATOM 974 CG GLU A 60 -1.543 -14.676 12.420 1.00 0.00 C ATOM 975 CD GLU A 60 -0.996 -14.264 13.772 1.00 0.00 C ATOM 976 OE1 GLU A 60 -1.438 -13.228 14.310 1.00 0.00 O ATOM 977 OE2 GLU A 60 -0.123 -14.987 14.311 1.00 0.00 O1- ATOM 0 H GLU A 60 -0.013 -15.854 10.492 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.422 -14.508 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.019 -13.634 11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.526 -12.808 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.632 -14.650 12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.255 -15.707 12.217 1.00 0.00 H new ATOM 984 N ALA A 61 0.399 -13.428 8.508 1.00 0.00 N ATOM 985 CA ALA A 61 0.979 -12.563 7.492 1.00 0.00 C ATOM 986 C ALA A 61 0.499 -12.941 6.095 1.00 0.00 C ATOM 987 O ALA A 61 0.178 -12.071 5.285 1.00 0.00 O ATOM 988 CB ALA A 61 2.493 -12.626 7.558 1.00 0.00 C ATOM 0 H ALA A 61 1.068 -14.051 8.959 1.00 0.00 H new ATOM 0 HA ALA A 61 0.651 -11.543 7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.918 -11.975 6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.828 -12.297 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.822 -13.651 7.386 1.00 0.00 H new ATOM 994 N ALA A 62 0.438 -14.240 5.825 1.00 0.00 N ATOM 995 CA ALA A 62 0.025 -14.739 4.520 1.00 0.00 C ATOM 996 C ALA A 62 -1.403 -14.328 4.196 1.00 0.00 C ATOM 997 O ALA A 62 -1.695 -13.914 3.077 1.00 0.00 O ATOM 998 CB ALA A 62 0.167 -16.254 4.461 1.00 0.00 C ATOM 0 H ALA A 62 0.671 -14.970 6.498 1.00 0.00 H new ATOM 0 HA ALA A 62 0.679 -14.294 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.146 -16.611 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.208 -16.529 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.459 -16.708 5.229 1.00 0.00 H new ATOM 1004 N LYS A 63 -2.286 -14.430 5.180 1.00 0.00 N ATOM 1005 CA LYS A 63 -3.684 -14.066 4.987 1.00 0.00 C ATOM 1006 C LYS A 63 -3.841 -12.562 4.808 1.00 0.00 C ATOM 1007 O LYS A 63 -4.595 -12.105 3.941 1.00 0.00 O ATOM 1008 CB LYS A 63 -4.535 -14.546 6.160 1.00 0.00 C ATOM 1009 CG LYS A 63 -4.556 -16.052 6.318 1.00 0.00 C ATOM 1010 CD LYS A 63 -5.467 -16.481 7.451 1.00 0.00 C ATOM 1011 CE LYS A 63 -5.491 -17.992 7.594 1.00 0.00 C ATOM 1012 NZ LYS A 63 -5.943 -18.658 6.347 1.00 0.00 N ATOM 0 H LYS A 63 -2.060 -14.761 6.118 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.031 -14.558 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.157 -14.098 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.556 -14.189 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.890 -16.511 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.545 -16.413 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.129 -16.030 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.477 -16.114 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.494 -18.348 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.153 -18.269 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.189 -19.647 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.778 -18.164 5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.179 -18.630 5.642 1.00 0.00 H new ATOM 1026 N GLN A 64 -3.120 -11.797 5.619 1.00 0.00 N ATOM 1027 CA GLN A 64 -3.184 -10.347 5.552 1.00 0.00 C ATOM 1028 C GLN A 64 -2.613 -9.857 4.225 1.00 0.00 C ATOM 1029 O GLN A 64 -3.175 -8.968 3.580 1.00 0.00 O ATOM 1030 CB GLN A 64 -2.414 -9.728 6.722 1.00 0.00 C ATOM 1031 CG GLN A 64 -2.764 -8.272 6.993 1.00 0.00 C ATOM 1032 CD GLN A 64 -4.216 -8.094 7.404 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -4.821 -8.990 7.997 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -4.781 -6.944 7.101 1.00 0.00 N ATOM 0 H GLN A 64 -2.485 -12.159 6.330 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.227 -10.038 5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.610 -10.311 7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.345 -9.803 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.116 -7.885 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.567 -7.681 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.247 -6.227 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.753 -6.770 7.358 1.00 0.00 H new ATOM 1043 N GLY A 65 -1.500 -10.457 3.819 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.877 -10.100 2.565 1.00 0.00 C ATOM 1045 C GLY A 65 -1.726 -10.500 1.381 1.00 0.00 C ATOM 1046 O GLY A 65 -1.794 -9.781 0.392 1.00 0.00 O ATOM 0 H GLY A 65 -1.018 -11.188 4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.702 -9.024 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.097 -10.583 2.493 1.00 0.00 H new ATOM 1050 N ASP A 66 -2.398 -11.641 1.501 1.00 0.00 N ATOM 1051 CA ASP A 66 -3.263 -12.155 0.435 1.00 0.00 C ATOM 1052 C ASP A 66 -4.387 -11.180 0.135 1.00 0.00 C ATOM 1053 O ASP A 66 -4.717 -10.937 -1.023 1.00 0.00 O ATOM 1054 CB ASP A 66 -3.844 -13.517 0.838 1.00 0.00 C ATOM 1055 CG ASP A 66 -4.913 -14.018 -0.113 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -4.562 -14.502 -1.208 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -6.111 -13.957 0.247 1.00 0.00 O1- ATOM 0 H ASP A 66 -2.362 -12.233 2.331 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.661 -12.275 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.037 -14.249 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.265 -13.442 1.840 1.00 0.00 H new ATOM 1062 N GLN A 67 -4.950 -10.604 1.183 1.00 0.00 N ATOM 1063 CA GLN A 67 -6.030 -9.643 1.038 1.00 0.00 C ATOM 1064 C GLN A 67 -5.526 -8.374 0.349 1.00 0.00 C ATOM 1065 O GLN A 67 -6.200 -7.812 -0.517 1.00 0.00 O ATOM 1066 CB GLN A 67 -6.618 -9.300 2.407 1.00 0.00 C ATOM 1067 CG GLN A 67 -7.814 -8.365 2.347 1.00 0.00 C ATOM 1068 CD GLN A 67 -8.291 -7.945 3.719 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -7.506 -7.849 4.661 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -9.579 -7.695 3.845 1.00 0.00 N ATOM 0 H GLN A 67 -4.675 -10.786 2.148 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.810 -10.088 0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.915 -10.223 2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.842 -8.842 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.549 -7.478 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.630 -8.857 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.197 -7.786 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.957 -7.410 4.748 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.331 -7.940 0.729 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.734 -6.750 0.170 1.00 0.00 C ATOM 1081 C TRP A 68 -3.372 -6.964 -1.303 1.00 0.00 C ATOM 1082 O TRP A 68 -3.676 -6.128 -2.159 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.502 -6.365 0.985 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.796 -5.163 0.470 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.657 -5.150 -0.264 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.185 -3.798 0.643 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.302 -3.857 -0.561 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.228 -3.007 -0.014 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.252 -3.168 1.290 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.303 -1.620 -0.042 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.325 -1.791 1.261 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.356 -1.031 0.598 1.00 0.00 C ATOM 0 H TRP A 68 -3.756 -8.406 1.431 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.456 -5.935 0.216 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.802 -6.185 2.017 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.808 -7.206 0.997 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.108 -6.028 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.517 -3.575 -1.100 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.005 -3.748 1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.556 -1.029 -0.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.143 -1.292 1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.442 0.046 0.592 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.736 -8.093 -1.589 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.349 -8.436 -2.952 1.00 0.00 C ATOM 1105 C VAL A 69 -3.579 -8.592 -3.839 1.00 0.00 C ATOM 1106 O VAL A 69 -3.577 -8.173 -4.992 1.00 0.00 O ATOM 1107 CB VAL A 69 -1.492 -9.729 -2.999 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.212 -10.149 -4.437 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.184 -9.520 -2.252 1.00 0.00 C ATOM 0 H VAL A 69 -2.476 -8.790 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.739 -7.615 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.056 -10.526 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.610 -11.058 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.155 -10.337 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.671 -9.354 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.408 -10.434 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.373 -8.706 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.395 -9.270 -1.212 1.00 0.00 H new ATOM 1119 N GLN A 70 -4.636 -9.172 -3.283 1.00 0.00 N ATOM 1120 CA GLN A 70 -5.879 -9.381 -4.017 1.00 0.00 C ATOM 1121 C GLN A 70 -6.477 -8.039 -4.447 1.00 0.00 C ATOM 1122 O GLN A 70 -6.985 -7.901 -5.566 1.00 0.00 O ATOM 1123 CB GLN A 70 -6.874 -10.148 -3.144 1.00 0.00 C ATOM 1124 CG GLN A 70 -8.175 -10.501 -3.839 1.00 0.00 C ATOM 1125 CD GLN A 70 -9.115 -11.280 -2.941 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -9.123 -11.104 -1.721 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -9.902 -12.152 -3.531 1.00 0.00 N ATOM 0 H GLN A 70 -4.657 -9.508 -2.320 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.666 -9.966 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.401 -11.066 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.099 -9.551 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.667 -9.586 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.960 -11.088 -4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.866 -12.268 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.549 -12.712 -2.976 1.00 0.00 H new ATOM 1136 N LEU A 71 -6.396 -7.054 -3.561 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.888 -5.720 -3.843 1.00 0.00 C ATOM 1138 C LEU A 71 -6.111 -5.117 -5.021 1.00 0.00 C ATOM 1139 O LEU A 71 -6.701 -4.591 -5.970 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.721 -4.846 -2.589 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.701 -3.678 -2.428 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -7.544 -3.045 -1.054 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -7.505 -2.628 -3.515 1.00 0.00 C ATOM 0 H LEU A 71 -5.989 -7.161 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.944 -5.765 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.810 -5.488 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.708 -4.443 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.711 -4.076 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.246 -2.217 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.748 -3.790 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.526 -2.674 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.217 -1.816 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.490 -2.235 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.668 -3.082 -4.493 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.790 -5.231 -4.963 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.923 -4.694 -6.005 1.00 0.00 C ATOM 1157 C PHE A 72 -4.090 -5.472 -7.309 1.00 0.00 C ATOM 1158 O PHE A 72 -4.051 -4.895 -8.400 1.00 0.00 O ATOM 1159 CB PHE A 72 -2.458 -4.725 -5.547 1.00 0.00 C ATOM 1160 CG PHE A 72 -1.493 -4.131 -6.541 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -1.373 -2.756 -6.673 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -0.708 -4.948 -7.341 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -0.489 -2.207 -7.582 1.00 0.00 C ATOM 1164 CE2 PHE A 72 0.177 -4.404 -8.253 1.00 0.00 C ATOM 1165 CZ PHE A 72 0.287 -3.032 -8.373 1.00 0.00 C ATOM 0 H PHE A 72 -4.293 -5.693 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.212 -3.659 -6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.371 -4.185 -4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.171 -5.758 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.978 -2.106 -6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.789 -6.021 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.405 -1.134 -7.674 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.782 -5.051 -8.871 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.979 -2.605 -9.084 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.281 -6.777 -7.190 1.00 0.00 N ATOM 1176 CA GLN A 73 -4.460 -7.634 -8.349 1.00 0.00 C ATOM 1177 C GLN A 73 -5.707 -7.231 -9.126 1.00 0.00 C ATOM 1178 O GLN A 73 -5.688 -7.173 -10.358 1.00 0.00 O ATOM 1179 CB GLN A 73 -4.535 -9.100 -7.924 1.00 0.00 C ATOM 1180 CG GLN A 73 -4.628 -10.076 -9.083 1.00 0.00 C ATOM 1181 CD GLN A 73 -4.505 -11.518 -8.642 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -3.826 -11.825 -7.659 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -5.159 -12.409 -9.356 1.00 0.00 N ATOM 0 H GLN A 73 -4.316 -7.267 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.598 -7.513 -9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.653 -9.341 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.402 -9.236 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.580 -9.937 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.842 -9.853 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.709 -12.112 -10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.116 -13.396 -9.103 1.00 0.00 H new ATOM 1192 N ARG A 74 -6.785 -6.932 -8.401 1.00 0.00 N ATOM 1193 CA ARG A 74 -8.022 -6.491 -9.035 1.00 0.00 C ATOM 1194 C ARG A 74 -7.804 -5.151 -9.729 1.00 0.00 C ATOM 1195 O ARG A 74 -8.339 -4.906 -10.809 1.00 0.00 O ATOM 1196 CB ARG A 74 -9.159 -6.370 -8.014 1.00 0.00 C ATOM 1197 CG ARG A 74 -10.487 -5.954 -8.637 1.00 0.00 C ATOM 1198 CD ARG A 74 -11.559 -5.711 -7.588 1.00 0.00 C ATOM 1199 NE ARG A 74 -12.823 -5.282 -8.197 1.00 0.00 N ATOM 1200 CZ ARG A 74 -13.678 -4.414 -7.646 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -13.424 -3.884 -6.456 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -14.789 -4.083 -8.286 1.00 0.00 N ATOM 0 H ARG A 74 -6.825 -6.987 -7.383 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.307 -7.240 -9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.287 -7.327 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.879 -5.642 -7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.343 -5.047 -9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.823 -6.730 -9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.722 -6.624 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.216 -4.951 -6.886 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.067 -5.674 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.572 -4.138 -5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.081 -3.223 -6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.992 -4.490 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.442 -3.421 -7.866 1.00 0.00 H new ATOM 1216 N PHE A 75 -7.007 -4.292 -9.099 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.683 -2.986 -9.659 1.00 0.00 C ATOM 1218 C PHE A 75 -5.956 -3.152 -10.987 1.00 0.00 C ATOM 1219 O PHE A 75 -6.279 -2.489 -11.972 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.826 -2.181 -8.667 1.00 0.00 C ATOM 1221 CG PHE A 75 -5.462 -0.797 -9.138 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -6.405 0.219 -9.144 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -4.175 -0.511 -9.567 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -6.073 1.491 -9.568 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.837 0.760 -9.994 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.787 1.762 -9.995 1.00 0.00 C ATOM 0 H PHE A 75 -6.572 -4.480 -8.196 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.608 -2.437 -9.838 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.365 -2.100 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.910 -2.735 -8.465 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.412 0.013 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.427 -1.290 -9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.818 2.273 -9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.831 0.969 -10.326 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.526 2.755 -10.329 1.00 0.00 H new ATOM 1236 N ARG A 76 -4.988 -4.057 -11.008 1.00 0.00 N ATOM 1237 CA ARG A 76 -4.230 -4.337 -12.214 1.00 0.00 C ATOM 1238 C ARG A 76 -5.143 -4.913 -13.296 1.00 0.00 C ATOM 1239 O ARG A 76 -5.074 -4.512 -14.462 1.00 0.00 O ATOM 1240 CB ARG A 76 -3.088 -5.311 -11.913 1.00 0.00 C ATOM 1241 CG ARG A 76 -2.206 -5.608 -13.113 1.00 0.00 C ATOM 1242 CD ARG A 76 -1.103 -6.590 -12.765 1.00 0.00 C ATOM 1243 NE ARG A 76 -0.232 -6.849 -13.908 1.00 0.00 N ATOM 1244 CZ ARG A 76 0.726 -7.776 -13.938 1.00 0.00 C ATOM 1245 NH1 ARG A 76 0.933 -8.562 -12.882 1.00 0.00 N ATOM 1246 NH2 ARG A 76 1.470 -7.922 -15.027 1.00 0.00 N ATOM 0 H ARG A 76 -4.710 -4.611 -10.198 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.804 -3.402 -12.578 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.472 -4.899 -11.114 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.508 -6.246 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.814 -6.014 -13.921 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.766 -4.681 -13.481 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.512 -6.196 -11.939 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.544 -7.527 -12.423 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.366 -6.280 -14.744 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.358 -8.456 -12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.667 -9.270 -12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.308 -7.326 -15.839 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.203 -8.630 -15.052 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.007 -5.846 -12.896 1.00 0.00 N ATOM 1261 CA GLU A 77 -6.948 -6.469 -13.818 1.00 0.00 C ATOM 1262 C GLU A 77 -7.893 -5.442 -14.414 1.00 0.00 C ATOM 1263 O GLU A 77 -8.170 -5.468 -15.608 1.00 0.00 O ATOM 1264 CB GLU A 77 -7.748 -7.570 -13.125 1.00 0.00 C ATOM 1265 CG GLU A 77 -6.952 -8.830 -12.848 1.00 0.00 C ATOM 1266 CD GLU A 77 -7.796 -9.926 -12.245 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -8.793 -10.340 -12.885 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -7.472 -10.394 -11.140 1.00 0.00 O1- ATOM 0 H GLU A 77 -6.072 -6.186 -11.936 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.366 -6.915 -14.625 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.137 -7.184 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.608 -7.825 -13.744 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.508 -9.187 -13.777 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.130 -8.595 -12.172 1.00 0.00 H new ATOM 1275 N ALA A 78 -8.378 -4.535 -13.582 1.00 0.00 N ATOM 1276 CA ALA A 78 -9.287 -3.500 -14.035 1.00 0.00 C ATOM 1277 C ALA A 78 -8.631 -2.624 -15.103 1.00 0.00 C ATOM 1278 O ALA A 78 -9.271 -2.248 -16.079 1.00 0.00 O ATOM 1279 CB ALA A 78 -9.774 -2.667 -12.863 1.00 0.00 C ATOM 0 H ALA A 78 -8.156 -4.496 -12.587 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.153 -3.981 -14.490 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.455 -1.896 -13.223 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.295 -3.308 -12.152 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.922 -2.198 -12.371 1.00 0.00 H new ATOM 1285 N ILE A 79 -7.347 -2.318 -14.921 1.00 0.00 N ATOM 1286 CA ILE A 79 -6.603 -1.532 -15.908 1.00 0.00 C ATOM 1287 C ILE A 79 -6.483 -2.316 -17.212 1.00 0.00 C ATOM 1288 O ILE A 79 -6.730 -1.792 -18.301 1.00 0.00 O ATOM 1289 CB ILE A 79 -5.172 -1.180 -15.410 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -5.231 -0.357 -14.122 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -4.397 -0.423 -16.489 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -3.870 -0.013 -13.551 1.00 0.00 C ATOM 0 H ILE A 79 -6.802 -2.599 -14.106 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.155 -0.605 -16.065 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.650 -2.113 -15.198 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.776 0.566 -14.317 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.799 -0.911 -13.374 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.399 -0.186 -16.121 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.317 -1.043 -17.382 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.922 0.500 -16.734 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.995 0.571 -12.639 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.329 -0.931 -13.323 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.306 0.569 -14.280 1.00 0.00 H new ATOM 1304 N ASP A 80 -6.126 -3.582 -17.080 1.00 0.00 N ATOM 1305 CA ASP A 80 -5.929 -4.466 -18.223 1.00 0.00 C ATOM 1306 C ASP A 80 -7.226 -4.678 -19.009 1.00 0.00 C ATOM 1307 O ASP A 80 -7.213 -4.732 -20.234 1.00 0.00 O ATOM 1308 CB ASP A 80 -5.374 -5.809 -17.742 1.00 0.00 C ATOM 1309 CG ASP A 80 -5.159 -6.798 -18.864 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -4.222 -6.603 -19.666 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -5.908 -7.794 -18.934 1.00 0.00 O1- ATOM 0 H ASP A 80 -5.964 -4.029 -16.178 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.215 -3.994 -18.897 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.428 -5.641 -17.228 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.061 -6.239 -17.013 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.339 -4.766 -18.301 1.00 0.00 N ATOM 1317 CA LYS A 81 -9.640 -4.995 -18.932 1.00 0.00 C ATOM 1318 C LYS A 81 -10.295 -3.676 -19.352 1.00 0.00 C ATOM 1319 O LYS A 81 -11.314 -3.667 -20.050 1.00 0.00 O ATOM 1320 CB LYS A 81 -10.554 -5.771 -17.981 1.00 0.00 C ATOM 1321 CG LYS A 81 -9.970 -7.109 -17.553 1.00 0.00 C ATOM 1322 CD LYS A 81 -10.754 -7.730 -16.412 1.00 0.00 C ATOM 1323 CE LYS A 81 -10.017 -8.927 -15.837 1.00 0.00 C ATOM 1324 NZ LYS A 81 -10.698 -9.481 -14.642 1.00 0.00 N ATOM 0 H LYS A 81 -8.374 -4.683 -17.285 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.482 -5.587 -19.834 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.746 -5.165 -17.096 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.515 -5.939 -18.467 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.964 -7.791 -18.403 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.933 -6.971 -17.248 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.916 -6.988 -15.630 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.737 -8.039 -16.767 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.936 -9.702 -16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.002 -8.633 -15.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.993 -9.905 -14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.200 -8.718 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.380 -10.209 -14.937 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.706 -2.569 -18.923 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.220 -1.261 -19.285 1.00 0.00 C ATOM 1340 C GLY A 82 -11.435 -0.853 -18.472 1.00 0.00 C ATOM 1341 O GLY A 82 -12.219 -0.003 -18.902 1.00 0.00 O ATOM 0 H GLY A 82 -8.878 -2.552 -18.328 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.434 -0.518 -19.150 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.481 -1.260 -20.343 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.588 -1.443 -17.297 1.00 0.00 N ATOM 1346 CA ASP A 83 -12.715 -1.129 -16.430 1.00 0.00 C ATOM 1347 C ASP A 83 -12.373 0.078 -15.571 1.00 0.00 C ATOM 1348 O ASP A 83 -11.852 -0.056 -14.459 1.00 0.00 O ATOM 1349 CB ASP A 83 -13.080 -2.328 -15.545 1.00 0.00 C ATOM 1350 CG ASP A 83 -14.435 -2.176 -14.864 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -14.602 -1.261 -14.032 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -15.336 -2.994 -15.140 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.947 -2.142 -16.921 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.580 -0.898 -17.051 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.085 -3.233 -16.153 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.310 -2.459 -14.785 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.642 1.253 -16.105 1.00 0.00 N ATOM 1358 CA LYS A 84 -12.329 2.503 -15.430 1.00 0.00 C ATOM 1359 C LYS A 84 -13.240 2.722 -14.231 1.00 0.00 C ATOM 1360 O LYS A 84 -12.867 3.396 -13.270 1.00 0.00 O ATOM 1361 CB LYS A 84 -12.432 3.682 -16.409 1.00 0.00 C ATOM 1362 CG LYS A 84 -13.817 3.866 -17.014 1.00 0.00 C ATOM 1363 CD LYS A 84 -13.852 5.015 -18.005 1.00 0.00 C ATOM 1364 CE LYS A 84 -15.254 5.220 -18.565 1.00 0.00 C ATOM 1365 NZ LYS A 84 -15.780 3.993 -19.222 1.00 0.00 N ATOM 0 H LYS A 84 -13.083 1.371 -17.017 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.304 2.442 -15.065 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.149 4.598 -15.890 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.712 3.536 -17.214 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.120 2.946 -17.514 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.539 4.050 -16.219 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.516 5.930 -17.517 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.158 4.816 -18.821 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.926 5.515 -17.759 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.240 6.038 -19.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.638 4.228 -19.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.060 3.609 -19.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.010 3.283 -18.498 1.00 0.00 H new ATOM 1379 N ASP A 85 -14.427 2.138 -14.286 1.00 0.00 N ATOM 1380 CA ASP A 85 -15.395 2.272 -13.209 1.00 0.00 C ATOM 1381 C ASP A 85 -14.859 1.680 -11.910 1.00 0.00 C ATOM 1382 O ASP A 85 -15.013 2.271 -10.836 1.00 0.00 O ATOM 1383 CB ASP A 85 -16.721 1.619 -13.589 1.00 0.00 C ATOM 1384 CG ASP A 85 -17.716 1.630 -12.451 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -18.248 2.711 -12.126 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -17.973 0.552 -11.876 1.00 0.00 O1- ATOM 0 H ASP A 85 -14.744 1.565 -15.068 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.569 3.336 -13.048 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.147 2.141 -14.446 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.540 0.590 -13.900 1.00 0.00 H new ATOM 1391 N SER A 86 -14.229 0.519 -12.004 1.00 0.00 N ATOM 1392 CA SER A 86 -13.634 -0.111 -10.838 1.00 0.00 C ATOM 1393 C SER A 86 -12.408 0.675 -10.388 1.00 0.00 C ATOM 1394 O SER A 86 -12.195 0.876 -9.196 1.00 0.00 O ATOM 1395 CB SER A 86 -13.250 -1.561 -11.143 1.00 0.00 C ATOM 1396 OG SER A 86 -14.361 -2.281 -11.649 1.00 0.00 O ATOM 0 H SER A 86 -14.117 -0.004 -12.873 1.00 0.00 H new ATOM 0 HA SER A 86 -14.369 -0.113 -10.033 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.437 -1.581 -11.869 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.881 -2.042 -10.237 1.00 0.00 H new ATOM 0 HG SER A 86 -14.776 -1.773 -12.377 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.634 1.150 -11.359 1.00 0.00 N ATOM 1403 CA LEU A 87 -10.411 1.907 -11.090 1.00 0.00 C ATOM 1404 C LEU A 87 -10.708 3.165 -10.285 1.00 0.00 C ATOM 1405 O LEU A 87 -10.000 3.482 -9.329 1.00 0.00 O ATOM 1406 CB LEU A 87 -9.725 2.271 -12.409 1.00 0.00 C ATOM 1407 CG LEU A 87 -9.257 1.081 -13.244 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -8.735 1.529 -14.599 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -8.190 0.317 -12.499 1.00 0.00 C ATOM 0 H LEU A 87 -11.834 1.023 -12.351 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.744 1.281 -10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.415 2.866 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.864 2.903 -12.191 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.113 0.428 -13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.410 0.659 -15.169 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.528 2.043 -15.142 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.893 2.206 -14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.862 -0.530 -13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.342 0.973 -12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.595 -0.045 -11.554 1.00 0.00 H new ATOM 1421 N GLU A 88 -11.767 3.859 -10.667 1.00 0.00 N ATOM 1422 CA GLU A 88 -12.191 5.077 -9.984 1.00 0.00 C ATOM 1423 C GLU A 88 -12.462 4.813 -8.497 1.00 0.00 C ATOM 1424 O GLU A 88 -12.013 5.568 -7.627 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.456 5.619 -10.648 1.00 0.00 C ATOM 1426 CG GLU A 88 -14.036 6.846 -9.973 1.00 0.00 C ATOM 1427 CD GLU A 88 -15.423 7.159 -10.464 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -15.596 8.157 -11.184 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.358 6.393 -10.134 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.358 3.598 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.388 5.810 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.232 5.862 -11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.212 4.833 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.060 6.689 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.386 7.701 -10.156 1.00 0.00 H new ATOM 1436 N GLN A 89 -13.189 3.740 -8.209 1.00 0.00 N ATOM 1437 CA GLN A 89 -13.492 3.392 -6.837 1.00 0.00 C ATOM 1438 C GLN A 89 -12.242 2.909 -6.120 1.00 0.00 C ATOM 1439 O GLN A 89 -12.002 3.262 -4.969 1.00 0.00 O ATOM 1440 CB GLN A 89 -14.572 2.319 -6.764 1.00 0.00 C ATOM 1441 CG GLN A 89 -15.021 2.036 -5.344 1.00 0.00 C ATOM 1442 CD GLN A 89 -15.952 0.853 -5.232 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -16.701 0.542 -6.156 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -15.916 0.186 -4.095 1.00 0.00 N ATOM 0 H GLN A 89 -13.575 3.103 -8.906 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.864 4.291 -6.345 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -15.431 2.633 -7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.195 1.399 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.143 1.858 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.520 2.920 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.280 0.477 -3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -16.525 -0.621 -3.958 1.00 0.00 H new ATOM 1453 N LEU A 90 -11.438 2.116 -6.819 1.00 0.00 N ATOM 1454 CA LEU A 90 -10.227 1.548 -6.246 1.00 0.00 C ATOM 1455 C LEU A 90 -9.252 2.629 -5.805 1.00 0.00 C ATOM 1456 O LEU A 90 -8.581 2.472 -4.799 1.00 0.00 O ATOM 1457 CB LEU A 90 -9.562 0.570 -7.218 1.00 0.00 C ATOM 1458 CG LEU A 90 -10.353 -0.716 -7.500 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -9.649 -1.561 -8.543 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.559 -1.515 -6.221 1.00 0.00 C ATOM 0 H LEU A 90 -11.606 1.852 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.520 0.991 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.388 1.085 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.585 0.296 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.331 -0.432 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.226 -2.467 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.558 -0.994 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.656 -1.831 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.121 -2.421 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.590 -1.784 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.113 -0.913 -5.501 1.00 0.00 H new ATOM 1472 N LEU A 91 -9.178 3.725 -6.556 1.00 0.00 N ATOM 1473 CA LEU A 91 -8.318 4.848 -6.168 1.00 0.00 C ATOM 1474 C LEU A 91 -8.747 5.389 -4.808 1.00 0.00 C ATOM 1475 O LEU A 91 -7.914 5.665 -3.937 1.00 0.00 O ATOM 1476 CB LEU A 91 -8.387 5.976 -7.203 1.00 0.00 C ATOM 1477 CG LEU A 91 -7.856 5.653 -8.598 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -8.005 6.862 -9.506 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -6.400 5.210 -8.534 1.00 0.00 C ATOM 0 H LEU A 91 -9.694 3.862 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.292 4.483 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.427 6.289 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.831 6.830 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.442 4.831 -9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.623 6.621 -10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.058 7.135 -9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.441 7.699 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.044 4.985 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.795 6.009 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.318 4.318 -7.912 1.00 0.00 H new ATOM 1491 N GLU A 92 -10.054 5.514 -4.632 1.00 0.00 N ATOM 1492 CA GLU A 92 -10.629 6.017 -3.397 1.00 0.00 C ATOM 1493 C GLU A 92 -10.407 5.014 -2.262 1.00 0.00 C ATOM 1494 O GLU A 92 -10.020 5.391 -1.147 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.123 6.262 -3.596 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.799 6.979 -2.446 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.298 7.017 -2.605 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -15.003 6.452 -1.742 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -14.783 7.590 -3.604 1.00 0.00 O1- ATOM 0 H GLU A 92 -10.744 5.269 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.141 6.955 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.265 6.846 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.618 5.304 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.547 6.481 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.416 7.997 -2.379 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.644 3.738 -2.561 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.460 2.659 -1.593 1.00 0.00 C ATOM 1508 C GLU A 93 -9.001 2.555 -1.178 1.00 0.00 C ATOM 1509 O GLU A 93 -8.690 2.374 -0.003 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.915 1.321 -2.185 1.00 0.00 C ATOM 1511 CG GLU A 93 -12.388 1.266 -2.550 1.00 0.00 C ATOM 1512 CD GLU A 93 -13.289 1.476 -1.360 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -13.926 2.546 -1.271 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -13.363 0.573 -0.499 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.967 3.424 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.066 2.889 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.324 1.112 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.701 0.529 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.601 2.027 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.610 0.300 -3.003 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.114 2.683 -2.154 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.682 2.602 -1.920 1.00 0.00 C ATOM 1523 C LEU A 94 -6.239 3.707 -0.977 1.00 0.00 C ATOM 1524 O LEU A 94 -5.501 3.464 -0.030 1.00 0.00 O ATOM 1525 CB LEU A 94 -5.928 2.715 -3.251 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.410 2.540 -3.188 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -4.049 1.114 -2.795 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -3.781 2.906 -4.524 1.00 0.00 C ATOM 0 H LEU A 94 -8.367 2.846 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.455 1.639 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.330 1.969 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.142 3.693 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.015 3.211 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.965 1.011 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.470 0.889 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.453 0.420 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.700 2.777 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.182 2.259 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.010 3.945 -4.761 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.719 4.915 -1.226 1.00 0.00 N ATOM 1541 CA GLU A 95 -6.381 6.056 -0.390 1.00 0.00 C ATOM 1542 C GLU A 95 -6.807 5.810 1.058 1.00 0.00 C ATOM 1543 O GLU A 95 -6.057 6.090 1.997 1.00 0.00 O ATOM 1544 CB GLU A 95 -7.043 7.321 -0.932 1.00 0.00 C ATOM 1545 CG GLU A 95 -6.768 8.563 -0.105 1.00 0.00 C ATOM 1546 CD GLU A 95 -7.468 9.782 -0.646 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -8.710 9.831 -0.581 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -6.777 10.705 -1.134 1.00 0.00 O1- ATOM 0 H GLU A 95 -7.345 5.131 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.299 6.190 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.697 7.492 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.120 7.162 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.088 8.390 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.694 8.747 -0.077 1.00 0.00 H new ATOM 1555 N GLN A 96 -8.005 5.263 1.228 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.534 4.970 2.519 1.00 0.00 C ATOM 1557 C GLN A 96 -7.715 3.867 3.198 1.00 0.00 C ATOM 1558 O GLN A 96 -7.451 3.925 4.400 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.976 4.536 2.355 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.702 4.340 3.644 1.00 0.00 C ATOM 1561 CD GLN A 96 -10.877 5.633 4.420 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -10.973 6.714 3.836 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -10.911 5.537 5.731 1.00 0.00 N ATOM 0 H GLN A 96 -8.626 5.016 0.458 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.483 5.857 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.504 5.283 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.002 3.604 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.682 3.907 3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.157 3.623 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.828 4.624 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -11.020 6.376 6.301 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.307 2.876 2.413 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.521 1.760 2.923 1.00 0.00 C ATOM 1574 C ALA A 97 -5.181 2.234 3.478 1.00 0.00 C ATOM 1575 O ALA A 97 -4.763 1.812 4.555 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.310 0.718 1.835 1.00 0.00 C ATOM 0 H ALA A 97 -7.510 2.824 1.415 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.078 1.303 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.721 -0.109 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.276 0.345 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.781 1.170 0.996 1.00 0.00 H new ATOM 1582 N LEU A 98 -4.512 3.120 2.745 1.00 0.00 N ATOM 1583 CA LEU A 98 -3.234 3.662 3.196 1.00 0.00 C ATOM 1584 C LEU A 98 -3.395 4.530 4.433 1.00 0.00 C ATOM 1585 O LEU A 98 -2.506 4.572 5.282 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.509 4.427 2.081 1.00 0.00 C ATOM 1587 CG LEU A 98 -1.747 3.577 1.048 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -0.620 2.807 1.717 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -2.670 2.624 0.315 1.00 0.00 C ATOM 0 H LEU A 98 -4.830 3.475 1.843 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.612 2.809 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.243 5.033 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.802 5.116 2.544 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.322 4.260 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.093 2.212 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.075 3.508 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.033 2.148 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.095 2.042 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.142 1.951 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.438 3.192 -0.209 1.00 0.00 H new ATOM 1601 N GLN A 99 -4.524 5.218 4.541 1.00 0.00 N ATOM 1602 CA GLN A 99 -4.802 6.014 5.717 1.00 0.00 C ATOM 1603 C GLN A 99 -4.916 5.097 6.927 1.00 0.00 C ATOM 1604 O GLN A 99 -4.415 5.404 8.012 1.00 0.00 O ATOM 1605 CB GLN A 99 -6.091 6.809 5.536 1.00 0.00 C ATOM 1606 CG GLN A 99 -6.409 7.709 6.709 1.00 0.00 C ATOM 1607 CD GLN A 99 -7.704 8.466 6.534 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -7.725 9.567 5.981 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -8.789 7.894 7.014 1.00 0.00 N ATOM 0 H GLN A 99 -5.255 5.238 3.830 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.987 6.721 5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.012 7.415 4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.919 6.116 5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.465 7.108 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.594 8.420 6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.727 6.981 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.691 8.364 6.935 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.563 3.958 6.718 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.717 2.956 7.755 1.00 0.00 C ATOM 1620 C LYS A 100 -4.352 2.400 8.155 1.00 0.00 C ATOM 1621 O LYS A 100 -4.075 2.194 9.334 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.627 1.829 7.265 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.921 0.769 8.309 1.00 0.00 C ATOM 1624 CD LYS A 100 -7.867 -0.285 7.767 1.00 0.00 C ATOM 1625 CE LYS A 100 -8.215 -1.309 8.827 1.00 0.00 C ATOM 1626 NZ LYS A 100 -9.149 -2.335 8.315 1.00 0.00 N ATOM 0 H LYS A 100 -5.993 3.707 5.828 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.174 3.419 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.569 2.260 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.164 1.353 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.990 0.298 8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.359 1.235 9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.778 0.192 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.409 -0.784 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.303 -1.791 9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.662 -0.806 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.363 -3.017 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.029 -1.878 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.713 -2.832 7.512 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.498 2.171 7.160 1.00 0.00 N ATOM 1641 CA ILE A 101 -2.147 1.687 7.411 1.00 0.00 C ATOM 1642 C ILE A 101 -1.344 2.730 8.191 1.00 0.00 C ATOM 1643 O ILE A 101 -0.576 2.389 9.088 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.410 1.316 6.093 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.109 0.126 5.418 1.00 0.00 C ATOM 1646 CG2 ILE A 101 0.059 0.993 6.362 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.449 -0.331 4.133 1.00 0.00 C ATOM 0 H ILE A 101 -3.719 2.313 6.174 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.231 0.779 8.008 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.447 2.174 5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.136 -0.710 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.143 0.398 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.553 0.737 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.548 1.862 6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.126 0.150 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.003 -1.174 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.446 0.489 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.423 -0.637 4.340 1.00 0.00 H new ATOM 1659 N ARG A 102 -1.552 4.001 7.861 1.00 0.00 N ATOM 1660 CA ARG A 102 -0.898 5.094 8.570 1.00 0.00 C ATOM 1661 C ARG A 102 -1.302 5.081 10.045 1.00 0.00 C ATOM 1662 O ARG A 102 -0.492 5.366 10.926 1.00 0.00 O ATOM 1663 CB ARG A 102 -1.248 6.442 7.919 1.00 0.00 C ATOM 1664 CG ARG A 102 -0.793 7.658 8.717 1.00 0.00 C ATOM 1665 CD ARG A 102 -1.089 8.955 7.978 1.00 0.00 C ATOM 1666 NE ARG A 102 -0.114 9.227 6.912 1.00 0.00 N ATOM 1667 CZ ARG A 102 -0.418 9.757 5.720 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -1.684 9.990 5.391 1.00 0.00 N ATOM 1669 NH2 ARG A 102 0.549 10.052 4.855 1.00 0.00 N ATOM 0 H ARG A 102 -2.169 4.299 7.106 1.00 0.00 H new ATOM 0 HA ARG A 102 0.182 4.958 8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.796 6.482 6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.328 6.496 7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.294 7.667 9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.277 7.586 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.089 8.905 7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.088 9.783 8.687 1.00 0.00 H new ATOM 0 HE ARG A 102 0.863 8.996 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.431 9.765 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.909 10.394 4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.523 9.875 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.316 10.456 3.948 1.00 0.00 H new ATOM 1683 N GLU A 103 -2.559 4.734 10.303 1.00 0.00 N ATOM 1684 CA GLU A 103 -3.059 4.626 11.626 1.00 0.00 C ATOM 1685 C GLU A 103 -2.436 3.416 12.328 1.00 0.00 C ATOM 1686 O GLU A 103 -2.102 3.476 13.510 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.568 4.499 11.577 1.00 0.00 C ATOM 1688 CG GLU A 103 -5.175 4.317 12.919 1.00 0.00 C ATOM 1689 CD GLU A 103 -6.677 4.257 12.887 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.229 3.181 12.578 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -7.323 5.288 13.183 1.00 0.00 O1- ATOM 0 H GLU A 103 -3.246 4.523 9.580 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.794 5.519 12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.988 5.391 11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.836 3.653 10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.791 3.399 13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.864 5.138 13.565 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.268 2.327 11.582 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.652 1.114 12.115 1.00 0.00 C ATOM 1700 C LEU A 104 -0.190 1.368 12.466 1.00 0.00 C ATOM 1701 O LEU A 104 0.334 0.808 13.424 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.763 -0.039 11.110 1.00 0.00 C ATOM 1703 CG LEU A 104 -3.187 -0.490 10.764 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -3.160 -1.582 9.707 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -3.915 -0.976 12.011 1.00 0.00 C ATOM 0 H LEU A 104 -2.550 2.259 10.604 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.186 0.833 13.023 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.263 0.258 10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.218 -0.895 11.507 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.727 0.367 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.180 -1.889 9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.681 -1.203 8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.600 -2.438 10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.924 -1.291 11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.374 -1.818 12.443 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.969 -0.167 12.739 1.00 0.00 H new ATOM 1717 N ALA A 105 0.458 2.229 11.687 1.00 0.00 N ATOM 1718 CA ALA A 105 1.844 2.605 11.938 1.00 0.00 C ATOM 1719 C ALA A 105 1.936 3.506 13.168 1.00 0.00 C ATOM 1720 O ALA A 105 3.012 3.720 13.723 1.00 0.00 O ATOM 1721 CB ALA A 105 2.433 3.301 10.719 1.00 0.00 C ATOM 0 H ALA A 105 0.042 2.681 10.873 1.00 0.00 H new ATOM 0 HA ALA A 105 2.421 1.701 12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.468 3.576 10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.397 2.627 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.856 4.199 10.498 1.00 0.00 H new ATOM 1727 N GLU A 106 0.799 4.039 13.577 1.00 0.00 N ATOM 1728 CA GLU A 106 0.723 4.872 14.758 1.00 0.00 C ATOM 1729 C GLU A 106 0.404 3.999 15.972 1.00 0.00 C ATOM 1730 O GLU A 106 0.771 4.325 17.108 1.00 0.00 O ATOM 1731 CB GLU A 106 -0.365 5.927 14.546 1.00 0.00 C ATOM 1732 CG GLU A 106 -0.607 6.852 15.719 1.00 0.00 C ATOM 1733 CD GLU A 106 -1.567 7.960 15.363 1.00 0.00 C ATOM 1734 OE1 GLU A 106 -1.106 9.023 14.896 1.00 0.00 O ATOM 1735 OE2 GLU A 106 -2.787 7.771 15.520 1.00 0.00 O1- ATOM 0 H GLU A 106 -0.093 3.906 13.100 1.00 0.00 H new ATOM 0 HA GLU A 106 1.675 5.374 14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.099 6.530 13.678 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.299 5.419 14.307 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.005 6.281 16.558 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.340 7.281 16.046 1.00 0.00 H new ATOM 1742 N LYS A 107 -0.232 2.863 15.699 1.00 0.00 N ATOM 1743 CA LYS A 107 -0.596 1.879 16.708 1.00 0.00 C ATOM 1744 C LYS A 107 -1.401 0.758 16.070 1.00 0.00 C ATOM 1745 O LYS A 107 -2.476 0.993 15.509 1.00 0.00 O ATOM 1746 CB LYS A 107 -1.410 2.503 17.849 1.00 0.00 C ATOM 1747 CG LYS A 107 -1.708 1.521 18.970 1.00 0.00 C ATOM 1748 CD LYS A 107 -2.454 2.175 20.111 1.00 0.00 C ATOM 1749 CE LYS A 107 -2.702 1.183 21.234 1.00 0.00 C ATOM 1750 NZ LYS A 107 -3.433 1.792 22.364 1.00 0.00 N ATOM 0 H LYS A 107 -0.512 2.598 14.755 1.00 0.00 H new ATOM 0 HA LYS A 107 0.329 1.485 17.129 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.864 3.354 18.255 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.349 2.887 17.451 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.298 0.692 18.579 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.774 1.100 19.341 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.880 3.022 20.488 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.405 2.569 19.751 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.271 0.336 20.850 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.748 0.792 21.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.580 1.079 23.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.880 2.584 22.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.355 2.142 22.033 1.00 0.00 H new ATOM 1764 N LYS A 108 -0.881 -0.449 16.149 1.00 0.00 N ATOM 1765 CA LYS A 108 -1.557 -1.606 15.599 1.00 0.00 C ATOM 1766 C LYS A 108 -2.782 -1.949 16.425 1.00 0.00 C ATOM 1767 O LYS A 108 -3.869 -2.153 15.880 1.00 0.00 O ATOM 1768 CB LYS A 108 -0.626 -2.819 15.576 1.00 0.00 C ATOM 1769 CG LYS A 108 -1.344 -4.115 15.221 1.00 0.00 C ATOM 1770 CD LYS A 108 -0.810 -5.285 16.025 1.00 0.00 C ATOM 1771 CE LYS A 108 -1.690 -6.516 15.861 1.00 0.00 C ATOM 1772 NZ LYS A 108 -3.087 -6.271 16.321 1.00 0.00 N ATOM 0 H LYS A 108 0.014 -0.655 16.592 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.857 -1.359 14.581 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.172 -2.643 14.855 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.155 -2.927 16.553 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.412 -4.003 15.406 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.224 -4.319 14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.206 -5.516 15.704 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.757 -5.011 17.079 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.701 -6.816 14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.263 -7.345 16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.325 -6.941 17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.169 -5.298 16.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.743 -6.402 15.525 1.00 0.00 H new ATOM 1786 N ASN A 109 -2.588 -1.995 17.749 1.00 0.00 N ATOM 1787 CA ASN A 109 -3.632 -2.398 18.695 1.00 0.00 C ATOM 1788 C ASN A 109 -3.888 -3.892 18.573 1.00 0.00 C ATOM 1789 O ASN A 109 -4.647 -4.296 17.676 1.00 0.00 O ATOM 1790 CB ASN A 109 -4.936 -1.609 18.489 1.00 0.00 C ATOM 1791 CG ASN A 109 -6.060 -2.090 19.392 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -5.834 -2.517 20.524 1.00 0.00 O ATOM 1793 ND2 ASN A 109 -7.275 -2.024 18.898 1.00 0.00 N ATOM 1794 OXT ASN A 109 -3.298 -4.659 19.354 1.00 0.00 O ATOM 0 H ASN A 109 -1.702 -1.754 18.193 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.277 -2.171 19.700 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.750 -0.552 18.678 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.248 -1.696 17.448 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.070 -2.333 19.457 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.423 -1.664 17.955 1.00 0.00 H new TER 1801 ASN A 109