USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 1.21 K(o=0.13,f=-4.7!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.08 K(o=0.13,f=-2.6!) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -51:sc= 1.2 USER MOD Set 3.1: A 15 HIS : no HD1:sc= 1.08 K(o=3.3,f=-4.7!) USER MOD Set 3.2: A 20 SER OG : rot -154:sc= 1.33 USER MOD Set 3.3: A 33 THR OG1 : rot 73:sc= 0.874 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0803 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.26) USER MOD Single : A 21 THR OG1 : rot 80:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc=-0.00699 K(o=-0.007,f=-0.55) USER MOD Single : A 27 HIS : no HD1:sc= -0.0287 K(o=-0.029,f=-0.79) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.32) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -130:sc= 1.36 USER MOD Single : A 80 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 -0.004 -8.465 -11.470 1.00 0.00 N ATOM 66 CA LYS A 5 0.934 -8.695 -10.374 1.00 0.00 C ATOM 67 C LYS A 5 0.165 -9.060 -9.103 1.00 0.00 C ATOM 68 O LYS A 5 0.472 -8.618 -8.001 1.00 0.00 O ATOM 69 CB LYS A 5 1.918 -7.523 -10.236 1.00 0.00 C ATOM 70 CG LYS A 5 3.175 -7.685 -11.102 1.00 0.00 C ATOM 71 CD LYS A 5 4.174 -6.540 -10.854 1.00 0.00 C ATOM 72 CE LYS A 5 5.600 -7.046 -10.579 1.00 0.00 C ATOM 73 NZ LYS A 5 6.632 -6.128 -11.101 1.00 0.00 N ATOM 0 HA LYS A 5 1.570 -9.554 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.412 -6.598 -10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.214 -7.426 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.651 -8.640 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.894 -7.704 -12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.188 -5.881 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.835 -5.944 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.738 -7.171 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.728 -8.029 -11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.576 -6.512 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.519 -6.028 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.529 -5.197 -10.649 1.00 0.00 H new ATOM 87 N TYR A 6 -0.829 -9.928 -9.268 1.00 0.00 N ATOM 88 CA TYR A 6 -1.603 -10.486 -8.176 1.00 0.00 C ATOM 89 C TYR A 6 -0.682 -11.165 -7.149 1.00 0.00 C ATOM 90 O TYR A 6 -0.061 -12.180 -7.459 1.00 0.00 O ATOM 91 CB TYR A 6 -2.622 -11.460 -8.770 1.00 0.00 C ATOM 92 CG TYR A 6 -3.834 -10.776 -9.378 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.780 -10.181 -10.654 1.00 0.00 C ATOM 94 CD2 TYR A 6 -5.018 -10.687 -8.629 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.919 -9.545 -11.180 1.00 0.00 C ATOM 96 CE2 TYR A 6 -6.168 -10.096 -9.172 1.00 0.00 C ATOM 97 CZ TYR A 6 -6.121 -9.535 -10.458 1.00 0.00 C ATOM 98 OH TYR A 6 -7.249 -8.996 -11.002 1.00 0.00 O ATOM 0 H TYR A 6 -1.121 -10.267 -10.185 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.132 -9.699 -7.639 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -2.133 -12.062 -9.536 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.955 -12.145 -7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.865 -10.213 -11.227 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.044 -11.078 -7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.867 -9.062 -12.145 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.086 -10.073 -8.603 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.989 -9.075 -10.365 1.00 0.00 H new ATOM 108 N TYR A 7 -0.600 -10.609 -5.936 1.00 0.00 N ATOM 109 CA TYR A 7 0.229 -11.087 -4.838 1.00 0.00 C ATOM 110 C TYR A 7 -0.654 -11.688 -3.745 1.00 0.00 C ATOM 111 O TYR A 7 -1.785 -11.245 -3.541 1.00 0.00 O ATOM 112 CB TYR A 7 1.054 -9.922 -4.275 1.00 0.00 C ATOM 113 CG TYR A 7 2.226 -9.513 -5.142 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.294 -10.411 -5.314 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.298 -8.225 -5.709 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.407 -10.046 -6.086 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.412 -7.863 -6.487 1.00 0.00 C ATOM 118 CZ TYR A 7 4.459 -8.777 -6.683 1.00 0.00 C ATOM 119 OH TYR A 7 5.582 -8.394 -7.355 1.00 0.00 O ATOM 0 H TYR A 7 -1.135 -9.777 -5.687 1.00 0.00 H new ATOM 0 HA TYR A 7 0.907 -11.859 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.400 -9.061 -4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.426 -10.199 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.257 -11.386 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.499 -7.517 -5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.223 -10.741 -6.221 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.462 -6.881 -6.934 1.00 0.00 H new ATOM 0 HH TYR A 7 6.019 -9.183 -7.738 1.00 0.00 H new ATOM 129 N THR A 8 -0.148 -12.705 -3.045 1.00 0.00 N ATOM 130 CA THR A 8 -0.870 -13.377 -1.979 1.00 0.00 C ATOM 131 C THR A 8 -0.660 -12.649 -0.652 1.00 0.00 C ATOM 132 O THR A 8 0.311 -11.912 -0.474 1.00 0.00 O ATOM 133 CB THR A 8 -0.365 -14.824 -1.874 1.00 0.00 C ATOM 134 OG1 THR A 8 1.041 -14.805 -1.744 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.724 -15.645 -3.114 1.00 0.00 C ATOM 0 H THR A 8 0.785 -13.084 -3.209 1.00 0.00 H new ATOM 0 HA THR A 8 -1.937 -13.374 -2.204 1.00 0.00 H new ATOM 0 HB THR A 8 -0.841 -15.285 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.376 -15.723 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.348 -16.662 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.807 -15.670 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.272 -15.189 -3.995 1.00 0.00 H new ATOM 143 N LEU A 9 -1.573 -12.887 0.294 1.00 0.00 N ATOM 144 CA LEU A 9 -1.572 -12.255 1.598 1.00 0.00 C ATOM 145 C LEU A 9 -0.227 -12.492 2.277 1.00 0.00 C ATOM 146 O LEU A 9 0.465 -11.525 2.577 1.00 0.00 O ATOM 147 CB LEU A 9 -2.749 -12.761 2.441 1.00 0.00 C ATOM 148 CG LEU A 9 -4.149 -12.333 1.963 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.343 -10.816 1.891 1.00 0.00 C ATOM 150 CD2 LEU A 9 -4.556 -12.923 0.615 1.00 0.00 C ATOM 0 H LEU A 9 -2.346 -13.540 0.163 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.705 -11.179 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.712 -13.850 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.614 -12.414 3.465 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.795 -12.742 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.353 -10.594 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.194 -10.383 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.621 -10.389 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.554 -12.573 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.846 -12.607 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.559 -14.011 0.680 1.00 0.00 H new ATOM 162 N GLU A 10 0.182 -13.752 2.473 1.00 0.00 N ATOM 163 CA GLU A 10 1.496 -14.091 3.003 1.00 0.00 C ATOM 164 C GLU A 10 2.626 -13.269 2.382 1.00 0.00 C ATOM 165 O GLU A 10 3.510 -12.810 3.105 1.00 0.00 O ATOM 166 CB GLU A 10 1.796 -15.585 2.797 1.00 0.00 C ATOM 167 CG GLU A 10 1.503 -16.417 4.051 1.00 0.00 C ATOM 168 CD GLU A 10 0.048 -16.864 4.093 1.00 0.00 C ATOM 169 OE1 GLU A 10 -0.817 -16.001 3.820 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.158 -18.066 4.360 1.00 0.00 O ATOM 0 H GLU A 10 -0.398 -14.565 2.265 1.00 0.00 H new ATOM 0 HA GLU A 10 1.458 -13.854 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.199 -15.962 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.843 -15.708 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.154 -17.291 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.731 -15.830 4.941 1.00 0.00 H new ATOM 177 N GLU A 11 2.646 -13.133 1.055 1.00 0.00 N ATOM 178 CA GLU A 11 3.718 -12.408 0.394 1.00 0.00 C ATOM 179 C GLU A 11 3.664 -10.941 0.813 1.00 0.00 C ATOM 180 O GLU A 11 4.628 -10.385 1.342 1.00 0.00 O ATOM 181 CB GLU A 11 3.631 -12.593 -1.128 1.00 0.00 C ATOM 182 CG GLU A 11 5.033 -12.669 -1.744 1.00 0.00 C ATOM 183 CD GLU A 11 5.648 -14.062 -1.576 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.884 -14.468 -0.409 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.849 -14.707 -2.626 1.00 0.00 O ATOM 0 H GLU A 11 1.937 -13.513 0.427 1.00 0.00 H new ATOM 0 HA GLU A 11 4.686 -12.806 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.077 -13.503 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.078 -11.764 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.979 -12.420 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.678 -11.927 -1.274 1.00 0.00 H new ATOM 192 N ILE A 12 2.492 -10.331 0.650 1.00 0.00 N ATOM 193 CA ILE A 12 2.251 -8.956 1.055 1.00 0.00 C ATOM 194 C ILE A 12 2.655 -8.763 2.532 1.00 0.00 C ATOM 195 O ILE A 12 3.248 -7.748 2.884 1.00 0.00 O ATOM 196 CB ILE A 12 0.784 -8.599 0.746 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.488 -8.724 -0.764 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.454 -7.171 1.185 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.006 -8.882 -1.063 1.00 0.00 C ATOM 0 H ILE A 12 1.680 -10.784 0.230 1.00 0.00 H new ATOM 0 HA ILE A 12 2.871 -8.260 0.490 1.00 0.00 H new ATOM 0 HB ILE A 12 0.166 -9.303 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.866 -7.840 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.027 -9.582 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.588 -6.951 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.615 -7.074 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.100 -6.470 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.155 -8.965 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.382 -9.781 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.546 -8.012 -0.688 1.00 0.00 H new ATOM 211 N GLN A 13 2.397 -9.758 3.387 1.00 0.00 N ATOM 212 CA GLN A 13 2.712 -9.734 4.814 1.00 0.00 C ATOM 213 C GLN A 13 4.206 -9.949 5.098 1.00 0.00 C ATOM 214 O GLN A 13 4.679 -9.659 6.204 1.00 0.00 O ATOM 215 CB GLN A 13 1.888 -10.798 5.562 1.00 0.00 C ATOM 216 CG GLN A 13 1.171 -10.211 6.784 1.00 0.00 C ATOM 217 CD GLN A 13 1.155 -11.200 7.942 1.00 0.00 C ATOM 218 OE1 GLN A 13 2.013 -11.135 8.820 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.204 -12.129 7.951 1.00 0.00 N ATOM 0 H GLN A 13 1.950 -10.627 3.094 1.00 0.00 H new ATOM 0 HA GLN A 13 2.451 -8.738 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.153 -11.231 4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.544 -11.608 5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.669 -9.292 7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.149 -9.945 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.492 -12.153 7.206 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.171 -12.817 8.703 1.00 0.00 H new ATOM 228 N LYS A 14 4.945 -10.493 4.129 1.00 0.00 N ATOM 229 CA LYS A 14 6.393 -10.596 4.178 1.00 0.00 C ATOM 230 C LYS A 14 6.953 -9.195 3.907 1.00 0.00 C ATOM 231 O LYS A 14 7.791 -8.694 4.658 1.00 0.00 O ATOM 232 CB LYS A 14 6.880 -11.647 3.157 1.00 0.00 C ATOM 233 CG LYS A 14 7.611 -12.832 3.802 1.00 0.00 C ATOM 234 CD LYS A 14 6.668 -13.770 4.581 1.00 0.00 C ATOM 235 CE LYS A 14 6.721 -15.211 4.042 1.00 0.00 C ATOM 236 NZ LYS A 14 5.926 -15.390 2.802 1.00 0.00 N ATOM 0 H LYS A 14 4.541 -10.879 3.276 1.00 0.00 H new ATOM 0 HA LYS A 14 6.746 -10.936 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.024 -12.020 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.546 -11.165 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.122 -13.402 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.378 -12.454 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.942 -13.766 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.647 -13.395 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.758 -15.483 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.352 -15.894 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.997 -16.377 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.930 -15.158 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.293 -14.760 2.060 1.00 0.00 H new ATOM 250 N HIS A 15 6.445 -8.540 2.859 1.00 0.00 N ATOM 251 CA HIS A 15 6.838 -7.184 2.497 1.00 0.00 C ATOM 252 C HIS A 15 6.243 -6.153 3.464 1.00 0.00 C ATOM 253 O HIS A 15 5.284 -5.449 3.149 1.00 0.00 O ATOM 254 CB HIS A 15 6.440 -6.900 1.048 1.00 0.00 C ATOM 255 CG HIS A 15 7.308 -7.609 0.043 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.383 -7.055 -0.613 1.00 0.00 N ATOM 257 CD2 HIS A 15 7.225 -8.924 -0.329 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.929 -8.018 -1.374 1.00 0.00 C ATOM 259 NE2 HIS A 15 8.263 -9.175 -1.232 1.00 0.00 N ATOM 0 H HIS A 15 5.745 -8.943 2.236 1.00 0.00 H new ATOM 0 HA HIS A 15 7.922 -7.099 2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.403 -7.200 0.898 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.491 -5.826 0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.491 -9.638 0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.788 -7.880 -2.014 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.472 -10.061 -1.692 1.00 0.00 H new ATOM 267 N LYS A 16 6.852 -6.038 4.645 1.00 0.00 N ATOM 268 CA LYS A 16 6.496 -5.014 5.622 1.00 0.00 C ATOM 269 C LYS A 16 7.657 -4.692 6.554 1.00 0.00 C ATOM 270 O LYS A 16 7.949 -3.523 6.810 1.00 0.00 O ATOM 271 CB LYS A 16 5.220 -5.406 6.376 1.00 0.00 C ATOM 272 CG LYS A 16 5.200 -6.795 7.035 1.00 0.00 C ATOM 273 CD LYS A 16 5.507 -6.742 8.541 1.00 0.00 C ATOM 274 CE LYS A 16 4.978 -7.980 9.277 1.00 0.00 C ATOM 275 NZ LYS A 16 5.572 -9.235 8.774 1.00 0.00 N ATOM 0 H LYS A 16 7.606 -6.654 4.949 1.00 0.00 H new ATOM 0 HA LYS A 16 6.281 -4.091 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.041 -4.660 7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.383 -5.349 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.221 -7.250 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.930 -7.437 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.584 -6.664 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.060 -5.846 8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.189 -7.883 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.894 -8.027 9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.157 -10.043 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.378 -9.327 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.600 -9.220 8.931 1.00 0.00 H new ATOM 334 N SER A 20 10.912 -2.976 3.167 1.00 0.00 N ATOM 335 CA SER A 20 10.004 -3.182 2.044 1.00 0.00 C ATOM 336 C SER A 20 8.541 -2.925 2.452 1.00 0.00 C ATOM 337 O SER A 20 7.767 -3.865 2.593 1.00 0.00 O ATOM 338 CB SER A 20 10.215 -4.605 1.488 1.00 0.00 C ATOM 339 OG SER A 20 9.751 -4.733 0.156 1.00 0.00 O ATOM 0 HA SER A 20 10.227 -2.463 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.275 -4.855 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.695 -5.322 2.123 1.00 0.00 H new ATOM 0 HG SER A 20 9.517 -5.668 -0.020 1.00 0.00 H new ATOM 345 N THR A 21 8.151 -1.668 2.682 1.00 0.00 N ATOM 346 CA THR A 21 6.825 -1.308 3.133 1.00 0.00 C ATOM 347 C THR A 21 5.827 -1.309 1.975 1.00 0.00 C ATOM 348 O THR A 21 5.776 -0.378 1.167 1.00 0.00 O ATOM 349 CB THR A 21 6.898 0.040 3.855 1.00 0.00 C ATOM 350 OG1 THR A 21 7.691 -0.113 5.016 1.00 0.00 O ATOM 351 CG2 THR A 21 5.493 0.501 4.233 1.00 0.00 C ATOM 0 H THR A 21 8.767 -0.865 2.554 1.00 0.00 H new ATOM 0 HA THR A 21 6.457 -2.053 3.839 1.00 0.00 H new ATOM 0 HB THR A 21 7.344 0.791 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.639 -0.089 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.551 1.461 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.890 0.608 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.033 -0.236 4.892 1.00 0.00 H new ATOM 359 N TRP A 22 5.011 -2.361 1.929 1.00 0.00 N ATOM 360 CA TRP A 22 3.864 -2.465 1.045 1.00 0.00 C ATOM 361 C TRP A 22 2.593 -2.159 1.823 1.00 0.00 C ATOM 362 O TRP A 22 2.574 -2.270 3.048 1.00 0.00 O ATOM 363 CB TRP A 22 3.806 -3.874 0.481 1.00 0.00 C ATOM 364 CG TRP A 22 4.860 -4.210 -0.523 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.017 -3.552 -0.773 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.808 -5.291 -1.484 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.655 -4.139 -1.843 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.970 -5.240 -2.302 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.854 -6.282 -1.765 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.187 -6.151 -3.342 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.067 -7.219 -2.790 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.241 -7.164 -3.566 1.00 0.00 C ATOM 0 H TRP A 22 5.137 -3.181 2.522 1.00 0.00 H new ATOM 0 HA TRP A 22 3.955 -1.750 0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.878 -4.581 1.308 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.830 -4.022 0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.382 -2.700 -0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.528 -3.799 -2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.944 -6.325 -1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.068 -6.076 -3.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.329 -7.983 -2.983 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.414 -7.902 -4.335 1.00 0.00 H new ATOM 383 N VAL A 23 1.528 -1.806 1.108 1.00 0.00 N ATOM 384 CA VAL A 23 0.198 -1.591 1.655 1.00 0.00 C ATOM 385 C VAL A 23 -0.801 -1.883 0.541 1.00 0.00 C ATOM 386 O VAL A 23 -0.491 -1.661 -0.634 1.00 0.00 O ATOM 387 CB VAL A 23 0.023 -0.149 2.167 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.507 0.033 3.609 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.732 0.876 1.279 1.00 0.00 C ATOM 0 H VAL A 23 1.572 -1.658 0.100 1.00 0.00 H new ATOM 0 HA VAL A 23 0.037 -2.249 2.509 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.052 0.029 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.359 1.069 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.059 -0.625 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.567 -0.215 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.578 1.876 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.799 0.657 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.325 0.826 0.269 1.00 0.00 H new ATOM 399 N ILE A 24 -1.983 -2.389 0.911 1.00 0.00 N ATOM 400 CA ILE A 24 -3.062 -2.637 -0.026 1.00 0.00 C ATOM 401 C ILE A 24 -4.208 -1.673 0.250 1.00 0.00 C ATOM 402 O ILE A 24 -4.705 -1.612 1.376 1.00 0.00 O ATOM 403 CB ILE A 24 -3.474 -4.112 -0.024 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.158 -4.576 1.265 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.234 -4.974 -0.239 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.684 -4.712 1.171 1.00 0.00 C ATOM 0 H ILE A 24 -2.210 -2.636 1.874 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.721 -2.442 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.203 -4.221 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.739 -5.539 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.919 -3.871 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.518 -6.026 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.777 -4.722 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.520 -4.791 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.079 -5.045 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.120 -3.747 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.938 -5.441 0.401 1.00 0.00 H new ATOM 418 N LEU A 25 -4.578 -0.886 -0.765 1.00 0.00 N ATOM 419 CA LEU A 25 -5.610 0.132 -0.680 1.00 0.00 C ATOM 420 C LEU A 25 -6.561 -0.138 -1.848 1.00 0.00 C ATOM 421 O LEU A 25 -6.115 -0.193 -2.990 1.00 0.00 O ATOM 422 CB LEU A 25 -5.010 1.552 -0.735 1.00 0.00 C ATOM 423 CG LEU A 25 -3.643 1.727 -0.047 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.033 3.086 -0.402 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.701 1.624 1.475 1.00 0.00 C ATOM 0 H LEU A 25 -4.152 -0.947 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.140 0.084 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.910 1.844 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.718 2.243 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.030 0.905 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.068 3.192 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.897 3.153 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.700 3.882 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.701 1.758 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.361 2.397 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.082 0.643 1.759 1.00 0.00 H new ATOM 437 N HIS A 26 -7.849 -0.377 -1.586 1.00 0.00 N ATOM 438 CA HIS A 26 -8.849 -0.621 -2.633 1.00 0.00 C ATOM 439 C HIS A 26 -8.413 -1.723 -3.606 1.00 0.00 C ATOM 440 O HIS A 26 -8.365 -1.524 -4.820 1.00 0.00 O ATOM 441 CB HIS A 26 -9.191 0.673 -3.389 1.00 0.00 C ATOM 442 CG HIS A 26 -9.934 1.668 -2.546 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.303 1.786 -2.446 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.367 2.597 -1.723 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.553 2.776 -1.572 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.403 3.292 -1.106 1.00 0.00 N ATOM 0 H HIS A 26 -8.230 -0.407 -0.640 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.751 -0.972 -2.131 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.270 1.129 -3.752 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.792 0.427 -4.265 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.997 1.227 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.310 2.762 -1.577 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.539 3.110 -1.285 1.00 0.00 H new ATOM 454 N HIS A 27 -8.119 -2.905 -3.060 1.00 0.00 N ATOM 455 CA HIS A 27 -7.783 -4.095 -3.835 1.00 0.00 C ATOM 456 C HIS A 27 -6.559 -3.909 -4.744 1.00 0.00 C ATOM 457 O HIS A 27 -6.367 -4.680 -5.681 1.00 0.00 O ATOM 458 CB HIS A 27 -9.027 -4.616 -4.588 1.00 0.00 C ATOM 459 CG HIS A 27 -9.622 -5.842 -3.949 1.00 0.00 C ATOM 460 ND1 HIS A 27 -8.940 -6.999 -3.653 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.911 -5.994 -3.515 1.00 0.00 C ATOM 462 CE1 HIS A 27 -9.795 -7.824 -3.030 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.013 -7.262 -2.939 1.00 0.00 N ATOM 0 H HIS A 27 -8.108 -3.062 -2.052 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.476 -4.867 -3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.780 -3.829 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.754 -4.845 -5.618 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.704 -5.266 -3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.540 -8.804 -2.654 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.848 -7.680 -2.529 1.00 0.00 H new ATOM 471 N LYS A 28 -5.710 -2.917 -4.457 1.00 0.00 N ATOM 472 CA LYS A 28 -4.525 -2.601 -5.233 1.00 0.00 C ATOM 473 C LYS A 28 -3.356 -2.496 -4.268 1.00 0.00 C ATOM 474 O LYS A 28 -3.456 -1.818 -3.245 1.00 0.00 O ATOM 475 CB LYS A 28 -4.765 -1.298 -6.004 1.00 0.00 C ATOM 476 CG LYS A 28 -5.604 -1.605 -7.251 1.00 0.00 C ATOM 477 CD LYS A 28 -6.525 -0.436 -7.615 1.00 0.00 C ATOM 478 CE LYS A 28 -7.551 -0.863 -8.676 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.963 -0.992 -10.026 1.00 0.00 N ATOM 0 H LYS A 28 -5.839 -2.300 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.300 -3.374 -5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.281 -0.575 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.814 -0.849 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.943 -1.823 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.202 -2.499 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.042 -0.083 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.932 0.398 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.992 -1.816 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.360 -0.133 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.700 -1.282 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.565 -0.077 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.209 -1.708 -10.009 1.00 0.00 H new ATOM 493 N VAL A 29 -2.278 -3.216 -4.581 1.00 0.00 N ATOM 494 CA VAL A 29 -1.070 -3.268 -3.788 1.00 0.00 C ATOM 495 C VAL A 29 -0.131 -2.196 -4.324 1.00 0.00 C ATOM 496 O VAL A 29 0.128 -2.125 -5.531 1.00 0.00 O ATOM 497 CB VAL A 29 -0.468 -4.685 -3.822 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.715 -4.799 -2.858 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.529 -5.730 -3.457 1.00 0.00 C ATOM 0 H VAL A 29 -2.230 -3.793 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.266 -3.063 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.115 -4.872 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.123 -5.809 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.487 -4.084 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.379 -4.586 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.085 -6.725 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.906 -5.531 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.351 -5.678 -4.171 1.00 0.00 H new ATOM 509 N TYR A 30 0.336 -1.336 -3.420 1.00 0.00 N ATOM 510 CA TYR A 30 1.202 -0.221 -3.738 1.00 0.00 C ATOM 511 C TYR A 30 2.525 -0.436 -3.009 1.00 0.00 C ATOM 512 O TYR A 30 2.516 -0.656 -1.795 1.00 0.00 O ATOM 513 CB TYR A 30 0.505 1.076 -3.315 1.00 0.00 C ATOM 514 CG TYR A 30 -0.800 1.329 -4.047 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.763 1.775 -5.376 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.043 1.078 -3.440 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.952 1.987 -6.092 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.233 1.349 -4.139 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.188 1.804 -5.464 1.00 0.00 C ATOM 520 OH TYR A 30 -4.336 2.077 -6.148 1.00 0.00 O ATOM 0 H TYR A 30 0.113 -1.404 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 30 1.406 -0.150 -4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.310 1.041 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.179 1.915 -3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.189 1.957 -5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.084 0.677 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.912 2.291 -7.127 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.186 1.206 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.110 1.898 -5.573 1.00 0.00 H new ATOM 530 N ASP A 31 3.647 -0.400 -3.740 1.00 0.00 N ATOM 531 CA ASP A 31 4.961 -0.453 -3.109 1.00 0.00 C ATOM 532 C ASP A 31 5.341 0.974 -2.751 1.00 0.00 C ATOM 533 O ASP A 31 5.479 1.807 -3.646 1.00 0.00 O ATOM 534 CB ASP A 31 6.040 -1.066 -4.014 1.00 0.00 C ATOM 535 CG ASP A 31 7.306 -1.347 -3.215 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.636 -0.515 -2.342 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.910 -2.421 -3.428 1.00 0.00 O ATOM 0 H ASP A 31 3.666 -0.335 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 31 4.903 -1.097 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.670 -1.990 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.264 -0.386 -4.836 1.00 0.00 H new ATOM 542 N LEU A 32 5.489 1.267 -1.458 1.00 0.00 N ATOM 543 CA LEU A 32 5.864 2.596 -1.008 1.00 0.00 C ATOM 544 C LEU A 32 7.221 2.548 -0.307 1.00 0.00 C ATOM 545 O LEU A 32 7.564 3.470 0.430 1.00 0.00 O ATOM 546 CB LEU A 32 4.748 3.152 -0.120 1.00 0.00 C ATOM 547 CG LEU A 32 3.361 3.064 -0.788 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.313 3.457 0.239 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.159 3.918 -2.052 1.00 0.00 C ATOM 0 H LEU A 32 5.352 0.593 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 32 5.979 3.273 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.730 2.603 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.965 4.192 0.122 1.00 0.00 H new ATOM 0 HG LEU A 32 3.268 2.033 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.322 3.402 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.363 2.776 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.501 4.476 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.147 3.773 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.308 4.970 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.878 3.617 -2.814 1.00 0.00 H new ATOM 561 N THR A 33 8.029 1.519 -0.582 1.00 0.00 N ATOM 562 CA THR A 33 9.336 1.315 0.027 1.00 0.00 C ATOM 563 C THR A 33 10.230 2.551 -0.117 1.00 0.00 C ATOM 564 O THR A 33 10.916 2.929 0.832 1.00 0.00 O ATOM 565 CB THR A 33 9.969 0.054 -0.582 1.00 0.00 C ATOM 566 OG1 THR A 33 9.137 -1.050 -0.296 1.00 0.00 O ATOM 567 CG2 THR A 33 11.372 -0.229 -0.043 1.00 0.00 C ATOM 0 H THR A 33 7.781 0.790 -1.251 1.00 0.00 H new ATOM 0 HA THR A 33 9.220 1.166 1.101 1.00 0.00 H new ATOM 0 HB THR A 33 10.064 0.219 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.328 -1.001 -0.846 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.766 -1.131 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.026 0.613 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.325 -0.370 1.037 1.00 0.00 H new ATOM 575 N LYS A 34 10.218 3.192 -1.291 1.00 0.00 N ATOM 576 CA LYS A 34 10.966 4.418 -1.548 1.00 0.00 C ATOM 577 C LYS A 34 10.071 5.660 -1.501 1.00 0.00 C ATOM 578 O LYS A 34 10.485 6.723 -1.954 1.00 0.00 O ATOM 579 CB LYS A 34 11.666 4.302 -2.906 1.00 0.00 C ATOM 580 CG LYS A 34 12.841 3.324 -2.833 1.00 0.00 C ATOM 581 CD LYS A 34 13.644 3.385 -4.142 1.00 0.00 C ATOM 582 CE LYS A 34 13.826 1.985 -4.742 1.00 0.00 C ATOM 583 NZ LYS A 34 14.506 2.036 -6.052 1.00 0.00 N ATOM 0 H LYS A 34 9.681 2.867 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 34 11.709 4.540 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.954 3.965 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.023 5.283 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.483 3.574 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.474 2.311 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.131 4.027 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.620 3.833 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.405 1.367 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.852 1.508 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.611 1.071 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.941 2.605 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.445 2.468 -5.939 1.00 0.00 H new ATOM 597 N PHE A 35 8.860 5.541 -0.953 1.00 0.00 N ATOM 598 CA PHE A 35 7.924 6.650 -0.832 1.00 0.00 C ATOM 599 C PHE A 35 7.633 6.967 0.634 1.00 0.00 C ATOM 600 O PHE A 35 6.933 7.927 0.921 1.00 0.00 O ATOM 601 CB PHE A 35 6.660 6.336 -1.629 1.00 0.00 C ATOM 602 CG PHE A 35 5.597 7.415 -1.629 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.869 8.693 -2.154 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.347 7.160 -1.045 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.857 9.668 -2.192 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.320 8.111 -1.126 1.00 0.00 C ATOM 607 CZ PHE A 35 3.576 9.369 -1.694 1.00 0.00 C ATOM 0 H PHE A 35 8.502 4.662 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 35 8.370 7.551 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.945 6.133 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.221 5.420 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.856 8.924 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.175 6.226 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.063 10.645 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.334 7.876 -0.752 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.789 10.107 -1.749 1.00 0.00 H new ATOM 617 N LEU A 36 8.191 6.199 1.571 1.00 0.00 N ATOM 618 CA LEU A 36 7.991 6.403 2.993 1.00 0.00 C ATOM 619 C LEU A 36 8.214 7.871 3.386 1.00 0.00 C ATOM 620 O LEU A 36 7.287 8.548 3.815 1.00 0.00 O ATOM 621 CB LEU A 36 8.925 5.452 3.751 1.00 0.00 C ATOM 622 CG LEU A 36 8.478 3.981 3.758 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.390 3.162 4.680 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.019 3.823 4.206 1.00 0.00 C ATOM 0 H LEU A 36 8.800 5.410 1.354 1.00 0.00 H new ATOM 0 HA LEU A 36 6.958 6.177 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.920 5.513 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.012 5.796 4.782 1.00 0.00 H new ATOM 0 HG LEU A 36 8.553 3.613 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.067 2.121 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.418 3.223 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.334 3.559 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.747 2.767 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.904 4.217 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.368 4.372 3.526 1.00 0.00 H new ATOM 636 N GLU A 37 9.437 8.379 3.225 1.00 0.00 N ATOM 637 CA GLU A 37 9.751 9.762 3.548 1.00 0.00 C ATOM 638 C GLU A 37 9.149 10.734 2.526 1.00 0.00 C ATOM 639 O GLU A 37 8.636 11.782 2.907 1.00 0.00 O ATOM 640 CB GLU A 37 11.272 9.902 3.674 1.00 0.00 C ATOM 641 CG GLU A 37 11.705 9.649 5.123 1.00 0.00 C ATOM 642 CD GLU A 37 13.181 9.283 5.210 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.994 10.224 5.309 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.463 8.063 5.148 1.00 0.00 O ATOM 0 H GLU A 37 10.229 7.844 2.869 1.00 0.00 H new ATOM 0 HA GLU A 37 9.297 10.029 4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.767 9.194 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.580 10.900 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.514 10.540 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.104 8.845 5.548 1.00 0.00 H new ATOM 651 N GLU A 38 9.215 10.400 1.232 1.00 0.00 N ATOM 652 CA GLU A 38 8.677 11.253 0.174 1.00 0.00 C ATOM 653 C GLU A 38 7.179 11.545 0.367 1.00 0.00 C ATOM 654 O GLU A 38 6.714 12.616 -0.016 1.00 0.00 O ATOM 655 CB GLU A 38 8.953 10.633 -1.206 1.00 0.00 C ATOM 656 CG GLU A 38 10.250 11.122 -1.875 1.00 0.00 C ATOM 657 CD GLU A 38 9.945 11.840 -3.186 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.605 13.039 -3.110 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.025 11.166 -4.234 1.00 0.00 O ATOM 0 H GLU A 38 9.640 9.537 0.894 1.00 0.00 H new ATOM 0 HA GLU A 38 9.190 12.213 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.999 9.549 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.113 10.854 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.781 11.795 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.909 10.275 -2.064 1.00 0.00 H new ATOM 666 N HIS A 39 6.414 10.607 0.933 1.00 0.00 N ATOM 667 CA HIS A 39 4.990 10.768 1.202 1.00 0.00 C ATOM 668 C HIS A 39 4.720 12.077 1.950 1.00 0.00 C ATOM 669 O HIS A 39 5.122 12.194 3.112 1.00 0.00 O ATOM 670 CB HIS A 39 4.466 9.558 1.983 1.00 0.00 C ATOM 671 CG HIS A 39 3.047 9.672 2.493 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.684 9.633 3.815 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.891 9.665 1.760 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.346 9.610 3.877 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.806 9.615 2.648 1.00 0.00 N ATOM 0 H HIS A 39 6.778 9.699 1.221 1.00 0.00 H new ATOM 0 HA HIS A 39 4.456 10.821 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.533 8.679 1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.125 9.384 2.833 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.321 9.623 4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.825 9.693 0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.777 9.590 4.795 1.00 0.00 H new ATOM 683 N PRO A 40 4.025 13.048 1.323 1.00 0.00 N ATOM 684 CA PRO A 40 3.716 14.329 1.935 1.00 0.00 C ATOM 685 C PRO A 40 2.689 14.113 3.046 1.00 0.00 C ATOM 686 O PRO A 40 1.494 14.328 2.871 1.00 0.00 O ATOM 687 CB PRO A 40 3.210 15.236 0.807 1.00 0.00 C ATOM 688 CG PRO A 40 2.739 14.279 -0.280 1.00 0.00 C ATOM 689 CD PRO A 40 3.479 12.967 -0.024 1.00 0.00 C ATOM 0 HA PRO A 40 4.579 14.801 2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.397 15.877 1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.001 15.891 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.660 14.135 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.967 14.670 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.803 12.117 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.274 12.823 -0.755 1.00 0.00 H new ATOM 697 N GLY A 41 3.184 13.651 4.189 1.00 0.00 N ATOM 698 CA GLY A 41 2.385 13.189 5.303 1.00 0.00 C ATOM 699 C GLY A 41 3.267 12.440 6.296 1.00 0.00 C ATOM 700 O GLY A 41 3.056 12.563 7.500 1.00 0.00 O ATOM 0 H GLY A 41 4.187 13.588 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.906 14.036 5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.589 12.536 4.945 1.00 0.00 H new ATOM 704 N GLY A 42 4.265 11.685 5.810 1.00 0.00 N ATOM 705 CA GLY A 42 5.194 10.989 6.688 1.00 0.00 C ATOM 706 C GLY A 42 5.436 9.545 6.326 1.00 0.00 C ATOM 707 O GLY A 42 4.674 8.952 5.566 1.00 0.00 O ATOM 0 H GLY A 42 4.442 11.547 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.147 11.517 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.814 11.036 7.708 1.00 0.00 H new ATOM 711 N GLU A 43 6.443 8.960 6.976 1.00 0.00 N ATOM 712 CA GLU A 43 6.740 7.555 6.833 1.00 0.00 C ATOM 713 C GLU A 43 5.904 6.753 7.835 1.00 0.00 C ATOM 714 O GLU A 43 5.294 5.759 7.460 1.00 0.00 O ATOM 715 CB GLU A 43 8.249 7.334 7.070 1.00 0.00 C ATOM 716 CG GLU A 43 8.670 5.861 7.269 1.00 0.00 C ATOM 717 CD GLU A 43 8.685 5.353 8.708 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.564 6.196 9.622 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.844 4.121 8.857 1.00 0.00 O ATOM 0 H GLU A 43 7.068 9.455 7.612 1.00 0.00 H new ATOM 0 HA GLU A 43 6.489 7.215 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.798 7.742 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.551 7.904 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.995 5.231 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.667 5.730 6.849 1.00 0.00 H new ATOM 726 N GLU A 44 5.875 7.164 9.110 1.00 0.00 N ATOM 727 CA GLU A 44 5.328 6.327 10.178 1.00 0.00 C ATOM 728 C GLU A 44 3.867 5.989 9.900 1.00 0.00 C ATOM 729 O GLU A 44 3.490 4.821 9.910 1.00 0.00 O ATOM 730 CB GLU A 44 5.504 6.978 11.558 1.00 0.00 C ATOM 731 CG GLU A 44 5.463 5.908 12.662 1.00 0.00 C ATOM 732 CD GLU A 44 5.527 6.521 14.055 1.00 0.00 C ATOM 733 OE1 GLU A 44 4.713 7.434 14.309 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.394 6.073 14.838 1.00 0.00 O ATOM 0 H GLU A 44 6.224 8.070 9.423 1.00 0.00 H new ATOM 0 HA GLU A 44 5.893 5.395 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.452 7.514 11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.716 7.712 11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.549 5.323 12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.298 5.219 12.530 1.00 0.00 H new ATOM 741 N VAL A 45 3.063 7.002 9.561 1.00 0.00 N ATOM 742 CA VAL A 45 1.691 6.814 9.121 1.00 0.00 C ATOM 743 C VAL A 45 1.626 5.726 8.040 1.00 0.00 C ATOM 744 O VAL A 45 0.709 4.914 8.034 1.00 0.00 O ATOM 745 CB VAL A 45 1.092 8.160 8.665 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.099 9.206 9.797 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.765 8.738 7.413 1.00 0.00 C ATOM 0 H VAL A 45 3.355 7.979 9.587 1.00 0.00 H new ATOM 0 HA VAL A 45 1.079 6.464 9.952 1.00 0.00 H new ATOM 0 HB VAL A 45 0.060 7.933 8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.669 10.139 9.433 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.509 8.838 10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.124 9.382 10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.293 9.685 7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.824 8.904 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.657 8.037 6.585 1.00 0.00 H new ATOM 757 N LEU A 46 2.625 5.662 7.154 1.00 0.00 N ATOM 758 CA LEU A 46 2.728 4.620 6.150 1.00 0.00 C ATOM 759 C LEU A 46 3.197 3.273 6.680 1.00 0.00 C ATOM 760 O LEU A 46 2.719 2.235 6.218 1.00 0.00 O ATOM 761 CB LEU A 46 3.503 5.096 4.913 1.00 0.00 C ATOM 762 CG LEU A 46 2.587 5.774 3.882 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.447 6.302 2.731 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.552 4.785 3.337 1.00 0.00 C ATOM 0 H LEU A 46 3.386 6.341 7.120 1.00 0.00 H new ATOM 0 HA LEU A 46 1.706 4.423 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.282 5.794 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.003 4.245 4.449 1.00 0.00 H new ATOM 0 HG LEU A 46 2.054 6.594 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.808 6.786 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.167 7.024 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.979 5.473 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.916 5.288 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.063 3.951 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.939 4.411 4.157 1.00 0.00 H new ATOM 776 N ARG A 47 4.110 3.269 7.643 1.00 0.00 N ATOM 777 CA ARG A 47 4.621 2.041 8.224 1.00 0.00 C ATOM 778 C ARG A 47 3.773 1.513 9.382 1.00 0.00 C ATOM 779 O ARG A 47 4.106 0.449 9.905 1.00 0.00 O ATOM 780 CB ARG A 47 6.090 2.226 8.633 1.00 0.00 C ATOM 781 CG ARG A 47 7.030 1.350 7.793 1.00 0.00 C ATOM 782 CD ARG A 47 8.118 0.737 8.673 1.00 0.00 C ATOM 783 NE ARG A 47 7.560 -0.355 9.494 1.00 0.00 N ATOM 784 CZ ARG A 47 8.303 -1.292 10.105 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.622 -1.098 10.217 1.00 0.00 N ATOM 786 NH2 ARG A 47 7.736 -2.405 10.587 1.00 0.00 N ATOM 0 H ARG A 47 4.514 4.117 8.040 1.00 0.00 H new ATOM 0 HA ARG A 47 4.559 1.273 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.370 3.273 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.208 1.978 9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.460 0.559 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.486 1.948 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.927 0.355 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.547 1.503 9.319 1.00 0.00 H new ATOM 0 HE ARG A 47 6.547 -0.401 9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.046 -0.250 9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.203 -1.798 10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.730 -2.547 10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.310 -3.110 11.049 1.00 0.00 H new ATOM 800 N GLU A 48 2.703 2.221 9.760 1.00 0.00 N ATOM 801 CA GLU A 48 1.848 1.903 10.887 1.00 0.00 C ATOM 802 C GLU A 48 1.407 0.445 10.841 1.00 0.00 C ATOM 803 O GLU A 48 1.699 -0.336 11.744 1.00 0.00 O ATOM 804 CB GLU A 48 0.645 2.866 10.889 1.00 0.00 C ATOM 805 CG GLU A 48 0.756 3.979 11.942 1.00 0.00 C ATOM 806 CD GLU A 48 0.482 3.487 13.363 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.823 2.319 13.645 1.00 0.00 O ATOM 808 OE2 GLU A 48 -0.058 4.296 14.147 1.00 0.00 O ATOM 0 H GLU A 48 2.406 3.061 9.264 1.00 0.00 H new ATOM 0 HA GLU A 48 2.402 2.033 11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.549 3.318 9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.267 2.296 11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.755 4.413 11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.052 4.775 11.697 1.00 0.00 H new ATOM 815 N GLN A 49 0.732 0.073 9.752 1.00 0.00 N ATOM 816 CA GLN A 49 0.325 -1.308 9.560 1.00 0.00 C ATOM 817 C GLN A 49 1.365 -1.987 8.686 1.00 0.00 C ATOM 818 O GLN A 49 2.092 -2.869 9.142 1.00 0.00 O ATOM 819 CB GLN A 49 -1.086 -1.360 8.957 1.00 0.00 C ATOM 820 CG GLN A 49 -2.154 -1.153 10.039 1.00 0.00 C ATOM 821 CD GLN A 49 -2.264 -2.347 10.987 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.714 -2.339 12.082 1.00 0.00 O ATOM 823 NE2 GLN A 49 -2.965 -3.397 10.571 1.00 0.00 N ATOM 0 H GLN A 49 0.461 0.706 9.000 1.00 0.00 H new ATOM 0 HA GLN A 49 0.273 -1.841 10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.186 -0.592 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.241 -2.321 8.467 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.916 -0.258 10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.120 -0.980 9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.414 -3.380 9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.054 -4.220 11.168 1.00 0.00 H new ATOM 832 N ALA A 50 1.423 -1.548 7.427 1.00 0.00 N ATOM 833 CA ALA A 50 2.188 -2.184 6.364 1.00 0.00 C ATOM 834 C ALA A 50 1.762 -3.646 6.129 1.00 0.00 C ATOM 835 O ALA A 50 1.122 -4.269 6.971 1.00 0.00 O ATOM 836 CB ALA A 50 3.684 -2.036 6.649 1.00 0.00 C ATOM 0 H ALA A 50 0.923 -0.716 7.115 1.00 0.00 H new ATOM 0 HA ALA A 50 1.972 -1.674 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.255 -2.513 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.942 -0.978 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.922 -2.512 7.600 1.00 0.00 H new ATOM 842 N GLY A 51 2.090 -4.185 4.952 1.00 0.00 N ATOM 843 CA GLY A 51 1.804 -5.554 4.532 1.00 0.00 C ATOM 844 C GLY A 51 0.417 -6.035 4.955 1.00 0.00 C ATOM 845 O GLY A 51 0.277 -7.115 5.528 1.00 0.00 O ATOM 0 H GLY A 51 2.584 -3.653 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.889 -5.620 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.557 -6.221 4.952 1.00 0.00 H new ATOM 849 N GLY A 52 -0.603 -5.223 4.678 1.00 0.00 N ATOM 850 CA GLY A 52 -1.944 -5.423 5.173 1.00 0.00 C ATOM 851 C GLY A 52 -2.827 -4.309 4.626 1.00 0.00 C ATOM 852 O GLY A 52 -2.362 -3.420 3.901 1.00 0.00 O ATOM 0 H GLY A 52 -0.507 -4.395 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.323 -6.396 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.952 -5.413 6.263 1.00 0.00 H new ATOM 856 N ASP A 53 -4.104 -4.390 4.983 1.00 0.00 N ATOM 857 CA ASP A 53 -5.182 -3.480 4.649 1.00 0.00 C ATOM 858 C ASP A 53 -5.011 -2.142 5.345 1.00 0.00 C ATOM 859 O ASP A 53 -5.550 -1.922 6.419 1.00 0.00 O ATOM 860 CB ASP A 53 -6.535 -4.143 4.988 1.00 0.00 C ATOM 861 CG ASP A 53 -6.573 -4.800 6.370 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.718 -5.689 6.588 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.469 -4.450 7.163 1.00 0.00 O ATOM 0 H ASP A 53 -4.434 -5.161 5.563 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.159 -3.273 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.322 -3.391 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.760 -4.896 4.232 1.00 0.00 H new ATOM 868 N ALA A 54 -4.319 -1.210 4.686 1.00 0.00 N ATOM 869 CA ALA A 54 -4.277 0.174 5.128 1.00 0.00 C ATOM 870 C ALA A 54 -5.409 0.989 4.489 1.00 0.00 C ATOM 871 O ALA A 54 -5.485 2.198 4.712 1.00 0.00 O ATOM 872 CB ALA A 54 -2.899 0.756 4.823 1.00 0.00 C ATOM 0 H ALA A 54 -3.779 -1.396 3.841 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.436 0.221 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.862 1.794 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.137 0.181 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.714 0.709 3.750 1.00 0.00 H new ATOM 878 N THR A 55 -6.293 0.351 3.702 1.00 0.00 N ATOM 879 CA THR A 55 -7.442 1.015 3.107 1.00 0.00 C ATOM 880 C THR A 55 -8.215 1.814 4.153 1.00 0.00 C ATOM 881 O THR A 55 -8.526 2.975 3.912 1.00 0.00 O ATOM 882 CB THR A 55 -8.402 0.016 2.440 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.699 -0.982 1.733 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.325 0.757 1.467 1.00 0.00 C ATOM 0 H THR A 55 -6.222 -0.639 3.467 1.00 0.00 H new ATOM 0 HA THR A 55 -7.049 1.688 2.345 1.00 0.00 H new ATOM 0 HB THR A 55 -8.985 -0.461 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.337 -1.602 1.322 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.004 0.046 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.903 1.504 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.726 1.249 0.700 1.00 0.00 H new ATOM 892 N GLU A 56 -8.529 1.180 5.292 1.00 0.00 N ATOM 893 CA GLU A 56 -9.308 1.786 6.366 1.00 0.00 C ATOM 894 C GLU A 56 -8.738 3.176 6.661 1.00 0.00 C ATOM 895 O GLU A 56 -9.435 4.179 6.574 1.00 0.00 O ATOM 896 CB GLU A 56 -9.286 0.874 7.613 1.00 0.00 C ATOM 897 CG GLU A 56 -10.646 0.757 8.326 1.00 0.00 C ATOM 898 CD GLU A 56 -10.549 1.069 9.818 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.735 0.404 10.499 1.00 0.00 O ATOM 900 OE2 GLU A 56 -11.305 1.963 10.249 1.00 0.00 O ATOM 0 H GLU A 56 -8.243 0.221 5.489 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.351 1.897 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.956 -0.122 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.549 1.258 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.357 1.439 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.038 -0.252 8.193 1.00 0.00 H new ATOM 907 N ASN A 57 -7.428 3.219 6.908 1.00 0.00 N ATOM 908 CA ASN A 57 -6.686 4.438 7.185 1.00 0.00 C ATOM 909 C ASN A 57 -6.781 5.414 6.011 1.00 0.00 C ATOM 910 O ASN A 57 -7.217 6.553 6.151 1.00 0.00 O ATOM 911 CB ASN A 57 -5.223 4.067 7.466 1.00 0.00 C ATOM 912 CG ASN A 57 -4.657 4.919 8.588 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.842 6.131 8.613 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.977 4.261 9.517 1.00 0.00 N ATOM 0 H ASN A 57 -6.844 2.383 6.920 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.113 4.935 8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.156 3.013 7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.628 4.205 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.574 4.765 10.307 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.857 3.251 9.441 1.00 0.00 H new ATOM 921 N PHE A 58 -6.382 4.938 4.828 1.00 0.00 N ATOM 922 CA PHE A 58 -6.383 5.697 3.583 1.00 0.00 C ATOM 923 C PHE A 58 -7.735 6.378 3.318 1.00 0.00 C ATOM 924 O PHE A 58 -7.760 7.495 2.799 1.00 0.00 O ATOM 925 CB PHE A 58 -5.978 4.750 2.447 1.00 0.00 C ATOM 926 CG PHE A 58 -5.975 5.344 1.053 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.936 6.201 0.652 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.007 5.028 0.150 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.976 6.815 -0.610 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.010 5.585 -1.139 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.010 6.502 -1.511 1.00 0.00 C ATOM 0 H PHE A 58 -6.040 3.984 4.711 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.662 6.512 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.980 4.367 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.655 3.896 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.105 6.388 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.798 4.356 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.213 7.527 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.780 5.310 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.036 6.965 -2.486 1.00 0.00 H new ATOM 941 N GLU A 59 -8.835 5.710 3.684 1.00 0.00 N ATOM 942 CA GLU A 59 -10.201 6.204 3.574 1.00 0.00 C ATOM 943 C GLU A 59 -10.590 7.077 4.770 1.00 0.00 C ATOM 944 O GLU A 59 -11.321 8.045 4.589 1.00 0.00 O ATOM 945 CB GLU A 59 -11.176 5.029 3.408 1.00 0.00 C ATOM 946 CG GLU A 59 -11.352 4.656 1.924 1.00 0.00 C ATOM 947 CD GLU A 59 -12.132 5.711 1.128 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.954 6.411 1.756 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.900 5.816 -0.096 1.00 0.00 O ATOM 0 H GLU A 59 -8.789 4.772 4.081 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.259 6.836 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.806 4.166 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.143 5.292 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.370 4.520 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.871 3.700 1.855 1.00 0.00 H new ATOM 956 N ASP A 60 -10.088 6.785 5.973 1.00 0.00 N ATOM 957 CA ASP A 60 -10.321 7.622 7.147 1.00 0.00 C ATOM 958 C ASP A 60 -9.919 9.067 6.842 1.00 0.00 C ATOM 959 O ASP A 60 -10.698 9.998 7.037 1.00 0.00 O ATOM 960 CB ASP A 60 -9.564 7.078 8.363 1.00 0.00 C ATOM 961 CG ASP A 60 -10.094 7.733 9.630 1.00 0.00 C ATOM 962 OD1 ASP A 60 -11.156 7.273 10.102 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.459 8.711 10.076 1.00 0.00 O ATOM 0 H ASP A 60 -9.511 5.964 6.157 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.383 7.603 7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.683 5.996 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.497 7.276 8.258 1.00 0.00 H new ATOM 968 N VAL A 61 -8.721 9.238 6.270 1.00 0.00 N ATOM 969 CA VAL A 61 -8.291 10.527 5.728 1.00 0.00 C ATOM 970 C VAL A 61 -8.926 10.842 4.367 1.00 0.00 C ATOM 971 O VAL A 61 -8.984 12.005 3.969 1.00 0.00 O ATOM 972 CB VAL A 61 -6.756 10.631 5.654 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.137 10.870 7.040 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.083 9.435 4.994 1.00 0.00 C ATOM 0 H VAL A 61 -8.031 8.494 6.172 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.649 11.282 6.428 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.568 11.494 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.053 10.938 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.525 11.800 7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.394 10.042 7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.004 9.586 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.316 8.530 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.447 9.331 3.972 1.00 0.00 H new ATOM 984 N GLY A 62 -9.342 9.834 3.599 1.00 0.00 N ATOM 985 CA GLY A 62 -9.996 10.013 2.307 1.00 0.00 C ATOM 986 C GLY A 62 -8.980 10.235 1.187 1.00 0.00 C ATOM 987 O GLY A 62 -9.064 9.590 0.138 1.00 0.00 O ATOM 0 H GLY A 62 -9.231 8.855 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.602 9.135 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.675 10.864 2.357 1.00 0.00 H new ATOM 991 N HIS A 63 -8.043 11.163 1.424 1.00 0.00 N ATOM 992 CA HIS A 63 -7.049 11.674 0.486 1.00 0.00 C ATOM 993 C HIS A 63 -7.689 12.481 -0.653 1.00 0.00 C ATOM 994 O HIS A 63 -8.875 12.354 -0.951 1.00 0.00 O ATOM 995 CB HIS A 63 -6.131 10.571 -0.065 1.00 0.00 C ATOM 996 CG HIS A 63 -5.086 10.067 0.895 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.269 9.123 1.876 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.751 10.369 0.851 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.061 8.888 2.424 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.092 9.611 1.825 1.00 0.00 N ATOM 0 H HIS A 63 -7.959 11.603 2.340 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.420 12.355 1.060 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.749 9.730 -0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.630 10.949 -0.956 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.151 8.684 2.139 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.285 11.074 0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.889 8.205 3.242 1.00 0.00 H new ATOM 1008 N SER A 64 -6.878 13.323 -1.300 1.00 0.00 N ATOM 1009 CA SER A 64 -7.282 14.058 -2.492 1.00 0.00 C ATOM 1010 C SER A 64 -7.213 13.155 -3.727 1.00 0.00 C ATOM 1011 O SER A 64 -6.579 12.100 -3.708 1.00 0.00 O ATOM 1012 CB SER A 64 -6.379 15.283 -2.669 1.00 0.00 C ATOM 1013 OG SER A 64 -6.504 16.141 -1.553 1.00 0.00 O ATOM 0 H SER A 64 -5.919 13.512 -1.007 1.00 0.00 H new ATOM 0 HA SER A 64 -8.313 14.391 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.342 14.967 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.650 15.816 -3.580 1.00 0.00 H new ATOM 0 HG SER A 64 -5.922 16.921 -1.673 1.00 0.00 H new ATOM 1019 N THR A 65 -7.836 13.590 -4.823 1.00 0.00 N ATOM 1020 CA THR A 65 -7.853 12.842 -6.075 1.00 0.00 C ATOM 1021 C THR A 65 -6.432 12.630 -6.606 1.00 0.00 C ATOM 1022 O THR A 65 -6.076 11.507 -6.964 1.00 0.00 O ATOM 1023 CB THR A 65 -8.780 13.529 -7.087 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.080 13.602 -6.531 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.875 12.741 -8.395 1.00 0.00 C ATOM 0 H THR A 65 -8.344 14.474 -4.865 1.00 0.00 H new ATOM 0 HA THR A 65 -8.259 11.846 -5.896 1.00 0.00 H new ATOM 0 HB THR A 65 -8.372 14.517 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.683 14.041 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.540 13.260 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.884 12.656 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.268 11.745 -8.192 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.609 13.683 -6.603 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.205 13.629 -6.992 1.00 0.00 C ATOM 1035 C ASP A 66 -3.508 12.419 -6.382 1.00 0.00 C ATOM 1036 O ASP A 66 -2.789 11.698 -7.065 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.505 14.914 -6.540 1.00 0.00 C ATOM 1038 CG ASP A 66 -4.052 16.118 -7.284 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.235 16.424 -7.009 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.296 16.683 -8.100 1.00 0.00 O ATOM 0 H ASP A 66 -5.912 14.616 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.150 13.537 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.643 15.050 -5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.432 14.830 -6.715 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.739 12.176 -5.091 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.162 11.042 -4.390 1.00 0.00 C ATOM 1047 C ALA A 67 -3.594 9.705 -5.003 1.00 0.00 C ATOM 1048 O ALA A 67 -2.787 8.781 -5.050 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.530 11.099 -2.909 1.00 0.00 C ATOM 0 H ALA A 67 -4.333 12.764 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.079 11.106 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.093 10.245 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.146 12.022 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.614 11.071 -2.802 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.842 9.576 -5.472 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.290 8.360 -6.152 1.00 0.00 C ATOM 1057 C ARG A 68 -4.545 8.175 -7.477 1.00 0.00 C ATOM 1058 O ARG A 68 -4.241 7.051 -7.877 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.804 8.359 -6.411 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.651 8.469 -5.136 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.057 7.889 -5.381 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.118 8.600 -4.643 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.441 8.467 -3.342 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.709 7.697 -2.534 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.512 9.106 -2.860 1.00 0.00 N ATOM 0 H ARG A 68 -5.556 10.300 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.064 7.528 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.050 9.190 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.073 7.443 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.165 7.933 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.728 9.512 -4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.278 7.928 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.064 6.838 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.670 9.269 -5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.896 7.202 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.963 7.604 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.078 9.689 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.763 9.010 -1.876 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.261 9.263 -8.192 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.447 9.144 -9.392 1.00 0.00 C ATOM 1081 C GLU A 69 -2.003 8.792 -9.018 1.00 0.00 C ATOM 1082 O GLU A 69 -1.394 7.901 -9.609 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.553 10.405 -10.254 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.989 10.564 -10.774 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.062 11.527 -11.951 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.340 11.263 -12.935 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.857 12.485 -11.851 1.00 0.00 O ATOM 0 H GLU A 69 -4.573 10.208 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.826 8.326 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.270 11.280 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.858 10.343 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.376 9.591 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.629 10.925 -9.969 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.456 9.447 -7.995 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.107 9.173 -7.528 1.00 0.00 C ATOM 1096 C LEU A 70 0.017 7.717 -7.076 1.00 0.00 C ATOM 1097 O LEU A 70 1.023 7.067 -7.349 1.00 0.00 O ATOM 1098 CB LEU A 70 0.288 10.151 -6.410 1.00 0.00 C ATOM 1099 CG LEU A 70 1.810 10.356 -6.375 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.246 11.355 -7.454 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.241 10.890 -5.005 1.00 0.00 C ATOM 0 H LEU A 70 -1.937 10.179 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 70 0.588 9.323 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.209 11.109 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.054 9.768 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 70 2.283 9.392 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.327 11.486 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.964 10.976 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.757 12.314 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.322 11.031 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.748 11.844 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.960 10.176 -4.231 1.00 0.00 H new ATOM 1113 N SER A 71 -1.014 7.183 -6.414 1.00 0.00 N ATOM 1114 CA SER A 71 -1.036 5.782 -6.038 1.00 0.00 C ATOM 1115 C SER A 71 -0.835 4.918 -7.275 1.00 0.00 C ATOM 1116 O SER A 71 -0.039 3.988 -7.240 1.00 0.00 O ATOM 1117 CB SER A 71 -2.302 5.421 -5.245 1.00 0.00 C ATOM 1118 OG SER A 71 -3.455 5.229 -6.032 1.00 0.00 O ATOM 0 H SER A 71 -1.842 7.708 -6.131 1.00 0.00 H new ATOM 0 HA SER A 71 -0.208 5.582 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.111 4.511 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.500 6.213 -4.522 1.00 0.00 H new ATOM 0 HG SER A 71 -3.571 5.993 -6.634 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.512 5.229 -8.386 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.315 4.500 -9.629 1.00 0.00 C ATOM 1126 C LYS A 72 0.175 4.406 -9.991 1.00 0.00 C ATOM 1127 O LYS A 72 0.661 3.322 -10.292 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.147 5.103 -10.771 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.234 4.147 -11.279 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.528 4.369 -10.486 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.624 3.404 -10.958 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.975 3.913 -10.639 1.00 0.00 N ATOM 0 H LYS A 72 -2.199 5.981 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.673 3.482 -9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.613 6.027 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.486 5.367 -11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.413 4.316 -12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.903 3.114 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.339 4.221 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.864 5.398 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.537 3.252 -12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.481 2.432 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.689 3.235 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.066 4.034 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.121 4.829 -11.109 1.00 0.00 H new ATOM 1146 N THR A 73 0.924 5.506 -9.905 1.00 0.00 N ATOM 1147 CA THR A 73 2.364 5.505 -10.142 1.00 0.00 C ATOM 1148 C THR A 73 3.135 4.545 -9.212 1.00 0.00 C ATOM 1149 O THR A 73 4.237 4.126 -9.561 1.00 0.00 O ATOM 1150 CB THR A 73 2.858 6.964 -10.097 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.560 7.584 -11.332 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.346 7.127 -9.802 1.00 0.00 C ATOM 0 H THR A 73 0.546 6.423 -9.668 1.00 0.00 H new ATOM 0 HA THR A 73 2.572 5.099 -11.132 1.00 0.00 H new ATOM 0 HB THR A 73 2.337 7.435 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.869 8.514 -11.314 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.601 8.187 -9.790 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.575 6.688 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.927 6.623 -10.574 1.00 0.00 H new ATOM 1160 N TYR A 74 2.572 4.164 -8.059 1.00 0.00 N ATOM 1161 CA TYR A 74 3.166 3.209 -7.126 1.00 0.00 C ATOM 1162 C TYR A 74 2.531 1.822 -7.235 1.00 0.00 C ATOM 1163 O TYR A 74 2.900 0.916 -6.485 1.00 0.00 O ATOM 1164 CB TYR A 74 3.008 3.738 -5.697 1.00 0.00 C ATOM 1165 CG TYR A 74 3.936 4.890 -5.382 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.322 4.664 -5.362 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.431 6.185 -5.168 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.207 5.743 -5.231 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.319 7.261 -4.994 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.706 7.043 -5.069 1.00 0.00 C ATOM 1171 OH TYR A 74 6.579 8.085 -4.994 1.00 0.00 O ATOM 0 H TYR A 74 1.670 4.522 -7.745 1.00 0.00 H new ATOM 0 HA TYR A 74 4.221 3.104 -7.380 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.977 4.059 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.195 2.927 -4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.706 3.658 -5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.364 6.352 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.273 5.574 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.937 8.253 -4.803 1.00 0.00 H new ATOM 0 HH TYR A 74 6.363 8.637 -4.214 1.00 0.00 H new ATOM 1181 N ILE A 75 1.547 1.652 -8.121 1.00 0.00 N ATOM 1182 CA ILE A 75 0.832 0.399 -8.244 1.00 0.00 C ATOM 1183 C ILE A 75 1.797 -0.652 -8.766 1.00 0.00 C ATOM 1184 O ILE A 75 2.452 -0.442 -9.786 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.432 0.576 -9.104 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.523 -0.416 -8.663 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.185 0.425 -10.618 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.908 0.015 -9.151 1.00 0.00 C ATOM 0 H ILE A 75 1.232 2.378 -8.764 1.00 0.00 H new ATOM 0 HA ILE A 75 0.467 0.057 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.759 1.603 -8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.292 -1.408 -9.052 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.527 -0.493 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.123 0.563 -11.155 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.535 1.175 -10.946 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.208 -0.570 -10.825 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.652 -0.710 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.149 0.996 -8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.910 0.066 -10.240 1.00 0.00 H new ATOM 1200 N ILE A 76 1.906 -1.770 -8.054 1.00 0.00 N ATOM 1201 CA ILE A 76 2.714 -2.882 -8.524 1.00 0.00 C ATOM 1202 C ILE A 76 1.786 -3.953 -9.073 1.00 0.00 C ATOM 1203 O ILE A 76 1.986 -4.392 -10.201 1.00 0.00 O ATOM 1204 CB ILE A 76 3.703 -3.353 -7.445 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.994 -3.870 -6.182 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.662 -2.192 -7.138 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.934 -4.198 -5.025 1.00 0.00 C ATOM 0 H ILE A 76 1.447 -1.926 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 76 3.362 -2.578 -9.346 1.00 0.00 H new ATOM 0 HB ILE A 76 4.268 -4.206 -7.820 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.276 -3.120 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.426 -4.764 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.375 -2.501 -6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.199 -1.915 -8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.093 -1.335 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.353 -4.556 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.637 -4.971 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.484 -3.302 -4.738 1.00 0.00 H new ATOM 1219 N GLY A 77 0.765 -4.336 -8.303 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.159 -5.407 -8.630 1.00 0.00 C ATOM 1221 C GLY A 77 -1.318 -5.367 -7.638 1.00 0.00 C ATOM 1222 O GLY A 77 -1.567 -4.326 -7.029 1.00 0.00 O ATOM 0 H GLY A 77 0.558 -3.891 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.528 -5.291 -9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.347 -6.371 -8.583 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.022 -6.485 -7.480 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.300 -6.592 -6.792 1.00 0.00 C ATOM 1228 C GLU A 78 -3.270 -7.745 -5.789 1.00 0.00 C ATOM 1229 O GLU A 78 -2.240 -8.386 -5.604 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.408 -6.806 -7.832 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.305 -5.836 -9.017 1.00 0.00 C ATOM 1232 CD GLU A 78 -3.536 -6.396 -10.214 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -2.523 -7.115 -10.016 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -3.984 -6.054 -11.326 1.00 0.00 O ATOM 0 H GLU A 78 -1.700 -7.381 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.497 -5.674 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.361 -7.830 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.379 -6.685 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.310 -5.564 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.819 -4.920 -8.682 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.392 -8.008 -5.120 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.508 -9.107 -4.168 1.00 0.00 C ATOM 1243 C LEU A 79 -5.022 -10.357 -4.871 1.00 0.00 C ATOM 1244 O LEU A 79 -6.007 -10.275 -5.602 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.476 -8.709 -3.061 1.00 0.00 C ATOM 1246 CG LEU A 79 -4.788 -7.754 -2.080 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.623 -6.490 -1.932 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.602 -8.448 -0.729 1.00 0.00 C ATOM 0 H LEU A 79 -5.247 -7.462 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.527 -9.320 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.356 -8.230 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.823 -9.597 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.805 -7.478 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.134 -5.810 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.722 -6.004 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.612 -6.749 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.112 -7.766 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.575 -8.735 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.986 -9.338 -0.859 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.357 -11.495 -4.635 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.655 -12.787 -5.245 1.00 0.00 C ATOM 1262 C HIS A 80 -6.163 -13.084 -5.325 1.00 0.00 C ATOM 1263 O HIS A 80 -6.870 -12.904 -4.331 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.913 -13.871 -4.460 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.497 -15.053 -5.287 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.974 -16.330 -5.157 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.587 -15.052 -6.311 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.403 -17.077 -6.114 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.542 -16.345 -6.845 1.00 0.00 N ATOM 0 H HIS A 80 -3.568 -11.538 -3.989 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.313 -12.768 -6.280 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.026 -13.431 -4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.552 -14.217 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.008 -14.205 -6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.607 -18.125 -6.276 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.973 -16.667 -7.628 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.669 -13.553 -6.482 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.098 -13.696 -6.705 1.00 0.00 C ATOM 1279 C PRO A 81 -8.706 -14.700 -5.726 1.00 0.00 C ATOM 1280 O PRO A 81 -9.849 -14.533 -5.300 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.267 -14.106 -8.169 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.928 -14.737 -8.546 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.914 -14.091 -7.604 1.00 0.00 C ATOM 0 HA PRO A 81 -8.633 -12.764 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.087 -14.813 -8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.492 -13.245 -8.799 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.951 -15.819 -8.420 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.679 -14.543 -9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.182 -14.823 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.361 -13.301 -8.113 1.00 0.00 H new