USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 25 LYS NZ :NH3+ -124:sc= 0.066 (180deg=0) USER MOD Set 1.2: A 26 ASN : amide:sc= -2.17! C(o=-2.1!,f=-3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.41 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -6.11! C(o=-6.1!,f=-13!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.1) USER MOD Single : A 50 GLN : amide:sc= 0.999 K(o=1,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00933 K(o=-0.0093,f=-1.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.31 USER MOD Single : A 71 ASN : amide:sc= -1.38! X(o=-1.4!,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= -0.0474 (180deg=-0.356) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.9) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.208 F(o=-2.9,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 2.827 -14.605 6.128 1.00 0.00 N ATOM 24 CA GLU A 4 3.771 -13.612 6.612 1.00 0.00 C ATOM 25 C GLU A 4 4.655 -13.116 5.465 1.00 0.00 C ATOM 26 O GLU A 4 5.270 -12.055 5.564 1.00 0.00 O ATOM 27 CB GLU A 4 4.619 -14.173 7.754 1.00 0.00 C ATOM 28 CG GLU A 4 4.329 -13.436 9.064 1.00 0.00 C ATOM 29 CD GLU A 4 3.348 -14.228 9.932 1.00 0.00 C ATOM 30 OE1 GLU A 4 3.598 -15.439 10.113 1.00 0.00 O ATOM 31 OE2 GLU A 4 2.369 -13.602 10.394 1.00 0.00 O ATOM 0 HA GLU A 4 3.208 -12.765 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.413 -15.236 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.676 -14.080 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.259 -13.279 9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.916 -12.451 8.848 1.00 0.00 H new ATOM 38 N ALA A 5 4.691 -13.908 4.403 1.00 0.00 N ATOM 39 CA ALA A 5 5.489 -13.562 3.239 1.00 0.00 C ATOM 40 C ALA A 5 4.812 -12.418 2.483 1.00 0.00 C ATOM 41 O ALA A 5 5.391 -11.854 1.555 1.00 0.00 O ATOM 42 CB ALA A 5 5.683 -14.804 2.366 1.00 0.00 C ATOM 0 H ALA A 5 4.181 -14.788 4.324 1.00 0.00 H new ATOM 0 HA ALA A 5 6.478 -13.217 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.282 -14.545 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.195 -15.576 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.711 -15.177 2.042 1.00 0.00 H new ATOM 48 N ILE A 6 3.596 -12.109 2.907 1.00 0.00 N ATOM 49 CA ILE A 6 2.834 -11.041 2.281 1.00 0.00 C ATOM 50 C ILE A 6 3.026 -9.749 3.077 1.00 0.00 C ATOM 51 O ILE A 6 3.481 -8.743 2.535 1.00 0.00 O ATOM 52 CB ILE A 6 1.369 -11.452 2.120 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.122 -12.074 0.744 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.435 -10.270 2.391 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.353 -12.439 0.565 1.00 0.00 C ATOM 0 H ILE A 6 3.119 -12.579 3.676 1.00 0.00 H new ATOM 0 HA ILE A 6 3.201 -10.852 1.272 1.00 0.00 H new ATOM 0 HB ILE A 6 1.145 -12.217 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.424 -11.374 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.738 -12.966 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.600 -10.589 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.587 -9.912 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.652 -9.466 1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.502 -12.879 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.646 -13.157 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.964 -11.541 0.657 1.00 0.00 H new ATOM 67 N LYS A 7 2.670 -9.818 4.352 1.00 0.00 N ATOM 68 CA LYS A 7 2.799 -8.666 5.228 1.00 0.00 C ATOM 69 C LYS A 7 4.224 -8.117 5.137 1.00 0.00 C ATOM 70 O LYS A 7 4.440 -6.914 5.275 1.00 0.00 O ATOM 71 CB LYS A 7 2.367 -9.024 6.652 1.00 0.00 C ATOM 72 CG LYS A 7 1.464 -7.940 7.241 1.00 0.00 C ATOM 73 CD LYS A 7 2.018 -7.428 8.572 1.00 0.00 C ATOM 74 CE LYS A 7 2.849 -6.160 8.369 1.00 0.00 C ATOM 75 NZ LYS A 7 3.359 -5.661 9.666 1.00 0.00 N ATOM 0 H LYS A 7 2.292 -10.654 4.799 1.00 0.00 H new ATOM 0 HA LYS A 7 2.129 -7.868 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.840 -9.978 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.248 -9.150 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.377 -7.112 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.461 -8.339 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.196 -7.222 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.633 -8.200 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.683 -6.368 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.241 -5.392 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.921 -4.800 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.559 -5.443 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.956 -6.389 10.107 1.00 0.00 H new ATOM 89 N ASN A 8 5.160 -9.026 4.906 1.00 0.00 N ATOM 90 CA ASN A 8 6.558 -8.647 4.795 1.00 0.00 C ATOM 91 C ASN A 8 6.790 -7.951 3.452 1.00 0.00 C ATOM 92 O ASN A 8 7.291 -6.829 3.408 1.00 0.00 O ATOM 93 CB ASN A 8 7.468 -9.877 4.853 1.00 0.00 C ATOM 94 CG ASN A 8 8.818 -9.531 5.485 1.00 0.00 C ATOM 95 OD1 ASN A 8 9.367 -8.460 5.290 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.318 -10.495 6.252 1.00 0.00 N ATOM 0 H ASN A 8 4.978 -10.023 4.793 1.00 0.00 H new ATOM 0 HA ASN A 8 6.794 -7.983 5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.984 -10.665 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.623 -10.267 3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.214 -10.361 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.805 -11.368 6.372 1.00 0.00 H new ATOM 103 N GLY A 9 6.413 -8.647 2.389 1.00 0.00 N ATOM 104 CA GLY A 9 6.572 -8.110 1.049 1.00 0.00 C ATOM 105 C GLY A 9 5.784 -6.810 0.881 1.00 0.00 C ATOM 106 O GLY A 9 6.209 -5.911 0.157 1.00 0.00 O ATOM 0 H GLY A 9 5.998 -9.578 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.628 -7.927 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.232 -8.843 0.317 1.00 0.00 H new ATOM 110 N VAL A 10 4.649 -6.751 1.563 1.00 0.00 N ATOM 111 CA VAL A 10 3.797 -5.576 1.499 1.00 0.00 C ATOM 112 C VAL A 10 4.521 -4.391 2.143 1.00 0.00 C ATOM 113 O VAL A 10 4.303 -3.243 1.759 1.00 0.00 O ATOM 114 CB VAL A 10 2.445 -5.874 2.148 1.00 0.00 C ATOM 115 CG1 VAL A 10 2.420 -5.405 3.604 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.302 -5.243 1.349 1.00 0.00 C ATOM 0 H VAL A 10 4.300 -7.499 2.163 1.00 0.00 H new ATOM 0 HA VAL A 10 3.593 -5.308 0.462 1.00 0.00 H new ATOM 0 HB VAL A 10 2.302 -6.955 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.447 -5.629 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.198 -5.921 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.597 -4.330 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.352 -5.470 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.439 -4.162 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.300 -5.646 0.336 1.00 0.00 H new ATOM 126 N LEU A 11 5.369 -4.712 3.109 1.00 0.00 N ATOM 127 CA LEU A 11 6.127 -3.688 3.809 1.00 0.00 C ATOM 128 C LEU A 11 7.399 -3.371 3.020 1.00 0.00 C ATOM 129 O LEU A 11 7.801 -2.213 2.922 1.00 0.00 O ATOM 130 CB LEU A 11 6.390 -4.112 5.256 1.00 0.00 C ATOM 131 CG LEU A 11 6.426 -2.983 6.289 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.281 -1.995 6.061 1.00 0.00 C ATOM 133 CD2 LEU A 11 6.425 -3.544 7.712 1.00 0.00 C ATOM 0 H LEU A 11 5.548 -5.666 3.423 1.00 0.00 H new ATOM 0 HA LEU A 11 5.552 -2.764 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.619 -4.824 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.342 -4.641 5.292 1.00 0.00 H new ATOM 0 HG LEU A 11 7.357 -2.431 6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.330 -1.203 6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.368 -1.560 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.328 -2.517 6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.451 -2.722 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.522 -4.134 7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.301 -4.176 7.854 1.00 0.00 H new ATOM 145 N ASP A 12 7.996 -4.422 2.477 1.00 0.00 N ATOM 146 CA ASP A 12 9.214 -4.271 1.700 1.00 0.00 C ATOM 147 C ASP A 12 8.909 -3.468 0.433 1.00 0.00 C ATOM 148 O ASP A 12 9.799 -2.837 -0.135 1.00 0.00 O ATOM 149 CB ASP A 12 9.770 -5.631 1.276 1.00 0.00 C ATOM 150 CG ASP A 12 11.297 -5.725 1.241 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.916 -4.730 0.807 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.810 -6.788 1.651 1.00 0.00 O ATOM 0 H ASP A 12 7.659 -5.381 2.560 1.00 0.00 H new ATOM 0 HA ASP A 12 9.949 -3.760 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.390 -6.391 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.384 -5.871 0.285 1.00 0.00 H new ATOM 157 N ILE A 13 7.650 -3.521 0.026 1.00 0.00 N ATOM 158 CA ILE A 13 7.216 -2.808 -1.163 1.00 0.00 C ATOM 159 C ILE A 13 6.730 -1.412 -0.766 1.00 0.00 C ATOM 160 O ILE A 13 6.628 -0.524 -1.611 1.00 0.00 O ATOM 161 CB ILE A 13 6.175 -3.627 -1.929 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.842 -4.498 -2.996 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.094 -2.722 -2.522 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.212 -5.893 -3.037 1.00 0.00 C ATOM 0 H ILE A 13 6.915 -4.047 0.499 1.00 0.00 H new ATOM 0 HA ILE A 13 8.050 -2.672 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 13 5.682 -4.298 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.745 -4.022 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.908 -4.583 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.367 -3.329 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.592 -2.181 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.552 -2.010 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.704 -6.492 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.332 -6.375 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.151 -5.806 -3.270 1.00 0.00 H new ATOM 176 N LEU A 14 6.442 -1.263 0.518 1.00 0.00 N ATOM 177 CA LEU A 14 5.969 0.009 1.037 1.00 0.00 C ATOM 178 C LEU A 14 7.167 0.917 1.319 1.00 0.00 C ATOM 179 O LEU A 14 7.190 2.071 0.894 1.00 0.00 O ATOM 180 CB LEU A 14 5.065 -0.210 2.251 1.00 0.00 C ATOM 181 CG LEU A 14 3.560 -0.224 1.973 1.00 0.00 C ATOM 182 CD1 LEU A 14 3.011 1.200 1.859 1.00 0.00 C ATOM 183 CD2 LEU A 14 3.239 -1.063 0.735 1.00 0.00 C ATOM 0 H LEU A 14 6.527 -2.003 1.215 1.00 0.00 H new ATOM 0 HA LEU A 14 5.351 0.516 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.337 -1.158 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.273 0.574 2.980 1.00 0.00 H new ATOM 0 HG LEU A 14 3.060 -0.695 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.940 1.162 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.189 1.734 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.513 1.719 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.163 -1.056 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.750 -0.643 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.574 -2.088 0.893 1.00 0.00 H new ATOM 195 N ALA A 15 8.135 0.361 2.033 1.00 0.00 N ATOM 196 CA ALA A 15 9.334 1.107 2.378 1.00 0.00 C ATOM 197 C ALA A 15 10.051 1.531 1.094 1.00 0.00 C ATOM 198 O ALA A 15 10.579 2.639 1.011 1.00 0.00 O ATOM 199 CB ALA A 15 10.221 0.256 3.288 1.00 0.00 C ATOM 0 H ALA A 15 8.114 -0.597 2.382 1.00 0.00 H new ATOM 0 HA ALA A 15 9.078 2.013 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.120 0.816 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.675 0.006 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.501 -0.661 2.769 1.00 0.00 H new ATOM 205 N ASP A 16 10.048 0.627 0.126 1.00 0.00 N ATOM 206 CA ASP A 16 10.691 0.893 -1.149 1.00 0.00 C ATOM 207 C ASP A 16 9.855 1.903 -1.937 1.00 0.00 C ATOM 208 O ASP A 16 10.391 2.663 -2.742 1.00 0.00 O ATOM 209 CB ASP A 16 10.804 -0.383 -1.986 1.00 0.00 C ATOM 210 CG ASP A 16 12.231 -0.890 -2.203 1.00 0.00 C ATOM 211 OD1 ASP A 16 13.161 -0.094 -1.953 1.00 0.00 O ATOM 212 OD2 ASP A 16 12.359 -2.064 -2.613 1.00 0.00 O ATOM 0 H ASP A 16 9.610 -0.291 0.199 1.00 0.00 H new ATOM 0 HA ASP A 16 11.689 1.282 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.225 -1.169 -1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.347 -0.203 -2.959 1.00 0.00 H new ATOM 217 N LEU A 17 8.556 1.879 -1.676 1.00 0.00 N ATOM 218 CA LEU A 17 7.641 2.783 -2.351 1.00 0.00 C ATOM 219 C LEU A 17 7.989 4.225 -1.980 1.00 0.00 C ATOM 220 O LEU A 17 8.206 5.061 -2.856 1.00 0.00 O ATOM 221 CB LEU A 17 6.191 2.403 -2.046 1.00 0.00 C ATOM 222 CG LEU A 17 5.449 1.650 -3.152 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.401 0.745 -3.935 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.258 0.874 -2.585 1.00 0.00 C ATOM 0 H LEU A 17 8.116 1.248 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 17 7.749 2.697 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.179 1.790 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.637 3.314 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 17 5.051 2.383 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.847 0.222 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.185 1.349 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.850 0.018 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.749 0.348 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.611 0.153 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.565 1.568 -2.110 1.00 0.00 H new ATOM 236 N THR A 18 8.033 4.474 -0.678 1.00 0.00 N ATOM 237 CA THR A 18 8.352 5.800 -0.180 1.00 0.00 C ATOM 238 C THR A 18 9.856 6.062 -0.284 1.00 0.00 C ATOM 239 O THR A 18 10.278 7.194 -0.519 1.00 0.00 O ATOM 240 CB THR A 18 7.813 5.912 1.248 1.00 0.00 C ATOM 241 OG1 THR A 18 8.779 5.224 2.037 1.00 0.00 O ATOM 242 CG2 THR A 18 6.526 5.111 1.451 1.00 0.00 C ATOM 0 H THR A 18 7.853 3.779 0.046 1.00 0.00 H new ATOM 0 HA THR A 18 7.877 6.573 -0.784 1.00 0.00 H new ATOM 0 HB THR A 18 7.630 6.960 1.487 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.509 5.248 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.186 5.224 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.757 5.480 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.717 4.058 1.246 1.00 0.00 H new ATOM 250 N GLY A 19 10.623 4.998 -0.105 1.00 0.00 N ATOM 251 CA GLY A 19 12.071 5.097 -0.175 1.00 0.00 C ATOM 252 C GLY A 19 12.683 5.186 1.224 1.00 0.00 C ATOM 253 O GLY A 19 13.904 5.152 1.375 1.00 0.00 O ATOM 0 H GLY A 19 10.269 4.061 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.474 4.229 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.351 5.976 -0.755 1.00 0.00 H new ATOM 257 N SER A 20 11.808 5.296 2.212 1.00 0.00 N ATOM 258 CA SER A 20 12.247 5.388 3.594 1.00 0.00 C ATOM 259 C SER A 20 11.583 4.292 4.429 1.00 0.00 C ATOM 260 O SER A 20 10.551 3.749 4.039 1.00 0.00 O ATOM 261 CB SER A 20 11.933 6.766 4.180 1.00 0.00 C ATOM 262 OG SER A 20 13.064 7.632 4.147 1.00 0.00 O ATOM 0 H SER A 20 10.797 5.324 2.083 1.00 0.00 H new ATOM 0 HA SER A 20 13.328 5.249 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.114 7.219 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.593 6.653 5.209 1.00 0.00 H new ATOM 0 HG SER A 20 12.821 8.502 4.528 1.00 0.00 H new ATOM 268 N ASP A 21 12.204 3.998 5.562 1.00 0.00 N ATOM 269 CA ASP A 21 11.686 2.976 6.456 1.00 0.00 C ATOM 270 C ASP A 21 10.852 3.638 7.554 1.00 0.00 C ATOM 271 O ASP A 21 11.044 3.362 8.737 1.00 0.00 O ATOM 272 CB ASP A 21 12.824 2.203 7.127 1.00 0.00 C ATOM 273 CG ASP A 21 12.461 0.790 7.589 1.00 0.00 C ATOM 274 OD1 ASP A 21 11.855 0.064 6.772 1.00 0.00 O ATOM 275 OD2 ASP A 21 12.799 0.469 8.749 1.00 0.00 O ATOM 0 H ASP A 21 13.061 4.450 5.881 1.00 0.00 H new ATOM 0 HA ASP A 21 11.081 2.288 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.659 2.138 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.172 2.773 7.989 1.00 0.00 H new ATOM 280 N ASP A 22 9.944 4.501 7.123 1.00 0.00 N ATOM 281 CA ASP A 22 9.080 5.207 8.056 1.00 0.00 C ATOM 282 C ASP A 22 7.708 4.529 8.085 1.00 0.00 C ATOM 283 O ASP A 22 7.014 4.569 9.099 1.00 0.00 O ATOM 284 CB ASP A 22 8.879 6.661 7.627 1.00 0.00 C ATOM 285 CG ASP A 22 9.330 7.704 8.652 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.368 7.345 9.849 1.00 0.00 O ATOM 287 OD2 ASP A 22 9.625 8.838 8.216 1.00 0.00 O ATOM 0 H ASP A 22 9.787 4.728 6.141 1.00 0.00 H new ATOM 0 HA ASP A 22 9.552 5.183 9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.422 6.828 6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.822 6.818 7.412 1.00 0.00 H new ATOM 292 N VAL A 23 7.359 3.921 6.960 1.00 0.00 N ATOM 293 CA VAL A 23 6.084 3.236 6.845 1.00 0.00 C ATOM 294 C VAL A 23 6.239 1.793 7.330 1.00 0.00 C ATOM 295 O VAL A 23 5.257 1.149 7.699 1.00 0.00 O ATOM 296 CB VAL A 23 5.567 3.330 5.408 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.633 2.871 4.411 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.275 2.530 5.236 1.00 0.00 C ATOM 0 H VAL A 23 7.938 3.889 6.121 1.00 0.00 H new ATOM 0 HA VAL A 23 5.336 3.714 7.478 1.00 0.00 H new ATOM 0 HB VAL A 23 5.342 4.376 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.240 2.948 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.516 3.502 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.903 1.835 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.929 2.614 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.462 1.482 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.512 2.923 5.908 1.00 0.00 H new ATOM 308 N LYS A 24 7.479 1.327 7.315 1.00 0.00 N ATOM 309 CA LYS A 24 7.776 -0.027 7.750 1.00 0.00 C ATOM 310 C LYS A 24 7.474 -0.156 9.244 1.00 0.00 C ATOM 311 O LYS A 24 7.272 -1.261 9.747 1.00 0.00 O ATOM 312 CB LYS A 24 9.210 -0.407 7.376 1.00 0.00 C ATOM 313 CG LYS A 24 9.509 -1.859 7.760 1.00 0.00 C ATOM 314 CD LYS A 24 10.181 -1.935 9.132 1.00 0.00 C ATOM 315 CE LYS A 24 10.029 -3.332 9.739 1.00 0.00 C ATOM 316 NZ LYS A 24 10.024 -3.256 11.217 1.00 0.00 N ATOM 0 H LYS A 24 8.290 1.864 7.008 1.00 0.00 H new ATOM 0 HA LYS A 24 7.137 -0.743 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.358 -0.272 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.910 0.258 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.583 -2.434 7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.156 -2.312 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.239 -1.689 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.740 -1.194 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.103 -3.788 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.846 -3.971 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.920 -4.212 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.918 -2.840 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.230 -2.663 11.531 1.00 0.00 H new ATOM 330 N LYS A 25 7.456 0.988 9.912 1.00 0.00 N ATOM 331 CA LYS A 25 7.183 1.017 11.340 1.00 0.00 C ATOM 332 C LYS A 25 5.777 1.572 11.575 1.00 0.00 C ATOM 333 O LYS A 25 5.006 1.011 12.350 1.00 0.00 O ATOM 334 CB LYS A 25 8.281 1.784 12.079 1.00 0.00 C ATOM 335 CG LYS A 25 8.262 3.267 11.702 1.00 0.00 C ATOM 336 CD LYS A 25 7.262 4.040 12.564 1.00 0.00 C ATOM 337 CE LYS A 25 7.980 4.834 13.657 1.00 0.00 C ATOM 338 NZ LYS A 25 7.086 5.872 14.217 1.00 0.00 N ATOM 0 H LYS A 25 7.626 1.902 9.492 1.00 0.00 H new ATOM 0 HA LYS A 25 7.199 0.008 11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.143 1.677 13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.254 1.356 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.259 3.690 11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.000 3.375 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.684 4.719 11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.555 3.346 13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.306 4.160 14.450 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.876 5.300 13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.540 6.804 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.187 5.875 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.902 5.668 15.220 1.00 0.00 H new ATOM 352 N ASN A 26 5.488 2.671 10.892 1.00 0.00 N ATOM 353 CA ASN A 26 4.189 3.309 11.017 1.00 0.00 C ATOM 354 C ASN A 26 3.137 2.459 10.300 1.00 0.00 C ATOM 355 O ASN A 26 3.436 1.810 9.299 1.00 0.00 O ATOM 356 CB ASN A 26 4.193 4.697 10.374 1.00 0.00 C ATOM 357 CG ASN A 26 4.608 5.768 11.385 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.241 5.735 12.548 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.391 6.716 10.878 1.00 0.00 N ATOM 0 H ASN A 26 6.131 3.135 10.251 1.00 0.00 H new ATOM 0 HA ASN A 26 3.961 3.404 12.079 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.878 4.707 9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.201 4.924 9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.722 7.476 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.661 6.683 9.895 1.00 0.00 H new ATOM 366 N LEU A 27 1.928 2.492 10.841 1.00 0.00 N ATOM 367 CA LEU A 27 0.830 1.734 10.265 1.00 0.00 C ATOM 368 C LEU A 27 -0.346 2.673 9.992 1.00 0.00 C ATOM 369 O LEU A 27 -1.497 2.242 9.965 1.00 0.00 O ATOM 370 CB LEU A 27 0.472 0.546 11.161 1.00 0.00 C ATOM 371 CG LEU A 27 1.601 -0.450 11.437 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.360 -1.203 12.747 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.792 -1.403 10.256 1.00 0.00 C ATOM 0 H LEU A 27 1.685 3.032 11.672 1.00 0.00 H new ATOM 0 HA LEU A 27 1.125 1.306 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.113 0.931 12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.357 0.007 10.702 1.00 0.00 H new ATOM 0 HG LEU A 27 2.529 0.110 11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.177 -1.904 12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.312 -0.492 13.572 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.419 -1.750 12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.600 -2.100 10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.870 -1.959 10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.042 -0.830 9.363 1.00 0.00 H new ATOM 385 N ASP A 28 -0.014 3.942 9.796 1.00 0.00 N ATOM 386 CA ASP A 28 -1.029 4.946 9.525 1.00 0.00 C ATOM 387 C ASP A 28 -0.356 6.216 8.999 1.00 0.00 C ATOM 388 O ASP A 28 -0.852 7.320 9.214 1.00 0.00 O ATOM 389 CB ASP A 28 -1.797 5.310 10.798 1.00 0.00 C ATOM 390 CG ASP A 28 -3.311 5.103 10.721 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.729 3.932 10.849 1.00 0.00 O ATOM 392 OD2 ASP A 28 -4.014 6.119 10.537 1.00 0.00 O ATOM 0 H ASP A 28 0.942 4.297 9.820 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.722 4.536 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.406 4.715 11.623 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.600 6.355 11.037 1.00 0.00 H new ATOM 397 N LEU A 29 0.765 6.015 8.321 1.00 0.00 N ATOM 398 CA LEU A 29 1.511 7.130 7.762 1.00 0.00 C ATOM 399 C LEU A 29 1.068 7.362 6.316 1.00 0.00 C ATOM 400 O LEU A 29 1.475 6.630 5.415 1.00 0.00 O ATOM 401 CB LEU A 29 3.016 6.898 7.916 1.00 0.00 C ATOM 402 CG LEU A 29 3.925 7.955 7.286 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.127 9.139 8.233 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.255 7.340 6.843 1.00 0.00 C ATOM 0 H LEU A 29 1.174 5.097 8.146 1.00 0.00 H new ATOM 0 HA LEU A 29 1.295 8.046 8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.247 6.836 8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.261 5.930 7.479 1.00 0.00 H new ATOM 0 HG LEU A 29 3.434 8.339 6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.777 9.876 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.163 9.596 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.586 8.791 9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.883 8.112 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.763 6.912 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.067 6.558 6.108 1.00 0.00 H new ATOM 416 N ASN A 30 0.242 8.382 6.140 1.00 0.00 N ATOM 417 CA ASN A 30 -0.260 8.719 4.818 1.00 0.00 C ATOM 418 C ASN A 30 0.857 8.529 3.790 1.00 0.00 C ATOM 419 O ASN A 30 1.964 9.036 3.970 1.00 0.00 O ATOM 420 CB ASN A 30 -0.716 10.178 4.758 1.00 0.00 C ATOM 421 CG ASN A 30 -2.227 10.289 4.968 1.00 0.00 C ATOM 422 OD1 ASN A 30 -2.915 11.062 4.322 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.704 9.477 5.907 1.00 0.00 N ATOM 0 H ASN A 30 -0.093 8.987 6.890 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.107 8.068 4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.196 10.757 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.447 10.608 3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.701 9.477 6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.073 8.854 6.411 1.00 0.00 H new ATOM 430 N LEU A 31 0.529 7.798 2.735 1.00 0.00 N ATOM 431 CA LEU A 31 1.490 7.535 1.678 1.00 0.00 C ATOM 432 C LEU A 31 1.270 8.528 0.535 1.00 0.00 C ATOM 433 O LEU A 31 1.887 8.410 -0.522 1.00 0.00 O ATOM 434 CB LEU A 31 1.420 6.071 1.242 1.00 0.00 C ATOM 435 CG LEU A 31 1.580 5.031 2.354 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.503 3.949 2.250 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.990 4.439 2.353 1.00 0.00 C ATOM 0 H LEU A 31 -0.390 7.379 2.590 1.00 0.00 H new ATOM 0 HA LEU A 31 2.506 7.687 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.461 5.904 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.195 5.898 0.495 1.00 0.00 H new ATOM 0 HG LEU A 31 1.443 5.531 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.639 3.222 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.482 4.407 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.584 3.446 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.076 3.703 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.182 3.957 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.719 5.234 2.511 1.00 0.00 H new ATOM 449 N PHE A 32 0.387 9.485 0.787 1.00 0.00 N ATOM 450 CA PHE A 32 0.078 10.497 -0.208 1.00 0.00 C ATOM 451 C PHE A 32 0.090 11.896 0.411 1.00 0.00 C ATOM 452 O PHE A 32 0.717 12.810 -0.122 1.00 0.00 O ATOM 453 CB PHE A 32 -1.328 10.196 -0.729 1.00 0.00 C ATOM 454 CG PHE A 32 -1.381 9.065 -1.759 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.156 7.781 -1.370 1.00 0.00 C ATOM 456 CD2 PHE A 32 -1.655 9.343 -3.062 1.00 0.00 C ATOM 457 CE1 PHE A 32 -1.205 6.731 -2.325 1.00 0.00 C ATOM 458 CE2 PHE A 32 -1.704 8.294 -4.016 1.00 0.00 C ATOM 459 CZ PHE A 32 -1.477 7.010 -3.628 1.00 0.00 C ATOM 0 H PHE A 32 -0.123 9.580 1.665 1.00 0.00 H new ATOM 0 HA PHE A 32 0.821 10.475 -1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.969 9.937 0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.740 11.101 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.940 7.560 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.835 10.362 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.026 5.711 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.922 8.515 -5.051 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.513 6.212 -4.355 1.00 0.00 H new ATOM 469 N GLU A 33 -0.609 12.019 1.531 1.00 0.00 N ATOM 470 CA GLU A 33 -0.686 13.291 2.229 1.00 0.00 C ATOM 471 C GLU A 33 0.676 13.654 2.823 1.00 0.00 C ATOM 472 O GLU A 33 0.901 14.798 3.215 1.00 0.00 O ATOM 473 CB GLU A 33 -1.765 13.256 3.313 1.00 0.00 C ATOM 474 CG GLU A 33 -2.151 14.673 3.748 1.00 0.00 C ATOM 475 CD GLU A 33 -2.952 14.646 5.051 1.00 0.00 C ATOM 476 OE1 GLU A 33 -2.468 13.996 6.002 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.031 15.278 5.065 1.00 0.00 O ATOM 0 H GLU A 33 -1.127 11.259 1.972 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.964 14.062 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.645 12.734 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.403 12.693 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.252 15.274 3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.740 15.150 2.965 1.00 0.00 H new ATOM 484 N THR A 34 1.550 12.659 2.869 1.00 0.00 N ATOM 485 CA THR A 34 2.885 12.860 3.408 1.00 0.00 C ATOM 486 C THR A 34 3.881 13.126 2.279 1.00 0.00 C ATOM 487 O THR A 34 5.002 13.566 2.526 1.00 0.00 O ATOM 488 CB THR A 34 3.239 11.638 4.257 1.00 0.00 C ATOM 489 OG1 THR A 34 2.238 11.616 5.271 1.00 0.00 O ATOM 490 CG2 THR A 34 4.548 11.821 5.029 1.00 0.00 C ATOM 0 H THR A 34 1.360 11.712 2.542 1.00 0.00 H new ATOM 0 HA THR A 34 2.926 13.741 4.048 1.00 0.00 H new ATOM 0 HB THR A 34 3.315 10.761 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.392 10.852 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.753 10.925 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.364 11.989 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.460 12.679 5.696 1.00 0.00 H new ATOM 498 N GLY A 35 3.437 12.846 1.062 1.00 0.00 N ATOM 499 CA GLY A 35 4.276 13.050 -0.106 1.00 0.00 C ATOM 500 C GLY A 35 5.109 11.803 -0.407 1.00 0.00 C ATOM 501 O GLY A 35 6.300 11.903 -0.699 1.00 0.00 O ATOM 0 H GLY A 35 2.507 12.479 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.654 13.293 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.936 13.901 0.060 1.00 0.00 H new ATOM 505 N LEU A 36 4.450 10.656 -0.327 1.00 0.00 N ATOM 506 CA LEU A 36 5.114 9.390 -0.587 1.00 0.00 C ATOM 507 C LEU A 36 4.707 8.881 -1.971 1.00 0.00 C ATOM 508 O LEU A 36 5.490 8.214 -2.647 1.00 0.00 O ATOM 509 CB LEU A 36 4.834 8.396 0.542 1.00 0.00 C ATOM 510 CG LEU A 36 5.500 8.701 1.885 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.213 10.139 2.325 1.00 0.00 C ATOM 512 CD2 LEU A 36 5.081 7.683 2.948 1.00 0.00 C ATOM 0 H LEU A 36 3.462 10.577 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 36 6.196 9.523 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.756 8.346 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.155 7.407 0.216 1.00 0.00 H new ATOM 0 HG LEU A 36 6.579 8.611 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.698 10.330 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.600 10.832 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.137 10.280 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.568 7.922 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.999 7.717 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.376 6.683 2.631 1.00 0.00 H new ATOM 524 N LEU A 37 3.482 9.213 -2.352 1.00 0.00 N ATOM 525 CA LEU A 37 2.962 8.798 -3.643 1.00 0.00 C ATOM 526 C LEU A 37 2.160 9.947 -4.260 1.00 0.00 C ATOM 527 O LEU A 37 1.957 10.978 -3.621 1.00 0.00 O ATOM 528 CB LEU A 37 2.166 7.498 -3.508 1.00 0.00 C ATOM 529 CG LEU A 37 2.959 6.203 -3.705 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.039 4.982 -3.638 1.00 0.00 C ATOM 531 CD2 LEU A 37 3.761 6.246 -5.008 1.00 0.00 C ATOM 0 H LEU A 37 2.835 9.765 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 37 3.780 8.575 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.711 7.475 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.352 7.516 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 37 3.675 6.112 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.627 4.075 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.550 4.948 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.284 5.052 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.316 5.315 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.080 6.371 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.459 7.083 -4.978 1.00 0.00 H new ATOM 543 N ASP A 38 1.727 9.729 -5.493 1.00 0.00 N ATOM 544 CA ASP A 38 0.953 10.733 -6.202 1.00 0.00 C ATOM 545 C ASP A 38 -0.324 10.094 -6.751 1.00 0.00 C ATOM 546 O ASP A 38 -1.428 10.535 -6.439 1.00 0.00 O ATOM 547 CB ASP A 38 1.741 11.303 -7.382 1.00 0.00 C ATOM 548 CG ASP A 38 1.835 12.830 -7.420 1.00 0.00 C ATOM 549 OD1 ASP A 38 1.814 13.428 -6.322 1.00 0.00 O ATOM 550 OD2 ASP A 38 1.926 13.366 -8.546 1.00 0.00 O ATOM 0 H ASP A 38 1.898 8.872 -6.019 1.00 0.00 H new ATOM 0 HA ASP A 38 0.720 11.535 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.750 10.892 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.279 10.959 -8.308 1.00 0.00 H new ATOM 555 N SER A 39 -0.130 9.061 -7.558 1.00 0.00 N ATOM 556 CA SER A 39 -1.252 8.356 -8.153 1.00 0.00 C ATOM 557 C SER A 39 -0.750 7.144 -8.941 1.00 0.00 C ATOM 558 O SER A 39 -1.148 6.013 -8.668 1.00 0.00 O ATOM 559 CB SER A 39 -2.065 9.280 -9.062 1.00 0.00 C ATOM 560 OG SER A 39 -3.448 8.939 -9.071 1.00 0.00 O ATOM 0 H SER A 39 0.787 8.696 -7.813 1.00 0.00 H new ATOM 0 HA SER A 39 -1.905 8.015 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.948 10.311 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.672 9.227 -10.077 1.00 0.00 H new ATOM 0 HG SER A 39 -3.932 9.553 -9.661 1.00 0.00 H new ATOM 566 N MET A 40 0.117 7.421 -9.903 1.00 0.00 N ATOM 567 CA MET A 40 0.678 6.369 -10.733 1.00 0.00 C ATOM 568 C MET A 40 1.272 5.251 -9.873 1.00 0.00 C ATOM 569 O MET A 40 1.039 4.071 -10.133 1.00 0.00 O ATOM 570 CB MET A 40 1.767 6.953 -11.634 1.00 0.00 C ATOM 571 CG MET A 40 1.608 6.462 -13.075 1.00 0.00 C ATOM 572 SD MET A 40 1.238 7.838 -14.151 1.00 0.00 S ATOM 573 CE MET A 40 -0.458 7.462 -14.561 1.00 0.00 C ATOM 0 H MET A 40 0.445 8.360 -10.127 1.00 0.00 H new ATOM 0 HA MET A 40 -0.122 5.948 -11.342 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.719 8.042 -11.610 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.749 6.669 -11.255 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.523 5.969 -13.403 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.810 5.722 -13.130 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.848 8.227 -15.232 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.507 6.490 -15.052 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.056 7.439 -13.650 1.00 0.00 H new ATOM 583 N GLY A 41 2.028 5.662 -8.866 1.00 0.00 N ATOM 584 CA GLY A 41 2.658 4.710 -7.965 1.00 0.00 C ATOM 585 C GLY A 41 1.715 3.548 -7.651 1.00 0.00 C ATOM 586 O GLY A 41 2.080 2.385 -7.816 1.00 0.00 O ATOM 0 H GLY A 41 2.219 6.641 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.574 4.328 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.943 5.212 -7.040 1.00 0.00 H new ATOM 590 N THR A 42 0.519 3.902 -7.201 1.00 0.00 N ATOM 591 CA THR A 42 -0.479 2.903 -6.861 1.00 0.00 C ATOM 592 C THR A 42 -0.599 1.866 -7.980 1.00 0.00 C ATOM 593 O THR A 42 -0.746 0.675 -7.714 1.00 0.00 O ATOM 594 CB THR A 42 -1.792 3.629 -6.561 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.357 2.891 -5.481 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.814 3.479 -7.690 1.00 0.00 C ATOM 0 H THR A 42 0.220 4.867 -7.064 1.00 0.00 H new ATOM 0 HA THR A 42 -0.191 2.343 -5.972 1.00 0.00 H new ATOM 0 HB THR A 42 -1.592 4.687 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.211 3.294 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.727 4.012 -7.427 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.403 3.894 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.040 2.423 -7.838 1.00 0.00 H new ATOM 604 N VAL A 43 -0.531 2.359 -9.209 1.00 0.00 N ATOM 605 CA VAL A 43 -0.630 1.490 -10.369 1.00 0.00 C ATOM 606 C VAL A 43 0.464 0.422 -10.298 1.00 0.00 C ATOM 607 O VAL A 43 0.294 -0.681 -10.812 1.00 0.00 O ATOM 608 CB VAL A 43 -0.570 2.322 -11.652 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.830 1.451 -12.883 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.554 3.493 -11.592 1.00 0.00 C ATOM 0 H VAL A 43 -0.409 3.348 -9.426 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.589 0.972 -10.377 1.00 0.00 H new ATOM 0 HB VAL A 43 0.436 2.733 -11.738 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.782 2.067 -13.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.075 0.667 -12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.819 0.998 -12.806 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.492 4.068 -12.516 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.567 3.111 -11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.305 4.135 -10.747 1.00 0.00 H new ATOM 620 N GLN A 44 1.563 0.790 -9.654 1.00 0.00 N ATOM 621 CA GLN A 44 2.684 -0.123 -9.508 1.00 0.00 C ATOM 622 C GLN A 44 2.359 -1.203 -8.476 1.00 0.00 C ATOM 623 O GLN A 44 2.230 -2.377 -8.819 1.00 0.00 O ATOM 624 CB GLN A 44 3.959 0.633 -9.129 1.00 0.00 C ATOM 625 CG GLN A 44 5.160 -0.314 -9.071 1.00 0.00 C ATOM 626 CD GLN A 44 6.406 0.344 -9.667 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.508 1.555 -9.776 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.344 -0.520 -10.048 1.00 0.00 N ATOM 0 H GLN A 44 1.700 1.707 -9.228 1.00 0.00 H new ATOM 0 HA GLN A 44 2.860 -0.609 -10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.148 1.422 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.825 1.117 -8.161 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.354 -0.598 -8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.932 -1.230 -9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.194 -1.522 -9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.213 -0.180 -10.460 1.00 0.00 H new ATOM 637 N LEU A 45 2.235 -0.768 -7.230 1.00 0.00 N ATOM 638 CA LEU A 45 1.927 -1.683 -6.145 1.00 0.00 C ATOM 639 C LEU A 45 0.838 -2.657 -6.598 1.00 0.00 C ATOM 640 O LEU A 45 0.954 -3.865 -6.392 1.00 0.00 O ATOM 641 CB LEU A 45 1.568 -0.908 -4.875 1.00 0.00 C ATOM 642 CG LEU A 45 1.106 0.535 -5.080 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.011 0.907 -4.079 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.289 1.504 -5.020 1.00 0.00 C ATOM 0 H LEU A 45 2.342 0.206 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 45 2.803 -2.279 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.780 -1.450 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.439 -0.900 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 45 0.673 0.616 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.300 1.938 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.844 0.244 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.395 0.804 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.932 2.523 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.773 1.427 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.005 1.252 -5.802 1.00 0.00 H new ATOM 656 N LEU A 46 -0.196 -2.097 -7.208 1.00 0.00 N ATOM 657 CA LEU A 46 -1.306 -2.901 -7.693 1.00 0.00 C ATOM 658 C LEU A 46 -0.761 -4.068 -8.519 1.00 0.00 C ATOM 659 O LEU A 46 -1.246 -5.192 -8.406 1.00 0.00 O ATOM 660 CB LEU A 46 -2.309 -2.028 -8.449 1.00 0.00 C ATOM 661 CG LEU A 46 -3.242 -1.178 -7.585 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.433 -0.669 -8.401 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.687 -1.945 -6.338 1.00 0.00 C ATOM 0 H LEU A 46 -0.289 -1.096 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.859 -3.331 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.755 -1.364 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.919 -2.674 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.688 -0.304 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.081 -0.068 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.072 -0.060 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.995 -1.517 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.349 -1.317 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.216 -2.850 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.813 -2.215 -5.746 1.00 0.00 H new ATOM 675 N LEU A 47 0.241 -3.761 -9.330 1.00 0.00 N ATOM 676 CA LEU A 47 0.857 -4.770 -10.174 1.00 0.00 C ATOM 677 C LEU A 47 1.700 -5.708 -9.309 1.00 0.00 C ATOM 678 O LEU A 47 1.936 -6.857 -9.680 1.00 0.00 O ATOM 679 CB LEU A 47 1.641 -4.112 -11.311 1.00 0.00 C ATOM 680 CG LEU A 47 1.518 -4.777 -12.683 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.070 -6.205 -12.653 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.074 -4.733 -13.187 1.00 0.00 C ATOM 0 H LEU A 47 0.641 -2.827 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 47 0.093 -5.381 -10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.313 -3.077 -11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.695 -4.089 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 47 2.124 -4.212 -13.391 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.970 -6.654 -13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.122 -6.182 -12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.511 -6.796 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.015 -5.212 -14.164 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.573 -5.259 -12.485 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.250 -3.696 -13.272 1.00 0.00 H new ATOM 694 N GLU A 48 2.128 -5.184 -8.169 1.00 0.00 N ATOM 695 CA GLU A 48 2.941 -5.961 -7.248 1.00 0.00 C ATOM 696 C GLU A 48 2.048 -6.711 -6.257 1.00 0.00 C ATOM 697 O GLU A 48 2.496 -7.649 -5.599 1.00 0.00 O ATOM 698 CB GLU A 48 3.944 -5.068 -6.515 1.00 0.00 C ATOM 699 CG GLU A 48 5.304 -5.758 -6.392 1.00 0.00 C ATOM 700 CD GLU A 48 5.867 -6.109 -7.770 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.125 -5.157 -8.537 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.029 -7.322 -8.024 1.00 0.00 O ATOM 0 H GLU A 48 1.927 -4.232 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 48 3.509 -6.693 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.057 -4.126 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.564 -4.826 -5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.001 -5.105 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.203 -6.664 -5.795 1.00 0.00 H new ATOM 709 N LEU A 49 0.802 -6.267 -6.179 1.00 0.00 N ATOM 710 CA LEU A 49 -0.158 -6.885 -5.279 1.00 0.00 C ATOM 711 C LEU A 49 -1.001 -7.897 -6.056 1.00 0.00 C ATOM 712 O LEU A 49 -1.716 -8.701 -5.460 1.00 0.00 O ATOM 713 CB LEU A 49 -0.986 -5.815 -4.563 1.00 0.00 C ATOM 714 CG LEU A 49 -0.324 -5.154 -3.352 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.307 -4.232 -2.627 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.275 -6.203 -2.415 1.00 0.00 C ATOM 0 H LEU A 49 0.435 -5.487 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 49 0.357 -7.436 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.239 -5.037 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.924 -6.266 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 49 0.498 -4.533 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.812 -3.774 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.646 -3.452 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.164 -4.812 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.739 -5.707 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.513 -6.868 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.027 -6.783 -2.951 1.00 0.00 H new ATOM 728 N GLN A 50 -0.889 -7.826 -7.374 1.00 0.00 N ATOM 729 CA GLN A 50 -1.632 -8.727 -8.238 1.00 0.00 C ATOM 730 C GLN A 50 -0.710 -9.818 -8.785 1.00 0.00 C ATOM 731 O GLN A 50 -1.007 -10.431 -9.809 1.00 0.00 O ATOM 732 CB GLN A 50 -2.310 -7.960 -9.376 1.00 0.00 C ATOM 733 CG GLN A 50 -3.438 -8.785 -9.997 1.00 0.00 C ATOM 734 CD GLN A 50 -4.276 -7.935 -10.954 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.132 -7.993 -12.164 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.158 -7.145 -10.346 1.00 0.00 N ATOM 0 H GLN A 50 -0.295 -7.158 -7.865 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.415 -9.203 -7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.709 -7.019 -8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.574 -7.710 -10.140 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.018 -9.636 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.075 -9.187 -9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.227 -7.146 -9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.765 -6.539 -10.898 1.00 0.00 H new ATOM 745 N SER A 51 0.391 -10.028 -8.078 1.00 0.00 N ATOM 746 CA SER A 51 1.358 -11.036 -8.480 1.00 0.00 C ATOM 747 C SER A 51 1.820 -11.834 -7.260 1.00 0.00 C ATOM 748 O SER A 51 1.619 -13.046 -7.194 1.00 0.00 O ATOM 749 CB SER A 51 2.559 -10.397 -9.181 1.00 0.00 C ATOM 750 OG SER A 51 2.508 -10.575 -10.594 1.00 0.00 O ATOM 0 H SER A 51 0.635 -9.517 -7.229 1.00 0.00 H new ATOM 0 HA SER A 51 0.875 -11.711 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.589 -9.332 -8.950 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.480 -10.833 -8.793 1.00 0.00 H new ATOM 0 HG SER A 51 3.290 -10.152 -11.005 1.00 0.00 H new ATOM 756 N GLN A 52 2.429 -11.123 -6.322 1.00 0.00 N ATOM 757 CA GLN A 52 2.921 -11.750 -5.107 1.00 0.00 C ATOM 758 C GLN A 52 1.759 -12.056 -4.161 1.00 0.00 C ATOM 759 O GLN A 52 1.903 -12.848 -3.231 1.00 0.00 O ATOM 760 CB GLN A 52 3.969 -10.871 -4.422 1.00 0.00 C ATOM 761 CG GLN A 52 5.272 -10.846 -5.224 1.00 0.00 C ATOM 762 CD GLN A 52 6.169 -12.028 -4.850 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.886 -13.175 -5.148 1.00 0.00 O ATOM 764 NE2 GLN A 52 7.267 -11.683 -4.181 1.00 0.00 N ATOM 0 H GLN A 52 2.593 -10.118 -6.379 1.00 0.00 H new ATOM 0 HA GLN A 52 3.403 -12.690 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.584 -9.857 -4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.163 -11.246 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.048 -10.878 -6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.800 -9.911 -5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.444 -10.702 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.931 -12.399 -3.886 1.00 0.00 H new ATOM 773 N PHE A 53 0.632 -11.414 -4.431 1.00 0.00 N ATOM 774 CA PHE A 53 -0.554 -11.607 -3.614 1.00 0.00 C ATOM 775 C PHE A 53 -1.762 -11.971 -4.480 1.00 0.00 C ATOM 776 O PHE A 53 -2.501 -12.901 -4.163 1.00 0.00 O ATOM 777 CB PHE A 53 -0.831 -10.281 -2.905 1.00 0.00 C ATOM 778 CG PHE A 53 0.425 -9.584 -2.377 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.353 -9.105 -3.246 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.611 -9.443 -1.037 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.519 -8.459 -2.756 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.776 -8.796 -0.546 1.00 0.00 C ATOM 783 CZ PHE A 53 2.706 -8.318 -1.417 1.00 0.00 C ATOM 0 H PHE A 53 0.515 -10.759 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.390 -12.419 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.343 -9.611 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.511 -10.461 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.204 -9.216 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.127 -9.823 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.257 -8.080 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.924 -8.683 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.593 -7.827 -1.044 1.00 0.00 H new ATOM 793 N GLY A 54 -1.926 -11.217 -5.558 1.00 0.00 N ATOM 794 CA GLY A 54 -3.032 -11.448 -6.472 1.00 0.00 C ATOM 795 C GLY A 54 -4.271 -10.661 -6.043 1.00 0.00 C ATOM 796 O GLY A 54 -5.372 -11.206 -5.996 1.00 0.00 O ATOM 0 H GLY A 54 -1.311 -10.446 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.742 -11.155 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.266 -12.512 -6.504 1.00 0.00 H new ATOM 800 N VAL A 55 -4.050 -9.389 -5.741 1.00 0.00 N ATOM 801 CA VAL A 55 -5.135 -8.521 -5.318 1.00 0.00 C ATOM 802 C VAL A 55 -5.893 -8.022 -6.550 1.00 0.00 C ATOM 803 O VAL A 55 -5.293 -7.779 -7.596 1.00 0.00 O ATOM 804 CB VAL A 55 -4.588 -7.385 -4.451 1.00 0.00 C ATOM 805 CG1 VAL A 55 -5.717 -6.468 -3.972 1.00 0.00 C ATOM 806 CG2 VAL A 55 -3.789 -7.934 -3.267 1.00 0.00 C ATOM 0 H VAL A 55 -3.135 -8.940 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.845 -9.070 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.911 -6.791 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.301 -5.669 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.225 -6.036 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.429 -7.045 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.412 -7.106 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.434 -8.562 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.951 -8.526 -3.636 1.00 0.00 H new ATOM 816 N ASP A 56 -7.200 -7.882 -6.385 1.00 0.00 N ATOM 817 CA ASP A 56 -8.046 -7.417 -7.470 1.00 0.00 C ATOM 818 C ASP A 56 -8.699 -6.092 -7.069 1.00 0.00 C ATOM 819 O ASP A 56 -9.924 -5.990 -7.019 1.00 0.00 O ATOM 820 CB ASP A 56 -9.159 -8.421 -7.771 1.00 0.00 C ATOM 821 CG ASP A 56 -8.823 -9.457 -8.845 1.00 0.00 C ATOM 822 OD1 ASP A 56 -8.060 -10.391 -8.514 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.336 -9.292 -9.973 1.00 0.00 O ATOM 0 H ASP A 56 -7.694 -8.083 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.422 -7.296 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.414 -8.945 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.048 -7.872 -8.082 1.00 0.00 H new ATOM 828 N ALA A 57 -7.853 -5.111 -6.793 1.00 0.00 N ATOM 829 CA ALA A 57 -8.334 -3.798 -6.397 1.00 0.00 C ATOM 830 C ALA A 57 -8.728 -3.007 -7.646 1.00 0.00 C ATOM 831 O ALA A 57 -8.162 -3.210 -8.719 1.00 0.00 O ATOM 832 CB ALA A 57 -7.258 -3.087 -5.574 1.00 0.00 C ATOM 0 H ALA A 57 -6.838 -5.199 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.220 -3.887 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.619 -2.102 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.033 -3.675 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.355 -2.977 -6.174 1.00 0.00 H new ATOM 838 N PRO A 58 -9.724 -2.099 -7.460 1.00 0.00 N ATOM 839 CA PRO A 58 -10.201 -1.277 -8.560 1.00 0.00 C ATOM 840 C PRO A 58 -9.202 -0.166 -8.888 1.00 0.00 C ATOM 841 O PRO A 58 -8.342 0.160 -8.071 1.00 0.00 O ATOM 842 CB PRO A 58 -11.549 -0.746 -8.097 1.00 0.00 C ATOM 843 CG PRO A 58 -11.565 -0.909 -6.586 1.00 0.00 C ATOM 844 CD PRO A 58 -10.418 -1.832 -6.204 1.00 0.00 C ATOM 0 HA PRO A 58 -10.305 -1.837 -9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.674 0.300 -8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.366 -1.300 -8.558 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.455 0.059 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.517 -1.327 -6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.756 -1.361 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.785 -2.753 -5.751 1.00 0.00 H new ATOM 852 N VAL A 59 -9.350 0.384 -10.084 1.00 0.00 N ATOM 853 CA VAL A 59 -8.471 1.452 -10.530 1.00 0.00 C ATOM 854 C VAL A 59 -9.314 2.619 -11.046 1.00 0.00 C ATOM 855 O VAL A 59 -8.776 3.599 -11.560 1.00 0.00 O ATOM 856 CB VAL A 59 -7.487 0.918 -11.573 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.270 1.835 -11.700 1.00 0.00 C ATOM 858 CG2 VAL A 59 -7.062 -0.514 -11.244 1.00 0.00 C ATOM 0 H VAL A 59 -10.065 0.110 -10.758 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.873 1.826 -9.699 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.997 0.903 -12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.587 1.432 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.594 2.830 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.760 1.898 -10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.363 -0.869 -12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.580 -0.535 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.940 -1.160 -11.230 1.00 0.00 H new ATOM 868 N SER A 60 -10.622 2.477 -10.891 1.00 0.00 N ATOM 869 CA SER A 60 -11.545 3.507 -11.335 1.00 0.00 C ATOM 870 C SER A 60 -11.970 4.375 -10.149 1.00 0.00 C ATOM 871 O SER A 60 -13.097 4.267 -9.668 1.00 0.00 O ATOM 872 CB SER A 60 -12.774 2.893 -12.010 1.00 0.00 C ATOM 873 OG SER A 60 -12.895 1.501 -11.733 1.00 0.00 O ATOM 0 H SER A 60 -11.065 1.663 -10.464 1.00 0.00 H new ATOM 0 HA SER A 60 -11.034 4.130 -12.069 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.671 3.410 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.709 3.044 -13.088 1.00 0.00 H new ATOM 0 HG SER A 60 -13.692 1.147 -12.180 1.00 0.00 H new ATOM 879 N GLU A 61 -11.045 5.217 -9.711 1.00 0.00 N ATOM 880 CA GLU A 61 -11.309 6.103 -8.590 1.00 0.00 C ATOM 881 C GLU A 61 -11.442 5.298 -7.297 1.00 0.00 C ATOM 882 O GLU A 61 -12.365 5.518 -6.516 1.00 0.00 O ATOM 883 CB GLU A 61 -12.561 6.946 -8.842 1.00 0.00 C ATOM 884 CG GLU A 61 -12.679 8.072 -7.812 1.00 0.00 C ATOM 885 CD GLU A 61 -13.971 8.867 -8.016 1.00 0.00 C ATOM 886 OE1 GLU A 61 -14.941 8.256 -8.511 1.00 0.00 O ATOM 887 OE2 GLU A 61 -13.957 10.068 -7.672 1.00 0.00 O ATOM 0 H GLU A 61 -10.111 5.304 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.466 6.785 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.523 7.369 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.446 6.312 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.660 7.653 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.820 8.738 -7.896 1.00 0.00 H new ATOM 894 N PHE A 62 -10.503 4.381 -7.110 1.00 0.00 N ATOM 895 CA PHE A 62 -10.503 3.542 -5.924 1.00 0.00 C ATOM 896 C PHE A 62 -10.583 4.389 -4.652 1.00 0.00 C ATOM 897 O PHE A 62 -10.791 5.599 -4.720 1.00 0.00 O ATOM 898 CB PHE A 62 -9.183 2.768 -5.924 1.00 0.00 C ATOM 899 CG PHE A 62 -7.980 3.589 -6.391 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.740 4.813 -5.850 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.150 3.095 -7.349 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.623 5.576 -6.285 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.033 3.857 -7.783 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.794 5.082 -7.243 1.00 0.00 C ATOM 0 H PHE A 62 -9.738 4.201 -7.760 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.366 2.876 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.990 2.400 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.286 1.895 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.399 5.206 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.341 2.123 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.432 6.548 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.373 3.464 -8.542 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.946 5.662 -7.575 1.00 0.00 H new ATOM 914 N ASP A 63 -10.415 3.719 -3.521 1.00 0.00 N ATOM 915 CA ASP A 63 -10.466 4.396 -2.236 1.00 0.00 C ATOM 916 C ASP A 63 -9.058 4.850 -1.847 1.00 0.00 C ATOM 917 O ASP A 63 -8.375 4.176 -1.078 1.00 0.00 O ATOM 918 CB ASP A 63 -10.981 3.460 -1.141 1.00 0.00 C ATOM 919 CG ASP A 63 -10.812 1.967 -1.434 1.00 0.00 C ATOM 920 OD1 ASP A 63 -9.686 1.589 -1.822 1.00 0.00 O ATOM 921 OD2 ASP A 63 -11.815 1.239 -1.265 1.00 0.00 O ATOM 0 H ASP A 63 -10.244 2.715 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.141 5.247 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.463 3.693 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.039 3.665 -0.976 1.00 0.00 H new ATOM 926 N ARG A 64 -8.666 5.990 -2.397 1.00 0.00 N ATOM 927 CA ARG A 64 -7.351 6.542 -2.117 1.00 0.00 C ATOM 928 C ARG A 64 -7.058 6.482 -0.616 1.00 0.00 C ATOM 929 O ARG A 64 -5.967 6.089 -0.208 1.00 0.00 O ATOM 930 CB ARG A 64 -7.251 7.993 -2.592 1.00 0.00 C ATOM 931 CG ARG A 64 -5.934 8.238 -3.333 1.00 0.00 C ATOM 932 CD ARG A 64 -4.746 8.191 -2.369 1.00 0.00 C ATOM 933 NE ARG A 64 -4.397 9.560 -1.929 1.00 0.00 N ATOM 934 CZ ARG A 64 -4.894 10.146 -0.832 1.00 0.00 C ATOM 935 NH1 ARG A 64 -5.765 9.488 -0.056 1.00 0.00 N ATOM 936 NH2 ARG A 64 -4.520 11.392 -0.510 1.00 0.00 N ATOM 0 H ARG A 64 -9.235 6.546 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.618 5.943 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.090 8.223 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.322 8.665 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.805 7.486 -4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.966 9.208 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.993 7.574 -1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.889 7.727 -2.857 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.736 10.091 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.050 8.540 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.143 9.935 0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.857 11.894 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.899 11.838 0.325 1.00 0.00 H new ATOM 950 N LYS A 65 -8.054 6.877 0.164 1.00 0.00 N ATOM 951 CA LYS A 65 -7.917 6.873 1.611 1.00 0.00 C ATOM 952 C LYS A 65 -7.475 5.482 2.073 1.00 0.00 C ATOM 953 O LYS A 65 -6.749 5.353 3.058 1.00 0.00 O ATOM 954 CB LYS A 65 -9.208 7.359 2.272 1.00 0.00 C ATOM 955 CG LYS A 65 -9.315 6.843 3.709 1.00 0.00 C ATOM 956 CD LYS A 65 -9.862 7.927 4.641 1.00 0.00 C ATOM 957 CE LYS A 65 -8.904 8.180 5.808 1.00 0.00 C ATOM 958 NZ LYS A 65 -9.257 9.437 6.504 1.00 0.00 N ATOM 0 H LYS A 65 -8.958 7.202 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.143 7.574 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.234 8.449 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.067 7.018 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.967 5.970 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.334 6.520 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.012 8.851 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.836 7.624 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.946 7.346 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.880 8.236 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.598 9.594 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.195 10.232 5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.227 9.369 6.872 1.00 0.00 H new ATOM 972 N GLU A 66 -7.931 4.477 1.339 1.00 0.00 N ATOM 973 CA GLU A 66 -7.591 3.102 1.662 1.00 0.00 C ATOM 974 C GLU A 66 -6.216 2.747 1.093 1.00 0.00 C ATOM 975 O GLU A 66 -5.517 1.892 1.635 1.00 0.00 O ATOM 976 CB GLU A 66 -8.663 2.138 1.148 1.00 0.00 C ATOM 977 CG GLU A 66 -8.225 0.683 1.331 1.00 0.00 C ATOM 978 CD GLU A 66 -9.400 -0.273 1.123 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.758 -0.485 -0.056 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.915 -0.771 2.147 1.00 0.00 O ATOM 0 H GLU A 66 -8.532 4.588 0.523 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.549 3.003 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.598 2.310 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.857 2.333 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.430 0.447 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.813 0.546 2.331 1.00 0.00 H new ATOM 987 N TRP A 67 -5.868 3.422 0.008 1.00 0.00 N ATOM 988 CA TRP A 67 -4.589 3.189 -0.641 1.00 0.00 C ATOM 989 C TRP A 67 -3.642 4.321 -0.240 1.00 0.00 C ATOM 990 O TRP A 67 -2.652 4.579 -0.923 1.00 0.00 O ATOM 991 CB TRP A 67 -4.757 3.060 -2.156 1.00 0.00 C ATOM 992 CG TRP A 67 -5.812 2.035 -2.581 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.073 2.264 -2.971 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.644 0.604 -2.642 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.728 1.088 -3.277 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.832 0.046 -3.071 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.526 -0.195 -2.345 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.015 -1.330 -3.242 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.725 -1.569 -2.521 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.914 -2.145 -2.952 1.00 0.00 C ATOM 0 H TRP A 67 -6.450 4.131 -0.439 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.159 2.242 -0.314 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.026 4.034 -2.566 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.799 2.783 -2.595 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.521 3.245 -3.038 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.693 1.000 -3.596 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.587 0.219 -2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.955 -1.742 -3.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.896 -2.228 -2.307 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.988 -3.217 -3.063 1.00 0.00 H new ATOM 1011 N ASP A 68 -3.978 4.966 0.868 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.169 6.065 1.369 1.00 0.00 C ATOM 1013 C ASP A 68 -2.310 5.570 2.534 1.00 0.00 C ATOM 1014 O ASP A 68 -1.163 5.986 2.685 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.049 7.206 1.882 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.453 8.013 3.038 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.362 8.586 2.826 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.100 8.039 4.106 1.00 0.00 O ATOM 0 H ASP A 68 -4.799 4.749 1.433 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.548 6.428 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.257 7.884 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.005 6.792 2.203 1.00 0.00 H new ATOM 1023 N THR A 69 -2.898 4.687 3.329 1.00 0.00 N ATOM 1024 CA THR A 69 -2.201 4.131 4.476 1.00 0.00 C ATOM 1025 C THR A 69 -1.788 2.684 4.199 1.00 0.00 C ATOM 1026 O THR A 69 -2.377 2.018 3.348 1.00 0.00 O ATOM 1027 CB THR A 69 -3.108 4.280 5.699 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.427 4.239 5.160 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.009 5.668 6.335 1.00 0.00 C ATOM 0 H THR A 69 -3.850 4.343 3.201 1.00 0.00 H new ATOM 0 HA THR A 69 -1.274 4.669 4.674 1.00 0.00 H new ATOM 0 HB THR A 69 -2.848 3.522 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.054 4.636 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.672 5.721 7.198 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.983 5.850 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.301 6.424 5.606 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.752 2.227 4.953 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.254 0.871 4.797 1.00 0.00 C ATOM 1039 C PRO A 70 -1.208 -0.140 5.434 1.00 0.00 C ATOM 1040 O PRO A 70 -1.347 -1.261 4.946 1.00 0.00 O ATOM 1041 CB PRO A 70 1.121 0.880 5.444 1.00 0.00 C ATOM 1042 CG PRO A 70 1.150 2.106 6.344 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.031 2.987 5.968 1.00 0.00 C ATOM 0 HA PRO A 70 -0.186 0.565 3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.288 -0.031 6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.907 0.930 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.089 1.812 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.087 2.649 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.663 3.192 6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.301 3.950 5.580 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.842 0.291 6.514 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.780 -0.562 7.223 1.00 0.00 C ATOM 1053 C ASN A 71 -4.011 -0.800 6.346 1.00 0.00 C ATOM 1054 O ASN A 71 -4.414 -1.942 6.133 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.246 0.093 8.524 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.882 -0.769 9.734 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.824 -1.986 9.667 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.642 -0.073 10.842 1.00 0.00 N ATOM 0 H ASN A 71 -1.724 1.221 6.916 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.274 -1.500 7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.789 1.077 8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.325 0.245 8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.392 -0.557 11.704 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.708 0.945 10.829 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.573 0.297 5.860 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.750 0.222 5.011 1.00 0.00 C ATOM 1067 C LYS A 72 -5.440 -0.649 3.793 1.00 0.00 C ATOM 1068 O LYS A 72 -6.324 -1.320 3.263 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.242 1.626 4.653 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.541 1.956 5.391 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.835 3.457 5.338 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.663 4.098 6.718 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.680 3.580 7.660 1.00 0.00 N ATOM 0 H LYS A 72 -4.235 1.243 6.038 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.574 -0.254 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.478 2.360 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.403 1.696 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.368 1.404 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.466 1.633 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.166 3.937 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.852 3.620 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.664 3.889 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.753 5.181 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.854 4.284 8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.565 3.393 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.337 2.698 8.091 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.179 -0.613 3.385 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.741 -1.392 2.239 1.00 0.00 C ATOM 1089 C ILE A 73 -3.483 -2.835 2.677 1.00 0.00 C ATOM 1090 O ILE A 73 -3.975 -3.775 2.053 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.537 -0.729 1.568 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.981 0.410 0.646 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.680 -1.760 0.834 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.809 0.925 -0.191 1.00 0.00 C ATOM 0 H ILE A 73 -3.447 -0.057 3.828 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.522 -1.423 1.480 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.913 -0.289 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.777 0.061 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.394 1.225 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.831 -1.261 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.318 -2.504 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.279 -2.252 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.151 1.733 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.025 1.295 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.415 0.114 -0.803 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.712 -2.966 3.747 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.383 -4.278 4.276 1.00 0.00 C ATOM 1108 C ILE A 74 -3.671 -5.076 4.489 1.00 0.00 C ATOM 1109 O ILE A 74 -3.660 -6.304 4.441 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.524 -4.148 5.536 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.057 -3.911 5.177 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.703 -5.364 6.449 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.772 -3.612 6.428 1.00 0.00 C ATOM 0 H ILE A 74 -2.306 -2.185 4.262 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.777 -4.835 3.561 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.863 -3.275 6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.344 -4.790 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.020 -3.078 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.082 -5.247 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.749 -5.445 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.406 -6.267 5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.812 -3.447 6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.383 -2.719 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.712 -4.457 7.114 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.751 -4.343 4.720 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.045 -4.966 4.941 1.00 0.00 C ATOM 1127 C ALA A 75 -6.678 -5.310 3.591 1.00 0.00 C ATOM 1128 O ALA A 75 -7.480 -6.238 3.495 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.925 -4.035 5.777 1.00 0.00 C ATOM 0 H ALA A 75 -4.756 -3.324 4.759 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.932 -5.896 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.895 -4.503 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.445 -3.846 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.062 -3.092 5.248 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.294 -4.543 2.581 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.814 -4.754 1.241 1.00 0.00 C ATOM 1137 C LYS A 76 -6.101 -5.949 0.604 1.00 0.00 C ATOM 1138 O LYS A 76 -6.639 -6.588 -0.298 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.713 -3.467 0.418 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.749 -3.454 -0.707 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.170 -3.417 -0.144 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.176 -3.007 -1.220 1.00 0.00 C ATOM 1143 NZ LYS A 76 -10.968 -4.177 -1.663 1.00 0.00 N ATOM 0 H LYS A 76 -5.629 -3.774 2.664 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.876 -4.999 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.864 -2.604 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.712 -3.378 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.585 -2.587 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.624 -4.339 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.434 -4.398 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.217 -2.715 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.841 -2.237 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.651 -2.573 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.646 -3.881 -2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.331 -4.899 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.484 -4.574 -0.852 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.901 -6.214 1.100 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.109 -7.321 0.591 1.00 0.00 C ATOM 1159 C VAL A 77 -4.561 -8.618 1.264 1.00 0.00 C ATOM 1160 O VAL A 77 -4.472 -9.692 0.672 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.620 -7.033 0.788 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.768 -8.221 0.338 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.206 -5.754 0.058 1.00 0.00 C ATOM 0 H VAL A 77 -4.458 -5.681 1.849 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.264 -7.440 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.447 -6.880 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.713 -7.990 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.034 -9.102 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.949 -8.419 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.143 -5.573 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.402 -5.864 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.778 -4.912 0.447 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.038 -8.475 2.492 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.504 -9.623 3.252 1.00 0.00 C ATOM 1175 C GLU A 78 -6.951 -9.952 2.880 1.00 0.00 C ATOM 1176 O GLU A 78 -7.352 -11.115 2.901 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.367 -9.376 4.756 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.897 -9.376 5.180 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.600 -10.538 6.128 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.500 -10.859 6.933 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.477 -11.080 6.027 1.00 0.00 O ATOM 0 H GLU A 78 -5.112 -7.582 2.979 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.880 -10.480 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.824 -8.421 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.908 -10.147 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.261 -9.450 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.656 -8.432 5.669 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.697 -8.907 2.549 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.091 -9.072 2.172 1.00 0.00 C ATOM 1190 C GLN A 79 -9.216 -9.235 0.656 1.00 0.00 C ATOM 1191 O GLN A 79 -10.259 -8.931 0.080 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.934 -7.897 2.670 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.402 -8.128 4.108 1.00 0.00 C ATOM 1194 CD GLN A 79 -9.266 -7.876 5.101 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -8.456 -8.741 5.390 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -9.253 -6.647 5.607 1.00 0.00 N ATOM 0 H GLN A 79 -7.362 -7.944 2.534 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.472 -9.977 2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.350 -6.978 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.798 -7.764 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.239 -7.467 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.765 -9.150 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.961 -5.971 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.535 -6.380 6.280 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.137 -9.712 0.053 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.113 -9.918 -1.384 1.00 0.00 C ATOM 1207 C ALA A 80 -7.776 -11.381 -1.680 1.00 0.00 C ATOM 1208 O ALA A 80 -8.423 -12.015 -2.512 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.116 -8.950 -2.023 1.00 0.00 C ATOM 0 H ALA A 80 -7.273 -9.962 0.534 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.092 -9.711 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.098 -9.105 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.416 -7.924 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.122 -9.130 -1.614 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.763 -11.874 -0.983 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.332 -13.250 -1.161 1.00 0.00 C ATOM 1217 C GLN A 81 -7.545 -14.171 -1.314 1.00 0.00 C ATOM 1218 O GLN A 81 -7.972 -14.458 -2.431 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.446 -13.702 0.002 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.174 -12.855 0.082 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.551 -12.669 -1.303 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -3.994 -11.598 -1.955 1.00 0.00 O flip ATOM 1223 NE2 GLN A 81 -2.723 -13.447 -1.749 1.00 0.00 N flip ATOM 0 H GLN A 81 -6.228 -11.345 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.738 -13.308 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.999 -13.623 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.181 -14.752 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.408 -11.882 0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.455 -13.334 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.427 -14.250 -1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.327 -13.294 -2.676 1.00 0.00 H new