USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0687 K(o=-0.069,f=-0.81) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.263 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.5 K(o=-2.5,f=-12!) USER MOD Single : A 30 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 34 THR OG1 : rot -91:sc= -0.558 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -155:sc= -0.11 (180deg=-0.756) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1.7!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0434 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -92:sc= -2.66! USER MOD Single : A 71 ASN : amide:sc= -1.42 K(o=-1.4,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.151) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -3.18 K(o=-3.2,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.505 -14.290 6.392 1.00 0.00 N ATOM 24 CA GLU A 4 4.179 -13.070 6.803 1.00 0.00 C ATOM 25 C GLU A 4 4.944 -12.462 5.625 1.00 0.00 C ATOM 26 O GLU A 4 5.306 -11.288 5.656 1.00 0.00 O ATOM 27 CB GLU A 4 5.112 -13.331 7.987 1.00 0.00 C ATOM 28 CG GLU A 4 4.609 -12.628 9.248 1.00 0.00 C ATOM 29 CD GLU A 4 5.410 -13.065 10.477 1.00 0.00 C ATOM 30 OE1 GLU A 4 6.647 -13.181 10.335 1.00 0.00 O ATOM 31 OE2 GLU A 4 4.767 -13.274 11.528 1.00 0.00 O ATOM 0 HA GLU A 4 3.424 -12.354 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.183 -14.403 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.116 -12.981 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.689 -11.548 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.553 -12.854 9.398 1.00 0.00 H new ATOM 38 N ALA A 5 5.164 -13.290 4.615 1.00 0.00 N ATOM 39 CA ALA A 5 5.878 -12.850 3.428 1.00 0.00 C ATOM 40 C ALA A 5 4.991 -11.893 2.629 1.00 0.00 C ATOM 41 O ALA A 5 5.453 -11.252 1.687 1.00 0.00 O ATOM 42 CB ALA A 5 6.308 -14.068 2.609 1.00 0.00 C ATOM 0 H ALA A 5 4.860 -14.264 4.594 1.00 0.00 H new ATOM 0 HA ALA A 5 6.782 -12.308 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.843 -13.737 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.961 -14.700 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.427 -14.636 2.312 1.00 0.00 H new ATOM 48 N ILE A 6 3.732 -11.828 3.035 1.00 0.00 N ATOM 49 CA ILE A 6 2.775 -10.960 2.369 1.00 0.00 C ATOM 50 C ILE A 6 2.746 -9.603 3.074 1.00 0.00 C ATOM 51 O ILE A 6 2.892 -8.563 2.433 1.00 0.00 O ATOM 52 CB ILE A 6 1.405 -11.638 2.283 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.221 -12.333 0.933 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.282 -10.642 2.574 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.216 -12.833 0.765 1.00 0.00 C ATOM 0 H ILE A 6 3.352 -12.362 3.817 1.00 0.00 H new ATOM 0 HA ILE A 6 3.080 -10.778 1.339 1.00 0.00 H new ATOM 0 HB ILE A 6 1.357 -12.410 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.466 -11.641 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.913 -13.171 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.681 -11.149 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.408 -10.235 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.317 -9.831 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.320 -13.323 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.449 -13.543 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.904 -11.989 0.820 1.00 0.00 H new ATOM 67 N LYS A 7 2.556 -9.657 4.385 1.00 0.00 N ATOM 68 CA LYS A 7 2.506 -8.445 5.184 1.00 0.00 C ATOM 69 C LYS A 7 3.831 -7.693 5.046 1.00 0.00 C ATOM 70 O LYS A 7 3.847 -6.466 4.956 1.00 0.00 O ATOM 71 CB LYS A 7 2.133 -8.772 6.631 1.00 0.00 C ATOM 72 CG LYS A 7 1.251 -7.675 7.231 1.00 0.00 C ATOM 73 CD LYS A 7 1.631 -7.402 8.688 1.00 0.00 C ATOM 74 CE LYS A 7 1.170 -8.543 9.598 1.00 0.00 C ATOM 75 NZ LYS A 7 2.011 -8.609 10.813 1.00 0.00 N ATOM 0 H LYS A 7 2.435 -10.521 4.913 1.00 0.00 H new ATOM 0 HA LYS A 7 1.722 -7.781 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.608 -9.727 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.038 -8.883 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.354 -6.760 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.204 -7.973 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.711 -7.281 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.180 -6.466 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.127 -8.394 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.223 -9.489 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.685 -9.388 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.001 -8.773 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.939 -7.712 11.334 1.00 0.00 H new ATOM 89 N ASN A 8 4.912 -8.460 5.033 1.00 0.00 N ATOM 90 CA ASN A 8 6.238 -7.882 4.907 1.00 0.00 C ATOM 91 C ASN A 8 6.408 -7.305 3.501 1.00 0.00 C ATOM 92 O ASN A 8 6.657 -6.111 3.342 1.00 0.00 O ATOM 93 CB ASN A 8 7.323 -8.940 5.119 1.00 0.00 C ATOM 94 CG ASN A 8 8.463 -8.394 5.980 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.706 -7.200 6.049 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.147 -9.330 6.630 1.00 0.00 N ATOM 0 H ASN A 8 4.896 -9.477 5.108 1.00 0.00 H new ATOM 0 HA ASN A 8 6.340 -7.105 5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.890 -9.819 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.714 -9.263 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.928 -9.066 7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.891 -10.312 6.528 1.00 0.00 H new ATOM 103 N GLY A 9 6.266 -8.180 2.516 1.00 0.00 N ATOM 104 CA GLY A 9 6.400 -7.773 1.127 1.00 0.00 C ATOM 105 C GLY A 9 5.612 -6.490 0.854 1.00 0.00 C ATOM 106 O GLY A 9 6.156 -5.528 0.311 1.00 0.00 O ATOM 0 H GLY A 9 6.059 -9.170 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.452 -7.615 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.042 -8.570 0.475 1.00 0.00 H new ATOM 110 N VAL A 10 4.347 -6.516 1.243 1.00 0.00 N ATOM 111 CA VAL A 10 3.480 -5.366 1.046 1.00 0.00 C ATOM 112 C VAL A 10 4.165 -4.115 1.602 1.00 0.00 C ATOM 113 O VAL A 10 4.296 -3.112 0.902 1.00 0.00 O ATOM 114 CB VAL A 10 2.112 -5.629 1.678 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.391 -4.316 1.994 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.254 -6.520 0.778 1.00 0.00 C ATOM 0 H VAL A 10 3.901 -7.315 1.694 1.00 0.00 H new ATOM 0 HA VAL A 10 3.306 -5.196 -0.016 1.00 0.00 H new ATOM 0 HB VAL A 10 2.275 -6.157 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.421 -4.532 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.991 -3.730 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.247 -3.749 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.287 -6.691 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.106 -6.030 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.757 -7.475 0.625 1.00 0.00 H new ATOM 126 N LEU A 11 4.582 -4.216 2.855 1.00 0.00 N ATOM 127 CA LEU A 11 5.249 -3.105 3.512 1.00 0.00 C ATOM 128 C LEU A 11 6.558 -2.798 2.782 1.00 0.00 C ATOM 129 O LEU A 11 6.813 -1.652 2.413 1.00 0.00 O ATOM 130 CB LEU A 11 5.431 -3.396 5.004 1.00 0.00 C ATOM 131 CG LEU A 11 5.242 -2.206 5.947 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.773 -2.526 7.346 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.879 -0.941 5.368 1.00 0.00 C ATOM 0 H LEU A 11 4.471 -5.049 3.433 1.00 0.00 H new ATOM 0 HA LEU A 11 4.635 -2.206 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.726 -4.177 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.432 -3.799 5.156 1.00 0.00 H new ATOM 0 HG LEU A 11 4.174 -2.013 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.627 -1.664 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.235 -3.383 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.836 -2.760 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.730 -0.110 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.947 -1.105 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.414 -0.705 4.411 1.00 0.00 H new ATOM 145 N ASP A 12 7.353 -3.841 2.596 1.00 0.00 N ATOM 146 CA ASP A 12 8.629 -3.697 1.917 1.00 0.00 C ATOM 147 C ASP A 12 8.416 -2.964 0.590 1.00 0.00 C ATOM 148 O ASP A 12 9.015 -1.916 0.354 1.00 0.00 O ATOM 149 CB ASP A 12 9.246 -5.062 1.608 1.00 0.00 C ATOM 150 CG ASP A 12 10.772 -5.119 1.704 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.301 -4.556 2.686 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.376 -5.725 0.791 1.00 0.00 O ATOM 0 H ASP A 12 7.138 -4.789 2.904 1.00 0.00 H new ATOM 0 HA ASP A 12 9.298 -3.139 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.826 -5.797 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.949 -5.359 0.602 1.00 0.00 H new ATOM 157 N ILE A 13 7.561 -3.544 -0.238 1.00 0.00 N ATOM 158 CA ILE A 13 7.262 -2.959 -1.535 1.00 0.00 C ATOM 159 C ILE A 13 6.753 -1.529 -1.338 1.00 0.00 C ATOM 160 O ILE A 13 6.773 -0.726 -2.269 1.00 0.00 O ATOM 161 CB ILE A 13 6.299 -3.853 -2.317 1.00 0.00 C ATOM 162 CG1 ILE A 13 7.061 -4.808 -3.236 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.274 -3.015 -3.084 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.414 -6.194 -3.244 1.00 0.00 C ATOM 0 H ILE A 13 7.065 -4.413 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 13 8.165 -2.896 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 13 5.746 -4.465 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.080 -4.406 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.096 -4.888 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.601 -3.675 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.699 -2.412 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.791 -2.361 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.975 -6.854 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.418 -6.603 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.386 -6.114 -3.598 1.00 0.00 H new ATOM 176 N LEU A 14 6.307 -1.256 -0.120 1.00 0.00 N ATOM 177 CA LEU A 14 5.793 0.063 0.210 1.00 0.00 C ATOM 178 C LEU A 14 6.962 0.990 0.548 1.00 0.00 C ATOM 179 O LEU A 14 7.196 1.978 -0.147 1.00 0.00 O ATOM 180 CB LEU A 14 4.743 -0.034 1.318 1.00 0.00 C ATOM 181 CG LEU A 14 3.344 0.473 0.963 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.670 -0.450 -0.055 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.492 0.658 2.220 1.00 0.00 C ATOM 0 H LEU A 14 6.291 -1.925 0.650 1.00 0.00 H new ATOM 0 HA LEU A 14 5.279 0.498 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.663 -1.077 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.102 0.526 2.182 1.00 0.00 H new ATOM 0 HG LEU A 14 3.444 1.452 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.677 -0.068 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.270 -0.488 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.583 -1.452 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.503 1.019 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.396 -0.296 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.969 1.383 2.879 1.00 0.00 H new ATOM 195 N ALA A 15 7.664 0.641 1.616 1.00 0.00 N ATOM 196 CA ALA A 15 8.802 1.430 2.055 1.00 0.00 C ATOM 197 C ALA A 15 9.748 1.654 0.873 1.00 0.00 C ATOM 198 O ALA A 15 10.254 2.758 0.679 1.00 0.00 O ATOM 199 CB ALA A 15 9.489 0.727 3.227 1.00 0.00 C ATOM 0 H ALA A 15 7.466 -0.178 2.191 1.00 0.00 H new ATOM 0 HA ALA A 15 8.477 2.409 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.343 1.319 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.783 0.619 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.831 -0.258 2.910 1.00 0.00 H new ATOM 205 N ASP A 16 9.959 0.587 0.115 1.00 0.00 N ATOM 206 CA ASP A 16 10.835 0.653 -1.042 1.00 0.00 C ATOM 207 C ASP A 16 10.281 1.674 -2.038 1.00 0.00 C ATOM 208 O ASP A 16 11.030 2.484 -2.582 1.00 0.00 O ATOM 209 CB ASP A 16 10.917 -0.701 -1.749 1.00 0.00 C ATOM 210 CG ASP A 16 12.169 -1.522 -1.433 1.00 0.00 C ATOM 211 OD1 ASP A 16 13.109 -0.926 -0.866 1.00 0.00 O ATOM 212 OD2 ASP A 16 12.156 -2.727 -1.766 1.00 0.00 O ATOM 0 H ASP A 16 9.538 -0.327 0.280 1.00 0.00 H new ATOM 0 HA ASP A 16 11.828 0.940 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.039 -1.288 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.872 -0.535 -2.825 1.00 0.00 H new ATOM 217 N LEU A 17 8.975 1.602 -2.247 1.00 0.00 N ATOM 218 CA LEU A 17 8.313 2.510 -3.167 1.00 0.00 C ATOM 219 C LEU A 17 8.588 3.953 -2.741 1.00 0.00 C ATOM 220 O LEU A 17 9.133 4.739 -3.514 1.00 0.00 O ATOM 221 CB LEU A 17 6.824 2.173 -3.274 1.00 0.00 C ATOM 222 CG LEU A 17 6.355 1.620 -4.621 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.753 0.223 -4.461 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.386 2.587 -5.303 1.00 0.00 C ATOM 0 H LEU A 17 8.357 0.928 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 17 8.716 2.393 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.580 1.445 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.251 3.074 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 17 7.224 1.523 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.428 -0.147 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.503 -0.452 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.898 0.270 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.068 2.170 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.515 2.739 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.884 3.542 -5.472 1.00 0.00 H new ATOM 236 N THR A 18 8.199 4.258 -1.512 1.00 0.00 N ATOM 237 CA THR A 18 8.397 5.592 -0.974 1.00 0.00 C ATOM 238 C THR A 18 9.888 5.932 -0.926 1.00 0.00 C ATOM 239 O THR A 18 10.300 7.001 -1.376 1.00 0.00 O ATOM 240 CB THR A 18 7.716 5.656 0.395 1.00 0.00 C ATOM 241 OG1 THR A 18 8.522 4.824 1.224 1.00 0.00 O ATOM 242 CG2 THR A 18 6.347 4.973 0.399 1.00 0.00 C ATOM 0 H THR A 18 7.747 3.603 -0.873 1.00 0.00 H new ATOM 0 HA THR A 18 7.943 6.348 -1.615 1.00 0.00 H new ATOM 0 HB THR A 18 7.603 6.698 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.152 4.810 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.907 5.047 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.694 5.462 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.463 3.923 0.131 1.00 0.00 H new ATOM 250 N GLY A 19 10.657 5.003 -0.377 1.00 0.00 N ATOM 251 CA GLY A 19 12.094 5.190 -0.265 1.00 0.00 C ATOM 252 C GLY A 19 12.503 5.437 1.188 1.00 0.00 C ATOM 253 O GLY A 19 13.651 5.784 1.463 1.00 0.00 O ATOM 0 H GLY A 19 10.312 4.118 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.610 4.309 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.404 6.033 -0.882 1.00 0.00 H new ATOM 257 N SER A 20 11.541 5.249 2.080 1.00 0.00 N ATOM 258 CA SER A 20 11.787 5.446 3.499 1.00 0.00 C ATOM 259 C SER A 20 11.193 4.285 4.299 1.00 0.00 C ATOM 260 O SER A 20 10.260 3.626 3.844 1.00 0.00 O ATOM 261 CB SER A 20 11.203 6.776 3.979 1.00 0.00 C ATOM 262 OG SER A 20 12.221 7.702 4.352 1.00 0.00 O ATOM 0 H SER A 20 10.590 4.962 1.848 1.00 0.00 H new ATOM 0 HA SER A 20 12.865 5.475 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.590 7.209 3.188 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.546 6.597 4.830 1.00 0.00 H new ATOM 0 HG SER A 20 11.808 8.539 4.651 1.00 0.00 H new ATOM 268 N ASP A 21 11.758 4.072 5.478 1.00 0.00 N ATOM 269 CA ASP A 21 11.295 3.002 6.346 1.00 0.00 C ATOM 270 C ASP A 21 10.290 3.566 7.352 1.00 0.00 C ATOM 271 O ASP A 21 9.898 2.880 8.295 1.00 0.00 O ATOM 272 CB ASP A 21 12.457 2.389 7.131 1.00 0.00 C ATOM 273 CG ASP A 21 13.747 3.211 7.124 1.00 0.00 C ATOM 274 OD1 ASP A 21 13.673 4.388 7.536 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.779 2.642 6.707 1.00 0.00 O ATOM 0 H ASP A 21 12.531 4.621 5.853 1.00 0.00 H new ATOM 0 HA ASP A 21 10.837 2.235 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.142 2.245 8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.671 1.401 6.722 1.00 0.00 H new ATOM 280 N ASP A 22 9.902 4.812 7.118 1.00 0.00 N ATOM 281 CA ASP A 22 8.950 5.475 7.992 1.00 0.00 C ATOM 282 C ASP A 22 7.655 4.663 8.040 1.00 0.00 C ATOM 283 O ASP A 22 7.026 4.551 9.091 1.00 0.00 O ATOM 284 CB ASP A 22 8.611 6.875 7.475 1.00 0.00 C ATOM 285 CG ASP A 22 8.235 7.891 8.555 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.176 7.472 9.731 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.016 9.062 8.181 1.00 0.00 O ATOM 0 H ASP A 22 10.230 5.379 6.336 1.00 0.00 H new ATOM 0 HA ASP A 22 9.400 5.554 8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.467 7.258 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.784 6.795 6.770 1.00 0.00 H new ATOM 292 N VAL A 23 7.295 4.115 6.889 1.00 0.00 N ATOM 293 CA VAL A 23 6.086 3.315 6.786 1.00 0.00 C ATOM 294 C VAL A 23 6.364 1.907 7.315 1.00 0.00 C ATOM 295 O VAL A 23 5.453 1.221 7.777 1.00 0.00 O ATOM 296 CB VAL A 23 5.574 3.322 5.344 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.704 3.007 4.361 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.408 2.346 5.171 1.00 0.00 C ATOM 0 H VAL A 23 7.819 4.209 6.019 1.00 0.00 H new ATOM 0 HA VAL A 23 5.293 3.742 7.400 1.00 0.00 H new ATOM 0 HB VAL A 23 5.207 4.324 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.314 3.018 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.489 3.757 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.114 2.022 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.063 2.371 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.738 1.337 5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.591 2.634 5.833 1.00 0.00 H new ATOM 308 N LYS A 24 7.629 1.516 7.229 1.00 0.00 N ATOM 309 CA LYS A 24 8.038 0.202 7.693 1.00 0.00 C ATOM 310 C LYS A 24 7.702 0.062 9.179 1.00 0.00 C ATOM 311 O LYS A 24 7.426 -1.037 9.655 1.00 0.00 O ATOM 312 CB LYS A 24 9.514 -0.044 7.370 1.00 0.00 C ATOM 313 CG LYS A 24 9.910 -1.488 7.679 1.00 0.00 C ATOM 314 CD LYS A 24 10.617 -1.586 9.032 1.00 0.00 C ATOM 315 CE LYS A 24 10.861 -3.046 9.420 1.00 0.00 C ATOM 316 NZ LYS A 24 11.186 -3.152 10.860 1.00 0.00 N ATOM 0 H LYS A 24 8.382 2.087 6.845 1.00 0.00 H new ATOM 0 HA LYS A 24 7.486 -0.577 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.700 0.170 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.135 0.639 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.022 -2.119 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.566 -1.865 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.567 -1.054 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.013 -1.099 9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.975 -3.641 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.678 -3.455 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.349 -4.149 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.044 -2.601 11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.394 -2.781 11.423 1.00 0.00 H new ATOM 330 N LYS A 25 7.737 1.192 9.869 1.00 0.00 N ATOM 331 CA LYS A 25 7.439 1.210 11.291 1.00 0.00 C ATOM 332 C LYS A 25 6.022 1.747 11.504 1.00 0.00 C ATOM 333 O LYS A 25 5.241 1.164 12.254 1.00 0.00 O ATOM 334 CB LYS A 25 8.513 1.988 12.054 1.00 0.00 C ATOM 335 CG LYS A 25 8.456 3.478 11.713 1.00 0.00 C ATOM 336 CD LYS A 25 7.376 4.187 12.532 1.00 0.00 C ATOM 337 CE LYS A 25 7.995 5.192 13.505 1.00 0.00 C ATOM 338 NZ LYS A 25 6.938 5.921 14.241 1.00 0.00 N ATOM 0 H LYS A 25 7.967 2.102 9.470 1.00 0.00 H new ATOM 0 HA LYS A 25 7.462 0.199 11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.374 1.851 13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.498 1.592 11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.425 3.937 11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.252 3.604 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.686 4.701 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.793 3.451 13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.644 4.672 14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.619 5.899 12.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.376 6.599 14.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.335 6.433 13.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.359 5.244 14.778 1.00 0.00 H new ATOM 352 N ASN A 26 5.736 2.853 10.833 1.00 0.00 N ATOM 353 CA ASN A 26 4.427 3.475 10.940 1.00 0.00 C ATOM 354 C ASN A 26 3.397 2.616 10.203 1.00 0.00 C ATOM 355 O ASN A 26 3.688 2.065 9.142 1.00 0.00 O ATOM 356 CB ASN A 26 4.426 4.866 10.303 1.00 0.00 C ATOM 357 CG ASN A 26 3.257 5.706 10.824 1.00 0.00 C ATOM 358 OD1 ASN A 26 2.102 5.319 10.756 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.621 6.873 11.347 1.00 0.00 N ATOM 0 H ASN A 26 6.388 3.334 10.213 1.00 0.00 H new ATOM 0 HA ASN A 26 4.180 3.562 11.998 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.367 5.371 10.521 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.358 4.774 9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.915 7.506 11.723 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.606 7.135 11.372 1.00 0.00 H new ATOM 366 N LEU A 27 2.214 2.530 10.795 1.00 0.00 N ATOM 367 CA LEU A 27 1.140 1.748 10.207 1.00 0.00 C ATOM 368 C LEU A 27 -0.070 2.653 9.965 1.00 0.00 C ATOM 369 O LEU A 27 -1.212 2.204 10.048 1.00 0.00 O ATOM 370 CB LEU A 27 0.830 0.526 11.075 1.00 0.00 C ATOM 371 CG LEU A 27 1.952 -0.506 11.205 1.00 0.00 C ATOM 372 CD1 LEU A 27 2.106 -0.970 12.654 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.730 -1.679 10.248 1.00 0.00 C ATOM 0 H LEU A 27 1.976 2.989 11.675 1.00 0.00 H new ATOM 0 HA LEU A 27 1.443 1.353 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.564 0.872 12.074 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.049 0.028 10.666 1.00 0.00 H new ATOM 0 HG LEU A 27 2.890 -0.029 10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.910 -1.703 12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.344 -0.115 13.287 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.174 -1.423 12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.541 -2.398 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.781 -2.163 10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.709 -1.312 9.222 1.00 0.00 H new ATOM 385 N ASP A 28 0.222 3.910 9.670 1.00 0.00 N ATOM 386 CA ASP A 28 -0.827 4.883 9.416 1.00 0.00 C ATOM 387 C ASP A 28 -0.205 6.166 8.861 1.00 0.00 C ATOM 388 O ASP A 28 -0.705 7.261 9.112 1.00 0.00 O ATOM 389 CB ASP A 28 -1.574 5.237 10.703 1.00 0.00 C ATOM 390 CG ASP A 28 -3.091 5.048 10.644 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.509 3.915 10.319 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.798 6.040 10.924 1.00 0.00 O ATOM 0 H ASP A 28 1.171 4.278 9.601 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.526 4.446 8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.178 4.626 11.514 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.362 6.276 10.954 1.00 0.00 H new ATOM 397 N LEU A 29 0.878 5.988 8.119 1.00 0.00 N ATOM 398 CA LEU A 29 1.574 7.118 7.528 1.00 0.00 C ATOM 399 C LEU A 29 0.942 7.449 6.174 1.00 0.00 C ATOM 400 O LEU A 29 1.286 6.844 5.160 1.00 0.00 O ATOM 401 CB LEU A 29 3.077 6.842 7.453 1.00 0.00 C ATOM 402 CG LEU A 29 3.986 8.072 7.447 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.176 8.620 8.863 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.322 7.765 6.768 1.00 0.00 C ATOM 0 H LEU A 29 1.291 5.078 7.914 1.00 0.00 H new ATOM 0 HA LEU A 29 1.466 8.002 8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.354 6.215 8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.275 6.264 6.550 1.00 0.00 H new ATOM 0 HG LEU A 29 3.500 8.852 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.826 9.494 8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.208 8.903 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.629 7.854 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.949 8.657 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.826 6.961 7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.144 7.458 5.737 1.00 0.00 H new ATOM 416 N ASN A 30 0.029 8.408 6.203 1.00 0.00 N ATOM 417 CA ASN A 30 -0.655 8.828 4.991 1.00 0.00 C ATOM 418 C ASN A 30 0.356 8.915 3.845 1.00 0.00 C ATOM 419 O ASN A 30 1.045 9.922 3.696 1.00 0.00 O ATOM 420 CB ASN A 30 -1.291 10.208 5.167 1.00 0.00 C ATOM 421 CG ASN A 30 -2.024 10.307 6.505 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.795 11.200 7.305 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.919 9.343 6.705 1.00 0.00 N ATOM 0 H ASN A 30 -0.254 8.907 7.047 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.434 8.098 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.520 10.977 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.989 10.398 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.462 9.322 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.062 8.625 5.995 1.00 0.00 H new ATOM 430 N LEU A 31 0.410 7.845 3.065 1.00 0.00 N ATOM 431 CA LEU A 31 1.326 7.788 1.938 1.00 0.00 C ATOM 432 C LEU A 31 1.077 8.990 1.024 1.00 0.00 C ATOM 433 O LEU A 31 1.937 9.354 0.222 1.00 0.00 O ATOM 434 CB LEU A 31 1.212 6.439 1.223 1.00 0.00 C ATOM 435 CG LEU A 31 1.380 5.199 2.103 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.765 3.967 1.437 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.850 4.980 2.467 1.00 0.00 C ATOM 0 H LEU A 31 -0.165 7.012 3.191 1.00 0.00 H new ATOM 0 HA LEU A 31 2.358 7.855 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.237 6.388 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.962 6.404 0.433 1.00 0.00 H new ATOM 0 HG LEU A 31 0.839 5.365 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.898 3.099 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.299 4.136 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.257 3.786 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.942 4.092 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.434 4.844 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.223 5.848 3.011 1.00 0.00 H new ATOM 449 N PHE A 32 -0.102 9.574 1.175 1.00 0.00 N ATOM 450 CA PHE A 32 -0.475 10.727 0.373 1.00 0.00 C ATOM 451 C PHE A 32 -0.089 12.031 1.076 1.00 0.00 C ATOM 452 O PHE A 32 0.520 12.910 0.469 1.00 0.00 O ATOM 453 CB PHE A 32 -1.995 10.684 0.205 1.00 0.00 C ATOM 454 CG PHE A 32 -2.471 9.750 -0.910 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.051 8.457 -0.940 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.314 10.214 -1.871 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.492 7.591 -1.976 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.755 9.349 -2.907 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.335 8.055 -2.937 1.00 0.00 C ATOM 0 H PHE A 32 -0.812 9.270 1.841 1.00 0.00 H new ATOM 0 HA PHE A 32 0.041 10.695 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.446 10.369 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.356 11.692 0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.382 8.089 -0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.648 11.241 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.158 6.564 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.423 9.718 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.671 7.396 -3.724 1.00 0.00 H new ATOM 469 N GLU A 33 -0.460 12.113 2.346 1.00 0.00 N ATOM 470 CA GLU A 33 -0.159 13.295 3.138 1.00 0.00 C ATOM 471 C GLU A 33 1.347 13.401 3.382 1.00 0.00 C ATOM 472 O GLU A 33 1.844 14.459 3.767 1.00 0.00 O ATOM 473 CB GLU A 33 -0.930 13.278 4.459 1.00 0.00 C ATOM 474 CG GLU A 33 -1.488 14.665 4.785 1.00 0.00 C ATOM 475 CD GLU A 33 -1.582 14.876 6.298 1.00 0.00 C ATOM 476 OE1 GLU A 33 -2.412 14.175 6.918 1.00 0.00 O ATOM 477 OE2 GLU A 33 -0.823 15.733 6.800 1.00 0.00 O ATOM 0 H GLU A 33 -0.966 11.382 2.846 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.478 14.175 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.746 12.558 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.273 12.948 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.848 15.431 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.475 14.779 4.336 1.00 0.00 H new ATOM 484 N THR A 34 2.033 12.291 3.148 1.00 0.00 N ATOM 485 CA THR A 34 3.472 12.247 3.338 1.00 0.00 C ATOM 486 C THR A 34 4.193 12.663 2.055 1.00 0.00 C ATOM 487 O THR A 34 5.363 13.042 2.090 1.00 0.00 O ATOM 488 CB THR A 34 3.843 10.841 3.814 1.00 0.00 C ATOM 489 OG1 THR A 34 3.254 9.979 2.843 1.00 0.00 O ATOM 490 CG2 THR A 34 3.144 10.461 5.121 1.00 0.00 C ATOM 0 H THR A 34 1.618 11.416 2.829 1.00 0.00 H new ATOM 0 HA THR A 34 3.792 12.959 4.099 1.00 0.00 H new ATOM 0 HB THR A 34 4.923 10.777 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.351 9.730 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.442 9.454 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.427 11.165 5.903 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.064 10.492 4.978 1.00 0.00 H new ATOM 498 N GLY A 35 3.464 12.581 0.951 1.00 0.00 N ATOM 499 CA GLY A 35 4.019 12.945 -0.341 1.00 0.00 C ATOM 500 C GLY A 35 4.763 11.766 -0.970 1.00 0.00 C ATOM 501 O GLY A 35 5.195 11.840 -2.120 1.00 0.00 O ATOM 0 H GLY A 35 2.494 12.268 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.219 13.271 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.700 13.788 -0.224 1.00 0.00 H new ATOM 505 N LEU A 36 4.891 10.703 -0.189 1.00 0.00 N ATOM 506 CA LEU A 36 5.576 9.510 -0.654 1.00 0.00 C ATOM 507 C LEU A 36 4.866 8.973 -1.899 1.00 0.00 C ATOM 508 O LEU A 36 5.509 8.669 -2.902 1.00 0.00 O ATOM 509 CB LEU A 36 5.695 8.485 0.475 1.00 0.00 C ATOM 510 CG LEU A 36 6.699 8.819 1.581 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.684 7.751 2.676 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.100 9.031 1.004 1.00 0.00 C ATOM 0 H LEU A 36 4.531 10.644 0.764 1.00 0.00 H new ATOM 0 HA LEU A 36 6.599 9.748 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.712 8.359 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.970 7.524 0.039 1.00 0.00 H new ATOM 0 HG LEU A 36 6.397 9.758 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.406 8.013 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.688 7.693 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.947 6.785 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.794 9.267 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.427 8.122 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.079 9.855 0.291 1.00 0.00 H new ATOM 524 N LEU A 37 3.549 8.872 -1.793 1.00 0.00 N ATOM 525 CA LEU A 37 2.745 8.377 -2.897 1.00 0.00 C ATOM 526 C LEU A 37 1.848 9.503 -3.414 1.00 0.00 C ATOM 527 O LEU A 37 1.355 10.317 -2.634 1.00 0.00 O ATOM 528 CB LEU A 37 1.976 7.122 -2.479 1.00 0.00 C ATOM 529 CG LEU A 37 2.020 5.950 -3.461 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.080 6.190 -4.644 1.00 0.00 C ATOM 531 CD2 LEU A 37 3.454 5.670 -3.917 1.00 0.00 C ATOM 0 H LEU A 37 3.019 9.125 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 37 3.383 8.071 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.368 6.782 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.933 7.396 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 37 1.666 5.058 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.131 5.342 -5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.059 6.303 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.380 7.097 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.457 4.832 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.858 6.554 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.069 5.424 -3.052 1.00 0.00 H new ATOM 543 N ASP A 38 1.664 9.515 -4.726 1.00 0.00 N ATOM 544 CA ASP A 38 0.835 10.528 -5.357 1.00 0.00 C ATOM 545 C ASP A 38 -0.405 9.865 -5.957 1.00 0.00 C ATOM 546 O ASP A 38 -1.532 10.253 -5.650 1.00 0.00 O ATOM 547 CB ASP A 38 1.590 11.230 -6.488 1.00 0.00 C ATOM 548 CG ASP A 38 1.545 12.759 -6.442 1.00 0.00 C ATOM 549 OD1 ASP A 38 0.695 13.280 -5.690 1.00 0.00 O ATOM 550 OD2 ASP A 38 2.364 13.372 -7.161 1.00 0.00 O ATOM 0 H ASP A 38 2.075 8.839 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 38 0.560 11.260 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.632 10.911 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.178 10.898 -7.441 1.00 0.00 H new ATOM 555 N SER A 39 -0.158 8.875 -6.803 1.00 0.00 N ATOM 556 CA SER A 39 -1.242 8.154 -7.449 1.00 0.00 C ATOM 557 C SER A 39 -0.674 7.094 -8.395 1.00 0.00 C ATOM 558 O SER A 39 -0.971 5.908 -8.254 1.00 0.00 O ATOM 559 CB SER A 39 -2.160 9.110 -8.213 1.00 0.00 C ATOM 560 OG SER A 39 -2.936 8.431 -9.197 1.00 0.00 O ATOM 0 H SER A 39 0.777 8.555 -7.056 1.00 0.00 H new ATOM 0 HA SER A 39 -1.835 7.663 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.825 9.613 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.560 9.883 -8.694 1.00 0.00 H new ATOM 0 HG SER A 39 -3.510 9.075 -9.662 1.00 0.00 H new ATOM 566 N MET A 40 0.134 7.558 -9.336 1.00 0.00 N ATOM 567 CA MET A 40 0.746 6.664 -10.306 1.00 0.00 C ATOM 568 C MET A 40 1.483 5.521 -9.606 1.00 0.00 C ATOM 569 O MET A 40 1.446 4.380 -10.067 1.00 0.00 O ATOM 570 CB MET A 40 1.730 7.451 -11.175 1.00 0.00 C ATOM 571 CG MET A 40 0.989 8.305 -12.204 1.00 0.00 C ATOM 572 SD MET A 40 0.155 7.256 -13.384 1.00 0.00 S ATOM 573 CE MET A 40 1.562 6.608 -14.270 1.00 0.00 C ATOM 0 H MET A 40 0.380 8.542 -9.448 1.00 0.00 H new ATOM 0 HA MET A 40 -0.041 6.237 -10.928 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.348 8.090 -10.544 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.402 6.761 -11.686 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.266 8.948 -11.702 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.692 8.959 -12.720 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.255 6.312 -15.273 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.334 7.375 -14.338 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.957 5.741 -13.741 1.00 0.00 H new ATOM 583 N GLY A 41 2.135 5.864 -8.505 1.00 0.00 N ATOM 584 CA GLY A 41 2.879 4.879 -7.738 1.00 0.00 C ATOM 585 C GLY A 41 1.979 3.716 -7.319 1.00 0.00 C ATOM 586 O GLY A 41 2.387 2.557 -7.382 1.00 0.00 O ATOM 0 H GLY A 41 2.164 6.810 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.712 4.503 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.307 5.350 -6.853 1.00 0.00 H new ATOM 590 N THR A 42 0.771 4.065 -6.901 1.00 0.00 N ATOM 591 CA THR A 42 -0.191 3.063 -6.472 1.00 0.00 C ATOM 592 C THR A 42 -0.442 2.051 -7.592 1.00 0.00 C ATOM 593 O THR A 42 -0.653 0.868 -7.328 1.00 0.00 O ATOM 594 CB THR A 42 -1.457 3.790 -6.015 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.848 3.096 -4.834 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.631 3.581 -6.975 1.00 0.00 C ATOM 0 H THR A 42 0.436 5.027 -6.850 1.00 0.00 H new ATOM 0 HA THR A 42 0.190 2.482 -5.632 1.00 0.00 H new ATOM 0 HB THR A 42 -1.250 4.856 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.661 3.503 -4.469 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.504 4.118 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.365 3.958 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.861 2.518 -7.043 1.00 0.00 H new ATOM 604 N VAL A 43 -0.411 2.552 -8.818 1.00 0.00 N ATOM 605 CA VAL A 43 -0.631 1.707 -9.978 1.00 0.00 C ATOM 606 C VAL A 43 0.407 0.583 -9.992 1.00 0.00 C ATOM 607 O VAL A 43 0.209 -0.444 -10.638 1.00 0.00 O ATOM 608 CB VAL A 43 -0.615 2.552 -11.253 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.841 1.682 -12.491 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.646 3.679 -11.178 1.00 0.00 C ATOM 0 H VAL A 43 -0.237 3.534 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.614 1.239 -9.927 1.00 0.00 H new ATOM 0 HB VAL A 43 0.372 3.007 -11.340 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.825 2.308 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.052 0.933 -12.559 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.808 1.184 -12.414 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.613 4.264 -12.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.642 3.253 -11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.419 4.324 -10.329 1.00 0.00 H new ATOM 620 N GLN A 44 1.494 0.817 -9.269 1.00 0.00 N ATOM 621 CA GLN A 44 2.564 -0.162 -9.189 1.00 0.00 C ATOM 622 C GLN A 44 2.222 -1.240 -8.159 1.00 0.00 C ATOM 623 O GLN A 44 2.016 -2.400 -8.514 1.00 0.00 O ATOM 624 CB GLN A 44 3.897 0.511 -8.857 1.00 0.00 C ATOM 625 CG GLN A 44 5.039 -0.509 -8.852 1.00 0.00 C ATOM 626 CD GLN A 44 6.221 -0.012 -9.687 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.848 0.991 -9.386 1.00 0.00 O ATOM 628 NE2 GLN A 44 6.488 -0.766 -10.749 1.00 0.00 N ATOM 0 H GLN A 44 1.656 1.670 -8.734 1.00 0.00 H new ATOM 0 HA GLN A 44 2.668 -0.639 -10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.106 1.293 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.832 0.994 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.364 -0.692 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.684 -1.460 -9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.923 -1.593 -10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.258 -0.518 -11.370 1.00 0.00 H new ATOM 637 N LEU A 45 2.171 -0.819 -6.904 1.00 0.00 N ATOM 638 CA LEU A 45 1.858 -1.734 -5.819 1.00 0.00 C ATOM 639 C LEU A 45 0.718 -2.659 -6.252 1.00 0.00 C ATOM 640 O LEU A 45 0.784 -3.870 -6.044 1.00 0.00 O ATOM 641 CB LEU A 45 1.566 -0.961 -4.532 1.00 0.00 C ATOM 642 CG LEU A 45 1.164 0.506 -4.707 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.110 0.912 -3.676 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.391 1.419 -4.663 1.00 0.00 C ATOM 0 H LEU A 45 2.341 0.144 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 45 2.717 -2.367 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.768 -1.475 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.452 -1.001 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 45 0.712 0.622 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.158 1.958 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.777 0.290 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.512 0.777 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.078 2.455 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.894 1.307 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.076 1.146 -5.465 1.00 0.00 H new ATOM 656 N LEU A 46 -0.300 -2.054 -6.845 1.00 0.00 N ATOM 657 CA LEU A 46 -1.452 -2.808 -7.310 1.00 0.00 C ATOM 658 C LEU A 46 -0.976 -3.980 -8.170 1.00 0.00 C ATOM 659 O LEU A 46 -1.448 -5.104 -8.011 1.00 0.00 O ATOM 660 CB LEU A 46 -2.445 -1.887 -8.020 1.00 0.00 C ATOM 661 CG LEU A 46 -3.813 -1.733 -7.353 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.676 -0.714 -8.099 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.513 -3.087 -7.219 1.00 0.00 C ATOM 0 H LEU A 46 -0.351 -1.049 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.995 -3.232 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.993 -0.899 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.597 -2.261 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.659 -1.348 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.643 -0.624 -7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.177 0.255 -8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.824 -1.046 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.483 -2.949 -6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.654 -3.523 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.901 -3.754 -6.612 1.00 0.00 H new ATOM 675 N LEU A 47 -0.047 -3.676 -9.065 1.00 0.00 N ATOM 676 CA LEU A 47 0.498 -4.690 -9.952 1.00 0.00 C ATOM 677 C LEU A 47 1.318 -5.690 -9.134 1.00 0.00 C ATOM 678 O LEU A 47 1.511 -6.830 -9.554 1.00 0.00 O ATOM 679 CB LEU A 47 1.284 -4.039 -11.092 1.00 0.00 C ATOM 680 CG LEU A 47 1.057 -4.629 -12.486 1.00 0.00 C ATOM 681 CD1 LEU A 47 1.594 -6.059 -12.568 1.00 0.00 C ATOM 682 CD2 LEU A 47 -0.418 -4.546 -12.883 1.00 0.00 C ATOM 0 H LEU A 47 0.342 -2.742 -9.195 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.306 -5.250 -10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.031 -2.979 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.347 -4.107 -10.859 1.00 0.00 H new ATOM 0 HG LEU A 47 1.617 -4.032 -13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.421 -6.456 -13.568 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.664 -6.059 -12.358 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.081 -6.683 -11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.552 -4.972 -13.877 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.020 -5.104 -12.165 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.735 -3.503 -12.889 1.00 0.00 H new ATOM 694 N GLU A 48 1.777 -5.227 -7.980 1.00 0.00 N ATOM 695 CA GLU A 48 2.571 -6.067 -7.099 1.00 0.00 C ATOM 696 C GLU A 48 1.662 -6.830 -6.134 1.00 0.00 C ATOM 697 O GLU A 48 2.056 -7.860 -5.589 1.00 0.00 O ATOM 698 CB GLU A 48 3.607 -5.237 -6.338 1.00 0.00 C ATOM 699 CG GLU A 48 4.932 -5.991 -6.217 1.00 0.00 C ATOM 700 CD GLU A 48 5.691 -5.983 -7.545 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.015 -6.124 -8.586 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.931 -5.836 -7.489 1.00 0.00 O ATOM 0 H GLU A 48 1.614 -4.281 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 48 3.112 -6.792 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.769 -4.290 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.228 -4.998 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.545 -5.533 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.743 -7.019 -5.909 1.00 0.00 H new ATOM 709 N LEU A 49 0.465 -6.297 -5.951 1.00 0.00 N ATOM 710 CA LEU A 49 -0.504 -6.915 -5.060 1.00 0.00 C ATOM 711 C LEU A 49 -1.355 -7.910 -5.851 1.00 0.00 C ATOM 712 O LEU A 49 -2.009 -8.773 -5.269 1.00 0.00 O ATOM 713 CB LEU A 49 -1.323 -5.846 -4.334 1.00 0.00 C ATOM 714 CG LEU A 49 -0.611 -5.116 -3.194 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.611 -4.353 -2.323 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.243 -6.083 -2.371 1.00 0.00 C ATOM 0 H LEU A 49 0.142 -5.442 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 49 0.004 -7.480 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.648 -5.106 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.222 -6.315 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 49 0.065 -4.380 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.079 -3.843 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.138 -3.619 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.329 -5.053 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.738 -5.538 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.394 -6.858 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.994 -6.543 -3.014 1.00 0.00 H new ATOM 728 N GLN A 50 -1.319 -7.756 -7.166 1.00 0.00 N ATOM 729 CA GLN A 50 -2.079 -8.631 -8.043 1.00 0.00 C ATOM 730 C GLN A 50 -1.151 -9.645 -8.717 1.00 0.00 C ATOM 731 O GLN A 50 -1.448 -10.137 -9.804 1.00 0.00 O ATOM 732 CB GLN A 50 -2.856 -7.824 -9.084 1.00 0.00 C ATOM 733 CG GLN A 50 -3.914 -8.688 -9.772 1.00 0.00 C ATOM 734 CD GLN A 50 -3.747 -8.655 -11.292 1.00 0.00 C ATOM 735 OE1 GLN A 50 -2.685 -8.369 -11.820 1.00 0.00 O ATOM 736 NE2 GLN A 50 -4.853 -8.961 -11.965 1.00 0.00 N ATOM 0 H GLN A 50 -0.776 -7.038 -7.646 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.804 -9.177 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.335 -6.971 -8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.167 -7.426 -9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.836 -9.716 -9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.909 -8.332 -9.504 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.709 -9.191 -11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.845 -8.966 -12.985 1.00 0.00 H new ATOM 745 N SER A 51 -0.045 -9.925 -8.044 1.00 0.00 N ATOM 746 CA SER A 51 0.928 -10.871 -8.562 1.00 0.00 C ATOM 747 C SER A 51 1.411 -11.793 -7.442 1.00 0.00 C ATOM 748 O SER A 51 1.279 -13.013 -7.537 1.00 0.00 O ATOM 749 CB SER A 51 2.114 -10.146 -9.201 1.00 0.00 C ATOM 750 OG SER A 51 2.195 -10.387 -10.603 1.00 0.00 O ATOM 0 H SER A 51 0.199 -9.513 -7.143 1.00 0.00 H new ATOM 0 HA SER A 51 0.444 -11.471 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.023 -9.075 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.038 -10.472 -8.723 1.00 0.00 H new ATOM 0 HG SER A 51 2.964 -9.906 -10.974 1.00 0.00 H new ATOM 756 N GLN A 52 1.960 -11.177 -6.406 1.00 0.00 N ATOM 757 CA GLN A 52 2.464 -11.928 -5.269 1.00 0.00 C ATOM 758 C GLN A 52 1.320 -12.274 -4.313 1.00 0.00 C ATOM 759 O GLN A 52 1.436 -13.198 -3.511 1.00 0.00 O ATOM 760 CB GLN A 52 3.567 -11.153 -4.545 1.00 0.00 C ATOM 761 CG GLN A 52 4.797 -10.986 -5.441 1.00 0.00 C ATOM 762 CD GLN A 52 5.706 -12.213 -5.358 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.351 -13.311 -5.756 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.898 -11.968 -4.819 1.00 0.00 N ATOM 0 H GLN A 52 2.067 -10.165 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 52 2.899 -12.857 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.193 -10.173 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.846 -11.678 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.481 -10.832 -6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.352 -10.097 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.132 -11.026 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.577 -12.722 -4.719 1.00 0.00 H new ATOM 773 N PHE A 53 0.242 -11.511 -4.430 1.00 0.00 N ATOM 774 CA PHE A 53 -0.921 -11.726 -3.587 1.00 0.00 C ATOM 775 C PHE A 53 -2.167 -12.000 -4.430 1.00 0.00 C ATOM 776 O PHE A 53 -3.017 -12.802 -4.047 1.00 0.00 O ATOM 777 CB PHE A 53 -1.136 -10.440 -2.785 1.00 0.00 C ATOM 778 CG PHE A 53 0.155 -9.820 -2.246 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.050 -9.260 -3.103 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.408 -9.830 -0.909 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.248 -8.685 -2.603 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.607 -9.255 -0.410 1.00 0.00 C ATOM 783 CZ PHE A 53 2.501 -8.695 -1.267 1.00 0.00 C ATOM 0 H PHE A 53 0.150 -10.744 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.756 -12.587 -2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.641 -9.710 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.802 -10.653 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.850 -9.253 -4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.302 -10.275 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.958 -8.240 -3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.808 -9.263 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.412 -8.258 -0.887 1.00 0.00 H new ATOM 793 N GLY A 54 -2.237 -11.319 -5.565 1.00 0.00 N ATOM 794 CA GLY A 54 -3.364 -11.480 -6.466 1.00 0.00 C ATOM 795 C GLY A 54 -4.587 -10.713 -5.957 1.00 0.00 C ATOM 796 O GLY A 54 -5.696 -11.245 -5.941 1.00 0.00 O ATOM 0 H GLY A 54 -1.531 -10.654 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.094 -11.123 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.608 -12.538 -6.563 1.00 0.00 H new ATOM 800 N VAL A 55 -4.343 -9.475 -5.552 1.00 0.00 N ATOM 801 CA VAL A 55 -5.410 -8.631 -5.044 1.00 0.00 C ATOM 802 C VAL A 55 -6.302 -8.188 -6.205 1.00 0.00 C ATOM 803 O VAL A 55 -5.884 -8.221 -7.362 1.00 0.00 O ATOM 804 CB VAL A 55 -4.819 -7.456 -4.262 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.317 -6.364 -5.209 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.835 -6.892 -3.267 1.00 0.00 C ATOM 0 H VAL A 55 -3.422 -9.037 -5.566 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.037 -9.187 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.965 -7.828 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.902 -5.541 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.545 -6.774 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.146 -5.998 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.389 -6.058 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.717 -6.545 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.124 -7.671 -2.561 1.00 0.00 H new ATOM 816 N ASP A 56 -7.515 -7.784 -5.858 1.00 0.00 N ATOM 817 CA ASP A 56 -8.470 -7.335 -6.856 1.00 0.00 C ATOM 818 C ASP A 56 -9.071 -5.999 -6.417 1.00 0.00 C ATOM 819 O ASP A 56 -9.785 -5.935 -5.417 1.00 0.00 O ATOM 820 CB ASP A 56 -9.613 -8.339 -7.015 1.00 0.00 C ATOM 821 CG ASP A 56 -10.714 -7.917 -7.991 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.458 -6.963 -8.757 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.786 -8.558 -7.949 1.00 0.00 O ATOM 0 H ASP A 56 -7.859 -7.758 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.944 -7.235 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.197 -9.290 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.062 -8.513 -6.037 1.00 0.00 H new ATOM 828 N ALA A 57 -8.762 -4.966 -7.186 1.00 0.00 N ATOM 829 CA ALA A 57 -9.264 -3.635 -6.889 1.00 0.00 C ATOM 830 C ALA A 57 -9.235 -2.787 -8.162 1.00 0.00 C ATOM 831 O ALA A 57 -8.504 -3.097 -9.102 1.00 0.00 O ATOM 832 CB ALA A 57 -8.436 -3.018 -5.760 1.00 0.00 C ATOM 0 H ALA A 57 -8.170 -5.023 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.298 -3.683 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.812 -2.020 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.513 -3.642 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.393 -2.952 -6.068 1.00 0.00 H new ATOM 838 N PRO A 58 -10.062 -1.707 -8.152 1.00 0.00 N ATOM 839 CA PRO A 58 -10.139 -0.813 -9.295 1.00 0.00 C ATOM 840 C PRO A 58 -8.905 0.088 -9.370 1.00 0.00 C ATOM 841 O PRO A 58 -8.027 0.017 -8.512 1.00 0.00 O ATOM 842 CB PRO A 58 -11.431 -0.037 -9.101 1.00 0.00 C ATOM 843 CG PRO A 58 -11.792 -0.190 -7.633 1.00 0.00 C ATOM 844 CD PRO A 58 -10.942 -1.310 -7.058 1.00 0.00 C ATOM 0 HA PRO A 58 -10.149 -1.345 -10.246 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.299 1.013 -9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.222 -0.429 -9.741 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.610 0.741 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.852 -0.420 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.371 -0.970 -6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.559 -2.144 -6.724 1.00 0.00 H new ATOM 852 N VAL A 59 -8.878 0.916 -10.405 1.00 0.00 N ATOM 853 CA VAL A 59 -7.766 1.830 -10.602 1.00 0.00 C ATOM 854 C VAL A 59 -8.308 3.213 -10.969 1.00 0.00 C ATOM 855 O VAL A 59 -7.843 4.225 -10.448 1.00 0.00 O ATOM 856 CB VAL A 59 -6.805 1.266 -11.651 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.623 2.212 -11.875 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.322 -0.131 -11.257 1.00 0.00 C ATOM 0 H VAL A 59 -9.608 0.973 -11.115 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.193 1.939 -9.681 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.348 1.179 -12.592 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.955 1.788 -12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.991 3.178 -12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.080 2.344 -10.939 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.641 -0.509 -12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.803 -0.080 -10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.177 -0.801 -11.171 1.00 0.00 H new ATOM 868 N SER A 60 -9.284 3.211 -11.867 1.00 0.00 N ATOM 869 CA SER A 60 -9.894 4.454 -12.310 1.00 0.00 C ATOM 870 C SER A 60 -10.027 5.422 -11.133 1.00 0.00 C ATOM 871 O SER A 60 -9.455 6.509 -11.151 1.00 0.00 O ATOM 872 CB SER A 60 -11.262 4.198 -12.945 1.00 0.00 C ATOM 873 OG SER A 60 -12.103 3.412 -12.104 1.00 0.00 O ATOM 0 H SER A 60 -9.667 2.370 -12.299 1.00 0.00 H new ATOM 0 HA SER A 60 -9.249 4.901 -13.067 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.748 5.151 -13.155 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.129 3.691 -13.900 1.00 0.00 H new ATOM 0 HG SER A 60 -12.967 3.272 -12.544 1.00 0.00 H new ATOM 879 N GLU A 61 -10.786 4.990 -10.136 1.00 0.00 N ATOM 880 CA GLU A 61 -11.001 5.804 -8.952 1.00 0.00 C ATOM 881 C GLU A 61 -10.963 4.933 -7.694 1.00 0.00 C ATOM 882 O GLU A 61 -11.938 4.875 -6.946 1.00 0.00 O ATOM 883 CB GLU A 61 -12.322 6.572 -9.048 1.00 0.00 C ATOM 884 CG GLU A 61 -12.073 8.066 -9.266 1.00 0.00 C ATOM 885 CD GLU A 61 -13.353 8.874 -9.042 1.00 0.00 C ATOM 886 OE1 GLU A 61 -14.139 8.971 -10.009 1.00 0.00 O ATOM 887 OE2 GLU A 61 -13.516 9.375 -7.909 1.00 0.00 O ATOM 0 H GLU A 61 -11.260 4.087 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.196 6.536 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.918 6.175 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.899 6.425 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.296 8.412 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.706 8.233 -10.279 1.00 0.00 H new ATOM 894 N PHE A 62 -9.829 4.279 -7.501 1.00 0.00 N ATOM 895 CA PHE A 62 -9.650 3.415 -6.347 1.00 0.00 C ATOM 896 C PHE A 62 -9.778 4.206 -5.044 1.00 0.00 C ATOM 897 O PHE A 62 -9.601 5.423 -5.032 1.00 0.00 O ATOM 898 CB PHE A 62 -8.238 2.832 -6.438 1.00 0.00 C ATOM 899 CG PHE A 62 -7.132 3.886 -6.505 1.00 0.00 C ATOM 900 CD1 PHE A 62 -6.893 4.690 -5.435 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.388 4.021 -7.636 1.00 0.00 C ATOM 902 CE1 PHE A 62 -5.867 5.668 -5.497 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.362 5.000 -7.698 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.122 5.803 -6.627 1.00 0.00 C ATOM 0 H PHE A 62 -9.024 4.330 -8.125 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.413 2.636 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.064 2.192 -5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.175 2.197 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.484 4.584 -4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.578 3.383 -8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.677 6.306 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.772 5.107 -8.596 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.341 6.547 -6.674 1.00 0.00 H new ATOM 914 N ASP A 63 -10.087 3.482 -3.977 1.00 0.00 N ATOM 915 CA ASP A 63 -10.241 4.102 -2.672 1.00 0.00 C ATOM 916 C ASP A 63 -8.873 4.562 -2.165 1.00 0.00 C ATOM 917 O ASP A 63 -8.240 3.875 -1.364 1.00 0.00 O ATOM 918 CB ASP A 63 -10.813 3.111 -1.656 1.00 0.00 C ATOM 919 CG ASP A 63 -12.290 3.315 -1.314 1.00 0.00 C ATOM 920 OD1 ASP A 63 -13.063 3.567 -2.263 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.612 3.215 -0.111 1.00 0.00 O ATOM 0 H ASP A 63 -10.235 2.473 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.924 4.945 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.682 2.101 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.230 3.179 -0.737 1.00 0.00 H new ATOM 926 N ARG A 64 -8.456 5.721 -2.653 1.00 0.00 N ATOM 927 CA ARG A 64 -7.174 6.281 -2.260 1.00 0.00 C ATOM 928 C ARG A 64 -7.017 6.230 -0.739 1.00 0.00 C ATOM 929 O ARG A 64 -5.921 5.996 -0.232 1.00 0.00 O ATOM 930 CB ARG A 64 -7.038 7.730 -2.731 1.00 0.00 C ATOM 931 CG ARG A 64 -8.309 8.526 -2.430 1.00 0.00 C ATOM 932 CD ARG A 64 -8.076 9.521 -1.291 1.00 0.00 C ATOM 933 NE ARG A 64 -9.350 9.790 -0.586 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.304 10.610 -1.047 1.00 0.00 C ATOM 935 NH1 ARG A 64 -10.135 11.245 -2.215 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.427 10.794 -0.340 1.00 0.00 N ATOM 0 H ARG A 64 -8.983 6.288 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.393 5.683 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.186 8.198 -2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.837 7.751 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.628 9.060 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.115 7.843 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.341 9.121 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.666 10.450 -1.687 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.511 9.322 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.280 11.104 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.861 11.869 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.555 10.310 0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.154 11.418 -0.690 1.00 0.00 H new ATOM 950 N LYS A 65 -8.129 6.453 -0.053 1.00 0.00 N ATOM 951 CA LYS A 65 -8.128 6.436 1.400 1.00 0.00 C ATOM 952 C LYS A 65 -7.649 5.067 1.889 1.00 0.00 C ATOM 953 O LYS A 65 -7.031 4.964 2.948 1.00 0.00 O ATOM 954 CB LYS A 65 -9.502 6.836 1.941 1.00 0.00 C ATOM 955 CG LYS A 65 -9.736 6.246 3.333 1.00 0.00 C ATOM 956 CD LYS A 65 -10.495 7.231 4.226 1.00 0.00 C ATOM 957 CE LYS A 65 -9.547 8.277 4.816 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.300 9.477 5.242 1.00 0.00 N ATOM 0 H LYS A 65 -9.036 6.646 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.430 7.177 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.577 7.923 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.280 6.490 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.300 5.317 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.779 5.997 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.274 7.726 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.992 6.689 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.014 7.854 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.797 8.555 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.642 10.177 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.789 9.889 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.999 9.210 5.964 1.00 0.00 H new ATOM 972 N GLU A 66 -7.953 4.050 1.095 1.00 0.00 N ATOM 973 CA GLU A 66 -7.562 2.694 1.434 1.00 0.00 C ATOM 974 C GLU A 66 -6.129 2.422 0.968 1.00 0.00 C ATOM 975 O GLU A 66 -5.435 1.584 1.541 1.00 0.00 O ATOM 976 CB GLU A 66 -8.535 1.676 0.835 1.00 0.00 C ATOM 977 CG GLU A 66 -8.047 0.245 1.071 1.00 0.00 C ATOM 978 CD GLU A 66 -9.206 -0.750 0.988 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.942 -0.680 -0.019 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.329 -1.558 1.934 1.00 0.00 O ATOM 0 H GLU A 66 -8.466 4.139 0.218 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.598 2.587 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.522 1.805 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.642 1.856 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.289 -0.011 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.573 0.175 2.050 1.00 0.00 H new ATOM 987 N TRP A 67 -5.730 3.147 -0.067 1.00 0.00 N ATOM 988 CA TRP A 67 -4.394 2.996 -0.616 1.00 0.00 C ATOM 989 C TRP A 67 -3.554 4.187 -0.151 1.00 0.00 C ATOM 990 O TRP A 67 -2.515 4.485 -0.740 1.00 0.00 O ATOM 991 CB TRP A 67 -4.440 2.853 -2.138 1.00 0.00 C ATOM 992 CG TRP A 67 -5.520 1.894 -2.642 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.749 2.196 -3.086 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.421 0.458 -2.735 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.444 1.063 -3.457 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.611 -0.027 -3.236 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.360 -0.403 -2.404 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.854 -1.388 -3.454 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.618 -1.762 -2.627 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.810 -2.266 -3.132 1.00 0.00 C ATOM 0 H TRP A 67 -6.309 3.841 -0.540 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.929 2.080 -0.252 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.607 3.835 -2.580 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.468 2.506 -2.489 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.145 3.199 -3.146 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.395 1.031 -3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.421 -0.045 -2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.795 -1.742 -3.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.835 -2.467 -2.390 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.932 -3.329 -3.276 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.035 4.836 0.898 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.342 5.989 1.448 1.00 0.00 C ATOM 1013 C ASP A 68 -2.400 5.529 2.563 1.00 0.00 C ATOM 1014 O ASP A 68 -1.308 6.070 2.721 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.329 6.992 2.046 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.774 7.840 3.192 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.884 8.670 2.904 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.252 7.642 4.329 1.00 0.00 O ATOM 0 H ASP A 68 -4.897 4.586 1.383 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.789 6.467 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.672 7.658 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.203 6.449 2.406 1.00 0.00 H new ATOM 1023 N THR A 69 -2.859 4.533 3.307 1.00 0.00 N ATOM 1024 CA THR A 69 -2.071 3.993 4.403 1.00 0.00 C ATOM 1025 C THR A 69 -1.640 2.558 4.094 1.00 0.00 C ATOM 1026 O THR A 69 -2.204 1.913 3.210 1.00 0.00 O ATOM 1027 CB THR A 69 -2.900 4.116 5.684 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.242 3.917 5.251 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.897 5.538 6.249 1.00 0.00 C ATOM 0 H THR A 69 -3.766 4.086 3.173 1.00 0.00 H new ATOM 0 HA THR A 69 -1.146 4.554 4.540 1.00 0.00 H new ATOM 0 HB THR A 69 -2.512 3.427 6.434 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.649 4.783 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.499 5.570 7.157 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.874 5.835 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.315 6.223 5.512 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.618 2.088 4.858 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.105 0.742 4.674 1.00 0.00 C ATOM 1039 C PRO A 70 -1.065 -0.296 5.259 1.00 0.00 C ATOM 1040 O PRO A 70 -1.231 -1.378 4.700 1.00 0.00 O ATOM 1041 CB PRO A 70 1.255 0.744 5.354 1.00 0.00 C ATOM 1042 CG PRO A 70 1.252 1.942 6.289 1.00 0.00 C ATOM 1043 CD PRO A 70 0.073 2.823 5.912 1.00 0.00 C ATOM 0 HA PRO A 70 -0.010 0.468 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.417 -0.182 5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.058 0.823 4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.170 1.617 7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.186 2.497 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.580 2.997 6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.405 3.800 5.561 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.672 0.071 6.378 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.610 -0.814 7.045 1.00 0.00 C ATOM 1053 C ASN A 71 -3.827 -1.033 6.144 1.00 0.00 C ATOM 1054 O ASN A 71 -4.180 -2.170 5.834 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.100 -0.208 8.362 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.551 -0.985 9.561 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.298 -2.176 9.498 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.382 -0.244 10.652 1.00 0.00 N ATOM 0 H ASN A 71 -1.532 0.970 6.839 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.098 -1.754 7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.787 0.834 8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.190 -0.216 8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.020 -0.669 11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.614 0.749 10.635 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.437 0.075 5.748 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.607 0.019 4.889 1.00 0.00 C ATOM 1067 C LYS A 72 -5.310 -0.880 3.687 1.00 0.00 C ATOM 1068 O LYS A 72 -6.201 -1.562 3.182 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.057 1.430 4.504 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.206 1.903 5.397 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.131 3.411 5.635 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.508 4.060 5.483 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.465 3.477 6.450 1.00 0.00 N ATOM 0 H LYS A 72 -4.142 1.017 6.007 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.448 -0.426 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.217 2.119 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.374 1.443 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.159 1.652 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.169 1.378 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.742 3.606 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.434 3.860 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.430 5.135 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.875 3.915 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.313 4.076 6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.734 2.522 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.020 3.423 7.389 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.054 -0.853 3.264 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.629 -1.658 2.132 1.00 0.00 C ATOM 1089 C ILE A 73 -3.408 -3.101 2.592 1.00 0.00 C ATOM 1090 O ILE A 73 -3.974 -4.031 2.019 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.404 -1.032 1.460 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.780 0.256 0.726 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.712 -2.037 0.537 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.568 0.853 0.009 1.00 0.00 C ATOM 0 H ILE A 73 -3.318 -0.286 3.685 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.406 -1.682 1.368 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.688 -0.762 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.569 0.049 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.180 0.980 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.845 -1.567 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.389 -2.901 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.408 -2.360 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.863 1.768 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.790 1.081 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.186 0.136 -0.718 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.584 -3.242 3.619 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.281 -4.555 4.162 1.00 0.00 C ATOM 1108 C ILE A 74 -3.579 -5.349 4.318 1.00 0.00 C ATOM 1109 O ILE A 74 -3.587 -6.569 4.167 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.479 -4.427 5.458 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.025 -4.401 5.172 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.855 -5.533 6.446 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.802 -3.867 6.376 1.00 0.00 C ATOM 0 H ILE A 74 -2.116 -2.468 4.090 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.645 -5.114 3.475 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.734 -3.476 5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.370 -5.406 4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.223 -3.776 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.271 -5.419 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.917 -5.463 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.646 -6.506 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.868 -3.859 6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.472 -2.853 6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.621 -4.508 7.239 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.647 -4.623 4.619 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.949 -5.244 4.796 1.00 0.00 C ATOM 1127 C ALA A 75 -6.496 -5.670 3.433 1.00 0.00 C ATOM 1128 O ALA A 75 -7.063 -6.755 3.298 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.882 -4.274 5.522 1.00 0.00 C ATOM 0 H ALA A 75 -4.637 -3.611 4.745 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.867 -6.140 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.859 -4.739 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.462 -4.026 6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.991 -3.364 4.932 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.309 -4.795 2.456 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.778 -5.067 1.108 1.00 0.00 C ATOM 1137 C LYS A 76 -6.010 -6.261 0.537 1.00 0.00 C ATOM 1138 O LYS A 76 -6.461 -6.896 -0.416 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.686 -3.807 0.244 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.646 -3.886 -0.945 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.100 -3.771 -0.485 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.001 -3.306 -1.629 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.085 -4.286 -1.867 1.00 0.00 N ATOM 0 H LYS A 76 -5.839 -3.897 2.571 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.833 -5.341 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.920 -2.930 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.665 -3.682 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.421 -3.088 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.501 -4.829 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.445 -4.736 -0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.168 -3.068 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.429 -2.332 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.411 -3.180 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.688 -3.955 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.672 -5.207 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.658 -4.386 -1.005 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.863 -6.530 1.142 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.028 -7.637 0.706 1.00 0.00 C ATOM 1159 C VAL A 77 -4.489 -8.922 1.398 1.00 0.00 C ATOM 1160 O VAL A 77 -4.435 -10.000 0.811 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.554 -7.314 0.964 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.645 -8.376 0.344 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.200 -5.918 0.447 1.00 0.00 C ATOM 0 H VAL A 77 -4.492 -6.001 1.931 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.130 -7.792 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.392 -7.322 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.603 -8.123 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.872 -9.349 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.811 -8.414 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.147 -5.714 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.386 -5.869 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.815 -5.175 0.955 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.931 -8.763 2.637 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.401 -9.896 3.416 1.00 0.00 C ATOM 1175 C GLU A 78 -6.859 -10.209 3.071 1.00 0.00 C ATOM 1176 O GLU A 78 -7.334 -11.316 3.317 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.235 -9.638 4.915 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.759 -9.472 5.281 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.441 -10.175 6.603 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.287 -11.414 6.564 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.359 -9.457 7.622 1.00 0.00 O ATOM 0 H GLU A 78 -4.974 -7.866 3.121 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.793 -10.764 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.787 -8.741 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.663 -10.466 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.135 -9.882 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.517 -8.412 5.361 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.526 -9.214 2.506 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.920 -9.369 2.125 1.00 0.00 C ATOM 1190 C GLN A 79 -9.025 -9.794 0.659 1.00 0.00 C ATOM 1191 O GLN A 79 -10.076 -9.643 0.039 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.705 -8.081 2.379 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.068 -8.384 3.005 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.734 -7.105 3.516 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.532 -6.477 2.840 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.362 -6.755 4.744 1.00 0.00 N ATOM 0 H GLN A 79 -7.127 -8.297 2.303 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.360 -10.152 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.135 -7.428 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.843 -7.544 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.712 -8.864 2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.946 -9.088 3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.689 -7.326 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.750 -5.916 5.175 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.921 -10.317 0.146 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.876 -10.765 -1.235 1.00 0.00 C ATOM 1207 C ALA A 80 -7.462 -12.237 -1.276 1.00 0.00 C ATOM 1208 O ALA A 80 -8.046 -13.030 -2.013 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.924 -9.870 -2.031 1.00 0.00 C ATOM 0 H ALA A 80 -7.050 -10.440 0.663 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.861 -10.686 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.890 -10.206 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.278 -8.840 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.925 -9.926 -1.599 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.456 -12.559 -0.475 1.00 0.00 N ATOM 1216 CA GLN A 81 -5.958 -13.923 -0.411 1.00 0.00 C ATOM 1217 C GLN A 81 -7.121 -14.914 -0.420 1.00 0.00 C ATOM 1218 O GLN A 81 -6.999 -16.015 -0.955 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.074 -14.125 0.822 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.845 -13.214 0.773 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.184 -13.260 -0.607 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.279 -14.036 -0.865 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.687 -12.388 -1.478 1.00 0.00 N ATOM 0 H GLN A 81 -5.973 -11.899 0.135 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.344 -14.107 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.649 -13.917 1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.757 -15.166 0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.137 -12.190 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.128 -13.523 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.445 -11.766 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.314 -12.342 -2.426 1.00 0.00 H new