USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 431 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 27 SER OG : rot 98:sc= 1.23 USER MOD Set 1.2: A 33 SER OG : rot 33:sc= 0.0514 USER MOD Single : A 6 GLN : amide:sc= -4.15! C(o=-4.1!,f=-12!) USER MOD Single : A 7 GLN : amide:sc= -0.569 K(o=-0.57,f=-4.7!) USER MOD Single : A 8 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.2) USER MOD Single : A 13 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 26 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.7!) USER MOD Single : A 37 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.087) USER MOD Single : A 45 SER OG : rot -24:sc= 0.756 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.92) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.106 -10.642 12.822 1.00 0.00 N ATOM 2 CA GLN A 6 1.333 -9.411 12.691 1.00 0.00 C ATOM 3 C GLN A 6 2.168 -8.208 13.118 1.00 0.00 C ATOM 4 O GLN A 6 1.826 -7.064 12.814 1.00 0.00 O ATOM 5 CB GLN A 6 0.061 -9.493 13.544 1.00 0.00 C ATOM 6 CG GLN A 6 0.416 -9.402 15.032 1.00 0.00 C ATOM 7 CD GLN A 6 1.471 -10.444 15.384 1.00 0.00 C ATOM 8 OE1 GLN A 6 2.648 -10.112 15.533 1.00 0.00 O ATOM 9 NE2 GLN A 6 1.121 -11.693 15.528 1.00 0.00 N ATOM 0 HA GLN A 6 1.053 -9.289 11.645 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.619 -8.685 13.275 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.461 -10.429 13.343 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.788 -8.404 15.265 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.477 -9.559 15.637 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.146 -11.967 15.404 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.822 -12.395 15.764 1.00 0.00 H new ATOM 18 N GLN A 7 3.265 -8.474 13.821 1.00 0.00 N ATOM 19 CA GLN A 7 4.142 -7.404 14.282 1.00 0.00 C ATOM 20 C GLN A 7 4.346 -6.372 13.178 1.00 0.00 C ATOM 21 O GLN A 7 4.006 -5.200 13.341 1.00 0.00 O ATOM 22 CB GLN A 7 5.497 -7.990 14.702 1.00 0.00 C ATOM 23 CG GLN A 7 5.440 -8.433 16.166 1.00 0.00 C ATOM 24 CD GLN A 7 5.576 -7.222 17.085 1.00 0.00 C ATOM 25 OE1 GLN A 7 5.248 -6.103 16.691 1.00 0.00 O ATOM 26 NE2 GLN A 7 6.042 -7.381 18.294 1.00 0.00 N ATOM 0 H GLN A 7 3.566 -9.413 14.082 1.00 0.00 H new ATOM 0 HA GLN A 7 3.678 -6.914 15.138 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.750 -8.838 14.066 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.282 -7.246 14.568 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.498 -8.945 16.363 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.239 -9.146 16.370 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.313 -8.309 18.618 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.135 -6.577 18.915 1.00 0.00 H new ATOM 35 N GLN A 8 4.898 -6.813 12.054 1.00 0.00 N ATOM 36 CA GLN A 8 5.140 -5.915 10.932 1.00 0.00 C ATOM 37 C GLN A 8 3.909 -5.058 10.655 1.00 0.00 C ATOM 38 O GLN A 8 4.026 -3.889 10.287 1.00 0.00 O ATOM 39 CB GLN A 8 5.492 -6.725 9.682 1.00 0.00 C ATOM 40 CG GLN A 8 6.025 -5.786 8.598 1.00 0.00 C ATOM 41 CD GLN A 8 7.404 -5.266 8.990 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.411 -5.930 8.745 1.00 0.00 O ATOM 43 NE2 GLN A 8 7.510 -4.110 9.589 1.00 0.00 N ATOM 0 H GLN A 8 5.184 -7.779 11.896 1.00 0.00 H new ATOM 0 HA GLN A 8 5.973 -5.261 11.188 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.240 -7.480 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.611 -7.254 9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.083 -6.313 7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.338 -4.951 8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.674 -3.562 9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.429 -3.756 9.855 1.00 0.00 H new ATOM 52 N ALA A 9 2.731 -5.647 10.831 1.00 0.00 N ATOM 53 CA ALA A 9 1.483 -4.928 10.593 1.00 0.00 C ATOM 54 C ALA A 9 1.267 -3.849 11.650 1.00 0.00 C ATOM 55 O ALA A 9 1.293 -2.657 11.347 1.00 0.00 O ATOM 56 CB ALA A 9 0.306 -5.906 10.610 1.00 0.00 C ATOM 0 H ALA A 9 2.613 -6.613 11.135 1.00 0.00 H new ATOM 0 HA ALA A 9 1.546 -4.450 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.622 -5.362 10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.444 -6.654 9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.257 -6.399 11.581 1.00 0.00 H new ATOM 62 N VAL A 10 1.048 -4.272 12.891 1.00 0.00 N ATOM 63 CA VAL A 10 0.824 -3.324 13.978 1.00 0.00 C ATOM 64 C VAL A 10 1.997 -2.355 14.099 1.00 0.00 C ATOM 65 O VAL A 10 1.830 -1.215 14.531 1.00 0.00 O ATOM 66 CB VAL A 10 0.634 -4.077 15.298 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.783 -5.066 15.496 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.613 -3.080 16.461 1.00 0.00 C ATOM 0 H VAL A 10 1.021 -5.253 13.168 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.077 -2.752 13.756 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.311 -4.620 15.269 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.645 -5.600 16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.795 -5.779 14.672 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.729 -4.525 15.522 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.478 -3.618 17.399 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.556 -2.534 16.489 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.209 -2.378 16.324 1.00 0.00 H new ATOM 78 N LEU A 11 3.184 -2.814 13.716 1.00 0.00 N ATOM 79 CA LEU A 11 4.375 -1.975 13.789 1.00 0.00 C ATOM 80 C LEU A 11 4.308 -0.856 12.753 1.00 0.00 C ATOM 81 O LEU A 11 4.204 0.320 13.103 1.00 0.00 O ATOM 82 CB LEU A 11 5.632 -2.817 13.551 1.00 0.00 C ATOM 83 CG LEU A 11 5.956 -3.649 14.800 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.097 -4.617 14.476 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.382 -2.727 15.953 1.00 0.00 C ATOM 0 H LEU A 11 3.347 -3.754 13.355 1.00 0.00 H new ATOM 0 HA LEU A 11 4.420 -1.534 14.785 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.481 -3.475 12.695 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.473 -2.168 13.309 1.00 0.00 H new ATOM 0 HG LEU A 11 5.069 -4.206 15.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.332 -5.211 15.359 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.794 -5.278 13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.979 -4.052 14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.609 -3.327 16.834 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.267 -2.163 15.660 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.572 -2.036 16.184 1.00 0.00 H new ATOM 97 N GLU A 12 4.372 -1.227 11.477 1.00 0.00 N ATOM 98 CA GLU A 12 4.322 -0.237 10.404 1.00 0.00 C ATOM 99 C GLU A 12 3.041 0.589 10.495 1.00 0.00 C ATOM 100 O GLU A 12 3.032 1.774 10.162 1.00 0.00 O ATOM 101 CB GLU A 12 4.400 -0.932 9.041 1.00 0.00 C ATOM 102 CG GLU A 12 3.056 -1.589 8.715 1.00 0.00 C ATOM 103 CD GLU A 12 3.229 -2.591 7.577 1.00 0.00 C ATOM 104 OE1 GLU A 12 4.117 -2.388 6.765 1.00 0.00 O ATOM 105 OE2 GLU A 12 2.471 -3.546 7.536 1.00 0.00 O ATOM 0 H GLU A 12 4.458 -2.194 11.163 1.00 0.00 H new ATOM 0 HA GLU A 12 5.176 0.432 10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.658 -0.208 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.190 -1.683 9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.664 -2.093 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.328 -0.828 8.433 1.00 0.00 H new ATOM 112 N GLN A 13 1.965 -0.043 10.951 1.00 0.00 N ATOM 113 CA GLN A 13 0.687 0.648 11.083 1.00 0.00 C ATOM 114 C GLN A 13 0.774 1.726 12.158 1.00 0.00 C ATOM 115 O GLN A 13 0.344 2.861 11.947 1.00 0.00 O ATOM 116 CB GLN A 13 -0.415 -0.353 11.444 1.00 0.00 C ATOM 117 CG GLN A 13 -1.778 0.341 11.398 1.00 0.00 C ATOM 118 CD GLN A 13 -2.122 0.725 9.961 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.435 -0.141 9.144 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.081 1.979 9.604 1.00 0.00 N ATOM 0 H GLN A 13 1.951 -1.023 11.233 1.00 0.00 H new ATOM 0 HA GLN A 13 0.447 1.119 10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.400 -1.192 10.748 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.237 -0.761 12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.546 -0.321 11.800 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.763 1.231 12.027 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.821 2.694 10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.309 2.244 8.646 1.00 0.00 H new ATOM 129 N GLU A 14 1.334 1.366 13.308 1.00 0.00 N ATOM 130 CA GLU A 14 1.474 2.316 14.406 1.00 0.00 C ATOM 131 C GLU A 14 2.395 3.464 14.002 1.00 0.00 C ATOM 132 O GLU A 14 1.988 4.626 13.997 1.00 0.00 O ATOM 133 CB GLU A 14 2.040 1.608 15.641 1.00 0.00 C ATOM 134 CG GLU A 14 0.933 0.803 16.325 1.00 0.00 C ATOM 135 CD GLU A 14 0.018 1.736 17.109 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.334 2.021 18.253 1.00 0.00 O ATOM 137 OE2 GLU A 14 -0.987 2.152 16.555 1.00 0.00 O ATOM 0 H GLU A 14 1.695 0.432 13.503 1.00 0.00 H new ATOM 0 HA GLU A 14 0.490 2.721 14.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.857 0.948 15.351 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.453 2.340 16.335 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.356 0.256 15.579 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.371 0.063 16.994 1.00 0.00 H new ATOM 144 N ARG A 15 3.635 3.128 13.664 1.00 0.00 N ATOM 145 CA ARG A 15 4.604 4.139 13.258 1.00 0.00 C ATOM 146 C ARG A 15 3.998 5.064 12.208 1.00 0.00 C ATOM 147 O ARG A 15 4.046 6.287 12.342 1.00 0.00 O ATOM 148 CB ARG A 15 5.857 3.465 12.690 1.00 0.00 C ATOM 149 CG ARG A 15 6.729 2.930 13.836 1.00 0.00 C ATOM 150 CD ARG A 15 7.793 3.968 14.208 1.00 0.00 C ATOM 151 NE ARG A 15 7.160 5.220 14.609 1.00 0.00 N ATOM 152 CZ ARG A 15 6.716 5.401 15.849 1.00 0.00 C ATOM 153 NH1 ARG A 15 6.843 4.449 16.733 1.00 0.00 N ATOM 154 NH2 ARG A 15 6.154 6.530 16.182 1.00 0.00 N ATOM 0 H ARG A 15 3.991 2.172 13.663 1.00 0.00 H new ATOM 0 HA ARG A 15 4.877 4.729 14.133 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.572 2.648 12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.425 4.178 12.092 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.108 2.706 14.703 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.207 1.997 13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.412 3.589 15.021 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.454 4.142 13.359 1.00 0.00 H new ATOM 0 HE ARG A 15 7.056 5.970 13.926 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.283 3.566 16.472 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.502 4.588 17.684 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.055 7.274 15.491 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.813 6.669 17.133 1.00 0.00 H new ATOM 168 N ARG A 16 3.424 4.472 11.166 1.00 0.00 N ATOM 169 CA ARG A 16 2.809 5.254 10.100 1.00 0.00 C ATOM 170 C ARG A 16 1.715 6.155 10.664 1.00 0.00 C ATOM 171 O ARG A 16 1.719 7.366 10.442 1.00 0.00 O ATOM 172 CB ARG A 16 2.211 4.320 9.045 1.00 0.00 C ATOM 173 CG ARG A 16 1.689 5.146 7.866 1.00 0.00 C ATOM 174 CD ARG A 16 1.437 4.225 6.671 1.00 0.00 C ATOM 175 NE ARG A 16 0.986 5.003 5.522 1.00 0.00 N ATOM 176 CZ ARG A 16 -0.283 5.385 5.407 1.00 0.00 C ATOM 177 NH1 ARG A 16 -1.148 5.065 6.331 1.00 0.00 N ATOM 178 NH2 ARG A 16 -0.663 6.079 4.370 1.00 0.00 N ATOM 0 H ARG A 16 3.372 3.462 11.037 1.00 0.00 H new ATOM 0 HA ARG A 16 3.577 5.876 9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.966 3.613 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.400 3.735 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.768 5.657 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.412 5.916 7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.350 3.686 6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.687 3.478 6.930 1.00 0.00 H new ATOM 0 HE ARG A 16 1.655 5.258 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.851 4.522 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.121 5.358 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.013 6.328 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.636 6.372 4.281 1.00 0.00 H new ATOM 192 N ASP A 17 0.781 5.557 11.396 1.00 0.00 N ATOM 193 CA ASP A 17 -0.314 6.315 11.988 1.00 0.00 C ATOM 194 C ASP A 17 0.206 7.597 12.629 1.00 0.00 C ATOM 195 O ASP A 17 -0.291 8.689 12.348 1.00 0.00 O ATOM 196 CB ASP A 17 -1.024 5.467 13.045 1.00 0.00 C ATOM 197 CG ASP A 17 -2.206 6.237 13.624 1.00 0.00 C ATOM 198 OD1 ASP A 17 -3.238 6.278 12.973 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.062 6.775 14.710 1.00 0.00 O ATOM 0 H ASP A 17 0.760 4.556 11.592 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.018 6.577 11.198 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.370 4.533 12.602 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.327 5.203 13.840 1.00 0.00 H new ATOM 204 N ARG A 18 1.209 7.459 13.490 1.00 0.00 N ATOM 205 CA ARG A 18 1.789 8.615 14.165 1.00 0.00 C ATOM 206 C ARG A 18 2.355 9.601 13.148 1.00 0.00 C ATOM 207 O ARG A 18 2.022 10.787 13.166 1.00 0.00 O ATOM 208 CB ARG A 18 2.901 8.164 15.114 1.00 0.00 C ATOM 209 CG ARG A 18 2.337 7.168 16.133 1.00 0.00 C ATOM 210 CD ARG A 18 1.286 7.857 17.010 1.00 0.00 C ATOM 211 NE ARG A 18 1.193 7.190 18.303 1.00 0.00 N ATOM 212 CZ ARG A 18 0.619 7.785 19.344 1.00 0.00 C ATOM 213 NH1 ARG A 18 0.128 8.987 19.218 1.00 0.00 N ATOM 214 NH2 ARG A 18 0.546 7.166 20.490 1.00 0.00 N ATOM 0 H ARG A 18 1.635 6.565 13.736 1.00 0.00 H new ATOM 0 HA ARG A 18 1.003 9.110 14.736 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.710 7.702 14.548 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.325 9.026 15.629 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.891 6.318 15.616 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.142 6.776 16.755 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.550 8.905 17.151 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.317 7.837 16.512 1.00 0.00 H new ATOM 0 HE ARG A 18 1.575 6.250 18.411 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.185 9.470 18.321 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.313 9.444 20.016 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.929 6.226 20.587 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.106 7.622 21.289 1.00 0.00 H new ATOM 228 N GLU A 19 3.211 9.105 12.260 1.00 0.00 N ATOM 229 CA GLU A 19 3.817 9.953 11.240 1.00 0.00 C ATOM 230 C GLU A 19 2.764 10.850 10.594 1.00 0.00 C ATOM 231 O GLU A 19 2.807 12.072 10.732 1.00 0.00 O ATOM 232 CB GLU A 19 4.484 9.089 10.168 1.00 0.00 C ATOM 233 CG GLU A 19 5.785 8.502 10.721 1.00 0.00 C ATOM 234 CD GLU A 19 6.429 7.590 9.681 1.00 0.00 C ATOM 235 OE1 GLU A 19 5.734 6.733 9.162 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.608 7.764 9.420 1.00 0.00 O ATOM 0 H GLU A 19 3.499 8.127 12.226 1.00 0.00 H new ATOM 0 HA GLU A 19 4.569 10.581 11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.812 8.287 9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.691 9.687 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.472 9.305 10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.582 7.941 11.633 1.00 0.00 H new ATOM 243 N LEU A 20 1.820 10.234 9.889 1.00 0.00 N ATOM 244 CA LEU A 20 0.761 10.989 9.230 1.00 0.00 C ATOM 245 C LEU A 20 0.085 11.933 10.220 1.00 0.00 C ATOM 246 O LEU A 20 0.133 13.153 10.062 1.00 0.00 O ATOM 247 CB LEU A 20 -0.278 10.030 8.639 1.00 0.00 C ATOM 248 CG LEU A 20 0.208 9.514 7.282 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.610 8.919 7.430 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.751 8.433 6.776 1.00 0.00 C ATOM 0 H LEU A 20 1.767 9.224 9.760 1.00 0.00 H new ATOM 0 HA LEU A 20 1.204 11.578 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.443 9.194 9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.234 10.541 8.523 1.00 0.00 H new ATOM 0 HG LEU A 20 0.238 10.340 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.954 8.552 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.295 9.686 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.582 8.094 8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.407 8.064 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.780 7.609 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.750 8.855 6.668 1.00 0.00 H new ATOM 262 N ALA A 21 -0.544 11.360 11.242 1.00 0.00 N ATOM 263 CA ALA A 21 -1.225 12.162 12.253 1.00 0.00 C ATOM 264 C ALA A 21 -0.388 13.381 12.628 1.00 0.00 C ATOM 265 O ALA A 21 -0.914 14.482 12.793 1.00 0.00 O ATOM 266 CB ALA A 21 -1.483 11.316 13.502 1.00 0.00 C ATOM 0 H ALA A 21 -0.596 10.352 11.392 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.174 12.502 11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.992 11.921 14.253 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.108 10.462 13.240 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.534 10.962 13.904 1.00 0.00 H new ATOM 272 N LEU A 22 0.918 13.175 12.758 1.00 0.00 N ATOM 273 CA LEU A 22 1.821 14.265 13.112 1.00 0.00 C ATOM 274 C LEU A 22 1.904 15.281 11.977 1.00 0.00 C ATOM 275 O LEU A 22 1.918 16.489 12.212 1.00 0.00 O ATOM 276 CB LEU A 22 3.218 13.711 13.410 1.00 0.00 C ATOM 277 CG LEU A 22 4.042 14.757 14.174 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.798 14.611 15.680 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.531 14.550 13.881 1.00 0.00 C ATOM 0 H LEU A 22 1.373 12.272 12.625 1.00 0.00 H new ATOM 0 HA LEU A 22 1.431 14.762 14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.138 12.797 13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.721 13.448 12.479 1.00 0.00 H new ATOM 0 HG LEU A 22 3.740 15.754 13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.385 15.356 16.218 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.740 14.760 15.893 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.096 13.613 16.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.115 15.293 14.424 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.829 13.551 14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.710 14.659 12.811 1.00 0.00 H new ATOM 291 N ARG A 23 1.959 14.783 10.746 1.00 0.00 N ATOM 292 CA ARG A 23 2.040 15.658 9.583 1.00 0.00 C ATOM 293 C ARG A 23 0.794 16.534 9.486 1.00 0.00 C ATOM 294 O ARG A 23 0.888 17.741 9.265 1.00 0.00 O ATOM 295 CB ARG A 23 2.183 14.823 8.308 1.00 0.00 C ATOM 296 CG ARG A 23 3.611 14.282 8.208 1.00 0.00 C ATOM 297 CD ARG A 23 3.732 13.388 6.973 1.00 0.00 C ATOM 298 NE ARG A 23 3.359 14.129 5.773 1.00 0.00 N ATOM 299 CZ ARG A 23 3.476 13.587 4.566 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.930 12.369 4.439 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.136 14.270 3.507 1.00 0.00 N ATOM 0 H ARG A 23 1.949 13.786 10.529 1.00 0.00 H new ATOM 0 HA ARG A 23 2.914 16.300 9.694 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.471 13.998 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.952 15.432 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.320 15.107 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.861 13.716 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.754 13.022 6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.090 12.514 7.084 1.00 0.00 H new ATOM 0 HE ARG A 23 3.002 15.080 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.194 11.834 5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.020 11.952 3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.780 15.221 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.226 13.853 2.581 1.00 0.00 H new ATOM 315 N ILE A 24 -0.371 15.916 9.656 1.00 0.00 N ATOM 316 CA ILE A 24 -1.628 16.651 9.586 1.00 0.00 C ATOM 317 C ILE A 24 -1.717 17.664 10.724 1.00 0.00 C ATOM 318 O ILE A 24 -2.152 18.798 10.526 1.00 0.00 O ATOM 319 CB ILE A 24 -2.807 15.681 9.668 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.608 14.551 8.655 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.105 16.426 9.350 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.788 13.580 8.733 1.00 0.00 C ATOM 0 H ILE A 24 -0.470 14.918 9.841 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.665 17.184 8.636 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.864 15.264 10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.527 14.961 7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.676 14.024 8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.945 15.734 9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.248 17.232 10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.048 16.843 8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.646 12.776 8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.848 13.160 9.737 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.712 14.112 8.506 1.00 0.00 H new ATOM 334 N ALA A 25 -1.301 17.246 11.915 1.00 0.00 N ATOM 335 CA ALA A 25 -1.337 18.127 13.077 1.00 0.00 C ATOM 336 C ALA A 25 -0.349 19.276 12.908 1.00 0.00 C ATOM 337 O ALA A 25 -0.681 20.436 13.150 1.00 0.00 O ATOM 338 CB ALA A 25 -0.994 17.338 14.342 1.00 0.00 C ATOM 0 H ALA A 25 -0.938 16.311 12.100 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.343 18.538 13.167 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.023 18.003 15.205 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.719 16.535 14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.005 16.912 14.246 1.00 0.00 H new ATOM 344 N GLN A 26 0.867 18.945 12.486 1.00 0.00 N ATOM 345 CA GLN A 26 1.893 19.959 12.285 1.00 0.00 C ATOM 346 C GLN A 26 1.551 20.828 11.079 1.00 0.00 C ATOM 347 O GLN A 26 1.823 22.028 11.069 1.00 0.00 O ATOM 348 CB GLN A 26 3.254 19.293 12.067 1.00 0.00 C ATOM 349 CG GLN A 26 3.700 18.608 13.360 1.00 0.00 C ATOM 350 CD GLN A 26 4.063 19.655 14.407 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.445 20.773 14.061 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.965 19.358 15.674 1.00 0.00 N ATOM 0 H GLN A 26 1.163 17.991 12.278 1.00 0.00 H new ATOM 0 HA GLN A 26 1.937 20.587 13.175 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.188 18.563 11.260 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.991 20.037 11.764 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.902 17.968 13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.558 17.966 13.163 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.648 18.431 15.957 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.205 20.053 16.381 1.00 0.00 H new ATOM 361 N SER A 27 0.949 20.214 10.066 1.00 0.00 N ATOM 362 CA SER A 27 0.572 20.941 8.860 1.00 0.00 C ATOM 363 C SER A 27 -0.604 21.871 9.140 1.00 0.00 C ATOM 364 O SER A 27 -0.513 23.080 8.928 1.00 0.00 O ATOM 365 CB SER A 27 0.194 19.956 7.754 1.00 0.00 C ATOM 366 OG SER A 27 1.355 19.252 7.335 1.00 0.00 O ATOM 0 H SER A 27 0.713 19.222 10.056 1.00 0.00 H new ATOM 0 HA SER A 27 1.424 21.539 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.559 19.256 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.246 20.489 6.911 1.00 0.00 H new ATOM 0 HG SER A 27 1.388 18.381 7.782 1.00 0.00 H new ATOM 372 N GLU A 28 -1.707 21.302 9.616 1.00 0.00 N ATOM 373 CA GLU A 28 -2.890 22.098 9.919 1.00 0.00 C ATOM 374 C GLU A 28 -2.556 23.166 10.956 1.00 0.00 C ATOM 375 O GLU A 28 -3.052 24.290 10.887 1.00 0.00 O ATOM 376 CB GLU A 28 -4.017 21.197 10.438 1.00 0.00 C ATOM 377 CG GLU A 28 -3.705 20.735 11.866 1.00 0.00 C ATOM 378 CD GLU A 28 -4.165 21.788 12.871 1.00 0.00 C ATOM 379 OE1 GLU A 28 -5.265 22.290 12.711 1.00 0.00 O ATOM 380 OE2 GLU A 28 -3.410 22.073 13.787 1.00 0.00 O ATOM 0 H GLU A 28 -1.806 20.303 9.799 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.224 22.588 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.963 21.738 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.132 20.332 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.204 19.787 12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.634 20.561 11.974 1.00 0.00 H new ATOM 387 N ALA A 29 -1.706 22.806 11.913 1.00 0.00 N ATOM 388 CA ALA A 29 -1.306 23.746 12.954 1.00 0.00 C ATOM 389 C ALA A 29 -0.429 24.845 12.363 1.00 0.00 C ATOM 390 O ALA A 29 -0.542 26.012 12.739 1.00 0.00 O ATOM 391 CB ALA A 29 -0.536 23.012 14.055 1.00 0.00 C ATOM 0 H ALA A 29 -1.285 21.880 11.989 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.203 24.196 13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.241 23.722 14.828 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.172 22.242 14.492 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.354 22.549 13.629 1.00 0.00 H new ATOM 397 N GLU A 30 0.441 24.462 11.434 1.00 0.00 N ATOM 398 CA GLU A 30 1.331 25.423 10.791 1.00 0.00 C ATOM 399 C GLU A 30 0.585 26.199 9.711 1.00 0.00 C ATOM 400 O GLU A 30 0.956 27.322 9.370 1.00 0.00 O ATOM 401 CB GLU A 30 2.522 24.691 10.168 1.00 0.00 C ATOM 402 CG GLU A 30 3.478 24.232 11.273 1.00 0.00 C ATOM 403 CD GLU A 30 4.315 25.410 11.764 1.00 0.00 C ATOM 404 OE1 GLU A 30 4.140 26.496 11.236 1.00 0.00 O ATOM 405 OE2 GLU A 30 5.117 25.209 12.661 1.00 0.00 O ATOM 0 H GLU A 30 0.549 23.500 11.111 1.00 0.00 H new ATOM 0 HA GLU A 30 1.690 26.124 11.544 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.174 23.832 9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.043 25.349 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.911 23.808 12.102 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.130 23.444 10.896 1.00 0.00 H new ATOM 412 N LEU A 31 -0.471 25.591 9.179 1.00 0.00 N ATOM 413 CA LEU A 31 -1.270 26.231 8.139 1.00 0.00 C ATOM 414 C LEU A 31 -0.408 26.558 6.922 1.00 0.00 C ATOM 415 O LEU A 31 -0.712 27.481 6.166 1.00 0.00 O ATOM 416 CB LEU A 31 -1.903 27.517 8.685 1.00 0.00 C ATOM 417 CG LEU A 31 -3.152 27.874 7.865 1.00 0.00 C ATOM 418 CD1 LEU A 31 -4.375 27.155 8.444 1.00 0.00 C ATOM 419 CD2 LEU A 31 -3.384 29.386 7.918 1.00 0.00 C ATOM 0 H LEU A 31 -0.792 24.661 9.449 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.056 25.541 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.171 27.384 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.183 28.334 8.641 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.003 27.561 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.258 27.411 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.215 26.077 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.523 27.464 9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.270 29.639 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.529 29.696 8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.518 29.902 7.503 1.00 0.00 H new ATOM 450 N SER A 33 0.542 23.989 4.735 1.00 0.00 N ATOM 451 CA SER A 33 0.108 23.062 3.695 1.00 0.00 C ATOM 452 C SER A 33 -1.180 23.555 3.046 1.00 0.00 C ATOM 453 O SER A 33 -2.179 22.835 3.001 1.00 0.00 O ATOM 454 CB SER A 33 -0.118 21.675 4.295 1.00 0.00 C ATOM 455 OG SER A 33 1.049 21.272 5.000 1.00 0.00 O ATOM 0 HA SER A 33 0.887 23.005 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.975 21.693 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.346 20.958 3.507 1.00 0.00 H new ATOM 0 HG SER A 33 1.484 22.059 5.389 1.00 0.00 H new ATOM 461 N ASP A 34 -1.151 24.785 2.544 1.00 0.00 N ATOM 462 CA ASP A 34 -2.323 25.365 1.899 1.00 0.00 C ATOM 463 C ASP A 34 -2.572 24.707 0.545 1.00 0.00 C ATOM 464 O ASP A 34 -3.671 24.787 -0.003 1.00 0.00 O ATOM 465 CB ASP A 34 -2.123 26.869 1.709 1.00 0.00 C ATOM 466 CG ASP A 34 -2.013 27.556 3.066 1.00 0.00 C ATOM 467 OD1 ASP A 34 -1.443 26.959 3.965 1.00 0.00 O ATOM 468 OD2 ASP A 34 -2.501 28.667 3.187 1.00 0.00 O ATOM 0 H ASP A 34 -0.335 25.396 2.571 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.189 25.191 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.222 27.053 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.958 27.287 1.147 1.00 0.00 H new ATOM 473 N GLU A 35 -1.543 24.057 0.010 1.00 0.00 N ATOM 474 CA GLU A 35 -1.662 23.389 -1.281 1.00 0.00 C ATOM 475 C GLU A 35 -2.717 22.289 -1.220 1.00 0.00 C ATOM 476 O GLU A 35 -3.474 22.089 -2.170 1.00 0.00 O ATOM 477 CB GLU A 35 -0.312 22.790 -1.687 1.00 0.00 C ATOM 478 CG GLU A 35 0.076 21.675 -0.708 1.00 0.00 C ATOM 479 CD GLU A 35 -0.605 20.364 -1.095 1.00 0.00 C ATOM 480 OE1 GLU A 35 -1.242 20.333 -2.135 1.00 0.00 O ATOM 481 OE2 GLU A 35 -0.478 19.411 -0.345 1.00 0.00 O ATOM 0 H GLU A 35 -0.624 23.979 0.446 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.967 24.126 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.370 22.393 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.454 23.566 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.158 21.543 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.211 21.956 0.305 1.00 0.00 H new ATOM 488 N ALA A 36 -2.762 21.581 -0.096 1.00 0.00 N ATOM 489 CA ALA A 36 -3.731 20.505 0.078 1.00 0.00 C ATOM 490 C ALA A 36 -5.151 21.059 0.066 1.00 0.00 C ATOM 491 O ALA A 36 -6.013 20.568 -0.663 1.00 0.00 O ATOM 492 CB ALA A 36 -3.475 19.781 1.401 1.00 0.00 C ATOM 0 H ALA A 36 -2.144 21.731 0.702 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.619 19.802 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.203 18.979 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.469 19.361 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.570 20.487 2.226 1.00 0.00 H new ATOM 498 N GLN A 37 -5.387 22.086 0.876 1.00 0.00 N ATOM 499 CA GLN A 37 -6.708 22.700 0.949 1.00 0.00 C ATOM 500 C GLN A 37 -7.153 23.171 -0.432 1.00 0.00 C ATOM 501 O GLN A 37 -8.268 22.886 -0.866 1.00 0.00 O ATOM 502 CB GLN A 37 -6.678 23.889 1.912 1.00 0.00 C ATOM 503 CG GLN A 37 -5.988 23.477 3.213 1.00 0.00 C ATOM 504 CD GLN A 37 -6.669 22.245 3.800 1.00 0.00 C ATOM 505 OE1 GLN A 37 -7.887 22.235 3.978 1.00 0.00 O ATOM 506 NE2 GLN A 37 -5.952 21.199 4.110 1.00 0.00 N ATOM 0 H GLN A 37 -4.687 22.508 1.486 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.417 21.956 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.148 24.726 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.693 24.229 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.936 23.265 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.024 24.298 3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.943 21.210 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.401 20.371 4.501 1.00 0.00 H new ATOM 515 N ALA A 38 -6.272 23.893 -1.117 1.00 0.00 N ATOM 516 CA ALA A 38 -6.584 24.396 -2.450 1.00 0.00 C ATOM 517 C ALA A 38 -6.977 23.248 -3.374 1.00 0.00 C ATOM 518 O ALA A 38 -7.992 23.316 -4.068 1.00 0.00 O ATOM 519 CB ALA A 38 -5.373 25.129 -3.028 1.00 0.00 C ATOM 0 H ALA A 38 -5.344 24.141 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.422 25.088 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.614 25.501 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.111 25.966 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.529 24.443 -3.092 1.00 0.00 H new ATOM 525 N ASP A 39 -6.167 22.195 -3.378 1.00 0.00 N ATOM 526 CA ASP A 39 -6.441 21.037 -4.220 1.00 0.00 C ATOM 527 C ASP A 39 -7.807 20.446 -3.889 1.00 0.00 C ATOM 528 O ASP A 39 -8.746 20.546 -4.680 1.00 0.00 O ATOM 529 CB ASP A 39 -5.360 19.974 -4.015 1.00 0.00 C ATOM 530 CG ASP A 39 -5.662 18.750 -4.875 1.00 0.00 C ATOM 531 OD1 ASP A 39 -5.345 18.784 -6.052 1.00 0.00 O ATOM 532 OD2 ASP A 39 -6.207 17.797 -4.342 1.00 0.00 O ATOM 0 H ASP A 39 -5.322 22.119 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.439 21.360 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.384 20.381 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.314 19.688 -2.964 1.00 0.00 H new ATOM 537 N LEU A 40 -7.912 19.831 -2.715 1.00 0.00 N ATOM 538 CA LEU A 40 -9.171 19.229 -2.289 1.00 0.00 C ATOM 539 C LEU A 40 -10.338 20.170 -2.567 1.00 0.00 C ATOM 540 O LEU A 40 -11.431 19.731 -2.923 1.00 0.00 O ATOM 541 CB LEU A 40 -9.117 18.911 -0.792 1.00 0.00 C ATOM 542 CG LEU A 40 -7.925 17.995 -0.498 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.637 18.001 1.005 1.00 0.00 C ATOM 544 CD2 LEU A 40 -8.244 16.565 -0.948 1.00 0.00 C ATOM 0 H LEU A 40 -7.147 19.737 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.320 18.308 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.029 19.833 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.043 18.429 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.052 18.357 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.789 17.349 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.404 19.016 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.513 17.642 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.392 15.918 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.119 16.201 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.448 16.557 -2.019 1.00 0.00 H new ATOM 556 N ALA A 41 -10.097 21.467 -2.402 1.00 0.00 N ATOM 557 CA ALA A 41 -11.136 22.462 -2.638 1.00 0.00 C ATOM 558 C ALA A 41 -11.496 22.521 -4.118 1.00 0.00 C ATOM 559 O ALA A 41 -12.661 22.698 -4.478 1.00 0.00 O ATOM 560 CB ALA A 41 -10.657 23.838 -2.172 1.00 0.00 C ATOM 0 H ALA A 41 -9.199 21.851 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.022 22.175 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.439 24.576 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.430 23.803 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.760 24.118 -2.725 1.00 0.00 H new ATOM 566 N LEU A 42 -10.490 22.373 -4.975 1.00 0.00 N ATOM 567 CA LEU A 42 -10.714 22.412 -6.414 1.00 0.00 C ATOM 568 C LEU A 42 -11.487 21.178 -6.870 1.00 0.00 C ATOM 569 O LEU A 42 -12.414 21.275 -7.674 1.00 0.00 O ATOM 570 CB LEU A 42 -9.372 22.481 -7.152 1.00 0.00 C ATOM 571 CG LEU A 42 -8.795 23.900 -7.051 1.00 0.00 C ATOM 572 CD1 LEU A 42 -7.267 23.842 -7.139 1.00 0.00 C ATOM 573 CD2 LEU A 42 -9.332 24.759 -8.202 1.00 0.00 C ATOM 0 H LEU A 42 -9.519 22.226 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.301 23.300 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.673 21.763 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.508 22.207 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.091 24.338 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.860 24.851 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.878 23.235 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.974 23.399 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.921 25.766 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.038 24.317 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.419 24.806 -8.144 1.00 0.00 H new ATOM 585 N ARG A 43 -11.098 20.019 -6.350 1.00 0.00 N ATOM 586 CA ARG A 43 -11.762 18.771 -6.710 1.00 0.00 C ATOM 587 C ARG A 43 -13.133 18.684 -6.046 1.00 0.00 C ATOM 588 O ARG A 43 -14.039 18.027 -6.557 1.00 0.00 O ATOM 589 CB ARG A 43 -10.905 17.579 -6.279 1.00 0.00 C ATOM 590 CG ARG A 43 -9.435 17.862 -6.600 1.00 0.00 C ATOM 591 CD ARG A 43 -8.646 16.551 -6.584 1.00 0.00 C ATOM 592 NE ARG A 43 -8.933 15.774 -7.785 1.00 0.00 N ATOM 593 CZ ARG A 43 -8.477 14.535 -7.927 1.00 0.00 C ATOM 594 NH1 ARG A 43 -7.759 13.991 -6.983 1.00 0.00 N ATOM 595 NH2 ARG A 43 -8.747 13.860 -9.012 1.00 0.00 N ATOM 0 H ARG A 43 -10.333 19.917 -5.683 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.893 18.749 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.026 17.398 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.233 16.677 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.350 18.337 -7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.020 18.557 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.578 16.762 -6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.906 15.973 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.494 16.190 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.548 14.518 -6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.409 13.039 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.308 14.285 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.397 12.908 -9.121 1.00 0.00 H new ATOM 609 N ARG A 44 -13.275 19.351 -4.907 1.00 0.00 N ATOM 610 CA ARG A 44 -14.537 19.344 -4.182 1.00 0.00 C ATOM 611 C ARG A 44 -15.530 20.302 -4.836 1.00 0.00 C ATOM 612 O ARG A 44 -16.742 20.099 -4.762 1.00 0.00 O ATOM 613 CB ARG A 44 -14.293 19.754 -2.725 1.00 0.00 C ATOM 614 CG ARG A 44 -15.616 20.158 -2.072 1.00 0.00 C ATOM 615 CD ARG A 44 -15.463 20.144 -0.550 1.00 0.00 C ATOM 616 NE ARG A 44 -16.594 20.818 0.077 1.00 0.00 N ATOM 617 CZ ARG A 44 -16.656 22.144 0.140 1.00 0.00 C ATOM 618 NH1 ARG A 44 -15.694 22.866 -0.366 1.00 0.00 N ATOM 619 NH2 ARG A 44 -17.678 22.723 0.707 1.00 0.00 N ATOM 0 H ARG A 44 -12.536 19.900 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.957 18.339 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.843 18.927 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.588 20.585 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.911 21.152 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.407 19.472 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.400 19.116 -0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.534 20.638 -0.266 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.351 20.262 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.895 22.413 -0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.741 23.884 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.430 22.158 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.725 23.741 0.755 1.00 0.00 H new ATOM 633 N SER A 45 -15.007 21.343 -5.477 1.00 0.00 N ATOM 634 CA SER A 45 -15.857 22.324 -6.141 1.00 0.00 C ATOM 635 C SER A 45 -16.320 21.801 -7.497 1.00 0.00 C ATOM 636 O SER A 45 -16.009 22.382 -8.536 1.00 0.00 O ATOM 637 CB SER A 45 -15.092 23.633 -6.331 1.00 0.00 C ATOM 638 OG SER A 45 -14.008 23.418 -7.225 1.00 0.00 O ATOM 0 H SER A 45 -14.007 21.528 -5.550 1.00 0.00 H new ATOM 0 HA SER A 45 -16.732 22.502 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.756 24.402 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.721 23.993 -5.372 1.00 0.00 H new ATOM 0 HG SER A 45 -13.757 22.471 -7.213 1.00 0.00 H new ATOM 644 N LEU A 46 -17.063 20.699 -7.477 1.00 0.00 N ATOM 645 CA LEU A 46 -17.563 20.105 -8.712 1.00 0.00 C ATOM 646 C LEU A 46 -18.223 21.164 -9.588 1.00 0.00 C ATOM 647 O LEU A 46 -18.241 21.046 -10.814 1.00 0.00 O ATOM 648 CB LEU A 46 -18.579 19.005 -8.388 1.00 0.00 C ATOM 649 CG LEU A 46 -18.819 18.136 -9.630 1.00 0.00 C ATOM 650 CD1 LEU A 46 -17.796 16.997 -9.674 1.00 0.00 C ATOM 651 CD2 LEU A 46 -20.229 17.541 -9.574 1.00 0.00 C ATOM 0 H LEU A 46 -17.330 20.203 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.720 19.675 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.212 18.389 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -19.518 19.450 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 46 -18.714 18.754 -10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -17.972 16.384 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -16.790 17.413 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -17.898 16.382 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -20.399 16.924 -10.456 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -20.330 16.929 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -20.963 18.346 -9.548 1.00 0.00 H new ATOM 663 N ASP A 47 -18.765 22.198 -8.954 1.00 0.00 N ATOM 664 CA ASP A 47 -19.424 23.273 -9.688 1.00 0.00 C ATOM 665 C ASP A 47 -18.393 24.187 -10.342 1.00 0.00 C ATOM 666 O ASP A 47 -18.688 25.339 -10.664 1.00 0.00 O ATOM 667 CB ASP A 47 -20.304 24.089 -8.739 1.00 0.00 C ATOM 668 CG ASP A 47 -21.217 23.160 -7.947 1.00 0.00 C ATOM 669 OD1 ASP A 47 -21.544 22.102 -8.459 1.00 0.00 O ATOM 670 OD2 ASP A 47 -21.577 23.521 -6.838 1.00 0.00 O ATOM 0 H ASP A 47 -18.762 22.315 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.044 22.829 -10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.680 24.667 -8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -20.901 24.802 -9.307 1.00 0.00 H new ATOM 675 N SER A 48 -17.186 23.668 -10.537 1.00 0.00 N ATOM 676 CA SER A 48 -16.121 24.448 -11.154 1.00 0.00 C ATOM 677 C SER A 48 -16.637 25.178 -12.391 1.00 0.00 C ATOM 678 O SER A 48 -16.256 26.318 -12.655 1.00 0.00 O ATOM 679 CB SER A 48 -14.963 23.531 -11.549 1.00 0.00 C ATOM 680 OG SER A 48 -13.845 24.323 -11.931 1.00 0.00 O ATOM 0 H SER A 48 -16.922 22.717 -10.279 1.00 0.00 H new ATOM 0 HA SER A 48 -15.772 25.184 -10.430 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.696 22.883 -10.714 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.262 22.883 -12.372 1.00 0.00 H new ATOM 0 HG SER A 48 -13.100 23.738 -12.183 1.00 0.00 H new ATOM 894 N THR A 62 -42.262 39.486 -17.093 1.00 0.00 N ATOM 895 CA THR A 62 -43.428 39.151 -17.902 1.00 0.00 C ATOM 896 C THR A 62 -44.677 39.069 -17.023 1.00 0.00 C ATOM 897 O THR A 62 -44.591 38.703 -15.851 1.00 0.00 O ATOM 898 CB THR A 62 -43.205 37.809 -18.604 1.00 0.00 C ATOM 899 OG1 THR A 62 -43.602 36.754 -17.740 1.00 0.00 O ATOM 900 CG2 THR A 62 -41.725 37.654 -18.954 1.00 0.00 C ATOM 0 HA THR A 62 -43.571 39.931 -18.649 1.00 0.00 H new ATOM 0 HB THR A 62 -43.797 37.774 -19.518 1.00 0.00 H new ATOM 0 HG1 THR A 62 -43.461 35.894 -18.188 1.00 0.00 H new ATOM 0 HG21 THR A 62 -41.567 36.698 -19.454 1.00 0.00 H new ATOM 0 HG22 THR A 62 -41.421 38.464 -19.617 1.00 0.00 H new ATOM 0 HG23 THR A 62 -41.130 37.689 -18.042 1.00 0.00 H new ATOM 908 N PRO A 63 -45.827 39.396 -17.558 1.00 0.00 N ATOM 909 CA PRO A 63 -47.105 39.351 -16.798 1.00 0.00 C ATOM 910 C PRO A 63 -47.165 38.159 -15.846 1.00 0.00 C ATOM 911 O PRO A 63 -47.659 38.273 -14.723 1.00 0.00 O ATOM 912 CB PRO A 63 -48.158 39.233 -17.899 1.00 0.00 C ATOM 913 CG PRO A 63 -47.570 39.939 -19.081 1.00 0.00 C ATOM 914 CD PRO A 63 -46.042 39.845 -18.945 1.00 0.00 C ATOM 0 HA PRO A 63 -47.243 40.223 -16.158 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -48.371 38.189 -18.130 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -49.099 39.691 -17.595 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -47.904 39.478 -20.011 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -47.892 40.980 -19.108 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -45.622 39.139 -19.661 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -45.566 40.808 -19.130 1.00 0.00 H new ATOM 922 N GLU A 64 -46.658 37.018 -16.301 1.00 0.00 N ATOM 923 CA GLU A 64 -46.657 35.813 -15.482 1.00 0.00 C ATOM 924 C GLU A 64 -45.776 36.003 -14.250 1.00 0.00 C ATOM 925 O GLU A 64 -46.122 35.562 -13.154 1.00 0.00 O ATOM 926 CB GLU A 64 -46.144 34.625 -16.300 1.00 0.00 C ATOM 927 CG GLU A 64 -46.470 33.322 -15.569 1.00 0.00 C ATOM 928 CD GLU A 64 -45.698 32.166 -16.195 1.00 0.00 C ATOM 929 OE1 GLU A 64 -44.579 32.392 -16.627 1.00 0.00 O ATOM 930 OE2 GLU A 64 -46.235 31.072 -16.234 1.00 0.00 O ATOM 0 H GLU A 64 -46.245 36.903 -17.227 1.00 0.00 H new ATOM 0 HA GLU A 64 -47.679 35.616 -15.158 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -46.604 34.625 -17.288 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -45.068 34.711 -16.450 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -46.212 33.413 -14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -47.541 33.125 -15.620 1.00 0.00 H new ATOM 937 N GLN A 65 -44.640 36.664 -14.440 1.00 0.00 N ATOM 938 CA GLN A 65 -43.717 36.909 -13.337 1.00 0.00 C ATOM 939 C GLN A 65 -44.356 37.822 -12.297 1.00 0.00 C ATOM 940 O GLN A 65 -44.594 37.414 -11.159 1.00 0.00 O ATOM 941 CB GLN A 65 -42.433 37.552 -13.863 1.00 0.00 C ATOM 942 CG GLN A 65 -41.656 36.534 -14.699 1.00 0.00 C ATOM 943 CD GLN A 65 -40.304 37.112 -15.100 1.00 0.00 C ATOM 944 OE1 GLN A 65 -39.818 36.852 -16.201 1.00 0.00 O ATOM 945 NE2 GLN A 65 -39.661 37.885 -14.267 1.00 0.00 N ATOM 0 H GLN A 65 -44.337 37.037 -15.340 1.00 0.00 H new ATOM 0 HA GLN A 65 -43.479 35.954 -12.869 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -42.673 38.427 -14.467 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -41.820 37.898 -13.031 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -41.514 35.616 -14.129 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -42.227 36.271 -15.590 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -40.065 38.100 -13.355 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -38.755 38.274 -14.528 1.00 0.00 H new ATOM 954 N MET A 66 -44.632 39.061 -12.693 1.00 0.00 N ATOM 955 CA MET A 66 -45.244 40.024 -11.786 1.00 0.00 C ATOM 956 C MET A 66 -46.515 39.447 -11.170 1.00 0.00 C ATOM 957 O MET A 66 -46.833 39.717 -10.011 1.00 0.00 O ATOM 958 CB MET A 66 -45.577 41.313 -12.539 1.00 0.00 C ATOM 959 CG MET A 66 -46.272 40.970 -13.858 1.00 0.00 C ATOM 960 SD MET A 66 -46.826 42.493 -14.662 1.00 0.00 S ATOM 961 CE MET A 66 -48.455 42.584 -13.878 1.00 0.00 C ATOM 0 H MET A 66 -44.443 39.419 -13.629 1.00 0.00 H new ATOM 0 HA MET A 66 -44.535 40.244 -10.988 1.00 0.00 H new ATOM 0 HB2 MET A 66 -46.222 41.946 -11.930 1.00 0.00 H new ATOM 0 HB3 MET A 66 -44.666 41.879 -12.732 1.00 0.00 H new ATOM 0 HG2 MET A 66 -45.588 40.429 -14.512 1.00 0.00 H new ATOM 0 HG3 MET A 66 -47.122 40.314 -13.673 1.00 0.00 H new ATOM 0 HE1 MET A 66 -48.983 43.468 -14.237 1.00 0.00 H new ATOM 0 HE2 MET A 66 -49.029 41.692 -14.128 1.00 0.00 H new ATOM 0 HE3 MET A 66 -48.335 42.647 -12.796 1.00 0.00 H new ATOM 971 N ALA A 67 -47.239 38.653 -11.952 1.00 0.00 N ATOM 972 CA ALA A 67 -48.475 38.045 -11.474 1.00 0.00 C ATOM 973 C ALA A 67 -48.178 37.015 -10.388 1.00 0.00 C ATOM 974 O ALA A 67 -48.898 36.921 -9.394 1.00 0.00 O ATOM 975 CB ALA A 67 -49.209 37.370 -12.633 1.00 0.00 C ATOM 0 H ALA A 67 -46.993 38.417 -12.913 1.00 0.00 H new ATOM 0 HA ALA A 67 -49.105 38.829 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.131 36.919 -12.266 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -49.446 38.112 -13.395 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -48.574 36.597 -13.065 1.00 0.00 H new ATOM 981 N LYS A 68 -47.114 36.244 -10.586 1.00 0.00 N ATOM 982 CA LYS A 68 -46.733 35.224 -9.616 1.00 0.00 C ATOM 983 C LYS A 68 -46.175 35.871 -8.352 1.00 0.00 C ATOM 984 O LYS A 68 -46.379 35.371 -7.245 1.00 0.00 O ATOM 985 CB LYS A 68 -45.680 34.292 -10.225 1.00 0.00 C ATOM 986 CG LYS A 68 -45.600 32.994 -9.409 1.00 0.00 C ATOM 987 CD LYS A 68 -46.627 31.987 -9.933 1.00 0.00 C ATOM 988 CE LYS A 68 -46.507 30.679 -9.148 1.00 0.00 C ATOM 989 NZ LYS A 68 -47.586 29.744 -9.575 1.00 0.00 N ATOM 0 H LYS A 68 -46.505 36.305 -11.402 1.00 0.00 H new ATOM 0 HA LYS A 68 -47.620 34.647 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -45.936 34.066 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -44.708 34.785 -10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -44.597 32.573 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -45.787 33.204 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -47.634 32.393 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -46.462 31.803 -10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -45.530 30.227 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -46.583 30.876 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -47.506 28.855 -9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -48.514 30.176 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -47.493 29.548 -10.592 1.00 0.00 H new ATOM 1003 N GLU A 69 -45.472 36.986 -8.524 1.00 0.00 N ATOM 1004 CA GLU A 69 -44.891 37.693 -7.389 1.00 0.00 C ATOM 1005 C GLU A 69 -45.986 38.295 -6.516 1.00 0.00 C ATOM 1006 O GLU A 69 -46.083 37.989 -5.328 1.00 0.00 O ATOM 1007 CB GLU A 69 -43.960 38.802 -7.885 1.00 0.00 C ATOM 1008 CG GLU A 69 -42.729 38.180 -8.545 1.00 0.00 C ATOM 1009 CD GLU A 69 -41.854 39.272 -9.152 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -41.539 40.213 -8.443 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -41.515 39.151 -10.318 1.00 0.00 O ATOM 0 H GLU A 69 -45.292 37.416 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 69 -44.320 36.980 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -44.484 39.439 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -43.657 39.436 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -42.159 37.613 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -43.037 37.477 -9.319 1.00 0.00 H new ATOM 1018 N MET A 70 -46.810 39.151 -7.112 1.00 0.00 N ATOM 1019 CA MET A 70 -47.895 39.788 -6.375 1.00 0.00 C ATOM 1020 C MET A 70 -48.852 38.738 -5.825 1.00 0.00 C ATOM 1021 O MET A 70 -49.259 38.802 -4.665 1.00 0.00 O ATOM 1022 CB MET A 70 -48.661 40.746 -7.290 1.00 0.00 C ATOM 1023 CG MET A 70 -49.426 39.950 -8.349 1.00 0.00 C ATOM 1024 SD MET A 70 -49.909 41.052 -9.701 1.00 0.00 S ATOM 1025 CE MET A 70 -51.447 41.656 -8.965 1.00 0.00 C ATOM 0 H MET A 70 -46.748 39.418 -8.095 1.00 0.00 H new ATOM 0 HA MET A 70 -47.465 40.347 -5.544 1.00 0.00 H new ATOM 0 HB2 MET A 70 -49.355 41.348 -6.703 1.00 0.00 H new ATOM 0 HB3 MET A 70 -47.968 41.436 -7.771 1.00 0.00 H new ATOM 0 HG2 MET A 70 -48.804 39.140 -8.730 1.00 0.00 H new ATOM 0 HG3 MET A 70 -50.310 39.491 -7.906 1.00 0.00 H new ATOM 0 HE1 MET A 70 -51.922 42.364 -9.644 1.00 0.00 H new ATOM 0 HE2 MET A 70 -52.120 40.817 -8.788 1.00 0.00 H new ATOM 0 HE3 MET A 70 -51.228 42.151 -8.019 1.00 0.00 H new ATOM 1035 N SER A 71 -49.210 37.775 -6.665 1.00 0.00 N ATOM 1036 CA SER A 71 -50.123 36.720 -6.251 1.00 0.00 C ATOM 1037 C SER A 71 -49.570 35.981 -5.036 1.00 0.00 C ATOM 1038 O SER A 71 -50.290 35.725 -4.071 1.00 0.00 O ATOM 1039 CB SER A 71 -50.339 35.732 -7.397 1.00 0.00 C ATOM 1040 OG SER A 71 -51.168 34.668 -6.949 1.00 0.00 O ATOM 0 H SER A 71 -48.885 37.703 -7.629 1.00 0.00 H new ATOM 0 HA SER A 71 -51.076 37.176 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 71 -50.802 36.237 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 71 -49.381 35.342 -7.742 1.00 0.00 H new ATOM 0 HG SER A 71 -51.310 34.033 -7.682 1.00 0.00 H new ATOM 1046 N GLU A 72 -48.285 35.642 -5.091 1.00 0.00 N ATOM 1047 CA GLU A 72 -47.645 34.933 -3.990 1.00 0.00 C ATOM 1048 C GLU A 72 -47.472 35.856 -2.787 1.00 0.00 C ATOM 1049 O GLU A 72 -47.546 35.418 -1.640 1.00 0.00 O ATOM 1050 CB GLU A 72 -46.278 34.405 -4.431 1.00 0.00 C ATOM 1051 CG GLU A 72 -45.720 33.471 -3.357 1.00 0.00 C ATOM 1052 CD GLU A 72 -44.324 32.999 -3.751 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -44.115 32.748 -4.925 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -43.485 32.896 -2.870 1.00 0.00 O ATOM 0 H GLU A 72 -47.671 35.845 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 72 -48.282 34.096 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -46.370 33.873 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -45.592 35.236 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -45.681 33.988 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -46.381 32.613 -3.230 1.00 0.00 H new ATOM 1061 N PHE A 73 -47.241 37.136 -3.060 1.00 0.00 N ATOM 1062 CA PHE A 73 -47.059 38.113 -1.993 1.00 0.00 C ATOM 1063 C PHE A 73 -48.364 38.319 -1.228 1.00 0.00 C ATOM 1064 O PHE A 73 -48.457 37.999 -0.044 1.00 0.00 O ATOM 1065 CB PHE A 73 -46.592 39.448 -2.579 1.00 0.00 C ATOM 1066 CG PHE A 73 -46.080 40.335 -1.469 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -44.763 40.197 -1.015 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -46.922 41.295 -0.894 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -44.287 41.020 0.013 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -46.447 42.117 0.134 1.00 0.00 C ATOM 1071 CZ PHE A 73 -45.129 41.980 0.588 1.00 0.00 C ATOM 0 H PHE A 73 -47.176 37.519 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 73 -46.303 37.735 -1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -45.806 39.279 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -47.416 39.937 -3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -44.114 39.456 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -47.938 41.401 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -43.271 40.914 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -47.097 42.857 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 73 -44.762 42.615 1.381 1.00 0.00 H new ATOM 1081 N LEU A 74 -49.368 38.854 -1.915 1.00 0.00 N ATOM 1082 CA LEU A 74 -50.664 39.096 -1.290 1.00 0.00 C ATOM 1083 C LEU A 74 -51.121 37.863 -0.518 1.00 0.00 C ATOM 1084 O LEU A 74 -51.674 37.974 0.576 1.00 0.00 O ATOM 1085 CB LEU A 74 -51.704 39.447 -2.357 1.00 0.00 C ATOM 1086 CG LEU A 74 -51.235 40.668 -3.156 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -52.050 40.774 -4.447 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -51.432 41.941 -2.326 1.00 0.00 C ATOM 0 H LEU A 74 -49.311 39.126 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 74 -50.562 39.931 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -51.854 38.599 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -52.665 39.656 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 74 -50.178 40.555 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -51.718 41.642 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.907 39.872 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -53.107 40.883 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -51.097 42.805 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -52.488 42.056 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -50.852 41.869 -1.406 1.00 0.00 H new