USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 13 LYS NZ :NH3+ 145:sc= 0.543 (180deg=0) USER MOD Set 1.2: A 14 ASN : amide:sc= -6.07! C(o=-5.5!,f=-4.8!) USER MOD Single : A 2 ASN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 151:sc= -6.9! (180deg=-8.39!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 137:sc= -3.21! (180deg=-4.79!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 27 SER OG : rot -130:sc= -1.69 USER MOD Single : A 28 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.29) USER MOD Single : A 31 LYS NZ :NH3+ 139:sc= -4.6! (180deg=-6.05!) USER MOD Single : A 36 ASN : amide:sc= -17.6! C(o=-18!,f=-9.5!) USER MOD Single : A 37 SER OG : rot -72:sc= 0.101 USER MOD Single : A 49 GLN : amide:sc= -0.233 K(o=-0.23,f=-1) USER MOD Single : A 58 HIS : no HD1:sc= -1.6! K(o=-1.6!,f=-0.46) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -5.52! C(o=-5.5!,f=-7.3!) USER MOD Single : A 65 SER OG : rot 174:sc= -3.2! USER MOD Single : A 72 TYR OH : rot -97:sc= 1.24 USER MOD Single : A 75 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.77) USER MOD Single : A 76 ASN : amide:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= -11.6! (180deg=-12.5!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.644 -7.264 11.410 1.00 0.00 N ATOM 21 CA ASN A 2 -2.924 -6.143 11.997 1.00 0.00 C ATOM 22 C ASN A 2 -1.589 -5.921 11.300 1.00 0.00 C ATOM 23 O ASN A 2 -1.101 -4.798 11.218 1.00 0.00 O ATOM 24 CB ASN A 2 -2.694 -6.372 13.491 1.00 0.00 C ATOM 25 CG ASN A 2 -2.799 -7.834 13.875 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.698 -8.230 14.618 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.877 -8.647 13.372 1.00 0.00 N ATOM 0 HA ASN A 2 -3.537 -5.252 11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.708 -5.997 13.766 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.424 -5.796 14.060 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.896 -9.642 13.597 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.150 -8.277 12.760 1.00 0.00 H new ATOM 34 N ASP A 3 -0.998 -7.003 10.818 1.00 0.00 N ATOM 35 CA ASP A 3 0.294 -6.935 10.142 1.00 0.00 C ATOM 36 C ASP A 3 0.294 -5.891 9.030 1.00 0.00 C ATOM 37 O ASP A 3 1.299 -5.218 8.800 1.00 0.00 O ATOM 38 CB ASP A 3 0.664 -8.304 9.569 1.00 0.00 C ATOM 39 CG ASP A 3 0.073 -9.447 10.372 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.169 -9.554 10.427 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.854 -10.233 10.948 1.00 0.00 O ATOM 0 H ASP A 3 -1.391 -7.942 10.881 1.00 0.00 H new ATOM 0 HA ASP A 3 1.037 -6.638 10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.315 -8.370 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.749 -8.403 9.545 1.00 0.00 H new ATOM 46 N VAL A 4 -0.831 -5.767 8.342 1.00 0.00 N ATOM 47 CA VAL A 4 -0.955 -4.809 7.249 1.00 0.00 C ATOM 48 C VAL A 4 -0.995 -3.372 7.762 1.00 0.00 C ATOM 49 O VAL A 4 -0.306 -2.504 7.238 1.00 0.00 O ATOM 50 CB VAL A 4 -2.212 -5.078 6.401 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.024 -6.322 5.546 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.439 -5.213 7.287 1.00 0.00 C ATOM 0 H VAL A 4 -1.672 -6.317 8.520 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.071 -4.937 6.625 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.366 -4.228 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.923 -6.496 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.173 -6.181 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.842 -7.182 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.316 -5.403 6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.298 -6.042 7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.585 -4.291 7.850 1.00 0.00 H new ATOM 62 N LEU A 5 -1.807 -3.126 8.781 1.00 0.00 N ATOM 63 CA LEU A 5 -1.933 -1.794 9.357 1.00 0.00 C ATOM 64 C LEU A 5 -0.651 -1.364 10.060 1.00 0.00 C ATOM 65 O LEU A 5 -0.297 -0.190 10.066 1.00 0.00 O ATOM 66 CB LEU A 5 -3.101 -1.744 10.335 1.00 0.00 C ATOM 67 CG LEU A 5 -4.371 -2.468 9.880 1.00 0.00 C ATOM 68 CD1 LEU A 5 -4.459 -2.495 8.362 1.00 0.00 C ATOM 69 CD2 LEU A 5 -4.411 -3.880 10.443 1.00 0.00 C ATOM 0 H LEU A 5 -2.390 -3.834 9.227 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.120 -1.100 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.778 -2.174 11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.348 -0.700 10.527 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.233 -1.921 10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.369 -3.014 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.480 -1.474 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.592 -3.016 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.321 -4.379 10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.542 -4.436 10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.399 -3.838 11.532 1.00 0.00 H new ATOM 81 N THR A 6 0.029 -2.322 10.667 1.00 0.00 N ATOM 82 CA THR A 6 1.261 -2.046 11.398 1.00 0.00 C ATOM 83 C THR A 6 2.355 -1.512 10.483 1.00 0.00 C ATOM 84 O THR A 6 2.891 -0.426 10.705 1.00 0.00 O ATOM 85 CB THR A 6 1.751 -3.310 12.103 1.00 0.00 C ATOM 86 OG1 THR A 6 1.928 -3.073 13.488 1.00 0.00 O ATOM 87 CG2 THR A 6 3.063 -3.825 11.555 1.00 0.00 C ATOM 0 H THR A 6 -0.250 -3.303 10.670 1.00 0.00 H new ATOM 0 HA THR A 6 1.036 -1.277 12.137 1.00 0.00 H new ATOM 0 HB THR A 6 0.980 -4.060 11.926 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.240 -3.894 13.923 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.356 -4.724 12.098 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.948 -4.061 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.832 -3.062 11.675 1.00 0.00 H new ATOM 95 N ARG A 7 2.689 -2.287 9.465 1.00 0.00 N ATOM 96 CA ARG A 7 3.725 -1.910 8.518 1.00 0.00 C ATOM 97 C ARG A 7 3.211 -0.879 7.525 1.00 0.00 C ATOM 98 O ARG A 7 3.927 0.048 7.144 1.00 0.00 O ATOM 99 CB ARG A 7 4.235 -3.143 7.772 1.00 0.00 C ATOM 100 CG ARG A 7 3.456 -3.452 6.503 1.00 0.00 C ATOM 101 CD ARG A 7 3.926 -2.596 5.339 1.00 0.00 C ATOM 102 NE ARG A 7 5.382 -2.574 5.227 1.00 0.00 N ATOM 103 CZ ARG A 7 6.068 -3.354 4.399 1.00 0.00 C ATOM 104 NH1 ARG A 7 5.432 -4.212 3.612 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.391 -3.275 4.354 1.00 0.00 N ATOM 0 H ARG A 7 2.253 -3.189 9.272 1.00 0.00 H new ATOM 0 HA ARG A 7 4.547 -1.465 9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.284 -2.995 7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.187 -4.005 8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.572 -4.506 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.394 -3.281 6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.497 -2.978 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.557 -1.578 5.466 1.00 0.00 H new ATOM 0 HE ARG A 7 5.901 -1.924 5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.414 -4.274 3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.961 -4.810 2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.883 -2.615 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.916 -3.875 3.718 1.00 0.00 H new ATOM 119 N VAL A 8 1.968 -1.056 7.100 1.00 0.00 N ATOM 120 CA VAL A 8 1.350 -0.156 6.140 1.00 0.00 C ATOM 121 C VAL A 8 1.160 1.241 6.723 1.00 0.00 C ATOM 122 O VAL A 8 1.547 2.234 6.107 1.00 0.00 O ATOM 123 CB VAL A 8 -0.011 -0.693 5.660 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.107 -0.335 6.651 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.341 -0.160 4.276 1.00 0.00 C ATOM 0 H VAL A 8 1.366 -1.820 7.408 1.00 0.00 H new ATOM 0 HA VAL A 8 2.029 -0.095 5.289 1.00 0.00 H new ATOM 0 HB VAL A 8 0.052 -1.779 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.061 -0.723 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.877 -0.774 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.170 0.749 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.307 -0.552 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.383 0.929 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.429 -0.474 3.572 1.00 0.00 H new ATOM 135 N LEU A 9 0.563 1.316 7.910 1.00 0.00 N ATOM 136 CA LEU A 9 0.332 2.606 8.556 1.00 0.00 C ATOM 137 C LEU A 9 1.654 3.303 8.860 1.00 0.00 C ATOM 138 O LEU A 9 1.809 4.497 8.610 1.00 0.00 O ATOM 139 CB LEU A 9 -0.473 2.430 9.846 1.00 0.00 C ATOM 140 CG LEU A 9 0.298 2.702 11.139 1.00 0.00 C ATOM 141 CD1 LEU A 9 -0.103 4.047 11.725 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.056 1.588 12.145 1.00 0.00 C ATOM 0 H LEU A 9 0.234 0.509 8.439 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.241 3.227 7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.336 3.095 9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.857 1.411 9.879 1.00 0.00 H new ATOM 0 HG LEU A 9 1.363 2.732 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.455 4.224 12.644 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.119 4.837 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.171 4.045 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.611 1.796 13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.008 1.528 12.373 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.391 0.640 11.725 1.00 0.00 H new ATOM 154 N GLU A 10 2.603 2.547 9.402 1.00 0.00 N ATOM 155 CA GLU A 10 3.911 3.087 9.740 1.00 0.00 C ATOM 156 C GLU A 10 4.660 3.515 8.488 1.00 0.00 C ATOM 157 O GLU A 10 5.430 4.475 8.501 1.00 0.00 O ATOM 158 CB GLU A 10 4.734 2.053 10.510 1.00 0.00 C ATOM 159 CG GLU A 10 5.216 0.899 9.648 1.00 0.00 C ATOM 160 CD GLU A 10 6.616 0.444 10.013 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.584 1.131 9.623 1.00 0.00 O ATOM 162 OE2 GLU A 10 6.745 -0.599 10.688 1.00 0.00 O ATOM 0 H GLU A 10 2.488 1.556 9.616 1.00 0.00 H new ATOM 0 HA GLU A 10 3.760 3.963 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.597 2.547 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.133 1.658 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.527 0.061 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.197 1.200 8.601 1.00 0.00 H new ATOM 169 N VAL A 11 4.435 2.784 7.410 1.00 0.00 N ATOM 170 CA VAL A 11 5.090 3.061 6.141 1.00 0.00 C ATOM 171 C VAL A 11 4.787 4.467 5.641 1.00 0.00 C ATOM 172 O VAL A 11 5.694 5.250 5.361 1.00 0.00 O ATOM 173 CB VAL A 11 4.671 2.048 5.073 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.612 2.702 3.701 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.612 0.854 5.069 1.00 0.00 C ATOM 0 H VAL A 11 3.798 1.987 7.388 1.00 0.00 H new ATOM 0 HA VAL A 11 6.162 2.978 6.320 1.00 0.00 H new ATOM 0 HB VAL A 11 3.671 1.689 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.312 1.963 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.887 3.516 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.595 3.097 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.297 0.145 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.627 1.191 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.588 0.368 6.045 1.00 0.00 H new ATOM 185 N VAL A 12 3.506 4.772 5.525 1.00 0.00 N ATOM 186 CA VAL A 12 3.068 6.080 5.050 1.00 0.00 C ATOM 187 C VAL A 12 3.464 7.189 6.020 1.00 0.00 C ATOM 188 O VAL A 12 4.070 8.186 5.624 1.00 0.00 O ATOM 189 CB VAL A 12 1.542 6.118 4.844 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.081 4.915 4.036 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.824 6.177 6.184 1.00 0.00 C ATOM 0 H VAL A 12 2.746 4.131 5.753 1.00 0.00 H new ATOM 0 HA VAL A 12 3.565 6.247 4.095 1.00 0.00 H new ATOM 0 HB VAL A 12 1.292 7.019 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.000 4.960 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.569 4.923 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.343 3.999 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.253 6.203 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.079 5.296 6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.131 7.074 6.722 1.00 0.00 H new ATOM 201 N LYS A 13 3.114 7.014 7.290 1.00 0.00 N ATOM 202 CA LYS A 13 3.429 8.007 8.310 1.00 0.00 C ATOM 203 C LYS A 13 4.927 8.290 8.355 1.00 0.00 C ATOM 204 O LYS A 13 5.345 9.445 8.450 1.00 0.00 O ATOM 205 CB LYS A 13 2.934 7.535 9.680 1.00 0.00 C ATOM 206 CG LYS A 13 3.979 6.787 10.490 1.00 0.00 C ATOM 207 CD LYS A 13 3.920 7.169 11.960 1.00 0.00 C ATOM 208 CE LYS A 13 4.324 8.619 12.174 1.00 0.00 C ATOM 209 NZ LYS A 13 5.788 8.760 12.402 1.00 0.00 N ATOM 0 H LYS A 13 2.613 6.196 7.637 1.00 0.00 H new ATOM 0 HA LYS A 13 2.918 8.934 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.597 8.400 10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.067 6.889 9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.823 5.713 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.972 7.005 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.910 7.012 12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.580 6.518 12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.034 9.209 11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.783 9.024 13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.122 9.647 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.980 8.774 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.286 7.957 11.967 1.00 0.00 H new ATOM 223 N ASN A 14 5.732 7.234 8.289 1.00 0.00 N ATOM 224 CA ASN A 14 7.177 7.375 8.326 1.00 0.00 C ATOM 225 C ASN A 14 7.732 7.685 6.939 1.00 0.00 C ATOM 226 O ASN A 14 8.933 7.896 6.773 1.00 0.00 O ATOM 227 CB ASN A 14 7.825 6.101 8.871 1.00 0.00 C ATOM 228 CG ASN A 14 7.265 5.697 10.220 1.00 0.00 C ATOM 229 OD1 ASN A 14 7.343 6.453 11.189 1.00 0.00 O ATOM 230 ND2 ASN A 14 6.696 4.500 10.290 1.00 0.00 N ATOM 0 H ASN A 14 5.404 6.271 8.210 1.00 0.00 H new ATOM 0 HA ASN A 14 7.415 8.207 8.988 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.675 5.288 8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.901 6.253 8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.301 4.174 11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.653 3.906 9.462 1.00 0.00 H new ATOM 237 N PHE A 15 6.849 7.714 5.946 1.00 0.00 N ATOM 238 CA PHE A 15 7.250 7.999 4.578 1.00 0.00 C ATOM 239 C PHE A 15 7.528 9.486 4.398 1.00 0.00 C ATOM 240 O PHE A 15 8.241 9.889 3.478 1.00 0.00 O ATOM 241 CB PHE A 15 6.165 7.547 3.599 1.00 0.00 C ATOM 242 CG PHE A 15 6.585 6.399 2.726 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.389 5.387 3.229 1.00 0.00 C ATOM 244 CD2 PHE A 15 6.177 6.332 1.404 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.777 4.330 2.428 1.00 0.00 C ATOM 246 CE2 PHE A 15 6.563 5.277 0.598 1.00 0.00 C ATOM 247 CZ PHE A 15 7.364 4.275 1.112 1.00 0.00 C ATOM 0 H PHE A 15 5.851 7.543 6.066 1.00 0.00 H new ATOM 0 HA PHE A 15 8.166 7.446 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.277 7.259 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.883 8.389 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.715 5.426 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.550 7.113 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.403 3.548 2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.239 5.236 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.667 3.450 0.485 1.00 0.00 H new ATOM 257 N GLU A 16 6.958 10.295 5.282 1.00 0.00 N ATOM 258 CA GLU A 16 7.139 11.742 5.228 1.00 0.00 C ATOM 259 C GLU A 16 5.899 12.420 4.656 1.00 0.00 C ATOM 260 O GLU A 16 5.789 13.646 4.665 1.00 0.00 O ATOM 261 CB GLU A 16 8.364 12.094 4.382 1.00 0.00 C ATOM 262 CG GLU A 16 8.065 12.216 2.900 1.00 0.00 C ATOM 263 CD GLU A 16 8.357 13.601 2.359 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.549 13.955 2.244 1.00 0.00 O ATOM 265 OE2 GLU A 16 7.393 14.333 2.048 1.00 0.00 O ATOM 0 H GLU A 16 6.365 9.974 6.047 1.00 0.00 H new ATOM 0 HA GLU A 16 7.295 12.103 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.783 13.035 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.128 11.330 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.658 11.483 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.017 11.974 2.723 1.00 0.00 H new ATOM 272 N LYS A 17 4.969 11.613 4.157 1.00 0.00 N ATOM 273 CA LYS A 17 3.736 12.131 3.580 1.00 0.00 C ATOM 274 C LYS A 17 2.906 12.862 4.630 1.00 0.00 C ATOM 275 O LYS A 17 2.248 13.858 4.331 1.00 0.00 O ATOM 276 CB LYS A 17 2.919 10.993 2.966 1.00 0.00 C ATOM 277 CG LYS A 17 3.616 10.306 1.802 1.00 0.00 C ATOM 278 CD LYS A 17 3.758 8.812 2.040 1.00 0.00 C ATOM 279 CE LYS A 17 2.693 8.024 1.294 1.00 0.00 C ATOM 280 NZ LYS A 17 2.479 6.676 1.889 1.00 0.00 N ATOM 0 H LYS A 17 5.047 10.596 4.141 1.00 0.00 H new ATOM 0 HA LYS A 17 4.002 12.842 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.703 10.254 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.962 11.387 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.051 10.477 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.602 10.747 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.746 8.484 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.685 8.604 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.755 8.579 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.986 7.917 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.497 6.375 1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.129 5.995 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.660 6.715 2.912 1.00 0.00 H new ATOM 294 N VAL A 18 2.941 12.361 5.861 1.00 0.00 N ATOM 295 CA VAL A 18 2.192 12.972 6.953 1.00 0.00 C ATOM 296 C VAL A 18 2.320 12.155 8.234 1.00 0.00 C ATOM 297 O VAL A 18 2.352 10.924 8.198 1.00 0.00 O ATOM 298 CB VAL A 18 0.700 13.115 6.598 1.00 0.00 C ATOM 299 CG1 VAL A 18 0.390 14.536 6.155 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.308 12.114 5.521 1.00 0.00 C ATOM 0 H VAL A 18 3.479 11.536 6.127 1.00 0.00 H new ATOM 0 HA VAL A 18 2.618 13.962 7.113 1.00 0.00 H new ATOM 0 HB VAL A 18 0.111 12.901 7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.669 14.617 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.629 15.229 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.987 14.782 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.749 12.230 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.903 12.292 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.490 11.102 5.882 1.00 0.00 H new ATOM 310 N ASP A 19 2.394 12.848 9.366 1.00 0.00 N ATOM 311 CA ASP A 19 2.519 12.190 10.659 1.00 0.00 C ATOM 312 C ASP A 19 1.240 11.439 11.013 1.00 0.00 C ATOM 313 O ASP A 19 0.145 11.999 10.962 1.00 0.00 O ATOM 314 CB ASP A 19 2.840 13.215 11.748 1.00 0.00 C ATOM 315 CG ASP A 19 4.217 13.010 12.347 1.00 0.00 C ATOM 316 OD1 ASP A 19 5.165 12.742 11.579 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.348 13.119 13.584 1.00 0.00 O ATOM 0 H ASP A 19 2.369 13.867 9.412 1.00 0.00 H new ATOM 0 HA ASP A 19 3.336 11.471 10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.775 14.219 11.329 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.090 13.150 12.537 1.00 0.00 H new ATOM 322 N ALA A 20 1.386 10.167 11.372 1.00 0.00 N ATOM 323 CA ALA A 20 0.241 9.341 11.734 1.00 0.00 C ATOM 324 C ALA A 20 -0.475 9.901 12.958 1.00 0.00 C ATOM 325 O ALA A 20 -1.646 9.603 13.195 1.00 0.00 O ATOM 326 CB ALA A 20 0.683 7.909 11.991 1.00 0.00 C ATOM 0 H ALA A 20 2.285 9.687 11.420 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.459 9.350 10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.183 7.304 12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.143 7.503 11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.406 7.892 12.807 1.00 0.00 H new ATOM 332 N SER A 21 0.237 10.712 13.730 1.00 0.00 N ATOM 333 CA SER A 21 -0.327 11.314 14.931 1.00 0.00 C ATOM 334 C SER A 21 -1.426 12.309 14.575 1.00 0.00 C ATOM 335 O SER A 21 -2.279 12.631 15.403 1.00 0.00 O ATOM 336 CB SER A 21 0.767 12.012 15.740 1.00 0.00 C ATOM 337 OG SER A 21 1.361 13.063 14.996 1.00 0.00 O ATOM 0 H SER A 21 1.207 10.968 13.546 1.00 0.00 H new ATOM 0 HA SER A 21 -0.763 10.519 15.535 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.344 12.410 16.662 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.530 11.288 16.026 1.00 0.00 H new ATOM 0 HG SER A 21 2.056 13.494 15.536 1.00 0.00 H new ATOM 343 N LYS A 22 -1.399 12.793 13.338 1.00 0.00 N ATOM 344 CA LYS A 22 -2.388 13.749 12.870 1.00 0.00 C ATOM 345 C LYS A 22 -3.530 13.044 12.147 1.00 0.00 C ATOM 346 O LYS A 22 -4.594 13.623 11.933 1.00 0.00 O ATOM 347 CB LYS A 22 -1.736 14.776 11.941 1.00 0.00 C ATOM 348 CG LYS A 22 -2.657 15.265 10.835 1.00 0.00 C ATOM 349 CD LYS A 22 -2.673 14.305 9.658 1.00 0.00 C ATOM 350 CE LYS A 22 -1.545 14.601 8.682 1.00 0.00 C ATOM 351 NZ LYS A 22 -1.897 15.704 7.746 1.00 0.00 N ATOM 0 H LYS A 22 -0.699 12.536 12.642 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.797 14.264 13.739 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.406 15.630 12.532 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.846 14.335 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.668 15.379 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.332 16.249 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.582 13.281 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.630 14.376 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.646 14.868 9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.312 13.701 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.084 16.344 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.145 15.306 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.708 16.234 8.124 1.00 0.00 H new ATOM 365 N VAL A 23 -3.300 11.790 11.770 1.00 0.00 N ATOM 366 CA VAL A 23 -4.305 11.007 11.069 1.00 0.00 C ATOM 367 C VAL A 23 -5.333 10.431 12.037 1.00 0.00 C ATOM 368 O VAL A 23 -4.981 9.741 12.994 1.00 0.00 O ATOM 369 CB VAL A 23 -3.666 9.854 10.273 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.531 10.372 9.402 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.171 8.766 11.215 1.00 0.00 C ATOM 0 H VAL A 23 -2.424 11.296 11.940 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.803 11.686 10.377 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.425 9.421 9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.091 9.544 8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.918 11.113 8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.769 10.831 10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.722 7.959 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.426 9.183 11.893 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.009 8.375 11.792 1.00 0.00 H new ATOM 381 N THR A 24 -6.605 10.717 11.780 1.00 0.00 N ATOM 382 CA THR A 24 -7.682 10.229 12.618 1.00 0.00 C ATOM 383 C THR A 24 -8.563 9.246 11.855 1.00 0.00 C ATOM 384 O THR A 24 -8.484 9.149 10.629 1.00 0.00 O ATOM 385 CB THR A 24 -8.522 11.395 13.141 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.549 11.399 14.557 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.955 11.368 12.656 1.00 0.00 C ATOM 0 H THR A 24 -6.911 11.288 10.992 1.00 0.00 H new ATOM 0 HA THR A 24 -7.240 9.706 13.466 1.00 0.00 H new ATOM 0 HB THR A 24 -8.041 12.292 12.752 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.090 12.153 14.872 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.494 12.223 13.065 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.972 11.415 11.567 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.434 10.446 12.986 1.00 0.00 H new ATOM 395 N PRO A 25 -9.414 8.499 12.573 1.00 0.00 N ATOM 396 CA PRO A 25 -10.314 7.514 11.962 1.00 0.00 C ATOM 397 C PRO A 25 -11.204 8.128 10.888 1.00 0.00 C ATOM 398 O PRO A 25 -11.516 7.488 9.884 1.00 0.00 O ATOM 399 CB PRO A 25 -11.160 7.020 13.140 1.00 0.00 C ATOM 400 CG PRO A 25 -10.338 7.306 14.349 1.00 0.00 C ATOM 401 CD PRO A 25 -9.563 8.554 14.036 1.00 0.00 C ATOM 0 HA PRO A 25 -9.763 6.722 11.456 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.118 7.537 13.182 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.376 5.955 13.052 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.970 7.448 15.226 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.668 6.476 14.571 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.097 9.450 14.353 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.596 8.564 14.539 1.00 0.00 H new ATOM 409 N GLU A 26 -11.611 9.375 11.105 1.00 0.00 N ATOM 410 CA GLU A 26 -12.464 10.075 10.158 1.00 0.00 C ATOM 411 C GLU A 26 -11.665 11.096 9.354 1.00 0.00 C ATOM 412 O GLU A 26 -12.235 11.921 8.640 1.00 0.00 O ATOM 413 CB GLU A 26 -13.613 10.771 10.892 1.00 0.00 C ATOM 414 CG GLU A 26 -13.245 12.141 11.437 1.00 0.00 C ATOM 415 CD GLU A 26 -14.197 12.612 12.520 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.294 12.028 12.640 1.00 0.00 O ATOM 417 OE2 GLU A 26 -13.845 13.565 13.246 1.00 0.00 O ATOM 0 H GLU A 26 -11.362 9.920 11.930 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.876 9.340 9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.458 10.875 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.943 10.138 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.232 12.109 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.242 12.864 10.621 1.00 0.00 H new ATOM 424 N SER A 27 -10.343 11.037 9.480 1.00 0.00 N ATOM 425 CA SER A 27 -9.466 11.958 8.770 1.00 0.00 C ATOM 426 C SER A 27 -9.494 11.694 7.268 1.00 0.00 C ATOM 427 O SER A 27 -9.425 10.547 6.828 1.00 0.00 O ATOM 428 CB SER A 27 -8.035 11.836 9.295 1.00 0.00 C ATOM 429 OG SER A 27 -7.901 12.454 10.563 1.00 0.00 O ATOM 0 H SER A 27 -9.856 10.360 10.068 1.00 0.00 H new ATOM 0 HA SER A 27 -9.827 12.971 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.760 10.784 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.345 12.296 8.588 1.00 0.00 H new ATOM 0 HG SER A 27 -7.127 13.055 10.554 1.00 0.00 H new ATOM 435 N HIS A 28 -9.594 12.764 6.487 1.00 0.00 N ATOM 436 CA HIS A 28 -9.629 12.653 5.039 1.00 0.00 C ATOM 437 C HIS A 28 -8.222 12.487 4.473 1.00 0.00 C ATOM 438 O HIS A 28 -7.264 13.061 4.991 1.00 0.00 O ATOM 439 CB HIS A 28 -10.298 13.883 4.426 1.00 0.00 C ATOM 440 CG HIS A 28 -11.767 13.966 4.702 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.543 12.861 4.984 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.603 15.030 4.739 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.793 13.243 5.181 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.856 14.554 5.039 1.00 0.00 N ATOM 0 H HIS A 28 -9.652 13.720 6.837 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.212 11.768 4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.813 14.780 4.811 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.139 13.873 3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.335 16.062 4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.622 12.593 5.418 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.698 15.121 5.136 1.00 0.00 H new ATOM 453 N PHE A 29 -8.102 11.699 3.411 1.00 0.00 N ATOM 454 CA PHE A 29 -6.812 11.460 2.780 1.00 0.00 C ATOM 455 C PHE A 29 -6.286 12.727 2.112 1.00 0.00 C ATOM 456 O PHE A 29 -6.420 13.825 2.652 1.00 0.00 O ATOM 457 CB PHE A 29 -6.920 10.334 1.751 1.00 0.00 C ATOM 458 CG PHE A 29 -5.694 9.468 1.680 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.527 9.845 2.325 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.710 8.277 0.972 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.398 9.051 2.264 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.584 7.478 0.907 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.426 7.866 1.554 1.00 0.00 C ATOM 0 H PHE A 29 -8.884 11.215 2.969 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.109 11.163 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.781 9.712 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.107 10.767 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.500 10.770 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.613 7.969 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.494 9.356 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.609 6.552 0.352 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.544 7.244 1.505 1.00 0.00 H new ATOM 473 N VAL A 30 -5.689 12.566 0.937 1.00 0.00 N ATOM 474 CA VAL A 30 -5.142 13.695 0.195 1.00 0.00 C ATOM 475 C VAL A 30 -5.905 14.976 0.499 1.00 0.00 C ATOM 476 O VAL A 30 -5.341 16.070 0.484 1.00 0.00 O ATOM 477 CB VAL A 30 -5.171 13.440 -1.323 1.00 0.00 C ATOM 478 CG1 VAL A 30 -5.091 11.950 -1.617 1.00 0.00 C ATOM 479 CG2 VAL A 30 -6.419 14.048 -1.945 1.00 0.00 C ATOM 0 H VAL A 30 -5.571 11.663 0.477 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.106 13.809 0.515 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.301 13.922 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.113 11.790 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.164 11.548 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.939 11.442 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.421 13.857 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.305 13.600 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.427 15.123 -1.768 1.00 0.00 H new ATOM 489 N LYS A 31 -7.191 14.828 0.770 1.00 0.00 N ATOM 490 CA LYS A 31 -8.048 15.966 1.077 1.00 0.00 C ATOM 491 C LYS A 31 -7.611 16.648 2.370 1.00 0.00 C ATOM 492 O LYS A 31 -7.445 17.867 2.414 1.00 0.00 O ATOM 493 CB LYS A 31 -9.506 15.516 1.190 1.00 0.00 C ATOM 494 CG LYS A 31 -10.028 14.821 -0.057 1.00 0.00 C ATOM 495 CD LYS A 31 -9.833 13.316 0.021 1.00 0.00 C ATOM 496 CE LYS A 31 -8.842 12.827 -1.022 1.00 0.00 C ATOM 497 NZ LYS A 31 -9.322 11.598 -1.711 1.00 0.00 N ATOM 0 H LYS A 31 -7.669 13.927 0.784 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.958 16.685 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.604 14.841 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.130 16.385 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.087 15.046 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.512 15.211 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.479 13.045 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.791 12.816 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.672 13.613 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.883 12.625 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.108 11.663 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.845 10.766 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.349 11.505 -1.579 1.00 0.00 H new ATOM 511 N ASP A 32 -7.432 15.854 3.420 1.00 0.00 N ATOM 512 CA ASP A 32 -7.021 16.377 4.712 1.00 0.00 C ATOM 513 C ASP A 32 -5.502 16.475 4.806 1.00 0.00 C ATOM 514 O ASP A 32 -4.951 16.708 5.882 1.00 0.00 O ATOM 515 CB ASP A 32 -7.558 15.493 5.838 1.00 0.00 C ATOM 516 CG ASP A 32 -8.356 16.279 6.860 1.00 0.00 C ATOM 517 OD1 ASP A 32 -9.224 17.078 6.448 1.00 0.00 O ATOM 518 OD2 ASP A 32 -8.116 16.095 8.072 1.00 0.00 O ATOM 0 H ASP A 32 -7.566 14.843 3.398 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.436 17.379 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.187 14.711 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.725 14.997 6.335 1.00 0.00 H new ATOM 523 N LEU A 33 -4.833 16.294 3.671 1.00 0.00 N ATOM 524 CA LEU A 33 -3.376 16.358 3.616 1.00 0.00 C ATOM 525 C LEU A 33 -2.786 14.983 3.326 1.00 0.00 C ATOM 526 O LEU A 33 -1.755 14.607 3.885 1.00 0.00 O ATOM 527 CB LEU A 33 -2.809 16.904 4.928 1.00 0.00 C ATOM 528 CG LEU A 33 -3.275 18.312 5.303 1.00 0.00 C ATOM 529 CD1 LEU A 33 -2.082 19.234 5.497 1.00 0.00 C ATOM 530 CD2 LEU A 33 -4.211 18.866 4.238 1.00 0.00 C ATOM 0 H LEU A 33 -5.279 16.101 2.774 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.100 17.034 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.080 16.222 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.721 16.904 4.863 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.822 18.254 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.432 20.231 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.449 18.847 6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.508 19.286 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.532 19.868 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.689 18.909 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.083 18.218 4.147 1.00 0.00 H new ATOM 542 N GLY A 34 -3.449 14.234 2.452 1.00 0.00 N ATOM 543 CA GLY A 34 -2.980 12.906 2.104 1.00 0.00 C ATOM 544 C GLY A 34 -1.661 12.932 1.358 1.00 0.00 C ATOM 545 O GLY A 34 -1.120 14.001 1.075 1.00 0.00 O ATOM 0 H GLY A 34 -4.304 14.524 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.868 12.314 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.731 12.408 1.490 1.00 0.00 H new ATOM 549 N LEU A 35 -1.142 11.750 1.041 1.00 0.00 N ATOM 550 CA LEU A 35 0.121 11.634 0.327 1.00 0.00 C ATOM 551 C LEU A 35 -0.019 12.099 -1.120 1.00 0.00 C ATOM 552 O LEU A 35 -1.106 12.050 -1.695 1.00 0.00 O ATOM 553 CB LEU A 35 0.613 10.187 0.360 1.00 0.00 C ATOM 554 CG LEU A 35 -0.217 9.203 -0.467 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.007 7.779 0.017 1.00 0.00 C ATOM 556 CD2 LEU A 35 -1.692 9.565 -0.400 1.00 0.00 C ATOM 0 H LEU A 35 -1.580 10.857 1.269 1.00 0.00 H new ATOM 0 HA LEU A 35 0.849 12.275 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.642 10.161 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.626 9.847 1.396 1.00 0.00 H new ATOM 0 HG LEU A 35 0.106 9.267 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.591 7.093 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.062 7.523 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.289 7.699 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.268 8.855 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.029 9.529 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.838 10.571 -0.794 1.00 0.00 H new ATOM 568 N ASN A 36 1.088 12.550 -1.701 1.00 0.00 N ATOM 569 CA ASN A 36 1.091 13.022 -3.079 1.00 0.00 C ATOM 570 C ASN A 36 0.842 11.870 -4.048 1.00 0.00 C ATOM 571 O ASN A 36 0.624 10.733 -3.631 1.00 0.00 O ATOM 572 CB ASN A 36 2.421 13.701 -3.408 1.00 0.00 C ATOM 573 CG ASN A 36 3.514 13.336 -2.427 1.00 0.00 C ATOM 574 OD1 ASN A 36 3.840 14.105 -1.523 1.00 0.00 O ATOM 575 ND2 ASN A 36 4.083 12.156 -2.605 1.00 0.00 N ATOM 0 H ASN A 36 1.995 12.598 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 36 0.285 13.748 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.731 13.419 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.283 14.782 -3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.827 11.849 -1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.778 11.553 -3.369 1.00 0.00 H new ATOM 582 N SER A 37 0.878 12.172 -5.342 1.00 0.00 N ATOM 583 CA SER A 37 0.657 11.160 -6.367 1.00 0.00 C ATOM 584 C SER A 37 1.753 10.106 -6.339 1.00 0.00 C ATOM 585 O SER A 37 1.495 8.926 -6.097 1.00 0.00 O ATOM 586 CB SER A 37 0.594 11.809 -7.751 1.00 0.00 C ATOM 587 OG SER A 37 0.834 13.204 -7.672 1.00 0.00 O ATOM 0 H SER A 37 1.058 13.108 -5.705 1.00 0.00 H new ATOM 0 HA SER A 37 -0.295 10.672 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.332 11.347 -8.407 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.385 11.630 -8.196 1.00 0.00 H new ATOM 0 HG SER A 37 0.059 13.647 -7.267 1.00 0.00 H new ATOM 592 N LEU A 38 2.975 10.546 -6.586 1.00 0.00 N ATOM 593 CA LEU A 38 4.127 9.654 -6.592 1.00 0.00 C ATOM 594 C LEU A 38 4.205 8.859 -5.296 1.00 0.00 C ATOM 595 O LEU A 38 4.783 7.774 -5.253 1.00 0.00 O ATOM 596 CB LEU A 38 5.415 10.454 -6.797 1.00 0.00 C ATOM 597 CG LEU A 38 5.913 11.216 -5.567 1.00 0.00 C ATOM 598 CD1 LEU A 38 4.903 12.273 -5.150 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.190 10.256 -4.419 1.00 0.00 C ATOM 0 H LEU A 38 3.198 11.521 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 38 4.010 8.952 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.199 9.771 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.256 11.167 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 38 6.846 11.717 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.274 12.805 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.756 12.979 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.954 11.794 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.543 10.816 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.274 9.726 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.952 9.537 -4.721 1.00 0.00 H new ATOM 611 N ASP A 39 3.614 9.408 -4.243 1.00 0.00 N ATOM 612 CA ASP A 39 3.612 8.753 -2.943 1.00 0.00 C ATOM 613 C ASP A 39 2.729 7.514 -2.963 1.00 0.00 C ATOM 614 O ASP A 39 3.212 6.393 -3.124 1.00 0.00 O ATOM 615 CB ASP A 39 3.125 9.719 -1.861 1.00 0.00 C ATOM 616 CG ASP A 39 4.224 10.098 -0.888 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.071 9.233 -0.582 1.00 0.00 O ATOM 618 OD2 ASP A 39 4.238 11.261 -0.432 1.00 0.00 O ATOM 0 H ASP A 39 3.130 10.306 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 39 4.634 8.449 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.734 10.621 -2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.301 9.262 -1.314 1.00 0.00 H new ATOM 623 N VAL A 40 1.433 7.729 -2.799 1.00 0.00 N ATOM 624 CA VAL A 40 0.467 6.639 -2.795 1.00 0.00 C ATOM 625 C VAL A 40 0.887 5.528 -3.749 1.00 0.00 C ATOM 626 O VAL A 40 0.689 4.348 -3.467 1.00 0.00 O ATOM 627 CB VAL A 40 -0.940 7.130 -3.184 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.262 6.753 -4.622 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.983 6.567 -2.231 1.00 0.00 C ATOM 0 H VAL A 40 1.023 8.654 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 40 0.438 6.249 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.959 8.217 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.260 7.109 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.532 7.210 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.225 5.669 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.971 6.924 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.964 5.478 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.762 6.895 -1.215 1.00 0.00 H new ATOM 639 N VAL A 41 1.468 5.911 -4.882 1.00 0.00 N ATOM 640 CA VAL A 41 1.913 4.942 -5.873 1.00 0.00 C ATOM 641 C VAL A 41 3.060 4.093 -5.333 1.00 0.00 C ATOM 642 O VAL A 41 3.116 2.886 -5.571 1.00 0.00 O ATOM 643 CB VAL A 41 2.363 5.630 -7.176 1.00 0.00 C ATOM 644 CG1 VAL A 41 1.219 6.429 -7.781 1.00 0.00 C ATOM 645 CG2 VAL A 41 3.570 6.519 -6.923 1.00 0.00 C ATOM 0 H VAL A 41 1.641 6.884 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 41 1.060 4.300 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 41 2.654 4.859 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.556 6.908 -8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.387 5.761 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.893 7.191 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.872 6.996 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.311 7.284 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.393 5.915 -6.541 1.00 0.00 H new ATOM 655 N GLU A 42 3.971 4.730 -4.605 1.00 0.00 N ATOM 656 CA GLU A 42 5.111 4.031 -4.032 1.00 0.00 C ATOM 657 C GLU A 42 4.671 3.135 -2.884 1.00 0.00 C ATOM 658 O GLU A 42 5.135 2.003 -2.745 1.00 0.00 O ATOM 659 CB GLU A 42 6.161 5.031 -3.544 1.00 0.00 C ATOM 660 CG GLU A 42 7.194 5.392 -4.598 1.00 0.00 C ATOM 661 CD GLU A 42 8.529 5.784 -3.996 1.00 0.00 C ATOM 662 OE1 GLU A 42 8.608 6.870 -3.384 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.496 5.005 -4.136 1.00 0.00 O ATOM 0 H GLU A 42 3.940 5.729 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 42 5.553 3.408 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.659 5.940 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.671 4.615 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.337 4.544 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.817 6.216 -5.204 1.00 0.00 H new ATOM 670 N VAL A 43 3.766 3.654 -2.070 1.00 0.00 N ATOM 671 CA VAL A 43 3.243 2.916 -0.931 1.00 0.00 C ATOM 672 C VAL A 43 2.402 1.736 -1.389 1.00 0.00 C ATOM 673 O VAL A 43 2.443 0.659 -0.793 1.00 0.00 O ATOM 674 CB VAL A 43 2.396 3.820 -0.017 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.936 5.060 -0.767 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.212 3.054 0.538 1.00 0.00 C ATOM 0 H VAL A 43 3.376 4.590 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 43 4.100 2.550 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 43 3.016 4.142 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.339 5.686 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.805 5.621 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.334 4.763 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.625 3.709 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.590 2.700 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.569 2.202 1.116 1.00 0.00 H new ATOM 686 N VAL A 44 1.650 1.943 -2.459 1.00 0.00 N ATOM 687 CA VAL A 44 0.807 0.895 -3.011 1.00 0.00 C ATOM 688 C VAL A 44 1.663 -0.281 -3.454 1.00 0.00 C ATOM 689 O VAL A 44 1.282 -1.441 -3.293 1.00 0.00 O ATOM 690 CB VAL A 44 -0.020 1.401 -4.207 1.00 0.00 C ATOM 691 CG1 VAL A 44 -1.051 2.420 -3.753 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.890 1.990 -5.274 1.00 0.00 C ATOM 0 H VAL A 44 1.607 2.829 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 44 0.118 0.581 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.550 0.554 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.625 2.765 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.723 1.960 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.546 3.268 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.288 2.342 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.451 2.825 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.584 1.225 -5.623 1.00 0.00 H new ATOM 702 N PHE A 45 2.831 0.032 -4.001 1.00 0.00 N ATOM 703 CA PHE A 45 3.761 -0.987 -4.458 1.00 0.00 C ATOM 704 C PHE A 45 4.308 -1.767 -3.272 1.00 0.00 C ATOM 705 O PHE A 45 4.593 -2.961 -3.370 1.00 0.00 O ATOM 706 CB PHE A 45 4.908 -0.343 -5.235 1.00 0.00 C ATOM 707 CG PHE A 45 4.996 -0.806 -6.657 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.564 -2.030 -6.962 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.511 -0.018 -7.687 1.00 0.00 C ATOM 710 CE1 PHE A 45 5.648 -2.463 -8.271 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.591 -0.444 -9.000 1.00 0.00 C ATOM 712 CZ PHE A 45 5.161 -1.668 -9.292 1.00 0.00 C ATOM 0 H PHE A 45 3.156 0.989 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 45 3.231 -1.674 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.784 0.740 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.848 -0.564 -4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.946 -2.654 -6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.065 0.940 -7.462 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.093 -3.421 -8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.209 0.179 -9.795 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.226 -2.003 -10.316 1.00 0.00 H new ATOM 722 N ALA A 46 4.441 -1.075 -2.151 1.00 0.00 N ATOM 723 CA ALA A 46 4.944 -1.680 -0.925 1.00 0.00 C ATOM 724 C ALA A 46 4.013 -2.784 -0.444 1.00 0.00 C ATOM 725 O ALA A 46 4.269 -3.970 -0.654 1.00 0.00 O ATOM 726 CB ALA A 46 5.110 -0.620 0.155 1.00 0.00 C ATOM 0 H ALA A 46 4.206 -0.086 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 46 5.917 -2.123 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.486 -1.085 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.816 0.138 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.146 -0.153 0.357 1.00 0.00 H new ATOM 732 N ILE A 47 2.930 -2.378 0.198 1.00 0.00 N ATOM 733 CA ILE A 47 1.946 -3.322 0.708 1.00 0.00 C ATOM 734 C ILE A 47 1.542 -4.320 -0.370 1.00 0.00 C ATOM 735 O ILE A 47 1.406 -5.514 -0.106 1.00 0.00 O ATOM 736 CB ILE A 47 0.686 -2.604 1.225 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.413 -1.346 0.398 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.843 -2.257 2.699 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.372 -0.076 1.219 1.00 0.00 C ATOM 0 H ILE A 47 2.709 -1.399 0.379 1.00 0.00 H new ATOM 0 HA ILE A 47 2.415 -3.851 1.538 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.167 -3.274 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.184 -1.250 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.538 -1.463 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.055 -1.750 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.993 -3.171 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.704 -1.602 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.174 0.774 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.418 -0.151 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.331 0.066 1.718 1.00 0.00 H new ATOM 751 N GLU A 48 1.359 -3.826 -1.589 1.00 0.00 N ATOM 752 CA GLU A 48 0.977 -4.684 -2.703 1.00 0.00 C ATOM 753 C GLU A 48 1.977 -5.818 -2.861 1.00 0.00 C ATOM 754 O GLU A 48 1.611 -6.948 -3.192 1.00 0.00 O ATOM 755 CB GLU A 48 0.892 -3.872 -3.997 1.00 0.00 C ATOM 756 CG GLU A 48 0.874 -4.728 -5.253 1.00 0.00 C ATOM 757 CD GLU A 48 2.170 -5.488 -5.459 1.00 0.00 C ATOM 758 OE1 GLU A 48 3.189 -4.844 -5.783 1.00 0.00 O ATOM 759 OE2 GLU A 48 2.164 -6.727 -5.297 1.00 0.00 O ATOM 0 H GLU A 48 1.468 -2.841 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.005 -5.108 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.009 -3.259 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.741 -3.190 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.047 -5.436 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.688 -4.092 -6.119 1.00 0.00 H new ATOM 766 N GLN A 49 3.240 -5.509 -2.604 1.00 0.00 N ATOM 767 CA GLN A 49 4.304 -6.497 -2.700 1.00 0.00 C ATOM 768 C GLN A 49 4.058 -7.630 -1.713 1.00 0.00 C ATOM 769 O GLN A 49 4.093 -8.804 -2.079 1.00 0.00 O ATOM 770 CB GLN A 49 5.662 -5.847 -2.427 1.00 0.00 C ATOM 771 CG GLN A 49 6.293 -5.218 -3.658 1.00 0.00 C ATOM 772 CD GLN A 49 6.627 -6.237 -4.728 1.00 0.00 C ATOM 773 OE1 GLN A 49 6.814 -7.420 -4.440 1.00 0.00 O ATOM 774 NE2 GLN A 49 6.705 -5.784 -5.974 1.00 0.00 N ATOM 0 H GLN A 49 3.553 -4.579 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 49 4.310 -6.904 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.542 -5.082 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.341 -6.599 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.612 -4.474 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.202 -4.692 -3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.543 -4.796 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.927 -6.424 -6.736 1.00 0.00 H new ATOM 783 N GLU A 50 3.800 -7.268 -0.460 1.00 0.00 N ATOM 784 CA GLU A 50 3.541 -8.250 0.573 1.00 0.00 C ATOM 785 C GLU A 50 2.045 -8.359 0.852 1.00 0.00 C ATOM 786 O GLU A 50 1.627 -8.577 1.989 1.00 0.00 O ATOM 787 CB GLU A 50 4.287 -7.883 1.856 1.00 0.00 C ATOM 788 CG GLU A 50 5.222 -6.696 1.698 1.00 0.00 C ATOM 789 CD GLU A 50 6.590 -6.947 2.301 1.00 0.00 C ATOM 790 OE1 GLU A 50 6.857 -8.096 2.710 1.00 0.00 O ATOM 791 OE2 GLU A 50 7.395 -5.994 2.363 1.00 0.00 O ATOM 0 H GLU A 50 3.766 -6.300 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 50 3.899 -9.217 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.561 -7.661 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.862 -8.746 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.333 -6.464 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.776 -5.821 2.171 1.00 0.00 H new ATOM 798 N PHE A 51 1.244 -8.203 -0.198 1.00 0.00 N ATOM 799 CA PHE A 51 -0.201 -8.279 -0.080 1.00 0.00 C ATOM 800 C PHE A 51 -0.807 -9.152 -1.181 1.00 0.00 C ATOM 801 O PHE A 51 -1.962 -9.564 -1.084 1.00 0.00 O ATOM 802 CB PHE A 51 -0.815 -6.878 -0.127 1.00 0.00 C ATOM 803 CG PHE A 51 -0.836 -6.184 1.205 1.00 0.00 C ATOM 804 CD1 PHE A 51 0.321 -6.069 1.960 1.00 0.00 C ATOM 805 CD2 PHE A 51 -2.012 -5.647 1.701 1.00 0.00 C ATOM 806 CE1 PHE A 51 0.304 -5.430 3.186 1.00 0.00 C ATOM 807 CE2 PHE A 51 -2.035 -5.008 2.927 1.00 0.00 C ATOM 808 CZ PHE A 51 -0.876 -4.899 3.669 1.00 0.00 C ATOM 0 H PHE A 51 1.578 -8.022 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.430 -8.738 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.254 -6.269 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.835 -6.950 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.246 -6.483 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.921 -5.728 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.212 -5.346 3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.959 -4.595 3.304 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.892 -4.399 4.626 1.00 0.00 H new ATOM 818 N ILE A 52 -0.026 -9.430 -2.223 1.00 0.00 N ATOM 819 CA ILE A 52 -0.489 -10.253 -3.332 1.00 0.00 C ATOM 820 C ILE A 52 -1.625 -9.573 -4.089 1.00 0.00 C ATOM 821 O ILE A 52 -2.515 -10.238 -4.619 1.00 0.00 O ATOM 822 CB ILE A 52 -0.965 -11.630 -2.843 1.00 0.00 C ATOM 823 CG1 ILE A 52 -2.406 -11.540 -2.349 1.00 0.00 C ATOM 824 CG2 ILE A 52 -0.050 -12.147 -1.743 1.00 0.00 C ATOM 825 CD1 ILE A 52 -2.565 -11.878 -0.883 1.00 0.00 C ATOM 0 H ILE A 52 0.933 -9.095 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 52 0.359 -10.385 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.927 -12.333 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.779 -10.531 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.026 -12.215 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.400 -13.123 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.966 -12.239 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.059 -11.450 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.615 -11.793 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.223 -12.898 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.972 -11.187 -0.284 1.00 0.00 H new ATOM 837 N LEU A 53 -1.582 -8.248 -4.142 1.00 0.00 N ATOM 838 CA LEU A 53 -2.601 -7.476 -4.839 1.00 0.00 C ATOM 839 C LEU A 53 -2.163 -6.025 -5.006 1.00 0.00 C ATOM 840 O LEU A 53 -1.659 -5.407 -4.068 1.00 0.00 O ATOM 841 CB LEU A 53 -3.929 -7.539 -4.082 1.00 0.00 C ATOM 842 CG LEU A 53 -5.178 -7.443 -4.958 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.140 -8.492 -6.058 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.433 -7.599 -4.113 1.00 0.00 C ATOM 0 H LEU A 53 -0.850 -7.685 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.737 -7.912 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.967 -8.474 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.953 -6.730 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.198 -6.458 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.037 -8.409 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.259 -8.335 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.097 -9.486 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.313 -7.528 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.421 -8.571 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.466 -6.810 -3.361 1.00 0.00 H new ATOM 856 N ASP A 54 -2.354 -5.488 -6.206 1.00 0.00 N ATOM 857 CA ASP A 54 -1.977 -4.115 -6.497 1.00 0.00 C ATOM 858 C ASP A 54 -3.029 -3.137 -5.986 1.00 0.00 C ATOM 859 O ASP A 54 -4.228 -3.410 -6.045 1.00 0.00 O ATOM 860 CB ASP A 54 -1.778 -3.927 -8.002 1.00 0.00 C ATOM 861 CG ASP A 54 -0.868 -4.982 -8.601 1.00 0.00 C ATOM 862 OD1 ASP A 54 -1.189 -6.182 -8.479 1.00 0.00 O ATOM 863 OD2 ASP A 54 0.166 -4.606 -9.193 1.00 0.00 O ATOM 0 H ASP A 54 -2.769 -5.987 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.038 -3.908 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.747 -3.961 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.357 -2.939 -8.190 1.00 0.00 H new ATOM 868 N ILE A 55 -2.571 -1.995 -5.484 1.00 0.00 N ATOM 869 CA ILE A 55 -3.466 -0.976 -4.963 1.00 0.00 C ATOM 870 C ILE A 55 -3.722 0.123 -5.993 1.00 0.00 C ATOM 871 O ILE A 55 -4.771 0.766 -5.979 1.00 0.00 O ATOM 872 CB ILE A 55 -2.905 -0.338 -3.677 1.00 0.00 C ATOM 873 CG1 ILE A 55 -2.318 -1.413 -2.762 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.993 0.443 -2.956 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.137 -2.684 -2.719 1.00 0.00 C ATOM 0 H ILE A 55 -1.581 -1.754 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.407 -1.476 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.108 0.354 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.309 -1.652 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.232 -1.012 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.582 0.888 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.369 1.231 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.809 -0.229 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.661 -3.401 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.139 -2.459 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.202 -3.109 -3.721 1.00 0.00 H new ATOM 887 N PRO A 56 -2.761 0.351 -6.902 1.00 0.00 N ATOM 888 CA PRO A 56 -2.884 1.377 -7.942 1.00 0.00 C ATOM 889 C PRO A 56 -4.219 1.307 -8.673 1.00 0.00 C ATOM 890 O PRO A 56 -5.197 0.771 -8.152 1.00 0.00 O ATOM 891 CB PRO A 56 -1.734 1.051 -8.895 1.00 0.00 C ATOM 892 CG PRO A 56 -0.713 0.386 -8.038 1.00 0.00 C ATOM 893 CD PRO A 56 -1.479 -0.372 -6.987 1.00 0.00 C ATOM 0 HA PRO A 56 -2.842 2.385 -7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.062 0.396 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.335 1.953 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.089 -0.287 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.049 1.120 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.625 -1.414 -7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.955 -0.372 -6.031 1.00 0.00 H new ATOM 901 N ASP A 57 -4.252 1.851 -9.885 1.00 0.00 N ATOM 902 CA ASP A 57 -5.467 1.850 -10.690 1.00 0.00 C ATOM 903 C ASP A 57 -6.596 2.584 -9.973 1.00 0.00 C ATOM 904 O ASP A 57 -6.469 2.950 -8.805 1.00 0.00 O ATOM 905 CB ASP A 57 -5.896 0.415 -11.004 1.00 0.00 C ATOM 906 CG ASP A 57 -4.758 -0.575 -10.846 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.616 -0.232 -11.213 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.011 -1.696 -10.354 1.00 0.00 O ATOM 0 H ASP A 57 -3.451 2.298 -10.331 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.254 2.371 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.716 0.131 -10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.277 0.367 -12.024 1.00 0.00 H new ATOM 913 N HIS A 58 -7.701 2.794 -10.680 1.00 0.00 N ATOM 914 CA HIS A 58 -8.852 3.483 -10.110 1.00 0.00 C ATOM 915 C HIS A 58 -9.242 2.869 -8.770 1.00 0.00 C ATOM 916 O HIS A 58 -10.007 3.456 -8.006 1.00 0.00 O ATOM 917 CB HIS A 58 -10.039 3.429 -11.075 1.00 0.00 C ATOM 918 CG HIS A 58 -9.759 2.660 -12.328 1.00 0.00 C ATOM 919 ND1 HIS A 58 -9.760 3.237 -13.581 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.465 1.352 -12.520 1.00 0.00 C ATOM 921 CE1 HIS A 58 -9.480 2.317 -14.488 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.296 1.166 -13.869 1.00 0.00 N ATOM 0 H HIS A 58 -7.824 2.497 -11.648 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.576 4.525 -9.947 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.891 2.979 -10.565 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.328 4.446 -11.340 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.379 0.596 -11.754 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.413 2.480 -15.554 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.065 0.281 -14.321 1.00 0.00 H new ATOM 931 N ASP A 59 -8.713 1.682 -8.493 1.00 0.00 N ATOM 932 CA ASP A 59 -9.006 0.987 -7.245 1.00 0.00 C ATOM 933 C ASP A 59 -8.508 1.787 -6.046 1.00 0.00 C ATOM 934 O ASP A 59 -9.216 1.938 -5.051 1.00 0.00 O ATOM 935 CB ASP A 59 -8.365 -0.402 -7.249 1.00 0.00 C ATOM 936 CG ASP A 59 -8.292 -1.008 -5.861 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.353 -1.389 -5.323 1.00 0.00 O ATOM 938 OD2 ASP A 59 -7.174 -1.102 -5.312 1.00 0.00 O ATOM 0 H ASP A 59 -8.079 1.181 -9.116 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.088 0.880 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.938 -1.062 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.360 -0.335 -7.667 1.00 0.00 H new ATOM 943 N ALA A 60 -7.284 2.298 -6.148 1.00 0.00 N ATOM 944 CA ALA A 60 -6.693 3.081 -5.074 1.00 0.00 C ATOM 945 C ALA A 60 -7.140 4.535 -5.144 1.00 0.00 C ATOM 946 O ALA A 60 -7.180 5.234 -4.131 1.00 0.00 O ATOM 947 CB ALA A 60 -5.175 2.988 -5.124 1.00 0.00 C ATOM 0 H ALA A 60 -6.684 2.182 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.038 2.669 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.747 3.579 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.870 1.947 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.818 3.371 -6.080 1.00 0.00 H new ATOM 953 N GLU A 61 -7.473 4.983 -6.348 1.00 0.00 N ATOM 954 CA GLU A 61 -7.918 6.353 -6.559 1.00 0.00 C ATOM 955 C GLU A 61 -9.348 6.547 -6.063 1.00 0.00 C ATOM 956 O GLU A 61 -9.742 7.651 -5.689 1.00 0.00 O ATOM 957 CB GLU A 61 -7.825 6.719 -8.041 1.00 0.00 C ATOM 958 CG GLU A 61 -6.467 7.266 -8.449 1.00 0.00 C ATOM 959 CD GLU A 61 -5.319 6.517 -7.802 1.00 0.00 C ATOM 960 OE1 GLU A 61 -4.929 6.888 -6.674 1.00 0.00 O ATOM 961 OE2 GLU A 61 -4.809 5.561 -8.423 1.00 0.00 O ATOM 0 H GLU A 61 -7.443 4.415 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.264 7.011 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.046 5.835 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.590 7.460 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.368 7.210 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.407 8.320 -8.177 1.00 0.00 H new ATOM 968 N LYS A 62 -10.120 5.464 -6.066 1.00 0.00 N ATOM 969 CA LYS A 62 -11.505 5.513 -5.619 1.00 0.00 C ATOM 970 C LYS A 62 -11.588 5.651 -4.103 1.00 0.00 C ATOM 971 O LYS A 62 -12.664 5.531 -3.516 1.00 0.00 O ATOM 972 CB LYS A 62 -12.253 4.256 -6.070 1.00 0.00 C ATOM 973 CG LYS A 62 -12.521 4.212 -7.565 1.00 0.00 C ATOM 974 CD LYS A 62 -12.605 2.783 -8.075 1.00 0.00 C ATOM 975 CE LYS A 62 -13.033 2.735 -9.532 1.00 0.00 C ATOM 976 NZ LYS A 62 -14.473 2.384 -9.676 1.00 0.00 N ATOM 0 H LYS A 62 -9.808 4.543 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.972 6.389 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.674 3.377 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.202 4.197 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.453 4.733 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.728 4.742 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.635 2.298 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.314 2.220 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.847 3.703 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.426 2.003 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.726 2.362 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.646 1.449 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.054 3.096 -9.189 1.00 0.00 H new ATOM 990 N ILE A 63 -10.446 5.903 -3.471 1.00 0.00 N ATOM 991 CA ILE A 63 -10.390 6.055 -2.028 1.00 0.00 C ATOM 992 C ILE A 63 -10.182 7.514 -1.636 1.00 0.00 C ATOM 993 O ILE A 63 -9.261 8.172 -2.119 1.00 0.00 O ATOM 994 CB ILE A 63 -9.263 5.201 -1.414 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.796 4.381 -0.240 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.108 6.086 -0.969 1.00 0.00 C ATOM 997 CD1 ILE A 63 -9.513 2.899 -0.359 1.00 0.00 C ATOM 0 H ILE A 63 -9.546 6.006 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.347 5.711 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.894 4.513 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.353 4.754 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.873 4.532 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.321 5.467 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.713 6.629 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.461 6.797 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.920 2.380 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.979 2.511 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.436 2.737 -0.407 1.00 0.00 H new ATOM 1009 N GLN A 64 -11.045 8.014 -0.758 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.960 9.387 -0.302 1.00 0.00 C ATOM 1011 C GLN A 64 -10.711 9.451 1.201 1.00 0.00 C ATOM 1012 O GLN A 64 -10.463 10.523 1.754 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.241 10.147 -0.655 1.00 0.00 C ATOM 1014 CG GLN A 64 -13.077 9.465 -1.724 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.646 8.137 -1.261 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -13.345 7.088 -1.830 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -14.473 8.177 -0.224 1.00 0.00 N ATOM 0 H GLN A 64 -11.813 7.482 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.117 9.858 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.844 10.265 0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.977 11.148 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.894 10.124 -2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.465 9.304 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.695 9.069 0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.887 7.315 0.132 1.00 0.00 H new ATOM 1026 N SER A 65 -10.779 8.297 1.856 1.00 0.00 N ATOM 1027 CA SER A 65 -10.561 8.224 3.296 1.00 0.00 C ATOM 1028 C SER A 65 -9.379 7.319 3.623 1.00 0.00 C ATOM 1029 O SER A 65 -9.145 6.314 2.954 1.00 0.00 O ATOM 1030 CB SER A 65 -11.821 7.711 3.999 1.00 0.00 C ATOM 1031 OG SER A 65 -11.857 6.296 4.014 1.00 0.00 O ATOM 0 H SER A 65 -10.983 7.401 1.414 1.00 0.00 H new ATOM 0 HA SER A 65 -10.336 9.228 3.655 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.850 8.089 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.706 8.095 3.491 1.00 0.00 H new ATOM 0 HG SER A 65 -12.619 5.994 4.552 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.635 7.692 4.658 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.474 6.928 5.085 1.00 0.00 C ATOM 1039 C ILE A 66 -7.879 5.592 5.701 1.00 0.00 C ATOM 1040 O ILE A 66 -7.200 4.582 5.515 1.00 0.00 O ATOM 1041 CB ILE A 66 -6.633 7.719 6.107 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.199 9.130 6.275 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.178 7.771 5.668 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -7.230 9.926 4.988 1.00 0.00 C ATOM 0 H ILE A 66 -8.819 8.524 5.218 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.876 6.740 4.193 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.680 7.211 7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.211 9.062 6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.601 9.667 7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.597 8.333 6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.784 6.757 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.108 8.260 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.643 10.916 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.217 10.026 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.852 9.411 4.256 1.00 0.00 H new ATOM 1056 N PRO A 67 -8.995 5.568 6.448 1.00 0.00 N ATOM 1057 CA PRO A 67 -9.486 4.347 7.096 1.00 0.00 C ATOM 1058 C PRO A 67 -9.935 3.296 6.087 1.00 0.00 C ATOM 1059 O PRO A 67 -9.454 2.164 6.103 1.00 0.00 O ATOM 1060 CB PRO A 67 -10.674 4.831 7.932 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.106 6.102 7.288 1.00 0.00 C ATOM 1062 CD PRO A 67 -9.863 6.727 6.723 1.00 0.00 C ATOM 0 HA PRO A 67 -8.708 3.862 7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.479 4.097 7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.386 4.993 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.838 5.912 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.580 6.764 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.075 7.295 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.402 7.416 7.431 1.00 0.00 H new ATOM 1070 N ASP A 68 -10.860 3.675 5.211 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.369 2.759 4.196 1.00 0.00 C ATOM 1072 C ASP A 68 -10.244 2.273 3.290 1.00 0.00 C ATOM 1073 O ASP A 68 -10.363 1.237 2.634 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.456 3.440 3.361 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.840 2.899 3.660 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.483 3.404 4.605 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.281 1.972 2.949 1.00 0.00 O ATOM 0 H ASP A 68 -11.272 4.608 5.183 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.800 1.897 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.439 4.513 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.236 3.303 2.302 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.152 3.029 3.259 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.003 2.683 2.436 1.00 0.00 C ATOM 1084 C ALA A 69 -7.295 1.447 2.969 1.00 0.00 C ATOM 1085 O ALA A 69 -7.398 0.359 2.401 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.037 3.855 2.360 1.00 0.00 C ATOM 0 H ALA A 69 -9.040 3.888 3.797 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.363 2.456 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.182 3.582 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.543 4.715 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.693 4.109 3.363 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.573 1.627 4.063 1.00 0.00 N ATOM 1093 CA VAL A 70 -5.835 0.538 4.686 1.00 0.00 C ATOM 1094 C VAL A 70 -6.781 -0.522 5.234 1.00 0.00 C ATOM 1095 O VAL A 70 -6.384 -1.663 5.468 1.00 0.00 O ATOM 1096 CB VAL A 70 -4.938 1.051 5.829 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.668 2.102 6.651 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.483 -0.101 6.711 1.00 0.00 C ATOM 0 H VAL A 70 -6.482 2.523 4.541 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.208 0.096 3.912 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.054 1.514 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.019 2.452 7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.939 2.941 6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.571 1.667 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.851 0.282 7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.354 -0.596 7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.918 -0.816 6.113 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.036 -0.137 5.434 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.042 -1.050 5.951 1.00 0.00 C ATOM 1110 C GLU A 71 -9.437 -2.079 4.897 1.00 0.00 C ATOM 1111 O GLU A 71 -9.559 -3.268 5.190 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.278 -0.276 6.412 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.140 0.317 7.806 1.00 0.00 C ATOM 1114 CD GLU A 71 -11.202 -0.189 8.762 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -12.401 -0.060 8.440 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -10.833 -0.714 9.834 1.00 0.00 O ATOM 0 H GLU A 71 -8.380 0.805 5.245 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.613 -1.576 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.479 0.527 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.141 -0.941 6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.154 0.076 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.201 1.403 7.742 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.636 -1.612 3.667 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.019 -2.491 2.571 1.00 0.00 C ATOM 1125 C TYR A 72 -8.919 -3.500 2.273 1.00 0.00 C ATOM 1126 O TYR A 72 -9.173 -4.702 2.176 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.353 -1.670 1.322 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.445 -1.940 0.143 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.157 -1.426 0.104 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.881 -2.703 -0.933 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.326 -1.665 -0.974 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -9.056 -2.948 -2.014 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.780 -2.426 -2.029 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.955 -2.666 -3.105 1.00 0.00 O ATOM 0 H TYR A 72 -9.538 -0.631 3.407 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.909 -3.044 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.382 -1.877 1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.300 -0.610 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.798 -0.829 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.881 -3.111 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.326 -1.257 -0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.409 -3.545 -2.842 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.153 -2.024 -3.819 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.695 -3.007 2.144 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.551 -3.870 1.870 1.00 0.00 C ATOM 1146 C ILE A 73 -6.317 -4.836 3.021 1.00 0.00 C ATOM 1147 O ILE A 73 -5.860 -5.962 2.826 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.258 -3.064 1.624 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.279 -1.756 2.421 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.074 -2.798 0.137 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.315 -0.514 1.558 1.00 0.00 C ATOM 0 H ILE A 73 -7.467 -2.016 2.224 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.791 -4.423 0.962 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.408 -3.653 1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.149 -1.756 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.397 -1.717 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.158 -2.229 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.008 -3.746 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.924 -2.228 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.328 0.371 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.432 -0.489 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.211 -0.528 0.937 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.636 -4.389 4.224 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.467 -5.215 5.408 1.00 0.00 C ATOM 1165 C ALA A 74 -7.394 -6.422 5.363 1.00 0.00 C ATOM 1166 O ALA A 74 -7.019 -7.528 5.753 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.717 -4.398 6.666 1.00 0.00 C ATOM 0 H ALA A 74 -7.013 -3.459 4.407 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.439 -5.577 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.586 -5.032 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.010 -3.569 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.734 -4.007 6.649 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.609 -6.195 4.888 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.608 -7.247 4.798 1.00 0.00 C ATOM 1175 C GLN A 75 -9.375 -8.138 3.587 1.00 0.00 C ATOM 1176 O GLN A 75 -8.782 -9.211 3.699 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.010 -6.640 4.733 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.038 -5.145 5.002 1.00 0.00 C ATOM 1179 CD GLN A 75 -12.425 -4.639 5.342 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.421 -5.327 5.120 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -12.497 -3.429 5.884 1.00 0.00 N ATOM 0 H GLN A 75 -8.928 -5.284 4.557 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.520 -7.863 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.435 -6.831 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.649 -7.143 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.360 -4.915 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.667 -4.615 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.645 -2.893 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.404 -3.035 6.134 1.00 0.00 H new ATOM 1190 N ASN A 76 -9.852 -7.697 2.435 1.00 0.00 N ATOM 1191 CA ASN A 76 -9.700 -8.469 1.208 1.00 0.00 C ATOM 1192 C ASN A 76 -8.454 -9.347 1.280 1.00 0.00 C ATOM 1193 O ASN A 76 -8.548 -10.574 1.315 1.00 0.00 O ATOM 1194 CB ASN A 76 -9.635 -7.548 -0.007 1.00 0.00 C ATOM 1195 CG ASN A 76 -9.890 -6.104 0.361 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -10.915 -5.775 0.959 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -8.959 -5.232 0.008 1.00 0.00 N ATOM 0 H ASN A 76 -10.346 -6.812 2.321 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.572 -9.114 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.655 -7.635 -0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.370 -7.869 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.076 -4.243 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.125 -5.549 -0.487 1.00 0.00 H new ATOM 1204 N PRO A 77 -7.264 -8.724 1.301 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.991 -9.451 1.368 1.00 0.00 C ATOM 1206 C PRO A 77 -5.881 -10.327 2.614 1.00 0.00 C ATOM 1207 O PRO A 77 -5.308 -11.415 2.563 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.940 -8.336 1.399 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.630 -7.152 0.816 1.00 0.00 C ATOM 1210 CD PRO A 77 -7.062 -7.269 1.254 1.00 0.00 C ATOM 0 HA PRO A 77 -5.875 -10.139 0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.603 -8.137 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.058 -8.606 0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.185 -6.223 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.551 -7.147 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.228 -6.805 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.742 -6.788 0.551 1.00 0.00 H new ATOM 1218 N MET A 78 -6.434 -9.859 3.733 1.00 0.00 N ATOM 1219 CA MET A 78 -6.387 -10.626 4.973 1.00 0.00 C ATOM 1220 C MET A 78 -7.094 -11.965 4.800 1.00 0.00 C ATOM 1221 O MET A 78 -6.882 -12.897 5.575 1.00 0.00 O ATOM 1222 CB MET A 78 -7.035 -9.842 6.116 1.00 0.00 C ATOM 1223 CG MET A 78 -7.553 -10.723 7.240 1.00 0.00 C ATOM 1224 SD MET A 78 -6.305 -11.868 7.857 1.00 0.00 S ATOM 1225 CE MET A 78 -7.309 -12.948 8.874 1.00 0.00 C ATOM 0 H MET A 78 -6.914 -8.962 3.805 1.00 0.00 H new ATOM 0 HA MET A 78 -5.341 -10.808 5.219 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.307 -9.140 6.522 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.860 -9.252 5.718 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.899 -10.093 8.060 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.415 -11.288 6.886 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.677 -13.713 9.326 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.791 -12.365 9.659 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.070 -13.425 8.257 1.00 0.00 H new ATOM 1235 N ALA A 79 -7.936 -12.050 3.776 1.00 0.00 N ATOM 1236 CA ALA A 79 -8.677 -13.263 3.491 1.00 0.00 C ATOM 1237 C ALA A 79 -7.993 -14.082 2.407 1.00 0.00 C ATOM 1238 O ALA A 79 -7.255 -15.025 2.693 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.103 -12.928 3.084 1.00 0.00 C ATOM 0 H ALA A 79 -8.120 -11.284 3.128 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.703 -13.864 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.647 -13.849 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.597 -12.392 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.089 -12.302 2.192 1.00 0.00 H new ATOM 1245 N LYS A 80 -8.246 -13.712 1.161 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.661 -14.403 0.018 1.00 0.00 C ATOM 1247 C LYS A 80 -7.131 -15.775 0.426 1.00 0.00 C ATOM 1248 O LYS A 80 -7.917 -16.745 0.394 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.532 -13.566 -0.587 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.645 -12.082 -0.282 1.00 0.00 C ATOM 1251 CD LYS A 80 -6.123 -11.236 -1.432 1.00 0.00 C ATOM 1252 CE LYS A 80 -6.832 -9.893 -1.502 1.00 0.00 C ATOM 1253 NZ LYS A 80 -5.875 -8.767 -1.687 1.00 0.00 N ATOM 1254 OXT LYS A 80 -5.934 -15.867 0.770 1.00 0.00 O ATOM 0 H LYS A 80 -8.856 -12.933 0.913 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.441 -14.542 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.577 -13.934 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.525 -13.707 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.687 -11.828 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.085 -11.852 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.051 -11.077 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.262 -11.771 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.545 -9.902 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.404 -9.737 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.392 -7.865 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.168 -8.783 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.396 -8.866 -2.605 1.00 0.00 H new