USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -146:sc= -0.258 (180deg=-2.85!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 2 SER OG : rot -28:sc= 0.0941 USER MOD Single : A 3 HIS : no HE2:sc= 0.796 K(o=0.8,f=-2.5!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 74:sc= 0.978 USER MOD Single : A 8 SER OG : rot -15:sc= 0.185 USER MOD Single : A 12 SER OG : rot 73:sc= 0.767 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 152:sc= 0.368 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 100:sc= 0.567 USER MOD Single : A 57 ASN : amide:sc= 0.523 K(o=0.52,f=-0.1) USER MOD Single : A 58 GLN : amide:sc= 0.823 K(o=0.82,f=-0.014) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.225 X(o=0.23,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.014) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 81 HIS : no HE2:sc= 0.43 K(o=0.43,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 16.909 17.478 -5.731 1.00 1.00 N ATOM 9 CA SER A 2 16.139 16.797 -4.674 1.00 1.00 C ATOM 10 C SER A 2 14.854 16.122 -5.173 1.00 1.00 C ATOM 11 O SER A 2 14.512 15.038 -4.703 1.00 1.00 O ATOM 12 CB SER A 2 15.813 17.778 -3.541 1.00 1.00 C ATOM 13 OG SER A 2 15.111 18.910 -4.034 1.00 1.00 O ATOM 0 HA SER A 2 16.779 15.995 -4.306 1.00 1.00 H new ATOM 0 HB2 SER A 2 15.213 17.276 -2.782 1.00 1.00 H new ATOM 0 HB3 SER A 2 16.735 18.100 -3.057 1.00 1.00 H new ATOM 0 HG SER A 2 15.357 19.065 -4.970 1.00 1.00 H new ATOM 19 N HIS A 3 14.179 16.690 -6.176 1.00 1.00 N ATOM 20 CA HIS A 3 12.986 16.093 -6.789 1.00 1.00 C ATOM 21 C HIS A 3 13.256 14.746 -7.487 1.00 1.00 C ATOM 22 O HIS A 3 12.365 13.896 -7.535 1.00 1.00 O ATOM 23 CB HIS A 3 12.345 17.101 -7.751 1.00 1.00 C ATOM 24 CG HIS A 3 11.911 18.389 -7.087 1.00 1.00 C ATOM 25 ND1 HIS A 3 11.482 18.551 -5.787 1.00 1.00 N ATOM 26 CD2 HIS A 3 11.867 19.623 -7.677 1.00 1.00 C ATOM 27 CE1 HIS A 3 11.193 19.849 -5.595 1.00 1.00 C ATOM 28 NE2 HIS A 3 11.410 20.547 -6.726 1.00 1.00 N ATOM 0 H HIS A 3 14.446 17.583 -6.590 1.00 1.00 H new ATOM 0 HA HIS A 3 12.291 15.862 -5.981 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.055 17.334 -8.544 1.00 1.00 H new ATOM 0 HB3 HIS A 3 11.479 16.638 -8.224 1.00 1.00 H new ATOM 0 HD1 HIS A 3 11.398 17.811 -5.090 1.00 1.00 H new ATOM 0 HD2 HIS A 3 12.137 19.847 -8.698 1.00 1.00 H new ATOM 0 HE1 HIS A 3 10.838 20.272 -4.667 1.00 1.00 H new ATOM 36 N MET A 4 14.480 14.500 -7.970 1.00 1.00 N ATOM 37 CA MET A 4 14.880 13.191 -8.510 1.00 1.00 C ATOM 38 C MET A 4 15.056 12.150 -7.396 1.00 1.00 C ATOM 39 O MET A 4 14.666 10.993 -7.565 1.00 1.00 O ATOM 40 CB MET A 4 16.181 13.308 -9.325 1.00 1.00 C ATOM 41 CG MET A 4 16.091 14.310 -10.484 1.00 1.00 C ATOM 42 SD MET A 4 14.820 13.938 -11.727 1.00 1.00 S ATOM 43 CE MET A 4 15.071 15.348 -12.840 1.00 1.00 C ATOM 0 H MET A 4 15.221 15.200 -7.998 1.00 1.00 H new ATOM 0 HA MET A 4 14.078 12.856 -9.167 1.00 1.00 H new ATOM 0 HB2 MET A 4 16.991 13.606 -8.660 1.00 1.00 H new ATOM 0 HB3 MET A 4 16.440 12.327 -9.723 1.00 1.00 H new ATOM 0 HG2 MET A 4 15.896 15.301 -10.073 1.00 1.00 H new ATOM 0 HG3 MET A 4 17.060 14.356 -10.980 1.00 1.00 H new ATOM 0 HE1 MET A 4 14.369 15.285 -13.671 1.00 1.00 H new ATOM 0 HE2 MET A 4 14.904 16.277 -12.294 1.00 1.00 H new ATOM 0 HE3 MET A 4 16.091 15.331 -13.224 1.00 1.00 H new ATOM 53 N LEU A 5 15.586 12.564 -6.237 1.00 1.00 N ATOM 54 CA LEU A 5 15.718 11.721 -5.042 1.00 1.00 C ATOM 55 C LEU A 5 14.350 11.403 -4.410 1.00 1.00 C ATOM 56 O LEU A 5 14.122 10.294 -3.927 1.00 1.00 O ATOM 57 CB LEU A 5 16.647 12.403 -4.017 1.00 1.00 C ATOM 58 CG LEU A 5 18.061 12.723 -4.539 1.00 1.00 C ATOM 59 CD1 LEU A 5 18.851 13.477 -3.469 1.00 1.00 C ATOM 60 CD2 LEU A 5 18.848 11.466 -4.918 1.00 1.00 C ATOM 0 H LEU A 5 15.941 13.511 -6.102 1.00 1.00 H new ATOM 0 HA LEU A 5 16.158 10.772 -5.348 1.00 1.00 H new ATOM 0 HB2 LEU A 5 16.179 13.330 -3.684 1.00 1.00 H new ATOM 0 HB3 LEU A 5 16.735 11.759 -3.142 1.00 1.00 H new ATOM 0 HG LEU A 5 17.933 13.330 -5.435 1.00 1.00 H new ATOM 0 HD11 LEU A 5 19.850 13.700 -3.844 1.00 1.00 H new ATOM 0 HD12 LEU A 5 18.338 14.408 -3.226 1.00 1.00 H new ATOM 0 HD13 LEU A 5 18.929 12.861 -2.573 1.00 1.00 H new ATOM 0 HD21 LEU A 5 19.836 11.751 -5.279 1.00 1.00 H new ATOM 0 HD22 LEU A 5 18.952 10.824 -4.043 1.00 1.00 H new ATOM 0 HD23 LEU A 5 18.317 10.927 -5.702 1.00 1.00 H new ATOM 72 N GLU A 6 13.408 12.349 -4.452 1.00 1.00 N ATOM 73 CA GLU A 6 12.007 12.099 -4.085 1.00 1.00 C ATOM 74 C GLU A 6 11.326 11.138 -5.068 1.00 1.00 C ATOM 75 O GLU A 6 10.631 10.216 -4.642 1.00 1.00 O ATOM 76 CB GLU A 6 11.222 13.419 -4.014 1.00 1.00 C ATOM 77 CG GLU A 6 11.646 14.309 -2.838 1.00 1.00 C ATOM 78 CD GLU A 6 10.898 15.649 -2.864 1.00 1.00 C ATOM 79 OE1 GLU A 6 11.258 16.512 -3.704 1.00 1.00 O ATOM 80 OE2 GLU A 6 9.959 15.818 -2.049 1.00 1.00 O ATOM 0 H GLU A 6 13.592 13.310 -4.741 1.00 1.00 H new ATOM 0 HA GLU A 6 12.008 11.630 -3.101 1.00 1.00 H new ATOM 0 HB2 GLU A 6 11.361 13.968 -4.946 1.00 1.00 H new ATOM 0 HB3 GLU A 6 10.158 13.198 -3.929 1.00 1.00 H new ATOM 0 HG2 GLU A 6 11.446 13.795 -1.898 1.00 1.00 H new ATOM 0 HG3 GLU A 6 12.720 14.487 -2.881 1.00 1.00 H new ATOM 87 N SER A 7 11.567 11.291 -6.375 1.00 1.00 N ATOM 88 CA SER A 7 11.015 10.396 -7.401 1.00 1.00 C ATOM 89 C SER A 7 11.521 8.958 -7.247 1.00 1.00 C ATOM 90 O SER A 7 10.730 8.019 -7.359 1.00 1.00 O ATOM 91 CB SER A 7 11.337 10.902 -8.814 1.00 1.00 C ATOM 92 OG SER A 7 10.739 12.165 -9.054 1.00 1.00 O ATOM 0 H SER A 7 12.150 12.038 -6.752 1.00 1.00 H new ATOM 0 HA SER A 7 9.934 10.396 -7.257 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.417 10.978 -8.939 1.00 1.00 H new ATOM 0 HB3 SER A 7 10.981 10.182 -9.551 1.00 1.00 H new ATOM 0 HG SER A 7 11.230 12.858 -8.565 1.00 1.00 H new ATOM 98 N SER A 8 12.813 8.758 -6.957 1.00 1.00 N ATOM 99 CA SER A 8 13.369 7.422 -6.683 1.00 1.00 C ATOM 100 C SER A 8 12.846 6.810 -5.376 1.00 1.00 C ATOM 101 O SER A 8 12.570 5.609 -5.337 1.00 1.00 O ATOM 102 CB SER A 8 14.901 7.413 -6.738 1.00 1.00 C ATOM 103 OG SER A 8 15.480 8.186 -5.704 1.00 1.00 O ATOM 0 H SER A 8 13.500 9.510 -6.905 1.00 1.00 H new ATOM 0 HA SER A 8 13.010 6.780 -7.487 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.259 6.386 -6.665 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.230 7.797 -7.704 1.00 1.00 H new ATOM 0 HG SER A 8 14.796 8.764 -5.305 1.00 1.00 H new ATOM 109 N ALA A 9 12.638 7.612 -4.323 1.00 1.00 N ATOM 110 CA ALA A 9 12.005 7.156 -3.083 1.00 1.00 C ATOM 111 C ALA A 9 10.532 6.745 -3.291 1.00 1.00 C ATOM 112 O ALA A 9 10.105 5.703 -2.792 1.00 1.00 O ATOM 113 CB ALA A 9 12.137 8.259 -2.025 1.00 1.00 C ATOM 0 H ALA A 9 12.905 8.596 -4.309 1.00 1.00 H new ATOM 0 HA ALA A 9 12.518 6.258 -2.740 1.00 1.00 H new ATOM 0 HB1 ALA A 9 11.669 7.931 -1.097 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.192 8.467 -1.846 1.00 1.00 H new ATOM 0 HB3 ALA A 9 11.644 9.164 -2.380 1.00 1.00 H new ATOM 119 N GLU A 10 9.761 7.514 -4.065 1.00 1.00 N ATOM 120 CA GLU A 10 8.377 7.180 -4.430 1.00 1.00 C ATOM 121 C GLU A 10 8.285 5.938 -5.331 1.00 1.00 C ATOM 122 O GLU A 10 7.397 5.106 -5.144 1.00 1.00 O ATOM 123 CB GLU A 10 7.708 8.383 -5.115 1.00 1.00 C ATOM 124 CG GLU A 10 7.368 9.500 -4.118 1.00 1.00 C ATOM 125 CD GLU A 10 6.812 10.733 -4.841 1.00 1.00 C ATOM 126 OE1 GLU A 10 5.604 10.719 -5.183 1.00 1.00 O ATOM 127 OE2 GLU A 10 7.585 11.700 -5.054 1.00 1.00 O ATOM 0 H GLU A 10 10.082 8.397 -4.462 1.00 1.00 H new ATOM 0 HA GLU A 10 7.850 6.942 -3.506 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.371 8.775 -5.886 1.00 1.00 H new ATOM 0 HB3 GLU A 10 6.797 8.054 -5.615 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.637 9.137 -3.396 1.00 1.00 H new ATOM 0 HG3 GLU A 10 8.261 9.775 -3.557 1.00 1.00 H new ATOM 134 N GLU A 11 9.219 5.750 -6.267 1.00 1.00 N ATOM 135 CA GLU A 11 9.319 4.526 -7.069 1.00 1.00 C ATOM 136 C GLU A 11 9.702 3.306 -6.212 1.00 1.00 C ATOM 137 O GLU A 11 9.157 2.217 -6.401 1.00 1.00 O ATOM 138 CB GLU A 11 10.331 4.762 -8.204 1.00 1.00 C ATOM 139 CG GLU A 11 10.424 3.622 -9.225 1.00 1.00 C ATOM 140 CD GLU A 11 9.141 3.481 -10.058 1.00 1.00 C ATOM 141 OE1 GLU A 11 9.034 4.178 -11.096 1.00 1.00 O ATOM 142 OE2 GLU A 11 8.260 2.680 -9.661 1.00 1.00 O ATOM 0 H GLU A 11 9.931 6.445 -6.491 1.00 1.00 H new ATOM 0 HA GLU A 11 8.342 4.298 -7.495 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.062 5.680 -8.727 1.00 1.00 H new ATOM 0 HB3 GLU A 11 11.317 4.921 -7.767 1.00 1.00 H new ATOM 0 HG2 GLU A 11 11.269 3.801 -9.890 1.00 1.00 H new ATOM 0 HG3 GLU A 11 10.621 2.685 -8.704 1.00 1.00 H new ATOM 149 N SER A 12 10.577 3.485 -5.218 1.00 1.00 N ATOM 150 CA SER A 12 10.908 2.433 -4.247 1.00 1.00 C ATOM 151 C SER A 12 9.700 2.061 -3.381 1.00 1.00 C ATOM 152 O SER A 12 9.457 0.880 -3.139 1.00 1.00 O ATOM 153 CB SER A 12 12.077 2.848 -3.346 1.00 1.00 C ATOM 154 OG SER A 12 13.248 3.092 -4.111 1.00 1.00 O ATOM 0 H SER A 12 11.076 4.361 -5.062 1.00 1.00 H new ATOM 0 HA SER A 12 11.204 1.558 -4.826 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.810 3.745 -2.788 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.273 2.064 -2.615 1.00 1.00 H new ATOM 0 HG SER A 12 13.146 3.931 -4.607 1.00 1.00 H new ATOM 160 N LEU A 13 8.889 3.044 -2.974 1.00 1.00 N ATOM 161 CA LEU A 13 7.629 2.807 -2.265 1.00 1.00 C ATOM 162 C LEU A 13 6.638 2.043 -3.151 1.00 1.00 C ATOM 163 O LEU A 13 6.051 1.066 -2.695 1.00 1.00 O ATOM 164 CB LEU A 13 7.083 4.160 -1.767 1.00 1.00 C ATOM 165 CG LEU A 13 5.843 4.090 -0.849 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.715 5.410 -0.087 1.00 1.00 C ATOM 167 CD2 LEU A 13 4.525 3.885 -1.605 1.00 1.00 C ATOM 0 H LEU A 13 9.091 4.032 -3.129 1.00 1.00 H new ATOM 0 HA LEU A 13 7.794 2.170 -1.396 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.879 4.676 -1.231 1.00 1.00 H new ATOM 0 HB3 LEU A 13 6.835 4.771 -2.635 1.00 1.00 H new ATOM 0 HG LEU A 13 5.999 3.231 -0.196 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.842 5.371 0.564 1.00 1.00 H new ATOM 0 HD12 LEU A 13 6.610 5.571 0.514 1.00 1.00 H new ATOM 0 HD13 LEU A 13 5.602 6.230 -0.796 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.700 3.846 -0.894 1.00 1.00 H new ATOM 0 HD22 LEU A 13 4.369 4.713 -2.296 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.567 2.950 -2.163 1.00 1.00 H new ATOM 179 N ALA A 14 6.492 2.422 -4.424 1.00 1.00 N ATOM 180 CA ALA A 14 5.644 1.706 -5.379 1.00 1.00 C ATOM 181 C ALA A 14 6.093 0.243 -5.580 1.00 1.00 C ATOM 182 O ALA A 14 5.255 -0.655 -5.677 1.00 1.00 O ATOM 183 CB ALA A 14 5.615 2.483 -6.700 1.00 1.00 C ATOM 0 H ALA A 14 6.960 3.236 -4.821 1.00 1.00 H new ATOM 0 HA ALA A 14 4.633 1.649 -4.975 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.986 1.957 -7.418 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.212 3.481 -6.526 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.627 2.565 -7.096 1.00 1.00 H new ATOM 189 N TYR A 15 7.405 -0.017 -5.578 1.00 1.00 N ATOM 190 CA TYR A 15 7.967 -1.371 -5.621 1.00 1.00 C ATOM 191 C TYR A 15 7.644 -2.187 -4.354 1.00 1.00 C ATOM 192 O TYR A 15 7.219 -3.342 -4.459 1.00 1.00 O ATOM 193 CB TYR A 15 9.478 -1.294 -5.868 1.00 1.00 C ATOM 194 CG TYR A 15 10.123 -2.655 -6.034 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.918 -3.381 -7.223 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.889 -3.213 -4.991 1.00 1.00 C ATOM 197 CE1 TYR A 15 10.473 -4.666 -7.369 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.450 -4.497 -5.136 1.00 1.00 C ATOM 199 CZ TYR A 15 11.242 -5.229 -6.328 1.00 1.00 C ATOM 200 OH TYR A 15 11.776 -6.473 -6.477 1.00 1.00 O ATOM 0 H TYR A 15 8.114 0.715 -5.546 1.00 1.00 H new ATOM 0 HA TYR A 15 7.496 -1.903 -6.448 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.664 -0.699 -6.762 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.950 -0.774 -5.035 1.00 1.00 H new ATOM 0 HD1 TYR A 15 9.334 -2.951 -8.024 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.046 -2.656 -4.079 1.00 1.00 H new ATOM 0 HE1 TYR A 15 10.310 -5.223 -8.280 1.00 1.00 H new ATOM 0 HE2 TYR A 15 12.039 -4.922 -4.337 1.00 1.00 H new ATOM 0 HH TYR A 15 12.278 -6.712 -5.670 1.00 1.00 H new ATOM 210 N ARG A 16 7.761 -1.589 -3.155 1.00 1.00 N ATOM 211 CA ARG A 16 7.306 -2.211 -1.893 1.00 1.00 C ATOM 212 C ARG A 16 5.802 -2.473 -1.886 1.00 1.00 C ATOM 213 O ARG A 16 5.368 -3.528 -1.432 1.00 1.00 O ATOM 214 CB ARG A 16 7.665 -1.345 -0.673 1.00 1.00 C ATOM 215 CG ARG A 16 9.175 -1.227 -0.419 1.00 1.00 C ATOM 216 CD ARG A 16 9.476 -0.567 0.935 1.00 1.00 C ATOM 217 NE ARG A 16 8.847 0.760 1.090 1.00 1.00 N ATOM 218 CZ ARG A 16 9.402 1.934 0.832 1.00 1.00 C ATOM 219 NH1 ARG A 16 10.581 2.060 0.281 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.768 3.034 1.129 1.00 1.00 N ATOM 0 H ARG A 16 8.172 -0.664 -3.031 1.00 1.00 H new ATOM 0 HA ARG A 16 7.828 -3.166 -1.827 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.251 -0.347 -0.813 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.189 -1.766 0.212 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.627 -2.218 -0.449 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.633 -0.644 -1.218 1.00 1.00 H new ATOM 0 HD2 ARG A 16 9.130 -1.221 1.735 1.00 1.00 H new ATOM 0 HD3 ARG A 16 10.555 -0.466 1.050 1.00 1.00 H new ATOM 0 HE ARG A 16 7.886 0.774 1.431 1.00 1.00 H new ATOM 0 HH11 ARG A 16 11.118 1.230 0.029 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.964 2.988 0.103 1.00 1.00 H new ATOM 0 HH21 ARG A 16 7.845 2.990 1.560 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.195 3.939 0.930 1.00 1.00 H new ATOM 234 N GLU A 17 5.005 -1.543 -2.408 1.00 1.00 N ATOM 235 CA GLU A 17 3.552 -1.690 -2.516 1.00 1.00 C ATOM 236 C GLU A 17 3.170 -2.840 -3.458 1.00 1.00 C ATOM 237 O GLU A 17 2.298 -3.631 -3.123 1.00 1.00 O ATOM 238 CB GLU A 17 2.921 -0.357 -2.955 1.00 1.00 C ATOM 239 CG GLU A 17 1.412 -0.315 -2.684 1.00 1.00 C ATOM 240 CD GLU A 17 0.794 0.982 -3.210 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.474 1.035 -4.422 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.633 1.925 -2.402 1.00 1.00 O ATOM 0 H GLU A 17 5.352 -0.656 -2.772 1.00 1.00 H new ATOM 0 HA GLU A 17 3.156 -1.949 -1.534 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.406 0.464 -2.428 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.102 -0.204 -4.019 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.930 -1.170 -3.159 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.229 -0.400 -1.613 1.00 1.00 H new ATOM 249 N ASP A 18 3.862 -3.011 -4.588 1.00 1.00 N ATOM 250 CA ASP A 18 3.634 -4.132 -5.510 1.00 1.00 C ATOM 251 C ASP A 18 3.969 -5.509 -4.902 1.00 1.00 C ATOM 252 O ASP A 18 3.388 -6.508 -5.321 1.00 1.00 O ATOM 253 CB ASP A 18 4.425 -3.900 -6.806 1.00 1.00 C ATOM 254 CG ASP A 18 4.006 -4.891 -7.895 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.868 -4.746 -8.401 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.805 -5.798 -8.229 1.00 1.00 O ATOM 0 H ASP A 18 4.599 -2.375 -4.892 1.00 1.00 H new ATOM 0 HA ASP A 18 2.566 -4.157 -5.724 1.00 1.00 H new ATOM 0 HB2 ASP A 18 4.263 -2.881 -7.156 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.492 -4.003 -6.608 1.00 1.00 H new ATOM 273 N LEU A 20 2.960 -6.285 -1.901 1.00 1.00 N ATOM 274 CA LEU A 20 1.691 -6.523 -1.198 1.00 1.00 C ATOM 275 C LEU A 20 0.628 -7.204 -2.091 1.00 1.00 C ATOM 276 O LEU A 20 -0.352 -7.746 -1.581 1.00 1.00 O ATOM 277 CB LEU A 20 1.143 -5.205 -0.613 1.00 1.00 C ATOM 278 CG LEU A 20 2.154 -4.318 0.138 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.487 -3.021 0.600 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.788 -5.014 1.343 1.00 1.00 C ATOM 0 HA LEU A 20 1.907 -7.216 -0.384 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.715 -4.621 -1.428 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.327 -5.446 0.069 1.00 1.00 H new ATOM 0 HG LEU A 20 2.953 -4.102 -0.572 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.215 -2.406 1.129 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.112 -2.476 -0.266 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.658 -3.256 1.267 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.490 -4.335 1.827 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.009 -5.297 2.051 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.318 -5.907 1.010 1.00 1.00 H new ATOM 292 N ARG A 21 0.835 -7.232 -3.417 1.00 1.00 N ATOM 293 CA ARG A 21 -0.010 -7.925 -4.414 1.00 1.00 C ATOM 294 C ARG A 21 -0.023 -9.459 -4.260 1.00 1.00 C ATOM 295 O ARG A 21 -0.853 -10.141 -4.858 1.00 1.00 O ATOM 296 CB ARG A 21 0.470 -7.492 -5.812 1.00 1.00 C ATOM 297 CG ARG A 21 -0.513 -7.780 -6.956 1.00 1.00 C ATOM 298 CD ARG A 21 -0.114 -7.085 -8.270 1.00 1.00 C ATOM 299 NE ARG A 21 1.311 -7.243 -8.611 1.00 1.00 N ATOM 300 CZ ARG A 21 1.925 -8.322 -9.067 1.00 1.00 C ATOM 301 NH1 ARG A 21 1.295 -9.438 -9.330 1.00 1.00 N ATOM 302 NH2 ARG A 21 3.214 -8.298 -9.268 1.00 1.00 N ATOM 0 H ARG A 21 1.627 -6.754 -3.846 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.048 -7.634 -4.255 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.678 -6.422 -5.793 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.412 -7.996 -6.028 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -0.567 -8.856 -7.121 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.510 -7.451 -6.664 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.720 -7.486 -9.082 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.345 -6.023 -8.194 1.00 1.00 H new ATOM 0 HE ARG A 21 1.896 -6.418 -8.479 1.00 1.00 H new ATOM 0 HH11 ARG A 21 0.287 -9.501 -9.185 1.00 1.00 H new ATOM 0 HH12 ARG A 21 1.811 -10.245 -9.680 1.00 1.00 H new ATOM 0 HH21 ARG A 21 3.745 -7.449 -9.074 1.00 1.00 H new ATOM 0 HH22 ARG A 21 3.691 -9.128 -9.620 1.00 1.00 H new ATOM 316 N GLY A 22 0.869 -10.007 -3.429 1.00 1.00 N ATOM 317 CA GLY A 22 0.905 -11.422 -3.038 1.00 1.00 C ATOM 318 C GLY A 22 0.369 -11.689 -1.624 1.00 1.00 C ATOM 319 O GLY A 22 0.710 -12.720 -1.038 1.00 1.00 O ATOM 0 H GLY A 22 1.612 -9.460 -2.994 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.321 -12.002 -3.753 1.00 1.00 H new ATOM 0 HA3 GLY A 22 1.933 -11.780 -3.100 1.00 1.00 H new ATOM 323 N ARG A 23 -0.429 -10.770 -1.054 1.00 1.00 N ATOM 324 CA ARG A 23 -0.877 -10.793 0.353 1.00 1.00 C ATOM 325 C ARG A 23 -2.385 -10.575 0.513 1.00 1.00 C ATOM 326 O ARG A 23 -3.063 -10.035 -0.367 1.00 1.00 O ATOM 327 CB ARG A 23 -0.126 -9.725 1.165 1.00 1.00 C ATOM 328 CG ARG A 23 1.402 -9.814 1.054 1.00 1.00 C ATOM 329 CD ARG A 23 1.997 -8.871 2.096 1.00 1.00 C ATOM 330 NE ARG A 23 3.446 -8.681 1.909 1.00 1.00 N ATOM 331 CZ ARG A 23 4.278 -8.145 2.788 1.00 1.00 C ATOM 332 NH1 ARG A 23 3.903 -7.774 3.984 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.531 -7.961 2.477 1.00 1.00 N ATOM 0 H ARG A 23 -0.791 -9.969 -1.571 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.652 -11.791 0.728 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.447 -8.738 0.832 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.409 -9.815 2.214 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.739 -10.836 1.226 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.730 -9.534 0.053 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.495 -7.905 2.039 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.810 -9.269 3.093 1.00 1.00 H new ATOM 0 HE ARG A 23 3.844 -8.990 1.022 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.932 -7.893 4.274 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.581 -7.365 4.627 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.872 -8.230 1.554 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.170 -7.548 3.156 1.00 1.00 H new ATOM 347 N LEU A 24 -2.890 -10.965 1.683 1.00 1.00 N ATOM 348 CA LEU A 24 -4.255 -10.681 2.132 1.00 1.00 C ATOM 349 C LEU A 24 -4.318 -9.308 2.831 1.00 1.00 C ATOM 350 O LEU A 24 -3.338 -8.820 3.400 1.00 1.00 O ATOM 351 CB LEU A 24 -4.735 -11.774 3.118 1.00 1.00 C ATOM 352 CG LEU A 24 -5.140 -13.156 2.569 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.220 -13.073 1.494 1.00 1.00 C ATOM 354 CD2 LEU A 24 -3.966 -13.960 2.008 1.00 1.00 C ATOM 0 H LEU A 24 -2.349 -11.500 2.362 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.904 -10.670 1.256 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.940 -11.931 3.847 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.591 -11.373 3.661 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.534 -13.676 3.442 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.464 -14.076 1.145 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.113 -12.606 1.910 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.856 -12.477 0.657 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.326 -14.921 1.640 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.505 -13.407 1.190 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.230 -14.126 2.794 1.00 1.00 H new ATOM 366 N GLY A 25 -5.516 -8.736 2.854 1.00 1.00 N ATOM 367 CA GLY A 25 -5.874 -7.493 3.529 1.00 1.00 C ATOM 368 C GLY A 25 -7.267 -7.515 4.171 1.00 1.00 C ATOM 369 O GLY A 25 -7.928 -8.553 4.239 1.00 1.00 O ATOM 0 H GLY A 25 -6.313 -9.153 2.372 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.132 -7.283 4.300 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.828 -6.674 2.811 1.00 1.00 H new ATOM 373 N LYS A 26 -7.708 -6.344 4.639 1.00 1.00 N ATOM 374 CA LYS A 26 -8.886 -6.087 5.473 1.00 1.00 C ATOM 375 C LYS A 26 -9.523 -4.755 5.083 1.00 1.00 C ATOM 376 O LYS A 26 -8.876 -3.712 5.182 1.00 1.00 O ATOM 377 CB LYS A 26 -8.393 -6.056 6.932 1.00 1.00 C ATOM 378 CG LYS A 26 -9.450 -5.741 8.005 1.00 1.00 C ATOM 379 CD LYS A 26 -10.686 -6.653 8.055 1.00 1.00 C ATOM 380 CE LYS A 26 -10.411 -8.115 8.447 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.774 -8.887 7.360 1.00 1.00 N ATOM 0 H LYS A 26 -7.209 -5.480 4.427 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.645 -6.858 5.341 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.949 -7.024 7.163 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.598 -5.315 7.008 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -8.964 -5.775 8.980 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.791 -4.717 7.855 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.399 -6.232 8.764 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.165 -6.641 7.076 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.768 -8.136 9.327 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -11.349 -8.595 8.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -10.108 -9.871 7.391 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -10.024 -8.466 6.443 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -8.741 -8.868 7.480 1.00 1.00 H new ATOM 395 N VAL A 27 -10.771 -4.787 4.621 1.00 1.00 N ATOM 396 CA VAL A 27 -11.549 -3.579 4.263 1.00 1.00 C ATOM 397 C VAL A 27 -11.948 -2.773 5.508 1.00 1.00 C ATOM 398 O VAL A 27 -12.516 -3.333 6.449 1.00 1.00 O ATOM 399 CB VAL A 27 -12.795 -3.936 3.415 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.695 -2.726 3.152 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.345 -4.447 2.047 1.00 1.00 C ATOM 0 H VAL A 27 -11.286 -5.656 4.479 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.899 -2.950 3.654 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.351 -4.683 3.981 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.553 -3.034 2.554 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.042 -2.318 4.101 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -13.132 -1.964 2.614 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -13.219 -4.699 1.447 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.769 -3.672 1.541 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.725 -5.334 2.176 1.00 1.00 H new ATOM 411 N ILE A 28 -11.722 -1.450 5.473 1.00 1.00 N ATOM 412 CA ILE A 28 -12.153 -0.489 6.514 1.00 1.00 C ATOM 413 C ILE A 28 -13.140 0.585 6.015 1.00 1.00 C ATOM 414 O ILE A 28 -13.832 1.202 6.824 1.00 1.00 O ATOM 415 CB ILE A 28 -10.967 0.191 7.236 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.155 1.174 6.347 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.114 -0.857 7.975 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.877 0.614 5.729 1.00 1.00 C ATOM 0 H ILE A 28 -11.223 -1.003 4.704 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.688 -1.113 7.230 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.386 0.853 7.994 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.801 1.524 5.542 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.894 2.045 6.948 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.284 -0.361 8.478 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.729 -1.372 8.713 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.725 -1.580 7.258 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.394 1.386 5.130 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.201 0.292 6.521 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -9.123 -0.237 5.094 1.00 1.00 H new ATOM 430 N THR A 29 -13.255 0.765 4.697 1.00 1.00 N ATOM 431 CA THR A 29 -14.257 1.628 4.046 1.00 1.00 C ATOM 432 C THR A 29 -14.820 0.844 2.871 1.00 1.00 C ATOM 433 O THR A 29 -14.047 0.338 2.059 1.00 1.00 O ATOM 434 CB THR A 29 -13.648 2.963 3.580 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.095 3.652 4.681 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.679 3.893 2.938 1.00 1.00 C ATOM 0 H THR A 29 -12.638 0.303 4.029 1.00 1.00 H new ATOM 0 HA THR A 29 -15.044 1.889 4.753 1.00 1.00 H new ATOM 0 HB THR A 29 -12.891 2.707 2.839 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.355 4.216 4.375 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.192 4.818 2.629 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.117 3.405 2.067 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.464 4.119 3.660 1.00 1.00 H new ATOM 444 N ALA A 30 -16.145 0.699 2.806 1.00 1.00 N ATOM 445 CA ALA A 30 -16.827 -0.199 1.877 1.00 1.00 C ATOM 446 C ALA A 30 -16.428 0.020 0.405 1.00 1.00 C ATOM 447 O ALA A 30 -16.397 1.150 -0.087 1.00 1.00 O ATOM 448 CB ALA A 30 -18.342 -0.063 2.080 1.00 1.00 C ATOM 0 H ALA A 30 -16.785 1.214 3.411 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.512 -1.218 2.103 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.863 -0.729 1.392 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.597 -0.330 3.106 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.644 0.966 1.887 1.00 1.00 H new ATOM 454 N VAL A 31 -16.168 -1.084 -0.297 1.00 1.00 N ATOM 455 CA VAL A 31 -15.729 -1.149 -1.698 1.00 1.00 C ATOM 456 C VAL A 31 -16.868 -1.773 -2.520 1.00 1.00 C ATOM 457 O VAL A 31 -16.995 -2.999 -2.544 1.00 1.00 O ATOM 458 CB VAL A 31 -14.432 -1.983 -1.825 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.925 -1.978 -3.267 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.281 -1.487 -0.941 1.00 1.00 C ATOM 0 H VAL A 31 -16.263 -2.011 0.118 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.505 -0.150 -2.071 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.714 -2.983 -1.496 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.012 -2.570 -3.334 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.684 -2.406 -3.921 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.716 -0.954 -3.576 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.409 -2.124 -1.088 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.031 -0.461 -1.211 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.584 -1.523 0.105 1.00 1.00 H new ATOM 470 N PRO A 32 -17.771 -0.980 -3.126 1.00 1.00 N ATOM 471 CA PRO A 32 -18.899 -1.515 -3.886 1.00 1.00 C ATOM 472 C PRO A 32 -18.483 -2.062 -5.263 1.00 1.00 C ATOM 473 O PRO A 32 -17.351 -1.886 -5.718 1.00 1.00 O ATOM 474 CB PRO A 32 -19.899 -0.360 -3.984 1.00 1.00 C ATOM 475 CG PRO A 32 -18.984 0.851 -4.023 1.00 1.00 C ATOM 476 CD PRO A 32 -17.841 0.472 -3.083 1.00 1.00 C ATOM 0 HA PRO A 32 -19.339 -2.380 -3.390 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.518 -0.432 -4.878 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.575 -0.333 -3.129 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.623 1.048 -5.033 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.497 1.752 -3.686 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.902 0.920 -3.406 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.032 0.826 -2.070 1.00 1.00 H new ATOM 484 N VAL A 33 -19.442 -2.704 -5.939 1.00 1.00 N ATOM 485 CA VAL A 33 -19.259 -3.489 -7.178 1.00 1.00 C ATOM 486 C VAL A 33 -18.573 -2.749 -8.336 1.00 1.00 C ATOM 487 O VAL A 33 -17.926 -3.377 -9.171 1.00 1.00 O ATOM 488 CB VAL A 33 -20.610 -4.068 -7.663 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.298 -4.928 -6.594 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.614 -2.988 -8.094 1.00 1.00 C ATOM 0 H VAL A 33 -20.413 -2.694 -5.628 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.573 -4.286 -6.892 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.340 -4.678 -8.525 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.241 -5.309 -6.985 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.651 -5.764 -6.328 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.491 -4.322 -5.709 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.539 -3.462 -8.423 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.823 -2.329 -7.252 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.193 -2.406 -8.914 1.00 1.00 H new ATOM 500 N ASP A 34 -18.701 -1.423 -8.392 1.00 1.00 N ATOM 501 CA ASP A 34 -18.149 -0.557 -9.444 1.00 1.00 C ATOM 502 C ASP A 34 -17.643 0.780 -8.857 1.00 1.00 C ATOM 503 O ASP A 34 -17.724 1.832 -9.494 1.00 1.00 O ATOM 504 CB ASP A 34 -19.222 -0.381 -10.538 1.00 1.00 C ATOM 505 CG ASP A 34 -18.698 0.320 -11.801 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.607 -0.068 -12.283 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.408 1.221 -12.311 1.00 1.00 O ATOM 0 H ASP A 34 -19.211 -0.899 -7.681 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.272 -1.017 -9.899 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.615 -1.360 -10.812 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -20.054 0.194 -10.131 1.00 1.00 H new ATOM 512 N GLY A 35 -17.161 0.745 -7.608 1.00 1.00 N ATOM 513 CA GLY A 35 -16.748 1.928 -6.838 1.00 1.00 C ATOM 514 C GLY A 35 -15.486 1.720 -5.994 1.00 1.00 C ATOM 515 O GLY A 35 -14.725 0.772 -6.203 1.00 1.00 O ATOM 0 H GLY A 35 -17.044 -0.127 -7.092 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.578 2.755 -7.527 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.566 2.224 -6.181 1.00 1.00 H new ATOM 519 N PHE A 36 -15.276 2.620 -5.029 1.00 1.00 N ATOM 520 CA PHE A 36 -14.039 2.743 -4.251 1.00 1.00 C ATOM 521 C PHE A 36 -14.301 2.760 -2.737 1.00 1.00 C ATOM 522 O PHE A 36 -15.287 3.330 -2.265 1.00 1.00 O ATOM 523 CB PHE A 36 -13.286 4.034 -4.627 1.00 1.00 C ATOM 524 CG PHE A 36 -12.981 4.253 -6.100 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.988 4.713 -6.971 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.679 4.045 -6.595 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.708 4.919 -8.333 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.396 4.262 -7.956 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.412 4.690 -8.827 1.00 1.00 C ATOM 0 H PHE A 36 -15.983 3.304 -4.759 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.437 1.867 -4.492 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.871 4.883 -4.273 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.343 4.047 -4.081 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.980 4.908 -6.591 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.895 3.718 -5.928 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.489 5.253 -9.000 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.397 4.099 -8.332 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.198 4.843 -9.874 1.00 1.00 H new ATOM 539 N GLY A 37 -13.368 2.174 -1.990 1.00 1.00 N ATOM 540 CA GLY A 37 -13.279 2.196 -0.527 1.00 1.00 C ATOM 541 C GLY A 37 -11.818 2.107 -0.083 1.00 1.00 C ATOM 542 O GLY A 37 -10.943 2.665 -0.744 1.00 1.00 O ATOM 0 H GLY A 37 -12.609 1.639 -2.412 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.728 3.112 -0.142 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.845 1.363 -0.109 1.00 1.00 H new ATOM 546 N GLU A 38 -11.530 1.420 1.024 1.00 1.00 N ATOM 547 CA GLU A 38 -10.178 1.327 1.604 1.00 1.00 C ATOM 548 C GLU A 38 -9.881 -0.043 2.231 1.00 1.00 C ATOM 549 O GLU A 38 -10.761 -0.668 2.828 1.00 1.00 O ATOM 550 CB GLU A 38 -9.975 2.385 2.701 1.00 1.00 C ATOM 551 CG GLU A 38 -9.995 3.835 2.222 1.00 1.00 C ATOM 552 CD GLU A 38 -9.755 4.802 3.387 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.583 4.937 3.812 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.749 5.411 3.856 1.00 1.00 O ATOM 0 H GLU A 38 -12.233 0.905 1.553 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.498 1.489 0.767 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.753 2.258 3.454 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.021 2.196 3.193 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.229 3.981 1.460 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.955 4.054 1.755 1.00 1.00 H new ATOM 561 N VAL A 39 -8.611 -0.457 2.162 1.00 1.00 N ATOM 562 CA VAL A 39 -8.055 -1.738 2.635 1.00 1.00 C ATOM 563 C VAL A 39 -6.735 -1.501 3.390 1.00 1.00 C ATOM 564 O VAL A 39 -6.017 -0.539 3.118 1.00 1.00 O ATOM 565 CB VAL A 39 -7.848 -2.696 1.430 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.984 -3.938 1.699 1.00 1.00 C ATOM 567 CG2 VAL A 39 -9.206 -3.226 0.975 1.00 1.00 C ATOM 0 H VAL A 39 -7.891 0.133 1.745 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.757 -2.202 3.328 1.00 1.00 H new ATOM 0 HB VAL A 39 -7.327 -2.087 0.691 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.908 -4.533 0.789 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -5.988 -3.627 2.013 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -7.442 -4.537 2.486 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -9.069 -3.899 0.129 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -9.679 -3.765 1.795 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -9.840 -2.392 0.675 1.00 1.00 H new ATOM 577 N VAL A 40 -6.386 -2.422 4.291 1.00 1.00 N ATOM 578 CA VAL A 40 -5.080 -2.532 4.982 1.00 1.00 C ATOM 579 C VAL A 40 -4.575 -3.964 4.813 1.00 1.00 C ATOM 580 O VAL A 40 -5.385 -4.884 4.827 1.00 1.00 O ATOM 581 CB VAL A 40 -5.179 -2.282 6.509 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.829 -1.827 7.070 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.211 -1.233 6.899 1.00 1.00 C ATOM 0 H VAL A 40 -7.035 -3.154 4.580 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.422 -1.781 4.545 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.489 -3.239 6.929 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.920 -1.657 8.143 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.080 -2.598 6.887 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.525 -0.902 6.580 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.219 -1.116 7.983 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -5.956 -0.281 6.433 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.198 -1.550 6.561 1.00 1.00 H new ATOM 593 N ILE A 41 -3.268 -4.191 4.683 1.00 1.00 N ATOM 594 CA ILE A 41 -2.701 -5.556 4.665 1.00 1.00 C ATOM 595 C ILE A 41 -2.772 -6.179 6.068 1.00 1.00 C ATOM 596 O ILE A 41 -2.705 -5.472 7.073 1.00 1.00 O ATOM 597 CB ILE A 41 -1.266 -5.510 4.101 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.259 -5.009 2.644 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.499 -6.843 4.187 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.074 -5.815 1.625 1.00 1.00 C ATOM 0 H ILE A 41 -2.573 -3.450 4.588 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.288 -6.199 4.009 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.739 -4.808 4.747 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.628 -3.983 2.637 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.225 -4.978 2.302 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.499 -6.716 3.768 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.418 -7.150 5.230 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.034 -7.608 3.624 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -1.983 -5.355 0.641 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.697 -6.837 1.584 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.122 -5.827 1.925 1.00 1.00 H new ATOM 612 N GLU A 42 -2.904 -7.508 6.141 1.00 1.00 N ATOM 613 CA GLU A 42 -3.199 -8.270 7.375 1.00 1.00 C ATOM 614 C GLU A 42 -2.203 -8.095 8.545 1.00 1.00 C ATOM 615 O GLU A 42 -2.548 -8.405 9.686 1.00 1.00 O ATOM 616 CB GLU A 42 -3.348 -9.767 7.036 1.00 1.00 C ATOM 617 CG GLU A 42 -4.706 -10.130 6.420 1.00 1.00 C ATOM 618 CD GLU A 42 -5.836 -10.120 7.457 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.052 -11.173 8.104 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.483 -9.059 7.609 1.00 1.00 O ATOM 0 H GLU A 42 -2.807 -8.108 5.322 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.131 -7.842 7.746 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.557 -10.054 6.343 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.203 -10.352 7.944 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -4.941 -9.425 5.623 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.643 -11.118 5.964 1.00 1.00 H new ATOM 681 N ILE A 48 -0.129 -0.241 6.595 1.00 1.00 N ATOM 682 CA ILE A 48 -0.689 1.093 6.297 1.00 1.00 C ATOM 683 C ILE A 48 -1.886 0.952 5.339 1.00 1.00 C ATOM 684 O ILE A 48 -1.849 0.149 4.402 1.00 1.00 O ATOM 685 CB ILE A 48 0.424 2.008 5.715 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.562 2.216 6.748 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.140 3.367 5.258 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.762 3.027 6.239 1.00 1.00 C ATOM 0 HA ILE A 48 -1.055 1.560 7.212 1.00 1.00 H new ATOM 0 HB ILE A 48 0.834 1.505 4.839 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.150 2.717 7.624 1.00 1.00 H new ATOM 0 HG13 ILE A 48 1.916 1.239 7.077 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.667 3.980 4.857 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.893 3.208 4.486 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.594 3.877 6.108 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.503 3.118 7.033 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.207 2.520 5.383 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.429 4.020 5.939 1.00 1.00 H new ATOM 700 N SER A 49 -2.958 1.714 5.581 1.00 1.00 N ATOM 701 CA SER A 49 -4.174 1.729 4.750 1.00 1.00 C ATOM 702 C SER A 49 -3.961 2.380 3.373 1.00 1.00 C ATOM 703 O SER A 49 -3.148 3.295 3.214 1.00 1.00 O ATOM 704 CB SER A 49 -5.316 2.455 5.480 1.00 1.00 C ATOM 705 OG SER A 49 -4.908 3.737 5.934 1.00 1.00 O ATOM 0 H SER A 49 -3.009 2.352 6.375 1.00 1.00 H new ATOM 0 HA SER A 49 -4.435 0.684 4.581 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.170 2.559 4.810 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.647 1.855 6.328 1.00 1.00 H new ATOM 0 HG SER A 49 -5.655 4.175 6.392 1.00 1.00 H new ATOM 711 N LYS A 50 -4.734 1.931 2.378 1.00 1.00 N ATOM 712 CA LYS A 50 -4.738 2.421 0.985 1.00 1.00 C ATOM 713 C LYS A 50 -6.162 2.410 0.415 1.00 1.00 C ATOM 714 O LYS A 50 -7.020 1.666 0.899 1.00 1.00 O ATOM 715 CB LYS A 50 -3.851 1.515 0.107 1.00 1.00 C ATOM 716 CG LYS A 50 -2.376 1.373 0.528 1.00 1.00 C ATOM 717 CD LYS A 50 -1.562 2.653 0.301 1.00 1.00 C ATOM 718 CE LYS A 50 -0.124 2.442 0.784 1.00 1.00 C ATOM 719 NZ LYS A 50 0.714 3.623 0.495 1.00 1.00 N ATOM 0 H LYS A 50 -5.408 1.180 2.524 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.352 3.440 0.982 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.296 0.520 0.086 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.878 1.898 -0.913 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.329 1.102 1.583 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.921 0.556 -0.032 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.566 2.915 -0.757 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.018 3.485 0.837 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.123 2.245 1.856 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.301 1.564 0.298 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.683 3.452 0.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.730 3.795 -0.531 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.320 4.455 0.979 1.00 1.00 H new ATOM 733 N SER A 51 -6.411 3.191 -0.636 1.00 1.00 N ATOM 734 CA SER A 51 -7.657 3.123 -1.416 1.00 1.00 C ATOM 735 C SER A 51 -7.779 1.779 -2.141 1.00 1.00 C ATOM 736 O SER A 51 -6.771 1.167 -2.501 1.00 1.00 O ATOM 737 CB SER A 51 -7.719 4.263 -2.440 1.00 1.00 C ATOM 738 OG SER A 51 -7.652 5.520 -1.782 1.00 1.00 O ATOM 0 H SER A 51 -5.754 3.893 -0.976 1.00 1.00 H new ATOM 0 HA SER A 51 -8.488 3.223 -0.718 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.895 4.171 -3.148 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.642 4.195 -3.015 1.00 1.00 H new ATOM 0 HG SER A 51 -7.691 6.239 -2.446 1.00 1.00 H new ATOM 744 N ALA A 52 -9.008 1.320 -2.380 1.00 1.00 N ATOM 745 CA ALA A 52 -9.278 0.006 -2.969 1.00 1.00 C ATOM 746 C ALA A 52 -10.518 -0.017 -3.890 1.00 1.00 C ATOM 747 O ALA A 52 -11.484 0.708 -3.647 1.00 1.00 O ATOM 748 CB ALA A 52 -9.436 -1.002 -1.823 1.00 1.00 C ATOM 0 H ALA A 52 -9.851 1.853 -2.169 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.438 -0.256 -3.612 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.638 -1.991 -2.234 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.518 -1.033 -1.237 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.265 -0.699 -1.183 1.00 1.00 H new ATOM 754 N VAL A 53 -10.510 -0.901 -4.896 1.00 1.00 N ATOM 755 CA VAL A 53 -11.625 -1.207 -5.824 1.00 1.00 C ATOM 756 C VAL A 53 -11.892 -2.716 -5.909 1.00 1.00 C ATOM 757 O VAL A 53 -10.992 -3.520 -5.656 1.00 1.00 O ATOM 758 CB VAL A 53 -11.375 -0.659 -7.248 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.219 0.861 -7.237 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.163 -1.270 -7.969 1.00 1.00 C ATOM 0 H VAL A 53 -9.681 -1.458 -5.102 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.500 -0.707 -5.409 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.263 -0.955 -7.807 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -11.044 1.216 -8.253 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.128 1.317 -6.844 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.373 1.135 -6.606 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -10.067 -0.825 -8.960 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.259 -1.072 -7.393 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.302 -2.347 -8.067 1.00 1.00 H new ATOM 770 N SER A 54 -13.108 -3.125 -6.295 1.00 1.00 N ATOM 771 CA SER A 54 -13.414 -4.541 -6.556 1.00 1.00 C ATOM 772 C SER A 54 -12.833 -4.994 -7.900 1.00 1.00 C ATOM 773 O SER A 54 -13.174 -4.449 -8.952 1.00 1.00 O ATOM 774 CB SER A 54 -14.922 -4.809 -6.540 1.00 1.00 C ATOM 775 OG SER A 54 -15.120 -6.212 -6.640 1.00 1.00 O ATOM 0 H SER A 54 -13.898 -2.495 -6.434 1.00 1.00 H new ATOM 0 HA SER A 54 -12.951 -5.114 -5.753 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.367 -4.426 -5.622 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.409 -4.295 -7.369 1.00 1.00 H new ATOM 0 HG SER A 54 -15.301 -6.581 -5.750 1.00 1.00 H new ATOM 781 N PHE A 55 -11.975 -6.017 -7.874 1.00 1.00 N ATOM 782 CA PHE A 55 -11.485 -6.703 -9.078 1.00 1.00 C ATOM 783 C PHE A 55 -12.504 -7.703 -9.660 1.00 1.00 C ATOM 784 O PHE A 55 -12.403 -8.091 -10.825 1.00 1.00 O ATOM 785 CB PHE A 55 -10.185 -7.432 -8.723 1.00 1.00 C ATOM 786 CG PHE A 55 -9.401 -7.955 -9.918 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.587 -7.083 -10.667 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.463 -9.318 -10.269 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.829 -7.572 -11.746 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.704 -9.807 -11.349 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.884 -8.935 -12.085 1.00 1.00 C ATOM 0 H PHE A 55 -11.595 -6.399 -7.008 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.318 -5.950 -9.849 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.547 -6.753 -8.156 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.422 -8.269 -8.067 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.545 -6.034 -10.412 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.095 -9.990 -9.708 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.204 -6.900 -12.315 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.752 -10.853 -11.612 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.297 -9.311 -12.910 1.00 1.00 H new ATOM 801 N ASP A 56 -13.503 -8.109 -8.868 1.00 1.00 N ATOM 802 CA ASP A 56 -14.431 -9.208 -9.176 1.00 1.00 C ATOM 803 C ASP A 56 -15.904 -8.752 -9.271 1.00 1.00 C ATOM 804 O ASP A 56 -16.812 -9.583 -9.317 1.00 1.00 O ATOM 805 CB ASP A 56 -14.206 -10.320 -8.136 1.00 1.00 C ATOM 806 CG ASP A 56 -14.891 -11.644 -8.507 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.587 -12.171 -9.604 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.694 -12.146 -7.686 1.00 1.00 O ATOM 0 H ASP A 56 -13.695 -7.670 -7.968 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.218 -9.595 -10.172 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.136 -10.492 -8.023 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.579 -9.984 -7.168 1.00 1.00 H new ATOM 813 N ASN A 57 -16.143 -7.435 -9.317 1.00 1.00 N ATOM 814 CA ASN A 57 -17.464 -6.799 -9.390 1.00 1.00 C ATOM 815 C ASN A 57 -18.405 -7.230 -8.238 1.00 1.00 C ATOM 816 O ASN A 57 -19.589 -7.504 -8.438 1.00 1.00 O ATOM 817 CB ASN A 57 -18.003 -6.979 -10.831 1.00 1.00 C ATOM 818 CG ASN A 57 -19.316 -6.275 -11.143 1.00 1.00 C ATOM 819 OD1 ASN A 57 -20.294 -6.885 -11.553 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.381 -4.968 -11.022 1.00 1.00 N ATOM 0 H ASN A 57 -15.385 -6.753 -9.304 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.392 -5.726 -9.213 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -17.246 -6.620 -11.529 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -18.131 -8.045 -11.020 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -20.239 -4.475 -11.269 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -18.573 -4.447 -10.681 1.00 1.00 H new ATOM 827 N GLN A 58 -17.860 -7.286 -7.018 1.00 1.00 N ATOM 828 CA GLN A 58 -18.555 -7.657 -5.775 1.00 1.00 C ATOM 829 C GLN A 58 -18.595 -6.477 -4.794 1.00 1.00 C ATOM 830 O GLN A 58 -17.698 -5.635 -4.787 1.00 1.00 O ATOM 831 CB GLN A 58 -17.846 -8.842 -5.091 1.00 1.00 C ATOM 832 CG GLN A 58 -17.657 -10.087 -5.967 1.00 1.00 C ATOM 833 CD GLN A 58 -18.955 -10.613 -6.581 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.930 -10.900 -5.898 1.00 1.00 O ATOM 835 NE2 GLN A 58 -19.023 -10.757 -7.887 1.00 1.00 N ATOM 0 H GLN A 58 -16.877 -7.064 -6.860 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.573 -7.940 -6.043 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.867 -8.509 -4.746 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.417 -9.124 -4.206 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.956 -9.853 -6.768 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -17.204 -10.876 -5.367 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.219 -10.522 -8.469 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.880 -11.104 -8.318 1.00 1.00 H new ATOM 844 N GLN A 59 -19.620 -6.422 -3.937 1.00 1.00 N ATOM 845 CA GLN A 59 -19.665 -5.465 -2.829 1.00 1.00 C ATOM 846 C GLN A 59 -18.867 -6.024 -1.640 1.00 1.00 C ATOM 847 O GLN A 59 -19.055 -7.177 -1.245 1.00 1.00 O ATOM 848 CB GLN A 59 -21.125 -5.177 -2.433 1.00 1.00 C ATOM 849 CG GLN A 59 -21.266 -3.816 -1.727 1.00 1.00 C ATOM 850 CD GLN A 59 -22.589 -3.705 -0.967 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.655 -3.540 -1.545 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.583 -3.788 0.349 1.00 1.00 N ATOM 0 H GLN A 59 -20.434 -7.034 -3.991 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.213 -4.523 -3.140 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.753 -5.192 -3.324 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.486 -5.967 -1.775 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.436 -3.678 -1.034 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.202 -3.016 -2.464 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -21.704 -3.925 0.847 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.458 -3.715 0.869 1.00 1.00 H new ATOM 861 N ILE A 60 -17.993 -5.203 -1.059 1.00 1.00 N ATOM 862 CA ILE A 60 -17.084 -5.577 0.029 1.00 1.00 C ATOM 863 C ILE A 60 -17.221 -4.555 1.157 1.00 1.00 C ATOM 864 O ILE A 60 -16.577 -3.507 1.161 1.00 1.00 O ATOM 865 CB ILE A 60 -15.616 -5.755 -0.443 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.460 -6.248 -1.904 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.967 -6.739 0.537 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.008 -6.306 -2.394 1.00 1.00 C ATOM 0 H ILE A 60 -17.893 -4.228 -1.340 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.371 -6.560 0.403 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.129 -4.780 -0.444 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.901 -7.241 -1.990 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.028 -5.589 -2.561 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.928 -6.903 0.253 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -15.007 -6.328 1.546 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.504 -7.687 0.510 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.986 -6.660 -3.425 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.567 -5.311 -2.343 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.438 -6.988 -1.763 1.00 1.00 H new ATOM 880 N SER A 61 -18.143 -4.825 2.078 1.00 1.00 N ATOM 881 CA SER A 61 -18.384 -4.011 3.275 1.00 1.00 C ATOM 882 C SER A 61 -17.217 -4.081 4.281 1.00 1.00 C ATOM 883 O SER A 61 -16.318 -4.919 4.165 1.00 1.00 O ATOM 884 CB SER A 61 -19.693 -4.466 3.936 1.00 1.00 C ATOM 885 OG SER A 61 -20.766 -4.391 3.004 1.00 1.00 O ATOM 0 H SER A 61 -18.760 -5.635 2.015 1.00 1.00 H new ATOM 0 HA SER A 61 -18.463 -2.969 2.965 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.589 -5.488 4.300 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.909 -3.840 4.801 1.00 1.00 H new ATOM 0 HG SER A 61 -21.595 -4.685 3.436 1.00 1.00 H new ATOM 891 N TYR A 62 -17.247 -3.209 5.294 1.00 1.00 N ATOM 892 CA TYR A 62 -16.311 -3.197 6.429 1.00 1.00 C ATOM 893 C TYR A 62 -16.127 -4.582 7.087 1.00 1.00 C ATOM 894 O TYR A 62 -17.095 -5.325 7.275 1.00 1.00 O ATOM 895 CB TYR A 62 -16.839 -2.186 7.467 1.00 1.00 C ATOM 896 CG TYR A 62 -16.112 -2.192 8.804 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.535 -3.052 9.839 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.011 -1.342 9.012 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.843 -3.077 11.065 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.314 -1.363 10.236 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.728 -2.235 11.268 1.00 1.00 C ATOM 902 OH TYR A 62 -14.065 -2.265 12.456 1.00 1.00 O ATOM 0 H TYR A 62 -17.945 -2.467 5.351 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.328 -2.912 6.054 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.775 -1.185 7.041 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.895 -2.390 7.645 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -17.392 -3.693 9.691 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -14.698 -0.669 8.228 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -16.166 -3.742 11.852 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.464 -0.713 10.385 1.00 1.00 H new ATOM 0 HH TYR A 62 -13.322 -1.626 12.432 1.00 1.00 H new ATOM 912 N GLY A 63 -14.891 -4.905 7.487 1.00 1.00 N ATOM 913 CA GLY A 63 -14.601 -6.070 8.329 1.00 1.00 C ATOM 914 C GLY A 63 -14.610 -7.440 7.640 1.00 1.00 C ATOM 915 O GLY A 63 -15.124 -8.398 8.223 1.00 1.00 O ATOM 0 H GLY A 63 -14.063 -4.365 7.235 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.621 -5.925 8.784 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.329 -6.093 9.140 1.00 1.00 H new ATOM 919 N THR A 64 -14.036 -7.570 6.436 1.00 1.00 N ATOM 920 CA THR A 64 -13.804 -8.884 5.795 1.00 1.00 C ATOM 921 C THR A 64 -12.399 -9.016 5.208 1.00 1.00 C ATOM 922 O THR A 64 -11.727 -8.016 4.940 1.00 1.00 O ATOM 923 CB THR A 64 -14.875 -9.201 4.740 1.00 1.00 C ATOM 924 OG1 THR A 64 -14.885 -10.593 4.511 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.659 -8.507 3.400 1.00 1.00 C ATOM 0 H THR A 64 -13.719 -6.777 5.878 1.00 1.00 H new ATOM 0 HA THR A 64 -13.886 -9.625 6.590 1.00 1.00 H new ATOM 0 HB THR A 64 -15.818 -8.832 5.142 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.566 -10.809 3.840 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.459 -8.785 2.713 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.664 -7.427 3.545 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.700 -8.813 2.982 1.00 1.00 H new ATOM 933 N THR A 65 -11.946 -10.257 5.022 1.00 1.00 N ATOM 934 CA THR A 65 -10.605 -10.586 4.516 1.00 1.00 C ATOM 935 C THR A 65 -10.618 -10.684 2.994 1.00 1.00 C ATOM 936 O THR A 65 -11.410 -11.422 2.400 1.00 1.00 O ATOM 937 CB THR A 65 -10.064 -11.888 5.128 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.162 -11.830 6.535 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.590 -12.116 4.788 1.00 1.00 C ATOM 0 H THR A 65 -12.511 -11.082 5.222 1.00 1.00 H new ATOM 0 HA THR A 65 -9.937 -9.778 4.816 1.00 1.00 H new ATOM 0 HB THR A 65 -10.660 -12.701 4.714 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.818 -12.662 6.921 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.252 -13.048 5.242 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.471 -12.175 3.706 1.00 1.00 H new ATOM 0 HG23 THR A 65 -7.995 -11.288 5.174 1.00 1.00 H new ATOM 947 N VAL A 66 -9.708 -9.951 2.360 1.00 1.00 N ATOM 948 CA VAL A 66 -9.644 -9.739 0.908 1.00 1.00 C ATOM 949 C VAL A 66 -8.256 -10.084 0.377 1.00 1.00 C ATOM 950 O VAL A 66 -7.262 -9.851 1.054 1.00 1.00 O ATOM 951 CB VAL A 66 -10.016 -8.283 0.549 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.480 -7.972 0.870 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.170 -7.215 1.262 1.00 1.00 C ATOM 0 H VAL A 66 -8.962 -9.466 2.859 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.369 -10.402 0.435 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.820 -8.230 -0.522 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.700 -6.938 0.602 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.127 -8.639 0.301 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.657 -8.116 1.936 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.499 -6.223 0.952 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.290 -7.316 2.341 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.120 -7.348 1.000 1.00 1.00 H new ATOM 963 N LEU A 67 -8.159 -10.628 -0.832 1.00 1.00 N ATOM 964 CA LEU A 67 -6.887 -10.839 -1.529 1.00 1.00 C ATOM 965 C LEU A 67 -6.631 -9.650 -2.465 1.00 1.00 C ATOM 966 O LEU A 67 -7.494 -9.306 -3.276 1.00 1.00 O ATOM 967 CB LEU A 67 -6.964 -12.185 -2.276 1.00 1.00 C ATOM 968 CG LEU A 67 -5.734 -12.526 -3.141 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.476 -12.750 -2.299 1.00 1.00 C ATOM 970 CD2 LEU A 67 -6.000 -13.802 -3.937 1.00 1.00 C ATOM 0 H LEU A 67 -8.970 -10.940 -1.366 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.047 -10.890 -0.836 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.106 -12.981 -1.545 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.847 -12.178 -2.915 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.566 -11.675 -3.801 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.637 -12.987 -2.954 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.251 -11.846 -1.734 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.643 -13.577 -1.609 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -5.128 -14.039 -4.547 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.197 -14.625 -3.250 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.865 -13.654 -4.583 1.00 1.00 H new ATOM 982 N VAL A 68 -5.462 -9.013 -2.349 1.00 1.00 N ATOM 983 CA VAL A 68 -5.078 -7.840 -3.158 1.00 1.00 C ATOM 984 C VAL A 68 -4.539 -8.294 -4.523 1.00 1.00 C ATOM 985 O VAL A 68 -3.335 -8.343 -4.761 1.00 1.00 O ATOM 986 CB VAL A 68 -4.088 -6.931 -2.397 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.864 -5.622 -3.155 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.623 -6.569 -1.003 1.00 1.00 C ATOM 0 H VAL A 68 -4.743 -9.297 -1.684 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.964 -7.232 -3.342 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.155 -7.488 -2.307 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.164 -4.996 -2.602 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.456 -5.838 -4.142 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.813 -5.097 -3.262 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.904 -5.929 -0.492 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.572 -6.042 -1.103 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.774 -7.480 -0.423 1.00 1.00 H new ATOM 998 N VAL A 69 -5.444 -8.720 -5.403 1.00 1.00 N ATOM 999 CA VAL A 69 -5.144 -9.363 -6.696 1.00 1.00 C ATOM 1000 C VAL A 69 -4.465 -8.455 -7.734 1.00 1.00 C ATOM 1001 O VAL A 69 -3.778 -8.965 -8.620 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.409 -10.004 -7.301 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.779 -11.282 -6.544 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.625 -9.073 -7.283 1.00 1.00 C ATOM 0 H VAL A 69 -6.446 -8.627 -5.235 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.411 -10.133 -6.455 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.160 -10.222 -8.340 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.674 -11.720 -6.985 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.957 -11.994 -6.609 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.970 -11.043 -5.498 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.481 -9.584 -7.723 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.856 -8.796 -6.254 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.404 -8.175 -7.859 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.592 -7.129 -7.629 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.813 -6.169 -8.430 1.00 1.00 C ATOM 1016 C ASP A 70 -3.568 -4.864 -7.647 1.00 1.00 C ATOM 1017 O ASP A 70 -4.219 -4.622 -6.631 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.501 -5.901 -9.788 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.507 -5.760 -10.949 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.382 -5.258 -10.710 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.874 -6.147 -12.083 1.00 1.00 O ATOM 0 H ASP A 70 -5.243 -6.684 -6.982 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.838 -6.610 -8.637 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.192 -6.716 -10.006 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.096 -4.990 -9.714 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.630 -4.022 -8.088 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.219 -2.785 -7.396 1.00 1.00 C ATOM 1028 C ILE A 71 -1.845 -1.702 -8.420 1.00 1.00 C ATOM 1029 O ILE A 71 -1.136 -1.971 -9.392 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.047 -3.080 -6.418 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.512 -4.056 -5.311 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.499 -1.794 -5.777 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.562 -4.271 -4.133 1.00 1.00 C ATOM 0 H ILE A 71 -2.119 -4.180 -8.957 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.055 -2.409 -6.807 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.243 -3.535 -6.997 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.463 -3.695 -4.918 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.705 -5.025 -5.772 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.318 -2.044 -5.101 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.133 -1.126 -6.557 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.293 -1.299 -5.218 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.007 -4.976 -3.431 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.385 -4.670 -4.497 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.385 -3.320 -3.630 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.305 -0.469 -8.182 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.121 0.691 -9.057 1.00 1.00 C ATOM 1047 C ASN A 72 -1.835 1.969 -8.235 1.00 1.00 C ATOM 1048 O ASN A 72 -2.743 2.756 -7.959 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.360 0.800 -9.971 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.195 1.831 -11.076 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -2.977 1.509 -12.236 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -3.284 3.101 -10.757 1.00 1.00 N ATOM 0 H ASN A 72 -2.837 -0.244 -7.341 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.243 0.567 -9.691 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.562 -0.174 -10.417 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.229 1.060 -9.366 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.172 3.816 -11.475 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.466 3.373 -9.791 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.569 2.177 -7.852 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.034 3.414 -7.250 1.00 1.00 C ATOM 1061 C ASN A 73 -0.912 4.034 -6.130 1.00 1.00 C ATOM 1062 O ASN A 73 -1.272 5.212 -6.167 1.00 1.00 O ATOM 1063 CB ASN A 73 0.313 4.382 -8.403 1.00 1.00 C ATOM 1064 CG ASN A 73 1.161 5.572 -7.969 1.00 1.00 C ATOM 1065 OD1 ASN A 73 0.754 6.723 -8.030 1.00 1.00 O ATOM 1066 ND2 ASN A 73 2.383 5.338 -7.539 1.00 1.00 N ATOM 0 H ASN A 73 0.146 1.457 -7.956 1.00 1.00 H new ATOM 0 HA ASN A 73 0.871 3.172 -6.693 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.845 3.832 -9.180 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.612 4.749 -8.848 1.00 1.00 H new ATOM 0 HD21 ASN A 73 2.983 6.114 -7.260 1.00 1.00 H new ATOM 0 HD22 ASN A 73 2.730 4.380 -7.485 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.305 3.212 -5.152 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.144 3.604 -4.008 1.00 1.00 C ATOM 1075 C GLY A 74 -3.625 3.224 -4.141 1.00 1.00 C ATOM 1076 O GLY A 74 -4.374 3.361 -3.174 1.00 1.00 O ATOM 0 H GLY A 74 -1.042 2.227 -5.131 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.744 3.142 -3.106 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.070 4.683 -3.873 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.037 2.711 -5.306 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.374 2.163 -5.585 1.00 1.00 C ATOM 1082 C VAL A 75 -5.239 0.658 -5.806 1.00 1.00 C ATOM 1083 O VAL A 75 -4.827 0.189 -6.868 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.056 2.858 -6.782 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.515 2.397 -6.904 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.053 4.386 -6.637 1.00 1.00 C ATOM 0 H VAL A 75 -3.422 2.663 -6.118 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.023 2.353 -4.730 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.487 2.583 -7.670 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.984 2.895 -7.752 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.544 1.318 -7.055 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.054 2.650 -5.991 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.543 4.834 -7.501 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.589 4.666 -5.730 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.025 4.744 -6.576 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.510 -0.108 -4.755 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.487 -1.568 -4.759 1.00 1.00 C ATOM 1098 C LEU A 76 -6.721 -2.118 -5.493 1.00 1.00 C ATOM 1099 O LEU A 76 -7.798 -1.529 -5.440 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.461 -2.052 -3.294 1.00 1.00 C ATOM 1101 CG LEU A 76 -4.077 -2.023 -2.613 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.353 -0.677 -2.686 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -4.241 -2.412 -1.142 1.00 1.00 C ATOM 0 H LEU A 76 -5.760 0.282 -3.846 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.603 -1.931 -5.283 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -6.146 -1.435 -2.713 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.843 -3.072 -3.259 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.457 -2.731 -3.164 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.390 -0.754 -2.181 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.195 -0.405 -3.730 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.958 0.088 -2.200 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -3.268 -2.395 -0.650 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.908 -1.704 -0.651 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -4.663 -3.415 -1.076 1.00 1.00 H new ATOM 1115 N SER A 77 -6.593 -3.287 -6.111 1.00 1.00 N ATOM 1116 CA SER A 77 -7.700 -4.064 -6.675 1.00 1.00 C ATOM 1117 C SER A 77 -7.816 -5.342 -5.860 1.00 1.00 C ATOM 1118 O SER A 77 -6.861 -6.118 -5.777 1.00 1.00 O ATOM 1119 CB SER A 77 -7.460 -4.411 -8.141 1.00 1.00 C ATOM 1120 OG SER A 77 -7.239 -3.251 -8.924 1.00 1.00 O ATOM 0 H SER A 77 -5.687 -3.738 -6.239 1.00 1.00 H new ATOM 0 HA SER A 77 -8.616 -3.475 -6.631 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.599 -5.074 -8.222 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.320 -4.956 -8.532 1.00 1.00 H new ATOM 0 HG SER A 77 -7.087 -3.510 -9.857 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.970 -5.554 -5.234 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.153 -6.611 -4.232 1.00 1.00 C ATOM 1128 C VAL A 78 -10.410 -7.446 -4.496 1.00 1.00 C ATOM 1129 O VAL A 78 -11.304 -7.043 -5.242 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.119 -6.013 -2.800 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.988 -4.995 -2.602 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.429 -5.331 -2.406 1.00 1.00 C ATOM 0 H VAL A 78 -9.809 -4.999 -5.404 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.317 -7.306 -4.316 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.949 -6.879 -2.160 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -8.017 -4.613 -1.582 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -7.028 -5.479 -2.781 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.115 -4.169 -3.302 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.342 -4.933 -1.395 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.638 -4.517 -3.100 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.242 -6.056 -2.442 1.00 1.00 H new ATOM 1142 N THR A 79 -10.487 -8.620 -3.871 1.00 1.00 N ATOM 1143 CA THR A 79 -11.643 -9.532 -3.937 1.00 1.00 C ATOM 1144 C THR A 79 -11.768 -10.299 -2.611 1.00 1.00 C ATOM 1145 O THR A 79 -10.734 -10.631 -2.022 1.00 1.00 O ATOM 1146 CB THR A 79 -11.497 -10.482 -5.143 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.610 -11.341 -5.217 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.247 -11.365 -5.111 1.00 1.00 C ATOM 0 H THR A 79 -9.731 -8.978 -3.288 1.00 1.00 H new ATOM 0 HA THR A 79 -12.560 -8.961 -4.081 1.00 1.00 H new ATOM 0 HB THR A 79 -11.418 -9.824 -6.008 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.510 -11.940 -5.986 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.227 -12.000 -5.997 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.357 -10.736 -5.095 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.265 -11.989 -4.218 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.978 -10.549 -2.069 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.145 -11.184 -0.762 1.00 1.00 C ATOM 1158 C PRO A 80 -12.811 -12.684 -0.792 1.00 1.00 C ATOM 1159 O PRO A 80 -13.658 -13.536 -1.068 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.581 -10.881 -0.337 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.327 -10.763 -1.667 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.279 -10.162 -2.605 1.00 1.00 C ATOM 0 HA PRO A 80 -12.443 -10.787 -0.029 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.992 -11.676 0.285 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.643 -9.959 0.242 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.675 -11.734 -2.021 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.205 -10.122 -1.581 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.407 -10.535 -3.621 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.374 -9.077 -2.650 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.551 -13.007 -0.486 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.072 -14.380 -0.306 1.00 1.00 C ATOM 1172 C HIS A 81 -11.763 -15.068 0.893 1.00 1.00 C ATOM 1173 O HIS A 81 -12.027 -16.270 0.844 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.542 -14.354 -0.137 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.852 -15.703 -0.204 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.386 -16.933 0.119 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.556 -15.933 -0.590 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.446 -17.874 -0.065 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.305 -17.309 -0.499 1.00 1.00 N ATOM 0 H HIS A 81 -10.821 -12.307 -0.354 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.326 -14.968 -1.188 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.120 -13.711 -0.910 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.308 -13.894 0.823 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.338 -17.100 0.444 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.849 -15.182 -0.910 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.586 -18.931 0.110 1.00 1.00 H new