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= 0.152 K(o=0.76,f=-0.17) USER MOD Set 1.2: A 61 SER OG : rot 89:sc= 0.605 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.49) USER MOD Set 2.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -37:sc= 0.0974 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 73:sc= 0.808 USER MOD Single : A 12 SER OG : rot 74:sc= 0.813 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -106:sc= 0.0233 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -2:sc= 0.288 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 0.499 (180deg=0.384) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 100:sc= 0.647 USER MOD Single : A 57 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.834 K(o=0.83,f=-0.043) 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 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0571 K(o=-0.057,f=-0.58) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 81 HIS : no HE2:sc= 0.337 K(o=0.34,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 18.524 16.018 -7.192 1.00 1.00 N ATOM 9 CA SER A 2 17.740 15.473 -6.068 1.00 1.00 C ATOM 10 C SER A 2 16.332 15.010 -6.466 1.00 1.00 C ATOM 11 O SER A 2 15.833 14.017 -5.937 1.00 1.00 O ATOM 12 CB SER A 2 17.652 16.507 -4.939 1.00 1.00 C ATOM 13 OG SER A 2 17.098 17.727 -5.414 1.00 1.00 O ATOM 0 HA SER A 2 18.271 14.584 -5.726 1.00 1.00 H new ATOM 0 HB2 SER A 2 17.038 16.115 -4.128 1.00 1.00 H new ATOM 0 HB3 SER A 2 18.645 16.689 -4.528 1.00 1.00 H new ATOM 0 HG SER A 2 17.416 17.898 -6.325 1.00 1.00 H new ATOM 19 N HIS A 3 15.715 15.659 -7.455 1.00 1.00 N ATOM 20 CA HIS A 3 14.438 15.252 -8.051 1.00 1.00 C ATOM 21 C HIS A 3 14.481 13.850 -8.694 1.00 1.00 C ATOM 22 O HIS A 3 13.491 13.120 -8.625 1.00 1.00 O ATOM 23 CB HIS A 3 13.985 16.330 -9.050 1.00 1.00 C ATOM 24 CG HIS A 3 15.024 16.708 -10.081 1.00 1.00 C ATOM 25 ND1 HIS A 3 15.930 17.744 -9.984 1.00 1.00 N ATOM 26 CD2 HIS A 3 15.249 16.088 -11.281 1.00 1.00 C ATOM 27 CE1 HIS A 3 16.690 17.742 -11.093 1.00 1.00 C ATOM 28 NE2 HIS A 3 16.313 16.745 -11.915 1.00 1.00 N ATOM 0 H HIS A 3 16.099 16.505 -7.876 1.00 1.00 H new ATOM 0 HA HIS A 3 13.704 15.167 -7.249 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.092 15.977 -9.566 1.00 1.00 H new ATOM 0 HB3 HIS A 3 13.700 17.224 -8.495 1.00 1.00 H new ATOM 0 HD2 HIS A 3 14.703 15.242 -11.671 1.00 1.00 H new ATOM 0 HE1 HIS A 3 17.489 18.440 -11.295 1.00 1.00 H new ATOM 0 HE2 HIS A 3 16.721 16.513 -12.821 1.00 1.00 H new ATOM 36 N MET A 4 15.620 13.428 -9.262 1.00 1.00 N ATOM 37 CA MET A 4 15.800 12.059 -9.777 1.00 1.00 C ATOM 38 C MET A 4 15.923 11.032 -8.644 1.00 1.00 C ATOM 39 O MET A 4 15.407 9.919 -8.763 1.00 1.00 O ATOM 40 CB MET A 4 17.040 11.963 -10.684 1.00 1.00 C ATOM 41 CG MET A 4 16.985 12.876 -11.914 1.00 1.00 C ATOM 42 SD MET A 4 15.586 12.573 -13.032 1.00 1.00 S ATOM 43 CE MET A 4 15.994 13.751 -14.350 1.00 1.00 C ATOM 0 H MET A 4 16.441 14.022 -9.378 1.00 1.00 H new ATOM 0 HA MET A 4 14.908 11.829 -10.360 1.00 1.00 H new ATOM 0 HB2 MET A 4 17.925 12.212 -10.099 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.156 10.931 -11.015 1.00 1.00 H new ATOM 0 HG2 MET A 4 16.944 13.912 -11.577 1.00 1.00 H new ATOM 0 HG3 MET A 4 17.912 12.760 -12.476 1.00 1.00 H new ATOM 0 HE1 MET A 4 15.235 13.701 -15.130 1.00 1.00 H new ATOM 0 HE2 MET A 4 16.027 14.760 -13.939 1.00 1.00 H new ATOM 0 HE3 MET A 4 16.966 13.500 -14.774 1.00 1.00 H new ATOM 53 N LEU A 5 16.559 11.402 -7.527 1.00 1.00 N ATOM 54 CA LEU A 5 16.668 10.551 -6.334 1.00 1.00 C ATOM 55 C LEU A 5 15.304 10.369 -5.646 1.00 1.00 C ATOM 56 O LEU A 5 14.941 9.252 -5.278 1.00 1.00 O ATOM 57 CB LEU A 5 17.708 11.137 -5.359 1.00 1.00 C ATOM 58 CG LEU A 5 19.125 11.295 -5.945 1.00 1.00 C ATOM 59 CD1 LEU A 5 20.042 11.954 -4.914 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.747 9.956 -6.349 1.00 1.00 C ATOM 0 H LEU A 5 17.017 12.308 -7.423 1.00 1.00 H new ATOM 0 HA LEU A 5 17.004 9.563 -6.649 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.359 12.113 -5.021 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.763 10.495 -4.480 1.00 1.00 H new ATOM 0 HG LEU A 5 19.027 11.912 -6.838 1.00 1.00 H new ATOM 0 HD11 LEU A 5 21.042 12.063 -5.334 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.649 12.937 -4.653 1.00 1.00 H new ATOM 0 HD13 LEU A 5 20.090 11.333 -4.020 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.744 10.126 -6.755 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.817 9.309 -5.475 1.00 1.00 H new ATOM 0 HD23 LEU A 5 19.124 9.479 -7.105 1.00 1.00 H new ATOM 72 N GLU A 6 14.508 11.438 -5.537 1.00 1.00 N ATOM 73 CA GLU A 6 13.125 11.375 -5.041 1.00 1.00 C ATOM 74 C GLU A 6 12.206 10.568 -5.975 1.00 1.00 C ATOM 75 O GLU A 6 11.401 9.768 -5.498 1.00 1.00 O ATOM 76 CB GLU A 6 12.567 12.795 -4.846 1.00 1.00 C ATOM 77 CG GLU A 6 13.220 13.570 -3.690 1.00 1.00 C ATOM 78 CD GLU A 6 12.872 12.972 -2.320 1.00 1.00 C ATOM 79 OE1 GLU A 6 11.794 13.324 -1.780 1.00 1.00 O ATOM 80 OE2 GLU A 6 13.677 12.158 -1.809 1.00 1.00 O ATOM 0 H GLU A 6 14.806 12.380 -5.792 1.00 1.00 H new ATOM 0 HA GLU A 6 13.148 10.857 -4.082 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.703 13.358 -5.770 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.494 12.731 -4.667 1.00 1.00 H new ATOM 0 HG2 GLU A 6 14.302 13.569 -3.820 1.00 1.00 H new ATOM 0 HG3 GLU A 6 12.896 14.610 -3.723 1.00 1.00 H new ATOM 87 N SER A 7 12.356 10.710 -7.297 1.00 1.00 N ATOM 88 CA SER A 7 11.657 9.873 -8.283 1.00 1.00 C ATOM 89 C SER A 7 12.032 8.389 -8.142 1.00 1.00 C ATOM 90 O SER A 7 11.156 7.522 -8.128 1.00 1.00 O ATOM 91 CB SER A 7 11.960 10.376 -9.700 1.00 1.00 C ATOM 92 OG SER A 7 11.184 9.675 -10.658 1.00 1.00 O ATOM 0 H SER A 7 12.967 11.411 -7.716 1.00 1.00 H new ATOM 0 HA SER A 7 10.586 9.953 -8.095 1.00 1.00 H new ATOM 0 HB2 SER A 7 11.749 11.443 -9.765 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.020 10.246 -9.918 1.00 1.00 H new ATOM 0 HG SER A 7 11.390 10.011 -11.555 1.00 1.00 H new ATOM 98 N SER A 8 13.318 8.083 -7.939 1.00 1.00 N ATOM 99 CA SER A 8 13.804 6.714 -7.700 1.00 1.00 C ATOM 100 C SER A 8 13.260 6.119 -6.395 1.00 1.00 C ATOM 101 O SER A 8 12.877 4.947 -6.365 1.00 1.00 O ATOM 102 CB SER A 8 15.338 6.669 -7.676 1.00 1.00 C ATOM 103 OG SER A 8 15.883 7.094 -8.916 1.00 1.00 O ATOM 0 H SER A 8 14.060 8.783 -7.935 1.00 1.00 H new ATOM 0 HA SER A 8 13.434 6.111 -8.529 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.711 7.306 -6.874 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.671 5.654 -7.458 1.00 1.00 H new ATOM 0 HG SER A 8 15.785 8.065 -9.001 1.00 1.00 H new ATOM 109 N ALA A 9 13.167 6.916 -5.325 1.00 1.00 N ATOM 110 CA ALA A 9 12.546 6.511 -4.064 1.00 1.00 C ATOM 111 C ALA A 9 11.033 6.253 -4.207 1.00 1.00 C ATOM 112 O ALA A 9 10.522 5.270 -3.669 1.00 1.00 O ATOM 113 CB ALA A 9 12.835 7.586 -3.008 1.00 1.00 C ATOM 0 H ALA A 9 13.526 7.871 -5.312 1.00 1.00 H new ATOM 0 HA ALA A 9 12.978 5.561 -3.751 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.378 7.298 -2.061 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.912 7.686 -2.875 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.420 8.539 -3.336 1.00 1.00 H new ATOM 119 N GLU A 10 10.313 7.084 -4.969 1.00 1.00 N ATOM 120 CA GLU A 10 8.886 6.887 -5.259 1.00 1.00 C ATOM 121 C GLU A 10 8.633 5.625 -6.105 1.00 1.00 C ATOM 122 O GLU A 10 7.730 4.849 -5.801 1.00 1.00 O ATOM 123 CB GLU A 10 8.330 8.147 -5.948 1.00 1.00 C ATOM 124 CG GLU A 10 6.804 8.147 -6.127 1.00 1.00 C ATOM 125 CD GLU A 10 6.062 8.235 -4.786 1.00 1.00 C ATOM 126 OE1 GLU A 10 5.819 9.375 -4.321 1.00 1.00 O ATOM 127 OE2 GLU A 10 5.740 7.166 -4.215 1.00 1.00 O ATOM 0 H GLU A 10 10.706 7.918 -5.405 1.00 1.00 H new ATOM 0 HA GLU A 10 8.361 6.730 -4.317 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.616 9.022 -5.365 1.00 1.00 H new ATOM 0 HB3 GLU A 10 8.799 8.249 -6.927 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.514 8.988 -6.756 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.501 7.239 -6.649 1.00 1.00 H new ATOM 134 N GLU A 11 9.457 5.362 -7.123 1.00 1.00 N ATOM 135 CA GLU A 11 9.396 4.117 -7.904 1.00 1.00 C ATOM 136 C GLU A 11 9.760 2.877 -7.070 1.00 1.00 C ATOM 137 O GLU A 11 9.154 1.818 -7.243 1.00 1.00 O ATOM 138 CB GLU A 11 10.314 4.215 -9.136 1.00 1.00 C ATOM 139 CG GLU A 11 9.797 5.175 -10.219 1.00 1.00 C ATOM 140 CD GLU A 11 8.542 4.636 -10.919 1.00 1.00 C ATOM 141 OE1 GLU A 11 8.698 3.849 -11.884 1.00 1.00 O ATOM 142 OE2 GLU A 11 7.421 5.001 -10.489 1.00 1.00 O ATOM 0 H GLU A 11 10.187 6.005 -7.431 1.00 1.00 H new ATOM 0 HA GLU A 11 8.362 3.994 -8.227 1.00 1.00 H new ATOM 0 HB2 GLU A 11 11.303 4.542 -8.816 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.432 3.222 -9.570 1.00 1.00 H new ATOM 0 HG2 GLU A 11 9.573 6.142 -9.768 1.00 1.00 H new ATOM 0 HG3 GLU A 11 10.580 5.342 -10.958 1.00 1.00 H new ATOM 149 N SER A 12 10.690 3.003 -6.118 1.00 1.00 N ATOM 150 CA SER A 12 10.990 1.936 -5.150 1.00 1.00 C ATOM 151 C SER A 12 9.809 1.673 -4.210 1.00 1.00 C ATOM 152 O SER A 12 9.493 0.520 -3.922 1.00 1.00 O ATOM 153 CB SER A 12 12.240 2.264 -4.324 1.00 1.00 C ATOM 154 OG SER A 12 13.382 2.398 -5.156 1.00 1.00 O ATOM 0 H SER A 12 11.256 3.843 -5.994 1.00 1.00 H new ATOM 0 HA SER A 12 11.178 1.033 -5.731 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.080 3.188 -3.769 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.411 1.477 -3.590 1.00 1.00 H new ATOM 0 HG SER A 12 13.335 3.248 -5.641 1.00 1.00 H new ATOM 160 N LEU A 13 9.097 2.717 -3.772 1.00 1.00 N ATOM 161 CA LEU A 13 7.890 2.572 -2.956 1.00 1.00 C ATOM 162 C LEU A 13 6.717 1.971 -3.749 1.00 1.00 C ATOM 163 O LEU A 13 5.993 1.126 -3.226 1.00 1.00 O ATOM 164 CB LEU A 13 7.533 3.933 -2.335 1.00 1.00 C ATOM 165 CG LEU A 13 6.277 3.907 -1.442 1.00 1.00 C ATOM 166 CD1 LEU A 13 6.363 2.843 -0.345 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.093 5.272 -0.786 1.00 1.00 C ATOM 0 H LEU A 13 9.343 3.686 -3.974 1.00 1.00 H new ATOM 0 HA LEU A 13 8.094 1.862 -2.155 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.379 4.284 -1.744 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.382 4.657 -3.136 1.00 1.00 H new ATOM 0 HG LEU A 13 5.430 3.663 -2.083 1.00 1.00 H new ATOM 0 HD11 LEU A 13 5.454 2.866 0.256 1.00 1.00 H new ATOM 0 HD12 LEU A 13 6.472 1.859 -0.801 1.00 1.00 H new ATOM 0 HD13 LEU A 13 7.224 3.046 0.292 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.205 5.255 -0.154 1.00 1.00 H new ATOM 0 HD22 LEU A 13 6.967 5.504 -0.178 1.00 1.00 H new ATOM 0 HD23 LEU A 13 5.975 6.033 -1.557 1.00 1.00 H new ATOM 179 N ALA A 14 6.563 2.321 -5.026 1.00 1.00 N ATOM 180 CA ALA A 14 5.621 1.655 -5.925 1.00 1.00 C ATOM 181 C ALA A 14 5.907 0.144 -6.048 1.00 1.00 C ATOM 182 O ALA A 14 4.976 -0.660 -6.122 1.00 1.00 O ATOM 183 CB ALA A 14 5.630 2.363 -7.285 1.00 1.00 C ATOM 0 H ALA A 14 7.089 3.076 -5.467 1.00 1.00 H new ATOM 0 HA ALA A 14 4.619 1.730 -5.503 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.929 1.869 -7.957 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.335 3.404 -7.155 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.632 2.320 -7.711 1.00 1.00 H new ATOM 189 N TYR A 15 7.183 -0.254 -6.032 1.00 1.00 N ATOM 190 CA TYR A 15 7.589 -1.666 -6.065 1.00 1.00 C ATOM 191 C TYR A 15 7.317 -2.378 -4.728 1.00 1.00 C ATOM 192 O TYR A 15 6.810 -3.502 -4.716 1.00 1.00 O ATOM 193 CB TYR A 15 9.066 -1.773 -6.466 1.00 1.00 C ATOM 194 CG TYR A 15 9.533 -3.208 -6.625 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.124 -3.955 -7.747 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.337 -3.807 -5.635 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.512 -5.301 -7.881 1.00 1.00 C ATOM 198 CE2 TYR A 15 10.731 -5.153 -5.769 1.00 1.00 C ATOM 199 CZ TYR A 15 10.319 -5.905 -6.891 1.00 1.00 C ATOM 200 OH TYR A 15 10.701 -7.207 -7.009 1.00 1.00 O ATOM 0 H TYR A 15 7.968 0.396 -5.996 1.00 1.00 H new ATOM 0 HA TYR A 15 6.983 -2.176 -6.814 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.222 -1.240 -7.404 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.679 -1.278 -5.712 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.511 -3.493 -8.507 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.651 -3.235 -4.774 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.193 -5.872 -8.740 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.350 -5.611 -5.012 1.00 1.00 H new ATOM 0 HH TYR A 15 11.253 -7.457 -6.239 1.00 1.00 H new ATOM 210 N ARG A 16 7.566 -1.707 -3.593 1.00 1.00 N ATOM 211 CA ARG A 16 7.168 -2.178 -2.253 1.00 1.00 C ATOM 212 C ARG A 16 5.652 -2.355 -2.128 1.00 1.00 C ATOM 213 O ARG A 16 5.203 -3.330 -1.533 1.00 1.00 O ATOM 214 CB ARG A 16 7.677 -1.210 -1.171 1.00 1.00 C ATOM 215 CG ARG A 16 9.205 -1.236 -1.004 1.00 1.00 C ATOM 216 CD ARG A 16 9.713 -0.086 -0.124 1.00 1.00 C ATOM 217 NE ARG A 16 9.128 -0.113 1.230 1.00 1.00 N ATOM 218 CZ ARG A 16 9.148 0.877 2.109 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.731 2.022 1.872 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.571 0.733 3.271 1.00 1.00 N ATOM 0 H ARG A 16 8.055 -0.812 -3.577 1.00 1.00 H new ATOM 0 HA ARG A 16 7.625 -3.157 -2.108 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.363 -0.197 -1.422 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.210 -1.462 -0.219 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.504 -2.187 -0.564 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.677 -1.176 -1.985 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.799 -0.142 -0.049 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.475 0.865 -0.601 1.00 1.00 H new ATOM 0 HE ARG A 16 8.665 -0.975 1.516 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.197 2.182 0.979 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.720 2.756 2.580 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.104 -0.143 3.503 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.588 1.497 3.947 1.00 1.00 H new ATOM 234 N GLU A 17 4.861 -1.456 -2.715 1.00 1.00 N ATOM 235 CA GLU A 17 3.405 -1.611 -2.807 1.00 1.00 C ATOM 236 C GLU A 17 3.005 -2.778 -3.723 1.00 1.00 C ATOM 237 O GLU A 17 2.155 -3.573 -3.341 1.00 1.00 O ATOM 238 CB GLU A 17 2.762 -0.289 -3.254 1.00 1.00 C ATOM 239 CG GLU A 17 1.249 -0.279 -3.000 1.00 1.00 C ATOM 240 CD GLU A 17 0.620 1.030 -3.481 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.248 1.106 -4.676 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.504 1.960 -2.650 1.00 1.00 O ATOM 0 H GLU A 17 5.210 -0.598 -3.141 1.00 1.00 H new ATOM 0 HA GLU A 17 3.028 -1.860 -1.815 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.226 0.540 -2.720 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.954 -0.132 -4.315 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.785 -1.120 -3.515 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.055 -0.410 -1.936 1.00 1.00 H new ATOM 249 N ASP A 18 3.641 -2.950 -4.885 1.00 1.00 N ATOM 250 CA ASP A 18 3.385 -4.085 -5.786 1.00 1.00 C ATOM 251 C ASP A 18 3.721 -5.450 -5.153 1.00 1.00 C ATOM 252 O ASP A 18 3.102 -6.449 -5.510 1.00 1.00 O ATOM 253 CB ASP A 18 4.151 -3.889 -7.102 1.00 1.00 C ATOM 254 CG ASP A 18 3.696 -4.898 -8.160 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.553 -4.745 -8.648 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.474 -5.826 -8.485 1.00 1.00 O ATOM 0 H ASP A 18 4.351 -2.305 -5.232 1.00 1.00 H new ATOM 0 HA ASP A 18 2.313 -4.101 -5.985 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.994 -2.875 -7.470 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.221 -4.001 -6.924 1.00 1.00 H new ATOM 273 N LEU A 20 2.759 -6.201 -2.161 1.00 1.00 N ATOM 274 CA LEU A 20 1.492 -6.465 -1.463 1.00 1.00 C ATOM 275 C LEU A 20 0.450 -7.179 -2.353 1.00 1.00 C ATOM 276 O LEU A 20 -0.509 -7.750 -1.837 1.00 1.00 O ATOM 277 CB LEU A 20 0.904 -5.165 -0.878 1.00 1.00 C ATOM 278 CG LEU A 20 1.876 -4.259 -0.100 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.118 -3.046 0.443 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.578 -4.965 1.060 1.00 1.00 C ATOM 0 HA LEU A 20 1.728 -7.147 -0.646 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.478 -4.585 -1.697 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.081 -5.431 -0.215 1.00 1.00 H new ATOM 0 HG LEU A 20 2.651 -3.960 -0.806 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.805 -2.404 0.994 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.685 -2.487 -0.386 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.323 -3.382 1.109 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.246 -4.265 1.561 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.834 -5.327 1.769 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.155 -5.807 0.678 1.00 1.00 H new ATOM 292 N ARG A 21 0.653 -7.211 -3.680 1.00 1.00 N ATOM 293 CA ARG A 21 -0.156 -7.964 -4.667 1.00 1.00 C ATOM 294 C ARG A 21 -0.058 -9.495 -4.509 1.00 1.00 C ATOM 295 O ARG A 21 -0.772 -10.236 -5.183 1.00 1.00 O ATOM 296 CB ARG A 21 0.286 -7.512 -6.073 1.00 1.00 C ATOM 297 CG ARG A 21 -0.705 -7.817 -7.205 1.00 1.00 C ATOM 298 CD ARG A 21 -0.314 -7.139 -8.531 1.00 1.00 C ATOM 299 NE ARG A 21 1.109 -7.303 -8.879 1.00 1.00 N ATOM 300 CZ ARG A 21 1.716 -8.384 -9.334 1.00 1.00 C ATOM 301 NH1 ARG A 21 1.083 -9.499 -9.594 1.00 1.00 N ATOM 302 NH2 ARG A 21 3.005 -8.362 -9.539 1.00 1.00 N ATOM 0 H ARG A 21 1.415 -6.694 -4.118 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.209 -7.739 -4.498 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.466 -6.437 -6.051 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.237 -7.990 -6.307 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -0.760 -8.895 -7.355 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.701 -7.485 -6.911 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.926 -7.550 -9.334 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.544 -6.075 -8.468 1.00 1.00 H new ATOM 0 HE ARG A 21 1.698 -6.480 -8.753 1.00 1.00 H new ATOM 0 HH11 ARG A 21 0.076 -9.560 -9.446 1.00 1.00 H new ATOM 0 HH12 ARG A 21 1.597 -10.307 -9.944 1.00 1.00 H new ATOM 0 HH21 ARG A 21 3.537 -7.513 -9.348 1.00 1.00 H new ATOM 0 HH22 ARG A 21 3.480 -9.194 -9.890 1.00 1.00 H new ATOM 316 N GLY A 22 0.802 -9.972 -3.607 1.00 1.00 N ATOM 317 CA GLY A 22 0.892 -11.369 -3.166 1.00 1.00 C ATOM 318 C GLY A 22 0.432 -11.581 -1.717 1.00 1.00 C ATOM 319 O GLY A 22 0.832 -12.572 -1.100 1.00 1.00 O ATOM 0 H GLY A 22 1.484 -9.372 -3.143 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.287 -11.990 -3.826 1.00 1.00 H new ATOM 0 HA3 GLY A 22 1.923 -11.708 -3.265 1.00 1.00 H new ATOM 323 N ARG A 23 -0.369 -10.659 -1.154 1.00 1.00 N ATOM 324 CA ARG A 23 -0.768 -10.640 0.266 1.00 1.00 C ATOM 325 C ARG A 23 -2.278 -10.471 0.479 1.00 1.00 C ATOM 326 O ARG A 23 -3.016 -9.967 -0.372 1.00 1.00 O ATOM 327 CB ARG A 23 -0.017 -9.531 1.021 1.00 1.00 C ATOM 328 CG ARG A 23 1.511 -9.635 0.924 1.00 1.00 C ATOM 329 CD ARG A 23 2.119 -8.668 1.940 1.00 1.00 C ATOM 330 NE ARG A 23 3.564 -8.473 1.729 1.00 1.00 N ATOM 331 CZ ARG A 23 4.411 -7.946 2.599 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.058 -7.588 3.807 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.656 -7.759 2.266 1.00 1.00 N ATOM 0 H ARG A 23 -0.767 -9.886 -1.687 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.499 -11.618 0.664 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.331 -8.563 0.630 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.307 -9.560 2.071 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.837 -10.655 1.128 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.846 -9.389 -0.084 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.611 -7.706 1.872 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.949 -9.048 2.947 1.00 1.00 H new ATOM 0 HE ARG A 23 3.946 -8.771 0.831 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.093 -7.711 4.114 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.748 -7.186 4.442 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.979 -8.019 1.334 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.308 -7.353 2.937 1.00 1.00 H new ATOM 347 N LEU A 24 -2.709 -10.886 1.668 1.00 1.00 N ATOM 348 CA LEU A 24 -4.083 -10.828 2.172 1.00 1.00 C ATOM 349 C LEU A 24 -4.276 -9.552 3.016 1.00 1.00 C ATOM 350 O LEU A 24 -3.351 -9.072 3.676 1.00 1.00 O ATOM 351 CB LEU A 24 -4.284 -12.112 3.008 1.00 1.00 C ATOM 352 CG LEU A 24 -5.743 -12.551 3.225 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.344 -13.143 1.947 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.789 -13.651 4.286 1.00 1.00 C ATOM 0 H LEU A 24 -2.070 -11.297 2.349 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.819 -10.782 1.370 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.748 -12.927 2.521 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.821 -11.964 3.983 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.308 -11.669 3.528 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.375 -13.443 2.135 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.322 -12.395 1.154 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.763 -14.013 1.641 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.822 -13.964 4.441 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.198 -14.504 3.952 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.380 -13.271 5.222 1.00 1.00 H new ATOM 366 N GLY A 25 -5.491 -9.017 3.012 1.00 1.00 N ATOM 367 CA GLY A 25 -5.877 -7.749 3.627 1.00 1.00 C ATOM 368 C GLY A 25 -7.283 -7.753 4.230 1.00 1.00 C ATOM 369 O GLY A 25 -7.960 -8.781 4.301 1.00 1.00 O ATOM 0 H GLY A 25 -6.277 -9.480 2.555 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.158 -7.502 4.408 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.816 -6.960 2.877 1.00 1.00 H new ATOM 373 N LYS A 26 -7.713 -6.569 4.667 1.00 1.00 N ATOM 374 CA LYS A 26 -8.905 -6.290 5.466 1.00 1.00 C ATOM 375 C LYS A 26 -9.491 -4.946 5.047 1.00 1.00 C ATOM 376 O LYS A 26 -8.819 -3.919 5.128 1.00 1.00 O ATOM 377 CB LYS A 26 -8.454 -6.281 6.937 1.00 1.00 C ATOM 378 CG LYS A 26 -9.550 -6.003 7.977 1.00 1.00 C ATOM 379 CD LYS A 26 -10.780 -6.920 7.886 1.00 1.00 C ATOM 380 CE LYS A 26 -10.462 -8.423 7.805 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.715 -8.903 8.986 1.00 1.00 N ATOM 0 H LYS A 26 -7.197 -5.715 4.455 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.684 -7.039 5.321 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.003 -7.247 7.164 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.673 -5.529 7.052 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.117 -6.098 8.973 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.878 -4.969 7.870 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.412 -6.743 8.756 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.361 -6.638 7.008 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.392 -8.984 7.713 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.880 -8.621 6.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -8.722 -9.070 8.725 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -9.759 -8.187 9.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.137 -9.790 9.327 1.00 1.00 H new ATOM 395 N VAL A 27 -10.723 -4.959 4.546 1.00 1.00 N ATOM 396 CA VAL A 27 -11.437 -3.741 4.112 1.00 1.00 C ATOM 397 C VAL A 27 -11.879 -2.912 5.326 1.00 1.00 C ATOM 398 O VAL A 27 -12.531 -3.439 6.229 1.00 1.00 O ATOM 399 CB VAL A 27 -12.612 -4.094 3.171 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.475 -2.889 2.793 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.022 -4.664 1.878 1.00 1.00 C ATOM 0 H VAL A 27 -11.265 -5.814 4.425 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.753 -3.119 3.535 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.250 -4.801 3.701 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.279 -3.211 2.132 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.901 -2.449 3.695 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.861 -2.147 2.283 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.829 -4.923 1.193 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.376 -3.919 1.413 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.440 -5.557 2.106 1.00 1.00 H new ATOM 411 N ILE A 28 -11.549 -1.614 5.330 1.00 1.00 N ATOM 412 CA ILE A 28 -11.860 -0.656 6.417 1.00 1.00 C ATOM 413 C ILE A 28 -12.744 0.525 5.967 1.00 1.00 C ATOM 414 O ILE A 28 -13.097 1.392 6.765 1.00 1.00 O ATOM 415 CB ILE A 28 -10.598 -0.173 7.174 1.00 1.00 C ATOM 416 CG1 ILE A 28 -9.630 0.691 6.328 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.906 -1.352 7.883 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.543 -0.065 5.565 1.00 1.00 C ATOM 0 H ILE A 28 -11.043 -1.181 4.557 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.458 -1.227 7.127 1.00 1.00 H new ATOM 0 HB ILE A 28 -10.944 0.520 7.941 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.219 1.262 5.610 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.147 1.411 6.989 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.022 -0.992 8.409 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.595 -1.802 8.598 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.611 -2.098 7.145 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -7.928 0.644 5.010 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -7.918 -0.614 6.270 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -9.006 -0.765 4.870 1.00 1.00 H new ATOM 430 N THR A 29 -13.121 0.570 4.687 1.00 1.00 N ATOM 431 CA THR A 29 -14.141 1.469 4.112 1.00 1.00 C ATOM 432 C THR A 29 -14.750 0.717 2.932 1.00 1.00 C ATOM 433 O THR A 29 -14.003 0.215 2.095 1.00 1.00 O ATOM 434 CB THR A 29 -13.560 2.817 3.646 1.00 1.00 C ATOM 435 OG1 THR A 29 -12.939 3.496 4.717 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.623 3.761 3.083 1.00 1.00 C ATOM 0 H THR A 29 -12.708 -0.045 3.986 1.00 1.00 H new ATOM 0 HA THR A 29 -14.882 1.720 4.872 1.00 1.00 H new ATOM 0 HB THR A 29 -12.845 2.565 2.863 1.00 1.00 H new ATOM 0 HG1 THR A 29 -13.040 2.972 5.539 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.153 4.694 2.771 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.107 3.294 2.225 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.368 3.969 3.851 1.00 1.00 H new ATOM 444 N ALA A 30 -16.078 0.589 2.887 1.00 1.00 N ATOM 445 CA ALA A 30 -16.788 -0.283 1.949 1.00 1.00 C ATOM 446 C ALA A 30 -16.443 -0.019 0.469 1.00 1.00 C ATOM 447 O ALA A 30 -16.349 1.129 0.028 1.00 1.00 O ATOM 448 CB ALA A 30 -18.294 -0.154 2.203 1.00 1.00 C ATOM 0 H ALA A 30 -16.702 1.098 3.513 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.459 -1.306 2.133 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.836 -0.798 1.511 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.517 -0.452 3.227 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.601 0.881 2.052 1.00 1.00 H new ATOM 454 N VAL A 31 -16.307 -1.102 -0.298 1.00 1.00 N ATOM 455 CA VAL A 31 -15.876 -1.125 -1.705 1.00 1.00 C ATOM 456 C VAL A 31 -16.992 -1.762 -2.549 1.00 1.00 C ATOM 457 O VAL A 31 -17.079 -2.989 -2.604 1.00 1.00 O ATOM 458 CB VAL A 31 -14.555 -1.912 -1.867 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.062 -1.855 -3.312 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.407 -1.417 -0.982 1.00 1.00 C ATOM 0 H VAL A 31 -16.504 -2.037 0.060 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.691 -0.106 -2.044 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.809 -2.926 -1.560 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.131 -2.416 -3.401 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.813 -2.291 -3.970 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.889 -0.817 -3.597 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.521 -2.026 -1.161 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.186 -0.376 -1.220 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.696 -1.496 0.066 1.00 1.00 H new ATOM 470 N PRO A 32 -17.901 -0.980 -3.163 1.00 1.00 N ATOM 471 CA PRO A 32 -19.000 -1.534 -3.952 1.00 1.00 C ATOM 472 C PRO A 32 -18.545 -2.060 -5.326 1.00 1.00 C ATOM 473 O PRO A 32 -17.405 -1.854 -5.748 1.00 1.00 O ATOM 474 CB PRO A 32 -20.026 -0.404 -4.055 1.00 1.00 C ATOM 475 CG PRO A 32 -19.145 0.833 -4.059 1.00 1.00 C ATOM 476 CD PRO A 32 -18.001 0.470 -3.110 1.00 1.00 C ATOM 0 HA PRO A 32 -19.428 -2.416 -3.475 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.625 -0.480 -4.963 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.720 -0.407 -3.214 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.778 1.059 -5.060 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.688 1.712 -3.713 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -17.068 0.940 -3.421 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.208 0.813 -2.096 1.00 1.00 H new ATOM 484 N VAL A 33 -19.472 -2.714 -6.037 1.00 1.00 N ATOM 485 CA VAL A 33 -19.226 -3.485 -7.277 1.00 1.00 C ATOM 486 C VAL A 33 -18.552 -2.705 -8.416 1.00 1.00 C ATOM 487 O VAL A 33 -17.975 -3.311 -9.316 1.00 1.00 O ATOM 488 CB VAL A 33 -20.529 -4.124 -7.815 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.295 -4.906 -6.740 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.490 -3.102 -8.437 1.00 1.00 C ATOM 0 H VAL A 33 -20.453 -2.725 -5.760 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.517 -4.251 -6.964 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.187 -4.810 -8.590 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.199 -5.332 -7.175 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.665 -5.708 -6.355 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.565 -4.235 -5.925 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.383 -3.614 -8.795 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.771 -2.363 -7.687 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -20.999 -2.602 -9.272 1.00 1.00 H new ATOM 500 N ASP A 34 -18.639 -1.376 -8.400 1.00 1.00 N ATOM 501 CA ASP A 34 -18.122 -0.455 -9.422 1.00 1.00 C ATOM 502 C ASP A 34 -17.558 0.846 -8.803 1.00 1.00 C ATOM 503 O ASP A 34 -17.535 1.893 -9.456 1.00 1.00 O ATOM 504 CB ASP A 34 -19.225 -0.181 -10.465 1.00 1.00 C ATOM 505 CG ASP A 34 -20.348 0.752 -9.975 1.00 1.00 C ATOM 506 OD1 ASP A 34 -20.769 0.626 -8.799 1.00 1.00 O ATOM 507 OD2 ASP A 34 -20.808 1.586 -10.791 1.00 1.00 O ATOM 0 H ASP A 34 -19.096 -0.882 -7.634 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.278 -0.926 -9.926 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -18.768 0.256 -11.353 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.665 -1.131 -10.768 1.00 1.00 H new ATOM 512 N GLY A 35 -17.147 0.796 -7.529 1.00 1.00 N ATOM 513 CA GLY A 35 -16.751 1.966 -6.731 1.00 1.00 C ATOM 514 C GLY A 35 -15.486 1.759 -5.891 1.00 1.00 C ATOM 515 O GLY A 35 -14.732 0.803 -6.093 1.00 1.00 O ATOM 0 H GLY A 35 -17.079 -0.080 -7.011 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.594 2.811 -7.401 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.573 2.234 -6.068 1.00 1.00 H new ATOM 519 N PHE A 36 -15.266 2.668 -4.935 1.00 1.00 N ATOM 520 CA PHE A 36 -14.022 2.788 -4.165 1.00 1.00 C ATOM 521 C PHE A 36 -14.271 2.820 -2.647 1.00 1.00 C ATOM 522 O PHE A 36 -15.252 3.395 -2.169 1.00 1.00 O ATOM 523 CB PHE A 36 -13.255 4.064 -4.561 1.00 1.00 C ATOM 524 CG PHE A 36 -12.962 4.267 -6.039 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.969 4.737 -6.906 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.666 4.040 -6.542 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.696 4.934 -8.270 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.389 4.247 -7.906 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.406 4.686 -8.773 1.00 1.00 C ATOM 0 H PHE A 36 -15.967 3.359 -4.668 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.432 1.903 -4.402 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.824 4.924 -4.208 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.306 4.068 -4.025 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.956 4.947 -6.520 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.882 3.706 -5.878 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.477 5.276 -8.933 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.395 4.069 -8.288 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.197 4.832 -9.822 1.00 1.00 H new ATOM 539 N GLY A 37 -13.333 2.235 -1.902 1.00 1.00 N ATOM 540 CA GLY A 37 -13.241 2.239 -0.438 1.00 1.00 C ATOM 541 C GLY A 37 -11.780 2.125 0.004 1.00 1.00 C ATOM 542 O GLY A 37 -10.905 2.730 -0.617 1.00 1.00 O ATOM 0 H GLY A 37 -12.568 1.712 -2.329 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.677 3.156 -0.042 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.817 1.409 -0.029 1.00 1.00 H new ATOM 546 N GLU A 38 -11.490 1.363 1.061 1.00 1.00 N ATOM 547 CA GLU A 38 -10.142 1.248 1.648 1.00 1.00 C ATOM 548 C GLU A 38 -9.823 -0.166 2.150 1.00 1.00 C ATOM 549 O GLU A 38 -10.697 -0.864 2.661 1.00 1.00 O ATOM 550 CB GLU A 38 -9.989 2.198 2.849 1.00 1.00 C ATOM 551 CG GLU A 38 -9.940 3.684 2.481 1.00 1.00 C ATOM 552 CD GLU A 38 -9.775 4.597 3.707 1.00 1.00 C ATOM 553 OE1 GLU A 38 -9.025 4.224 4.642 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.369 5.703 3.694 1.00 1.00 O ATOM 0 H GLU A 38 -12.190 0.799 1.543 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.454 1.505 0.843 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.820 2.034 3.534 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.077 1.940 3.387 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.113 3.856 1.792 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.855 3.953 1.954 1.00 1.00 H new ATOM 561 N VAL A 39 -8.542 -0.542 2.098 1.00 1.00 N ATOM 562 CA VAL A 39 -7.994 -1.824 2.571 1.00 1.00 C ATOM 563 C VAL A 39 -6.668 -1.620 3.319 1.00 1.00 C ATOM 564 O VAL A 39 -5.924 -0.680 3.041 1.00 1.00 O ATOM 565 CB VAL A 39 -7.843 -2.799 1.381 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.652 -2.469 0.474 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.738 -4.256 1.833 1.00 1.00 C ATOM 0 H VAL A 39 -7.822 0.065 1.707 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.690 -2.265 3.285 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.757 -2.668 0.802 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.604 -3.192 -0.341 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.774 -1.467 0.063 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.730 -2.514 1.054 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.634 -4.901 0.961 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.868 -4.375 2.478 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.638 -4.532 2.383 1.00 1.00 H new ATOM 577 N VAL A 40 -6.357 -2.519 4.250 1.00 1.00 N ATOM 578 CA VAL A 40 -5.058 -2.650 4.942 1.00 1.00 C ATOM 579 C VAL A 40 -4.606 -4.111 4.878 1.00 1.00 C ATOM 580 O VAL A 40 -5.439 -5.012 4.904 1.00 1.00 O ATOM 581 CB VAL A 40 -5.142 -2.133 6.397 1.00 1.00 C ATOM 582 CG1 VAL A 40 -6.207 -2.833 7.248 1.00 1.00 C ATOM 583 CG2 VAL A 40 -3.803 -2.193 7.128 1.00 1.00 C ATOM 0 H VAL A 40 -7.032 -3.216 4.565 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.315 -2.031 4.440 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.439 -1.091 6.280 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -6.202 -2.414 8.254 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -7.188 -2.684 6.797 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -5.989 -3.900 7.299 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -3.926 -1.817 8.144 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -3.453 -3.225 7.163 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -3.073 -1.580 6.600 1.00 1.00 H new ATOM 593 N ILE A 41 -3.302 -4.371 4.769 1.00 1.00 N ATOM 594 CA ILE A 41 -2.754 -5.742 4.777 1.00 1.00 C ATOM 595 C ILE A 41 -2.857 -6.333 6.191 1.00 1.00 C ATOM 596 O ILE A 41 -2.754 -5.604 7.174 1.00 1.00 O ATOM 597 CB ILE A 41 -1.318 -5.730 4.213 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.312 -5.311 2.728 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.558 -7.061 4.375 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.174 -6.145 1.770 1.00 1.00 C ATOM 0 H ILE A 41 -2.592 -3.645 4.673 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.337 -6.395 4.127 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.786 -4.994 4.816 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.642 -4.274 2.666 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.283 -5.340 2.371 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.442 -6.963 3.952 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.481 -7.309 5.433 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.096 -7.853 3.855 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.082 -5.748 0.759 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.836 -7.181 1.785 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.217 -6.099 2.085 1.00 1.00 H new ATOM 612 N GLU A 42 -3.050 -7.652 6.295 1.00 1.00 N ATOM 613 CA GLU A 42 -3.397 -8.383 7.536 1.00 1.00 C ATOM 614 C GLU A 42 -2.531 -8.126 8.789 1.00 1.00 C ATOM 615 O GLU A 42 -2.990 -8.381 9.904 1.00 1.00 O ATOM 616 CB GLU A 42 -3.489 -9.892 7.238 1.00 1.00 C ATOM 617 CG GLU A 42 -4.812 -10.292 6.569 1.00 1.00 C ATOM 618 CD GLU A 42 -5.968 -10.386 7.575 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.577 -9.331 7.871 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.240 -11.511 8.055 1.00 1.00 O ATOM 0 H GLU A 42 -2.967 -8.272 5.489 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.361 -7.964 7.824 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.660 -10.180 6.592 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.376 -10.448 8.169 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.062 -9.563 5.799 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.688 -11.253 6.070 1.00 1.00 H new ATOM 681 N ILE A 48 0.020 -0.368 6.571 1.00 1.00 N ATOM 682 CA ILE A 48 -0.510 0.960 6.211 1.00 1.00 C ATOM 683 C ILE A 48 -1.708 0.781 5.267 1.00 1.00 C ATOM 684 O ILE A 48 -1.630 0.038 4.285 1.00 1.00 O ATOM 685 CB ILE A 48 0.607 1.832 5.577 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.802 2.003 6.549 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.055 3.209 5.161 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.990 2.792 5.979 1.00 1.00 C ATOM 0 HA ILE A 48 -0.853 1.482 7.104 1.00 1.00 H new ATOM 0 HB ILE A 48 0.964 1.317 4.685 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.450 2.505 7.450 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.151 1.015 6.850 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.855 3.803 4.719 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.743 3.076 4.431 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.337 3.724 6.038 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.776 2.859 6.731 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.375 2.282 5.096 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.663 3.795 5.705 1.00 1.00 H new ATOM 700 N SER A 49 -2.827 1.442 5.575 1.00 1.00 N ATOM 701 CA SER A 49 -4.047 1.430 4.756 1.00 1.00 C ATOM 702 C SER A 49 -3.898 2.213 3.440 1.00 1.00 C ATOM 703 O SER A 49 -3.131 3.176 3.347 1.00 1.00 O ATOM 704 CB SER A 49 -5.235 1.976 5.563 1.00 1.00 C ATOM 705 OG SER A 49 -4.935 3.241 6.133 1.00 1.00 O ATOM 0 H SER A 49 -2.914 2.012 6.416 1.00 1.00 H new ATOM 0 HA SER A 49 -4.230 0.390 4.485 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.107 2.065 4.915 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.495 1.271 6.353 1.00 1.00 H new ATOM 0 HG SER A 49 -5.710 3.564 6.639 1.00 1.00 H new ATOM 711 N LYS A 50 -4.658 1.804 2.418 1.00 1.00 N ATOM 712 CA LYS A 50 -4.671 2.359 1.052 1.00 1.00 C ATOM 713 C LYS A 50 -6.097 2.371 0.489 1.00 1.00 C ATOM 714 O LYS A 50 -6.962 1.637 0.973 1.00 1.00 O ATOM 715 CB LYS A 50 -3.776 1.498 0.132 1.00 1.00 C ATOM 716 CG LYS A 50 -2.303 1.345 0.550 1.00 1.00 C ATOM 717 CD LYS A 50 -1.500 2.651 0.435 1.00 1.00 C ATOM 718 CE LYS A 50 -0.109 2.524 1.069 1.00 1.00 C ATOM 719 NZ LYS A 50 0.735 1.537 0.364 1.00 1.00 N ATOM 0 H LYS A 50 -5.319 1.034 2.524 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.293 3.381 1.092 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.216 0.503 0.063 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.803 1.928 -0.869 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.260 0.989 1.579 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.834 0.582 -0.071 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.397 2.923 -0.616 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.048 3.458 0.921 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.384 3.496 1.058 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.213 2.231 2.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.727 1.660 0.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.421 0.576 0.607 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.652 1.679 -0.663 1.00 1.00 H new ATOM 733 N SER A 51 -6.343 3.166 -0.552 1.00 1.00 N ATOM 734 CA SER A 51 -7.596 3.118 -1.322 1.00 1.00 C ATOM 735 C SER A 51 -7.755 1.771 -2.034 1.00 1.00 C ATOM 736 O SER A 51 -6.766 1.127 -2.393 1.00 1.00 O ATOM 737 CB SER A 51 -7.643 4.254 -2.352 1.00 1.00 C ATOM 738 OG SER A 51 -7.547 5.513 -1.702 1.00 1.00 O ATOM 0 H SER A 51 -5.681 3.864 -0.890 1.00 1.00 H new ATOM 0 HA SER A 51 -8.419 3.240 -0.618 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.826 4.142 -3.065 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.571 4.200 -2.920 1.00 1.00 H new ATOM 0 HG SER A 51 -7.576 6.229 -2.370 1.00 1.00 H new ATOM 744 N ALA A 52 -9.000 1.346 -2.258 1.00 1.00 N ATOM 745 CA ALA A 52 -9.308 0.023 -2.804 1.00 1.00 C ATOM 746 C ALA A 52 -10.519 0.007 -3.756 1.00 1.00 C ATOM 747 O ALA A 52 -11.483 0.744 -3.550 1.00 1.00 O ATOM 748 CB ALA A 52 -9.524 -0.944 -1.633 1.00 1.00 C ATOM 0 H ALA A 52 -9.826 1.912 -2.065 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.461 -0.288 -3.416 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.755 -1.937 -2.019 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.618 -0.991 -1.028 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.352 -0.592 -1.018 1.00 1.00 H new ATOM 754 N VAL A 53 -10.483 -0.884 -4.752 1.00 1.00 N ATOM 755 CA VAL A 53 -11.571 -1.211 -5.700 1.00 1.00 C ATOM 756 C VAL A 53 -11.806 -2.726 -5.773 1.00 1.00 C ATOM 757 O VAL A 53 -10.899 -3.511 -5.484 1.00 1.00 O ATOM 758 CB VAL A 53 -11.295 -0.668 -7.119 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.198 0.857 -7.117 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.031 -1.243 -7.775 1.00 1.00 C ATOM 0 H VAL A 53 -9.644 -1.434 -4.935 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.467 -0.723 -5.316 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.148 -0.996 -7.713 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -11.003 1.211 -8.130 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.136 1.281 -6.759 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.385 1.169 -6.461 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.908 -0.812 -8.768 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.161 -1.000 -7.164 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.125 -2.326 -7.859 1.00 1.00 H new ATOM 770 N SER A 54 -13.000 -3.166 -6.188 1.00 1.00 N ATOM 771 CA SER A 54 -13.257 -4.591 -6.446 1.00 1.00 C ATOM 772 C SER A 54 -12.684 -5.020 -7.803 1.00 1.00 C ATOM 773 O SER A 54 -13.009 -4.440 -8.841 1.00 1.00 O ATOM 774 CB SER A 54 -14.753 -4.919 -6.403 1.00 1.00 C ATOM 775 OG SER A 54 -14.906 -6.325 -6.550 1.00 1.00 O ATOM 0 H SER A 54 -13.803 -2.559 -6.352 1.00 1.00 H new ATOM 0 HA SER A 54 -12.757 -5.145 -5.651 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.188 -4.586 -5.460 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.280 -4.394 -7.200 1.00 1.00 H new ATOM 0 HG SER A 54 -15.051 -6.732 -5.670 1.00 1.00 H new ATOM 781 N PHE A 55 -11.855 -6.066 -7.800 1.00 1.00 N ATOM 782 CA PHE A 55 -11.362 -6.739 -9.009 1.00 1.00 C ATOM 783 C PHE A 55 -12.383 -7.727 -9.614 1.00 1.00 C ATOM 784 O PHE A 55 -12.239 -8.152 -10.762 1.00 1.00 O ATOM 785 CB PHE A 55 -10.070 -7.479 -8.646 1.00 1.00 C ATOM 786 CG PHE A 55 -9.280 -8.011 -9.830 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.504 -7.135 -10.614 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.297 -9.387 -10.138 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.745 -7.629 -11.690 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.535 -9.881 -11.213 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.757 -9.003 -11.986 1.00 1.00 C ATOM 0 H PHE A 55 -11.498 -6.480 -6.939 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.186 -5.980 -9.772 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.431 -6.805 -8.076 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.319 -8.313 -7.990 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.492 -6.079 -10.388 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -9.897 -10.064 -9.547 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.153 -6.953 -12.289 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.548 -10.936 -11.444 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.168 -9.384 -12.807 1.00 1.00 H new ATOM 801 N ASP A 56 -13.426 -8.086 -8.858 1.00 1.00 N ATOM 802 CA ASP A 56 -14.371 -9.169 -9.178 1.00 1.00 C ATOM 803 C ASP A 56 -15.839 -8.686 -9.229 1.00 1.00 C ATOM 804 O ASP A 56 -16.771 -9.490 -9.181 1.00 1.00 O ATOM 805 CB ASP A 56 -14.129 -10.308 -8.171 1.00 1.00 C ATOM 806 CG ASP A 56 -14.865 -11.606 -8.531 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.652 -12.106 -9.662 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.619 -12.117 -7.669 1.00 1.00 O ATOM 0 H ASP A 56 -13.645 -7.618 -7.979 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.190 -9.540 -10.187 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.059 -10.510 -8.112 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.447 -9.981 -7.181 1.00 1.00 H new ATOM 813 N ASN A 57 -16.045 -7.364 -9.319 1.00 1.00 N ATOM 814 CA ASN A 57 -17.342 -6.675 -9.266 1.00 1.00 C ATOM 815 C ASN A 57 -18.249 -7.149 -8.109 1.00 1.00 C ATOM 816 O ASN A 57 -19.442 -7.407 -8.289 1.00 1.00 O ATOM 817 CB ASN A 57 -18.021 -6.706 -10.651 1.00 1.00 C ATOM 818 CG ASN A 57 -17.231 -5.975 -11.722 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.636 -6.569 -12.610 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.207 -4.661 -11.681 1.00 1.00 N ATOM 0 H ASN A 57 -15.269 -6.712 -9.437 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.152 -5.630 -9.023 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.161 -7.743 -10.956 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -19.012 -6.260 -10.572 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.692 -4.138 -12.390 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.703 -4.165 -10.941 1.00 1.00 H new ATOM 827 N GLN A 58 -17.673 -7.264 -6.911 1.00 1.00 N ATOM 828 CA GLN A 58 -18.366 -7.625 -5.671 1.00 1.00 C ATOM 829 C GLN A 58 -18.553 -6.399 -4.768 1.00 1.00 C ATOM 830 O GLN A 58 -17.764 -5.456 -4.812 1.00 1.00 O ATOM 831 CB GLN A 58 -17.559 -8.690 -4.909 1.00 1.00 C ATOM 832 CG GLN A 58 -17.307 -9.983 -5.700 1.00 1.00 C ATOM 833 CD GLN A 58 -18.590 -10.637 -6.214 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.458 -11.049 -5.455 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.772 -10.743 -7.512 1.00 1.00 N ATOM 0 H GLN A 58 -16.676 -7.103 -6.772 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.346 -8.020 -5.937 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.599 -8.263 -4.620 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.087 -8.939 -3.989 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.656 -9.762 -6.546 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.775 -10.692 -5.065 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.058 -10.404 -8.156 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.628 -11.164 -7.874 1.00 1.00 H new ATOM 844 N GLN A 59 -19.587 -6.423 -3.922 1.00 1.00 N ATOM 845 CA GLN A 59 -19.772 -5.437 -2.858 1.00 1.00 C ATOM 846 C GLN A 59 -19.048 -5.954 -1.603 1.00 1.00 C ATOM 847 O GLN A 59 -19.379 -7.020 -1.077 1.00 1.00 O ATOM 848 CB GLN A 59 -21.278 -5.189 -2.634 1.00 1.00 C ATOM 849 CG GLN A 59 -21.603 -3.848 -1.949 1.00 1.00 C ATOM 850 CD GLN A 59 -21.017 -3.712 -0.544 1.00 1.00 C ATOM 851 OE1 GLN A 59 -20.076 -2.967 -0.306 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.526 -4.444 0.422 1.00 1.00 N ATOM 0 H GLN A 59 -20.321 -7.130 -3.958 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.341 -4.472 -3.123 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.788 -5.225 -3.597 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.682 -6.000 -2.029 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.227 -3.034 -2.569 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.685 -3.733 -1.893 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.310 -5.067 0.230 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -21.136 -4.389 1.363 1.00 1.00 H new ATOM 861 N ILE A 60 -18.041 -5.212 -1.145 1.00 1.00 N ATOM 862 CA ILE A 60 -17.103 -5.609 -0.089 1.00 1.00 C ATOM 863 C ILE A 60 -17.251 -4.646 1.093 1.00 1.00 C ATOM 864 O ILE A 60 -16.636 -3.580 1.136 1.00 1.00 O ATOM 865 CB ILE A 60 -15.642 -5.713 -0.602 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.506 -6.209 -2.065 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.893 -6.640 0.359 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.062 -6.277 -2.583 1.00 1.00 C ATOM 0 H ILE A 60 -17.846 -4.281 -1.512 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.351 -6.615 0.248 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.216 -4.710 -0.619 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.953 -7.200 -2.142 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.081 -5.548 -2.714 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.858 -6.741 0.034 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.918 -6.219 1.364 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.369 -7.620 0.364 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -14.061 -6.634 -3.613 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.614 -5.284 -2.542 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.484 -6.962 -1.962 1.00 1.00 H new ATOM 880 N SER A 61 -18.129 -5.001 2.029 1.00 1.00 N ATOM 881 CA SER A 61 -18.395 -4.233 3.252 1.00 1.00 C ATOM 882 C SER A 61 -17.177 -4.136 4.187 1.00 1.00 C ATOM 883 O SER A 61 -16.214 -4.901 4.080 1.00 1.00 O ATOM 884 CB SER A 61 -19.565 -4.867 4.015 1.00 1.00 C ATOM 885 OG SER A 61 -20.724 -4.904 3.197 1.00 1.00 O ATOM 0 H SER A 61 -18.690 -5.850 1.960 1.00 1.00 H new ATOM 0 HA SER A 61 -18.639 -3.219 2.936 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.300 -5.877 4.327 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.769 -4.296 4.921 1.00 1.00 H new ATOM 0 HG SER A 61 -20.735 -5.738 2.682 1.00 1.00 H new ATOM 891 N TYR A 62 -17.250 -3.214 5.152 1.00 1.00 N ATOM 892 CA TYR A 62 -16.302 -3.090 6.265 1.00 1.00 C ATOM 893 C TYR A 62 -16.081 -4.426 7.003 1.00 1.00 C ATOM 894 O TYR A 62 -17.033 -5.168 7.266 1.00 1.00 O ATOM 895 CB TYR A 62 -16.849 -2.030 7.239 1.00 1.00 C ATOM 896 CG TYR A 62 -15.958 -1.742 8.435 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.014 -2.555 9.586 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.072 -0.652 8.395 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.160 -2.300 10.676 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.216 -0.391 9.483 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.253 -1.217 10.625 1.00 1.00 C ATOM 902 OH TYR A 62 -13.422 -0.960 11.673 1.00 1.00 O ATOM 0 H TYR A 62 -17.991 -2.513 5.182 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.332 -2.793 5.866 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.008 -1.101 6.691 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.824 -2.358 7.601 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -16.714 -3.376 9.632 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -15.047 -0.011 7.526 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -15.198 -2.932 11.551 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.531 0.443 9.442 1.00 1.00 H new ATOM 0 HH TYR A 62 -12.866 -0.180 11.466 1.00 1.00 H new ATOM 912 N GLY A 63 -14.833 -4.711 7.385 1.00 1.00 N ATOM 913 CA GLY A 63 -14.494 -5.820 8.279 1.00 1.00 C ATOM 914 C GLY A 63 -14.483 -7.214 7.639 1.00 1.00 C ATOM 915 O GLY A 63 -14.811 -8.184 8.325 1.00 1.00 O ATOM 0 H GLY A 63 -14.022 -4.173 7.079 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.510 -5.629 8.706 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.205 -5.826 9.105 1.00 1.00 H new ATOM 919 N THR A 64 -14.102 -7.342 6.360 1.00 1.00 N ATOM 920 CA THR A 64 -13.969 -8.650 5.682 1.00 1.00 C ATOM 921 C THR A 64 -12.577 -8.868 5.090 1.00 1.00 C ATOM 922 O THR A 64 -11.860 -7.914 4.776 1.00 1.00 O ATOM 923 CB THR A 64 -15.063 -8.856 4.623 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.272 -10.239 4.443 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.738 -8.270 3.253 1.00 1.00 C ATOM 0 H THR A 64 -13.877 -6.546 5.763 1.00 1.00 H new ATOM 0 HA THR A 64 -14.105 -9.408 6.453 1.00 1.00 H new ATOM 0 HB THR A 64 -15.941 -8.334 5.003 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.970 -10.379 3.770 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.565 -8.462 2.570 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.585 -7.195 3.344 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.831 -8.734 2.865 1.00 1.00 H new ATOM 933 N THR A 65 -12.196 -10.137 4.955 1.00 1.00 N ATOM 934 CA THR A 65 -10.849 -10.567 4.555 1.00 1.00 C ATOM 935 C THR A 65 -10.770 -10.738 3.038 1.00 1.00 C ATOM 936 O THR A 65 -11.541 -11.487 2.431 1.00 1.00 O ATOM 937 CB THR A 65 -10.462 -11.864 5.276 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.579 -11.669 6.671 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.016 -12.270 5.000 1.00 1.00 C ATOM 0 H THR A 65 -12.829 -10.918 5.124 1.00 1.00 H new ATOM 0 HA THR A 65 -10.137 -9.794 4.846 1.00 1.00 H new ATOM 0 HB THR A 65 -11.128 -12.645 4.910 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.335 -12.495 7.138 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.790 -13.194 5.532 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.880 -12.425 3.930 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.345 -11.481 5.341 1.00 1.00 H new ATOM 947 N VAL A 66 -9.800 -10.060 2.426 1.00 1.00 N ATOM 948 CA VAL A 66 -9.664 -9.894 0.971 1.00 1.00 C ATOM 949 C VAL A 66 -8.256 -10.219 0.486 1.00 1.00 C ATOM 950 O VAL A 66 -7.284 -9.958 1.182 1.00 1.00 O ATOM 951 CB VAL A 66 -10.036 -8.457 0.545 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.514 -8.135 0.770 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.232 -7.368 1.269 1.00 1.00 C ATOM 0 H VAL A 66 -9.057 -9.592 2.945 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.354 -10.600 0.509 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.796 -8.444 -0.518 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.716 -7.112 0.452 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.129 -8.823 0.190 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.752 -8.240 1.828 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.550 -6.387 0.917 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.405 -7.442 2.343 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.170 -7.502 1.062 1.00 1.00 H new ATOM 963 N LEU A 67 -8.120 -10.782 -0.711 1.00 1.00 N ATOM 964 CA LEU A 67 -6.826 -10.942 -1.384 1.00 1.00 C ATOM 965 C LEU A 67 -6.602 -9.737 -2.305 1.00 1.00 C ATOM 966 O LEU A 67 -7.475 -9.425 -3.120 1.00 1.00 O ATOM 967 CB LEU A 67 -6.846 -12.273 -2.160 1.00 1.00 C ATOM 968 CG LEU A 67 -5.539 -12.616 -2.899 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.396 -12.904 -1.922 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.749 -13.863 -3.759 1.00 1.00 C ATOM 0 H LEU A 67 -8.908 -11.144 -1.249 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.001 -10.976 -0.673 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.074 -13.079 -1.463 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.658 -12.241 -2.886 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.275 -11.754 -3.512 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.491 -13.142 -2.481 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.219 -12.026 -1.301 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.664 -13.749 -1.288 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.823 -14.105 -4.281 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.036 -14.700 -3.122 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.538 -13.674 -4.487 1.00 1.00 H new ATOM 982 N VAL A 68 -5.456 -9.054 -2.194 1.00 1.00 N ATOM 983 CA VAL A 68 -5.073 -8.031 -3.181 1.00 1.00 C ATOM 984 C VAL A 68 -4.570 -8.758 -4.428 1.00 1.00 C ATOM 985 O VAL A 68 -3.647 -9.566 -4.345 1.00 1.00 O ATOM 986 CB VAL A 68 -4.006 -7.047 -2.659 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.888 -5.860 -3.620 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.346 -6.502 -1.264 1.00 1.00 C ATOM 0 H VAL A 68 -4.782 -9.187 -1.440 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.947 -7.419 -3.403 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.068 -7.599 -2.595 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.134 -5.166 -3.250 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.597 -6.219 -4.607 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.849 -5.350 -3.688 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.564 -5.814 -0.942 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.300 -5.976 -1.302 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.416 -7.329 -0.557 1.00 1.00 H new ATOM 998 N VAL A 69 -5.193 -8.491 -5.575 1.00 1.00 N ATOM 999 CA VAL A 69 -4.998 -9.239 -6.833 1.00 1.00 C ATOM 1000 C VAL A 69 -4.428 -8.381 -7.970 1.00 1.00 C ATOM 1001 O VAL A 69 -3.806 -8.914 -8.890 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.293 -9.952 -7.266 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.512 -11.223 -6.438 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.543 -9.079 -7.128 1.00 1.00 C ATOM 0 H VAL A 69 -5.866 -7.730 -5.666 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.243 -9.996 -6.619 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.156 -10.188 -8.321 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.432 -11.712 -6.759 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.671 -11.901 -6.583 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.590 -10.961 -5.383 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.418 -9.643 -7.450 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.666 -8.782 -6.087 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.436 -8.190 -7.749 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.565 -7.056 -7.893 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.886 -6.086 -8.765 1.00 1.00 C ATOM 1016 C ASP A 70 -3.659 -4.780 -7.981 1.00 1.00 C ATOM 1017 O ASP A 70 -4.271 -4.586 -6.933 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.673 -5.850 -10.070 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.765 -5.635 -11.288 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.674 -5.040 -11.117 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -4.167 -6.058 -12.398 1.00 1.00 O ATOM 0 H ASP A 70 -5.169 -6.611 -7.202 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.918 -6.487 -9.065 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.323 -6.705 -10.255 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.318 -4.980 -9.946 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.767 -3.897 -8.435 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.347 -2.688 -7.699 1.00 1.00 C ATOM 1028 C ILE A 71 -2.003 -1.562 -8.686 1.00 1.00 C ATOM 1029 O ILE A 71 -1.335 -1.792 -9.696 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.149 -3.019 -6.764 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.575 -4.044 -5.683 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.587 -1.761 -6.085 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.628 -4.252 -4.502 1.00 1.00 C ATOM 0 H ILE A 71 -2.305 -3.998 -9.339 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.170 -2.342 -7.073 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.363 -3.447 -7.387 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.543 -3.735 -5.289 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.722 -5.007 -6.171 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.248 -2.037 -5.441 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.242 -1.060 -6.845 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.367 -1.292 -5.486 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.049 -4.994 -3.824 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.338 -4.601 -4.867 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.496 -3.309 -3.971 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.443 -0.336 -8.380 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.264 0.853 -9.216 1.00 1.00 C ATOM 1047 C ASN A 72 -2.027 2.124 -8.367 1.00 1.00 C ATOM 1048 O ASN A 72 -2.972 2.796 -7.959 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.494 0.969 -10.138 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.358 2.099 -11.147 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.984 3.144 -11.049 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.527 1.930 -12.151 1.00 1.00 N ATOM 0 H ASN A 72 -2.949 -0.140 -7.516 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.367 0.753 -9.826 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.637 0.027 -10.668 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.385 1.132 -9.532 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.407 2.669 -12.844 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -2.002 1.060 -12.238 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.753 2.448 -8.102 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.272 3.707 -7.500 1.00 1.00 C ATOM 1061 C ASN A 73 -1.126 4.262 -6.328 1.00 1.00 C ATOM 1062 O ASN A 73 -1.595 5.403 -6.358 1.00 1.00 O ATOM 1063 CB ASN A 73 -0.049 4.721 -8.642 1.00 1.00 C ATOM 1064 CG ASN A 73 0.715 5.965 -8.205 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.542 5.943 -7.302 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.479 7.090 -8.840 1.00 1.00 N ATOM 0 H ASN A 73 0.012 1.807 -8.312 1.00 1.00 H new ATOM 0 HA ASN A 73 0.671 3.499 -6.994 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.497 4.233 -9.450 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -1.016 5.021 -9.046 1.00 1.00 H new ATOM 0 HD21 ASN A 73 0.983 7.938 -8.580 1.00 1.00 H new ATOM 0 HD22 ASN A 73 -0.208 7.116 -9.593 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.372 3.433 -5.309 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.151 3.783 -4.109 1.00 1.00 C ATOM 1075 C GLY A 74 -3.611 3.312 -4.130 1.00 1.00 C ATOM 1076 O GLY A 74 -4.298 3.421 -3.114 1.00 1.00 O ATOM 0 H GLY A 74 -1.027 2.473 -5.292 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.658 3.355 -3.236 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.135 4.866 -3.986 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.073 2.757 -5.256 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.406 2.163 -5.443 1.00 1.00 C ATOM 1082 C VAL A 75 -5.234 0.668 -5.714 1.00 1.00 C ATOM 1083 O VAL A 75 -4.801 0.248 -6.788 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.201 2.850 -6.574 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.648 2.339 -6.587 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.241 4.376 -6.410 1.00 1.00 C ATOM 0 H VAL A 75 -3.504 2.706 -6.101 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.990 2.313 -4.535 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.692 2.608 -7.507 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.200 2.830 -7.388 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.652 1.261 -6.751 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.121 2.562 -5.631 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.811 4.815 -7.229 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.716 4.628 -5.462 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.225 4.770 -6.423 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.506 -0.141 -4.695 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.392 -1.597 -4.733 1.00 1.00 C ATOM 1098 C LEU A 76 -6.677 -2.209 -5.313 1.00 1.00 C ATOM 1099 O LEU A 76 -7.779 -1.737 -5.043 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.129 -2.086 -3.293 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.663 -1.962 -2.823 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.066 -0.553 -2.912 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.545 -2.428 -1.374 1.00 1.00 C ATOM 0 H LEU A 76 -5.822 0.209 -3.791 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.569 -1.909 -5.377 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.763 -1.520 -2.611 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.432 -3.130 -3.218 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.097 -2.589 -3.512 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.035 -0.572 -2.559 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.089 -0.213 -3.947 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.649 0.129 -2.293 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.509 -2.339 -1.046 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.181 -1.810 -0.740 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.861 -3.469 -1.300 1.00 1.00 H new ATOM 1115 N SER A 77 -6.556 -3.306 -6.052 1.00 1.00 N ATOM 1116 CA SER A 77 -7.681 -4.074 -6.598 1.00 1.00 C ATOM 1117 C SER A 77 -7.774 -5.385 -5.833 1.00 1.00 C ATOM 1118 O SER A 77 -6.818 -6.164 -5.808 1.00 1.00 O ATOM 1119 CB SER A 77 -7.503 -4.355 -8.092 1.00 1.00 C ATOM 1120 OG SER A 77 -7.285 -3.156 -8.820 1.00 1.00 O ATOM 0 H SER A 77 -5.648 -3.701 -6.298 1.00 1.00 H new ATOM 0 HA SER A 77 -8.596 -3.492 -6.486 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.660 -5.031 -8.239 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.388 -4.861 -8.477 1.00 1.00 H new ATOM 0 HG SER A 77 -7.173 -3.366 -9.771 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.913 -5.628 -5.188 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.077 -6.730 -4.228 1.00 1.00 C ATOM 1128 C VAL A 78 -10.321 -7.575 -4.505 1.00 1.00 C ATOM 1129 O VAL A 78 -11.241 -7.150 -5.204 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.054 -6.209 -2.770 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.919 -5.211 -2.504 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.355 -5.526 -2.334 1.00 1.00 C ATOM 0 H VAL A 78 -9.755 -5.066 -5.314 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.222 -7.393 -4.362 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.905 -7.120 -2.190 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.958 -4.884 -1.465 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.960 -5.691 -2.698 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.032 -4.348 -3.160 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.261 -5.189 -1.302 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.550 -4.669 -2.979 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.181 -6.233 -2.410 1.00 1.00 H new ATOM 1142 N THR A 79 -10.361 -8.775 -3.933 1.00 1.00 N ATOM 1143 CA THR A 79 -11.514 -9.691 -3.994 1.00 1.00 C ATOM 1144 C THR A 79 -11.667 -10.443 -2.659 1.00 1.00 C ATOM 1145 O THR A 79 -10.649 -10.772 -2.041 1.00 1.00 O ATOM 1146 CB THR A 79 -11.367 -10.644 -5.198 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.472 -11.513 -5.265 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.108 -11.517 -5.161 1.00 1.00 C ATOM 0 H THR A 79 -9.578 -9.154 -3.400 1.00 1.00 H new ATOM 0 HA THR A 79 -12.430 -9.120 -4.145 1.00 1.00 H new ATOM 0 HB THR A 79 -11.299 -9.990 -6.067 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.370 -12.113 -6.033 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.083 -12.157 -6.043 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.224 -10.880 -5.149 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.121 -12.136 -4.264 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.892 -10.679 -2.140 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.107 -11.307 -0.835 1.00 1.00 C ATOM 1158 C PRO A 80 -12.769 -12.806 -0.833 1.00 1.00 C ATOM 1159 O PRO A 80 -13.603 -13.667 -1.119 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.554 -10.997 -0.458 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.254 -10.884 -1.812 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.175 -10.272 -2.707 1.00 1.00 C ATOM 0 HA PRO A 80 -12.428 -10.905 -0.083 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.988 -11.787 0.155 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.631 -10.072 0.113 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.580 -11.857 -2.180 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.140 -10.251 -1.757 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.276 -10.624 -3.734 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.262 -9.186 -2.733 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.513 -13.110 -0.498 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.992 -14.471 -0.362 1.00 1.00 C ATOM 1172 C HIS A 81 -11.656 -15.225 0.810 1.00 1.00 C ATOM 1173 O HIS A 81 -11.933 -16.419 0.689 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.469 -14.387 -0.182 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.721 -15.706 -0.196 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.255 -16.974 -0.095 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.365 -15.863 -0.307 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.254 -17.867 -0.149 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.074 -17.234 -0.278 1.00 1.00 N ATOM 0 H HIS A 81 -10.811 -12.395 -0.309 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.228 -15.040 -1.261 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.065 -13.755 -0.973 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.263 -13.886 0.764 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.246 -17.196 0.004 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.642 -15.066 -0.401 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.378 -18.939 -0.096 1.00 1.00 H new