USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 828 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 66 SER OG : rot 180:sc= 0.00229 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.123 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 143:sc= -0.165 (180deg=-1.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 133:sc= 0.0919 USER MOD Single : A 17 SER OG : rot 109:sc= 1.43 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -8.7! C(o=-12!,f=-8.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -63:sc= 0.119 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -1.34 F(o=-1.9!,f=-1.3) USER MOD Single : A 57 THR OG1 : rot -49:sc= -0.117! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -1.07 USER MOD Single : A 72 GLN : amide:sc= -0.58 K(o=-0.58,f=-3!) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -5.92! C(o=-8.8!,f=-5.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -115:sc= -0.753 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.655 F(o=-1.7!,f=-0.66) USER MOD Single : A 99 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.84) USER MOD Single : A 102 THR OG1 : rot -44:sc= 0.598 USER MOD Single : A 104 SER OG : rot -45:sc= 0.603 USER MOD Single : A 107 SER OG : rot 51:sc= 0.997 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.696 -11.377 4.387 1.00 0.00 N ATOM 2 CA GLY A 1 -7.100 -11.538 4.725 1.00 0.00 C ATOM 3 C GLY A 1 -7.264 -12.036 6.163 1.00 0.00 C ATOM 4 O GLY A 1 -6.891 -13.165 6.478 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.611 -11.039 3.407 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.261 -10.686 5.031 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.209 -12.291 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.618 -10.587 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.565 -12.244 4.037 1.00 0.00 H new ATOM 8 N SER A 2 -7.822 -11.170 6.995 1.00 0.00 N ATOM 9 CA SER A 2 -8.040 -11.507 8.392 1.00 0.00 C ATOM 10 C SER A 2 -9.466 -12.025 8.588 1.00 0.00 C ATOM 11 O SER A 2 -10.297 -11.923 7.687 1.00 0.00 O ATOM 12 CB SER A 2 -7.783 -10.301 9.297 1.00 0.00 C ATOM 13 OG SER A 2 -7.835 -10.649 10.678 1.00 0.00 O ATOM 0 H SER A 2 -8.130 -10.235 6.729 1.00 0.00 H new ATOM 0 HA SER A 2 -7.334 -12.290 8.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.806 -9.877 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.523 -9.528 9.090 1.00 0.00 H new ATOM 0 HG SER A 2 -7.664 -9.852 11.223 1.00 0.00 H new ATOM 19 N SER A 3 -9.706 -12.568 9.773 1.00 0.00 N ATOM 20 CA SER A 3 -11.018 -13.102 10.099 1.00 0.00 C ATOM 21 C SER A 3 -11.876 -12.017 10.754 1.00 0.00 C ATOM 22 O SER A 3 -11.385 -11.244 11.576 1.00 0.00 O ATOM 23 CB SER A 3 -10.904 -14.317 11.021 1.00 0.00 C ATOM 24 OG SER A 3 -11.655 -15.427 10.536 1.00 0.00 O ATOM 0 H SER A 3 -9.015 -12.650 10.519 1.00 0.00 H new ATOM 0 HA SER A 3 -11.496 -13.425 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.856 -14.602 11.117 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.254 -14.050 12.018 1.00 0.00 H new ATOM 0 HG SER A 3 -11.555 -16.183 11.151 1.00 0.00 H new ATOM 30 N GLY A 4 -13.142 -11.995 10.366 1.00 0.00 N ATOM 31 CA GLY A 4 -14.073 -11.018 10.906 1.00 0.00 C ATOM 32 C GLY A 4 -14.236 -9.832 9.952 1.00 0.00 C ATOM 33 O GLY A 4 -14.034 -9.967 8.747 1.00 0.00 O ATOM 0 H GLY A 4 -13.545 -12.638 9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.041 -11.488 11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.715 -10.665 11.873 1.00 0.00 H new ATOM 37 N SER A 5 -14.602 -8.696 10.529 1.00 0.00 N ATOM 38 CA SER A 5 -14.795 -7.488 9.746 1.00 0.00 C ATOM 39 C SER A 5 -15.069 -6.302 10.673 1.00 0.00 C ATOM 40 O SER A 5 -16.212 -6.062 11.059 1.00 0.00 O ATOM 41 CB SER A 5 -15.942 -7.656 8.747 1.00 0.00 C ATOM 42 OG SER A 5 -16.411 -6.403 8.257 1.00 0.00 O ATOM 0 H SER A 5 -14.770 -8.587 11.529 1.00 0.00 H new ATOM 0 HA SER A 5 -13.882 -7.297 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.607 -8.270 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.764 -8.189 9.225 1.00 0.00 H new ATOM 0 HG SER A 5 -17.142 -6.553 7.621 1.00 0.00 H new ATOM 48 N SER A 6 -14.000 -5.591 11.004 1.00 0.00 N ATOM 49 CA SER A 6 -14.111 -4.436 11.878 1.00 0.00 C ATOM 50 C SER A 6 -13.131 -3.348 11.434 1.00 0.00 C ATOM 51 O SER A 6 -12.015 -3.647 11.013 1.00 0.00 O ATOM 52 CB SER A 6 -13.851 -4.822 13.336 1.00 0.00 C ATOM 53 OG SER A 6 -12.499 -5.220 13.550 1.00 0.00 O ATOM 0 H SER A 6 -13.053 -5.793 10.682 1.00 0.00 H new ATOM 0 HA SER A 6 -15.128 -4.050 11.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.087 -3.977 13.982 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.518 -5.636 13.620 1.00 0.00 H new ATOM 0 HG SER A 6 -12.373 -5.457 14.493 1.00 0.00 H new ATOM 59 N GLY A 7 -13.584 -2.108 11.544 1.00 0.00 N ATOM 60 CA GLY A 7 -12.762 -0.974 11.159 1.00 0.00 C ATOM 61 C GLY A 7 -12.684 -0.845 9.636 1.00 0.00 C ATOM 62 O GLY A 7 -13.606 -1.245 8.928 1.00 0.00 O ATOM 0 H GLY A 7 -14.510 -1.864 11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.176 -0.060 11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.759 -1.091 11.569 1.00 0.00 H new ATOM 66 N SER A 8 -11.575 -0.283 9.178 1.00 0.00 N ATOM 67 CA SER A 8 -11.365 -0.096 7.753 1.00 0.00 C ATOM 68 C SER A 8 -10.206 -0.973 7.275 1.00 0.00 C ATOM 69 O SER A 8 -9.464 -1.523 8.086 1.00 0.00 O ATOM 70 CB SER A 8 -11.089 1.373 7.425 1.00 0.00 C ATOM 71 OG SER A 8 -12.236 2.192 7.637 1.00 0.00 O ATOM 0 H SER A 8 -10.813 0.049 9.769 1.00 0.00 H new ATOM 0 HA SER A 8 -12.275 -0.392 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.267 1.734 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.769 1.459 6.386 1.00 0.00 H new ATOM 0 HG SER A 8 -12.019 3.122 7.418 1.00 0.00 H new ATOM 77 N THR A 9 -10.088 -1.076 5.959 1.00 0.00 N ATOM 78 CA THR A 9 -9.032 -1.877 5.363 1.00 0.00 C ATOM 79 C THR A 9 -7.666 -1.441 5.897 1.00 0.00 C ATOM 80 O THR A 9 -6.985 -2.211 6.573 1.00 0.00 O ATOM 81 CB THR A 9 -9.154 -1.765 3.842 1.00 0.00 C ATOM 82 OG1 THR A 9 -10.330 -2.506 3.533 1.00 0.00 O ATOM 83 CG2 THR A 9 -8.038 -2.512 3.109 1.00 0.00 C ATOM 0 H THR A 9 -10.706 -0.618 5.289 1.00 0.00 H new ATOM 0 HA THR A 9 -9.132 -2.928 5.635 1.00 0.00 H new ATOM 0 HB THR A 9 -9.138 -0.714 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.486 -2.484 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.171 -2.401 2.033 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.072 -2.099 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.074 -3.569 3.372 1.00 0.00 H new ATOM 91 N MET A 10 -7.306 -0.208 5.575 1.00 0.00 N ATOM 92 CA MET A 10 -6.034 0.340 6.014 1.00 0.00 C ATOM 93 C MET A 10 -6.085 1.868 6.070 1.00 0.00 C ATOM 94 O MET A 10 -6.873 2.493 5.362 1.00 0.00 O ATOM 95 CB MET A 10 -4.930 -0.099 5.050 1.00 0.00 C ATOM 96 CG MET A 10 -3.824 -0.854 5.790 1.00 0.00 C ATOM 97 SD MET A 10 -2.518 0.272 6.252 1.00 0.00 S ATOM 98 CE MET A 10 -2.279 -0.212 7.953 1.00 0.00 C ATOM 0 H MET A 10 -7.873 0.428 5.015 1.00 0.00 H new ATOM 0 HA MET A 10 -5.825 -0.034 7.016 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.353 -0.736 4.273 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.509 0.774 4.552 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.233 -1.334 6.679 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.425 -1.645 5.155 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.219 -0.162 8.200 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.836 0.462 8.605 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.637 -1.232 8.095 1.00 0.00 H new ATOM 108 N SER A 11 -5.234 2.426 6.919 1.00 0.00 N ATOM 109 CA SER A 11 -5.173 3.869 7.077 1.00 0.00 C ATOM 110 C SER A 11 -4.089 4.238 8.093 1.00 0.00 C ATOM 111 O SER A 11 -3.569 3.371 8.794 1.00 0.00 O ATOM 112 CB SER A 11 -6.525 4.433 7.516 1.00 0.00 C ATOM 113 OG SER A 11 -6.822 4.116 8.873 1.00 0.00 O ATOM 0 H SER A 11 -4.581 1.905 7.504 1.00 0.00 H new ATOM 0 HA SER A 11 -4.923 4.309 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.524 5.516 7.389 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.309 4.037 6.871 1.00 0.00 H new ATOM 0 HG SER A 11 -7.693 4.496 9.115 1.00 0.00 H new ATOM 119 N GLY A 12 -3.781 5.526 8.139 1.00 0.00 N ATOM 120 CA GLY A 12 -2.769 6.020 9.057 1.00 0.00 C ATOM 121 C GLY A 12 -1.820 6.993 8.354 1.00 0.00 C ATOM 122 O GLY A 12 -1.560 6.859 7.160 1.00 0.00 O ATOM 0 H GLY A 12 -4.214 6.242 7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.249 6.519 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.202 5.183 9.464 1.00 0.00 H new ATOM 126 N TYR A 13 -1.329 7.952 9.126 1.00 0.00 N ATOM 127 CA TYR A 13 -0.414 8.947 8.592 1.00 0.00 C ATOM 128 C TYR A 13 0.855 8.289 8.048 1.00 0.00 C ATOM 129 O TYR A 13 1.451 7.440 8.710 1.00 0.00 O ATOM 130 CB TYR A 13 -0.042 9.851 9.769 1.00 0.00 C ATOM 131 CG TYR A 13 -1.090 10.918 10.090 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.266 11.991 9.240 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.861 10.808 11.230 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.253 12.995 9.542 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.848 11.812 11.532 1.00 0.00 C ATOM 136 CZ TYR A 13 -2.995 12.856 10.673 1.00 0.00 C ATOM 137 OH TYR A 13 -3.927 13.804 10.959 1.00 0.00 O ATOM 0 H TYR A 13 -1.547 8.061 10.116 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.879 9.496 7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.115 9.233 10.653 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.906 10.342 9.551 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.663 12.078 8.348 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.724 9.969 11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.401 13.839 8.885 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.458 11.738 12.420 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.381 13.574 11.796 1.00 0.00 H new ATOM 147 N LEU A 14 1.232 8.706 6.848 1.00 0.00 N ATOM 148 CA LEU A 14 2.420 8.168 6.208 1.00 0.00 C ATOM 149 C LEU A 14 3.276 9.321 5.681 1.00 0.00 C ATOM 150 O LEU A 14 2.891 10.484 5.788 1.00 0.00 O ATOM 151 CB LEU A 14 2.035 7.148 5.135 1.00 0.00 C ATOM 152 CG LEU A 14 1.356 5.871 5.636 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.597 5.174 4.506 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.367 4.940 6.308 1.00 0.00 C ATOM 0 H LEU A 14 0.735 9.410 6.302 1.00 0.00 H new ATOM 0 HA LEU A 14 3.028 7.623 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.369 7.634 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.936 6.867 4.589 1.00 0.00 H new ATOM 0 HG LEU A 14 0.622 6.149 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.124 4.270 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.167 5.845 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.292 4.910 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.859 4.040 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.141 4.666 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.822 5.450 7.157 1.00 0.00 H new ATOM 166 N TYR A 15 4.422 8.958 5.123 1.00 0.00 N ATOM 167 CA TYR A 15 5.336 9.948 4.578 1.00 0.00 C ATOM 168 C TYR A 15 5.646 9.658 3.108 1.00 0.00 C ATOM 169 O TYR A 15 6.373 8.716 2.797 1.00 0.00 O ATOM 170 CB TYR A 15 6.625 9.824 5.393 1.00 0.00 C ATOM 171 CG TYR A 15 6.439 10.060 6.893 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.532 11.002 7.336 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.177 9.331 7.803 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.357 11.224 8.748 1.00 0.00 C ATOM 175 CE2 TYR A 15 7.001 9.553 9.215 1.00 0.00 C ATOM 176 CZ TYR A 15 6.100 10.489 9.618 1.00 0.00 C ATOM 177 OH TYR A 15 5.934 10.699 10.951 1.00 0.00 O ATOM 0 H TYR A 15 4.738 7.992 5.037 1.00 0.00 H new ATOM 0 HA TYR A 15 4.900 10.945 4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.044 8.829 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.354 10.539 5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.954 11.572 6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.886 8.594 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.651 11.958 9.108 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.572 8.989 9.938 1.00 0.00 H new ATOM 0 HH TYR A 15 5.837 9.838 11.408 1.00 0.00 H new ATOM 187 N ARG A 16 5.079 10.486 2.243 1.00 0.00 N ATOM 188 CA ARG A 16 5.285 10.330 0.813 1.00 0.00 C ATOM 189 C ARG A 16 6.490 11.157 0.358 1.00 0.00 C ATOM 190 O ARG A 16 6.418 12.383 0.297 1.00 0.00 O ATOM 191 CB ARG A 16 4.048 10.768 0.027 1.00 0.00 C ATOM 192 CG ARG A 16 3.842 9.888 -1.207 1.00 0.00 C ATOM 193 CD ARG A 16 2.410 10.006 -1.733 1.00 0.00 C ATOM 194 NE ARG A 16 2.152 8.954 -2.741 1.00 0.00 N ATOM 195 CZ ARG A 16 1.119 8.968 -3.594 1.00 0.00 C ATOM 196 NH1 ARG A 16 0.241 9.980 -3.566 1.00 0.00 N ATOM 197 NH2 ARG A 16 0.964 7.971 -4.475 1.00 0.00 N ATOM 0 H ARG A 16 4.477 11.267 2.505 1.00 0.00 H new ATOM 0 HA ARG A 16 5.470 9.274 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.168 10.714 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.156 11.809 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.545 10.180 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.057 8.849 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.703 9.913 -0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.256 10.990 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 16 2.801 8.169 -2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.359 10.739 -2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.546 9.991 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.633 7.201 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.177 7.982 -5.124 1.00 0.00 H new ATOM 211 N SER A 17 7.568 10.452 0.050 1.00 0.00 N ATOM 212 CA SER A 17 8.786 11.105 -0.398 1.00 0.00 C ATOM 213 C SER A 17 8.994 10.857 -1.893 1.00 0.00 C ATOM 214 O SER A 17 8.206 10.155 -2.525 1.00 0.00 O ATOM 215 CB SER A 17 9.999 10.613 0.395 1.00 0.00 C ATOM 216 OG SER A 17 10.460 11.589 1.325 1.00 0.00 O ATOM 0 H SER A 17 7.624 9.435 0.102 1.00 0.00 H new ATOM 0 HA SER A 17 8.682 12.176 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.737 9.699 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.805 10.360 -0.294 1.00 0.00 H new ATOM 0 HG SER A 17 10.247 11.299 2.236 1.00 0.00 H new ATOM 222 N LYS A 18 10.059 11.446 -2.416 1.00 0.00 N ATOM 223 CA LYS A 18 10.380 11.298 -3.826 1.00 0.00 C ATOM 224 C LYS A 18 11.738 10.607 -3.965 1.00 0.00 C ATOM 225 O LYS A 18 12.255 10.462 -5.072 1.00 0.00 O ATOM 226 CB LYS A 18 10.302 12.649 -4.538 1.00 0.00 C ATOM 227 CG LYS A 18 8.894 12.903 -5.079 1.00 0.00 C ATOM 228 CD LYS A 18 8.926 13.184 -6.583 1.00 0.00 C ATOM 229 CE LYS A 18 8.055 14.392 -6.934 1.00 0.00 C ATOM 230 NZ LYS A 18 7.464 14.231 -8.281 1.00 0.00 N ATOM 0 H LYS A 18 10.711 12.027 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 18 9.646 10.661 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.579 13.445 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.020 12.674 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.263 12.037 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.447 13.749 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.953 13.367 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.575 12.308 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.263 14.504 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.654 15.302 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.876 15.059 -8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.224 14.147 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.876 13.373 -8.302 1.00 0.00 H new ATOM 244 N GLY A 19 12.278 10.198 -2.826 1.00 0.00 N ATOM 245 CA GLY A 19 13.566 9.526 -2.807 1.00 0.00 C ATOM 246 C GLY A 19 14.019 9.249 -1.372 1.00 0.00 C ATOM 247 O GLY A 19 13.192 9.063 -0.481 1.00 0.00 O ATOM 0 H GLY A 19 11.847 10.319 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.499 8.588 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.309 10.142 -3.314 1.00 0.00 H new ATOM 251 N SER A 20 15.332 9.231 -1.192 1.00 0.00 N ATOM 252 CA SER A 20 15.904 8.981 0.119 1.00 0.00 C ATOM 253 C SER A 20 16.299 10.303 0.779 1.00 0.00 C ATOM 254 O SER A 20 15.851 10.609 1.883 1.00 0.00 O ATOM 255 CB SER A 20 17.117 8.053 0.022 1.00 0.00 C ATOM 256 OG SER A 20 16.911 6.830 0.724 1.00 0.00 O ATOM 0 H SER A 20 16.016 9.386 -1.933 1.00 0.00 H new ATOM 0 HA SER A 20 15.150 8.488 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.327 7.839 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.994 8.559 0.425 1.00 0.00 H new ATOM 0 HG SER A 20 17.707 6.265 0.637 1.00 0.00 H new ATOM 262 N LYS A 21 17.135 11.053 0.075 1.00 0.00 N ATOM 263 CA LYS A 21 17.595 12.336 0.579 1.00 0.00 C ATOM 264 C LYS A 21 16.520 13.394 0.326 1.00 0.00 C ATOM 265 O LYS A 21 16.737 14.578 0.581 1.00 0.00 O ATOM 266 CB LYS A 21 18.958 12.689 -0.020 1.00 0.00 C ATOM 267 CG LYS A 21 20.053 11.773 0.531 1.00 0.00 C ATOM 268 CD LYS A 21 21.433 12.417 0.382 1.00 0.00 C ATOM 269 CE LYS A 21 22.480 11.667 1.207 1.00 0.00 C ATOM 270 NZ LYS A 21 23.561 11.158 0.333 1.00 0.00 N ATOM 0 H LYS A 21 17.505 10.797 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 21 17.748 12.289 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.916 12.600 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.200 13.728 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.859 11.560 1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.034 10.819 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.726 12.419 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.389 13.458 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.898 12.330 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.010 10.837 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.263 10.651 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.160 10.509 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.021 11.956 -0.151 1.00 0.00 H new ATOM 284 N LYS A 22 15.383 12.929 -0.172 1.00 0.00 N ATOM 285 CA LYS A 22 14.273 13.821 -0.462 1.00 0.00 C ATOM 286 C LYS A 22 13.488 14.086 0.824 1.00 0.00 C ATOM 287 O LYS A 22 13.529 13.285 1.757 1.00 0.00 O ATOM 288 CB LYS A 22 13.419 13.260 -1.600 1.00 0.00 C ATOM 289 CG LYS A 22 14.077 13.515 -2.957 1.00 0.00 C ATOM 290 CD LYS A 22 13.439 14.715 -3.660 1.00 0.00 C ATOM 291 CE LYS A 22 14.033 14.911 -5.056 1.00 0.00 C ATOM 292 NZ LYS A 22 12.958 15.137 -6.049 1.00 0.00 N ATOM 0 H LYS A 22 15.207 11.946 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 22 14.640 14.785 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.275 12.189 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.431 13.720 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.143 13.694 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.981 12.629 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.362 14.566 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.595 15.615 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.716 15.760 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.617 14.034 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.378 15.268 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.322 14.315 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.418 15.987 -5.789 1.00 0.00 H new ATOM 306 N PRO A 23 12.772 15.242 0.833 1.00 0.00 N ATOM 307 CA PRO A 23 11.978 15.622 1.989 1.00 0.00 C ATOM 308 C PRO A 23 10.698 14.789 2.073 1.00 0.00 C ATOM 309 O PRO A 23 10.038 14.556 1.062 1.00 0.00 O ATOM 310 CB PRO A 23 11.710 17.108 1.811 1.00 0.00 C ATOM 311 CG PRO A 23 11.962 17.403 0.341 1.00 0.00 C ATOM 312 CD PRO A 23 12.700 16.215 -0.253 1.00 0.00 C ATOM 0 HA PRO A 23 12.491 15.434 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.686 17.356 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.366 17.702 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.020 17.568 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.552 18.313 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.169 15.809 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.695 16.499 -0.597 1.00 0.00 H new ATOM 320 N TRP A 24 10.386 14.363 3.288 1.00 0.00 N ATOM 321 CA TRP A 24 9.197 13.561 3.518 1.00 0.00 C ATOM 322 C TRP A 24 7.990 14.501 3.544 1.00 0.00 C ATOM 323 O TRP A 24 8.117 15.670 3.905 1.00 0.00 O ATOM 324 CB TRP A 24 9.334 12.729 4.795 1.00 0.00 C ATOM 325 CG TRP A 24 10.444 11.678 4.736 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.681 11.754 5.248 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.368 10.381 4.107 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.404 10.606 4.995 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.581 9.745 4.280 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.310 9.766 3.415 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.850 8.461 3.790 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.595 8.483 2.931 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.810 7.829 3.097 1.00 0.00 C ATOM 0 H TRP A 24 10.937 14.558 4.124 1.00 0.00 H new ATOM 0 HA TRP A 24 9.059 12.838 2.714 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.525 13.398 5.634 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.386 12.230 4.995 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.063 12.606 5.790 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.366 10.423 5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.353 10.245 3.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.808 7.984 3.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.816 7.966 2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.952 6.837 2.693 1.00 0.00 H new ATOM 344 N LYS A 25 6.846 13.955 3.157 1.00 0.00 N ATOM 345 CA LYS A 25 5.618 14.731 3.131 1.00 0.00 C ATOM 346 C LYS A 25 4.569 14.046 4.010 1.00 0.00 C ATOM 347 O LYS A 25 3.974 13.047 3.609 1.00 0.00 O ATOM 348 CB LYS A 25 5.158 14.959 1.690 1.00 0.00 C ATOM 349 CG LYS A 25 6.057 15.974 0.981 1.00 0.00 C ATOM 350 CD LYS A 25 6.369 15.526 -0.448 1.00 0.00 C ATOM 351 CE LYS A 25 6.290 16.704 -1.421 1.00 0.00 C ATOM 352 NZ LYS A 25 5.967 16.229 -2.785 1.00 0.00 N ATOM 0 H LYS A 25 6.744 12.985 2.859 1.00 0.00 H new ATOM 0 HA LYS A 25 5.786 15.724 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.171 14.014 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.128 15.315 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.568 16.948 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.986 16.095 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.365 15.085 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.665 14.751 -0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.530 17.410 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.240 17.239 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.917 17.041 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.706 15.573 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.050 15.739 -2.774 1.00 0.00 H new ATOM 366 N HIS A 26 4.375 14.610 5.193 1.00 0.00 N ATOM 367 CA HIS A 26 3.409 14.067 6.132 1.00 0.00 C ATOM 368 C HIS A 26 1.995 14.256 5.581 1.00 0.00 C ATOM 369 O HIS A 26 1.444 15.355 5.639 1.00 0.00 O ATOM 370 CB HIS A 26 3.592 14.685 7.519 1.00 0.00 C ATOM 371 CG HIS A 26 4.905 14.336 8.179 1.00 0.00 C ATOM 372 ND1 HIS A 26 5.982 13.642 7.710 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 5.216 14.710 9.475 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 6.901 13.597 8.666 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 6.428 14.258 9.761 1.00 0.00 N flip ATOM 0 H HIS A 26 4.871 15.438 5.523 1.00 0.00 H new ATOM 0 HA HIS A 26 3.575 12.996 6.251 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.516 15.769 7.435 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.775 14.357 8.162 1.00 0.00 H new ATOM 0 HD1 HIS A 26 6.066 13.228 6.782 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.579 15.274 10.140 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.865 13.116 8.590 1.00 0.00 H new ATOM 383 N LEU A 27 1.447 13.169 5.058 1.00 0.00 N ATOM 384 CA LEU A 27 0.107 13.202 4.497 1.00 0.00 C ATOM 385 C LEU A 27 -0.690 12.006 5.021 1.00 0.00 C ATOM 386 O LEU A 27 -0.129 11.105 5.643 1.00 0.00 O ATOM 387 CB LEU A 27 0.168 13.279 2.970 1.00 0.00 C ATOM 388 CG LEU A 27 0.537 14.642 2.381 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.476 14.486 1.183 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.717 15.444 2.026 1.00 0.00 C ATOM 0 H LEU A 27 1.907 12.260 5.011 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.419 14.101 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.893 12.545 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.803 12.984 2.572 1.00 0.00 H new ATOM 0 HG LEU A 27 1.076 15.207 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.723 15.470 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.390 13.984 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.985 13.893 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.426 16.408 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.305 14.894 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.314 15.602 2.924 1.00 0.00 H new ATOM 402 N TRP A 28 -1.987 12.035 4.750 1.00 0.00 N ATOM 403 CA TRP A 28 -2.867 10.965 5.186 1.00 0.00 C ATOM 404 C TRP A 28 -3.315 10.187 3.948 1.00 0.00 C ATOM 405 O TRP A 28 -3.497 10.766 2.878 1.00 0.00 O ATOM 406 CB TRP A 28 -4.038 11.516 6.002 1.00 0.00 C ATOM 407 CG TRP A 28 -4.982 10.440 6.542 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.112 9.980 5.988 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.830 9.702 7.773 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.698 9.004 6.768 1.00 0.00 N ATOM 411 CE2 TRP A 28 -5.893 8.830 7.889 1.00 0.00 C ATOM 412 CE3 TRP A 28 -3.828 9.770 8.757 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.057 7.960 8.973 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.006 8.894 9.834 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.070 8.010 9.966 1.00 0.00 C ATOM 0 H TRP A 28 -2.449 12.783 4.234 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.342 10.283 5.855 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.644 12.093 6.839 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.608 12.206 5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.514 10.329 5.048 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.562 8.503 6.561 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.988 10.445 8.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.899 7.287 9.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.264 8.906 10.618 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.136 7.365 10.830 1.00 0.00 H new ATOM 426 N PHE A 29 -3.480 8.885 4.133 1.00 0.00 N ATOM 427 CA PHE A 29 -3.904 8.022 3.044 1.00 0.00 C ATOM 428 C PHE A 29 -4.880 6.953 3.540 1.00 0.00 C ATOM 429 O PHE A 29 -4.912 6.640 4.729 1.00 0.00 O ATOM 430 CB PHE A 29 -2.648 7.336 2.503 1.00 0.00 C ATOM 431 CG PHE A 29 -1.565 8.307 2.027 1.00 0.00 C ATOM 432 CD1 PHE A 29 -0.669 8.814 2.915 1.00 0.00 C ATOM 433 CD2 PHE A 29 -1.499 8.662 0.716 1.00 0.00 C ATOM 434 CE1 PHE A 29 0.336 9.715 2.473 1.00 0.00 C ATOM 435 CE2 PHE A 29 -0.494 9.563 0.274 1.00 0.00 C ATOM 436 CZ PHE A 29 0.402 10.070 1.162 1.00 0.00 C ATOM 0 H PHE A 29 -3.328 8.407 5.021 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.409 8.610 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.232 6.697 3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.929 6.687 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.721 8.532 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.211 8.259 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.048 10.118 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.442 9.845 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.166 10.755 0.826 1.00 0.00 H new ATOM 446 N VAL A 30 -5.653 6.423 2.603 1.00 0.00 N ATOM 447 CA VAL A 30 -6.627 5.396 2.929 1.00 0.00 C ATOM 448 C VAL A 30 -6.832 4.489 1.715 1.00 0.00 C ATOM 449 O VAL A 30 -6.722 4.937 0.575 1.00 0.00 O ATOM 450 CB VAL A 30 -7.925 6.043 3.418 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.086 5.047 3.369 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.755 6.618 4.826 1.00 0.00 C ATOM 0 H VAL A 30 -5.624 6.686 1.618 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.264 4.770 3.744 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.162 6.868 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.996 5.532 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.230 4.706 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.860 4.193 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.692 7.072 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.482 5.819 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.970 7.374 4.818 1.00 0.00 H new ATOM 462 N ILE A 31 -7.127 3.229 2.000 1.00 0.00 N ATOM 463 CA ILE A 31 -7.348 2.255 0.945 1.00 0.00 C ATOM 464 C ILE A 31 -8.787 1.741 1.025 1.00 0.00 C ATOM 465 O ILE A 31 -9.063 0.760 1.714 1.00 0.00 O ATOM 466 CB ILE A 31 -6.295 1.146 1.010 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.890 1.712 0.794 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.619 0.024 0.021 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.822 0.668 1.127 1.00 0.00 C ATOM 0 H ILE A 31 -7.218 2.860 2.947 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.228 2.720 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.317 0.711 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.779 2.034 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.749 2.594 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.856 -0.751 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.592 -0.404 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.640 0.427 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.832 1.095 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.921 0.366 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.951 -0.202 0.484 1.00 0.00 H new ATOM 481 N LYS A 32 -9.667 2.426 0.310 1.00 0.00 N ATOM 482 CA LYS A 32 -11.071 2.052 0.291 1.00 0.00 C ATOM 483 C LYS A 32 -11.191 0.555 -0.001 1.00 0.00 C ATOM 484 O LYS A 32 -12.032 -0.129 0.581 1.00 0.00 O ATOM 485 CB LYS A 32 -11.848 2.933 -0.690 1.00 0.00 C ATOM 486 CG LYS A 32 -12.083 2.204 -2.014 1.00 0.00 C ATOM 487 CD LYS A 32 -12.982 3.027 -2.940 1.00 0.00 C ATOM 488 CE LYS A 32 -14.334 2.340 -3.143 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.163 3.101 -4.104 1.00 0.00 N ATOM 0 H LYS A 32 -9.435 3.239 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.524 2.225 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.805 3.215 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.296 3.855 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.128 2.014 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.542 1.234 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.134 4.020 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.491 3.163 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.181 1.325 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.855 2.259 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.077 2.621 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.324 4.062 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.672 3.156 -5.019 1.00 0.00 H new ATOM 503 N ASN A 33 -10.337 0.089 -0.901 1.00 0.00 N ATOM 504 CA ASN A 33 -10.337 -1.314 -1.276 1.00 0.00 C ATOM 505 C ASN A 33 -9.121 -1.601 -2.159 1.00 0.00 C ATOM 506 O ASN A 33 -8.343 -2.511 -1.874 1.00 0.00 O ATOM 507 CB ASN A 33 -11.594 -1.672 -2.072 1.00 0.00 C ATOM 508 CG ASN A 33 -12.349 -2.829 -1.414 1.00 0.00 C ATOM 509 OD1 ASN A 33 -12.195 -3.115 -0.238 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.171 -3.475 -2.236 1.00 0.00 N ATOM 0 H ASN A 33 -9.640 0.659 -1.381 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.308 -1.907 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.245 -0.801 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.318 -1.946 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.721 -4.263 -1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.252 -3.183 -3.210 1.00 0.00 H new ATOM 517 N LYS A 34 -8.995 -0.809 -3.214 1.00 0.00 N ATOM 518 CA LYS A 34 -7.886 -0.967 -4.140 1.00 0.00 C ATOM 519 C LYS A 34 -7.525 0.397 -4.733 1.00 0.00 C ATOM 520 O LYS A 34 -6.919 0.472 -5.801 1.00 0.00 O ATOM 521 CB LYS A 34 -8.214 -2.028 -5.192 1.00 0.00 C ATOM 522 CG LYS A 34 -7.662 -3.395 -4.783 1.00 0.00 C ATOM 523 CD LYS A 34 -8.643 -4.512 -5.146 1.00 0.00 C ATOM 524 CE LYS A 34 -7.928 -5.863 -5.226 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.789 -6.938 -4.684 1.00 0.00 N ATOM 0 H LYS A 34 -9.642 -0.056 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.002 -1.332 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.294 -2.093 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.792 -1.734 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.707 -3.569 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.471 -3.408 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.437 -4.560 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.116 -4.289 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.669 -6.083 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.994 -5.820 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.289 -7.848 -4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.015 -6.734 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.669 -6.989 -5.235 1.00 0.00 H new ATOM 539 N VAL A 35 -7.912 1.440 -4.014 1.00 0.00 N ATOM 540 CA VAL A 35 -7.636 2.797 -4.456 1.00 0.00 C ATOM 541 C VAL A 35 -6.915 3.555 -3.340 1.00 0.00 C ATOM 542 O VAL A 35 -7.452 3.714 -2.245 1.00 0.00 O ATOM 543 CB VAL A 35 -8.934 3.476 -4.899 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.672 4.914 -5.352 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.626 2.672 -6.001 1.00 0.00 C ATOM 0 H VAL A 35 -8.414 1.373 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.976 2.790 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.604 3.511 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.610 5.375 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.243 5.483 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.975 4.910 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.546 3.177 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.963 2.590 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.863 1.675 -5.630 1.00 0.00 H new ATOM 555 N LEU A 36 -5.709 4.003 -3.656 1.00 0.00 N ATOM 556 CA LEU A 36 -4.908 4.741 -2.694 1.00 0.00 C ATOM 557 C LEU A 36 -5.345 6.207 -2.692 1.00 0.00 C ATOM 558 O LEU A 36 -4.861 7.004 -3.494 1.00 0.00 O ATOM 559 CB LEU A 36 -3.417 4.544 -2.975 1.00 0.00 C ATOM 560 CG LEU A 36 -2.456 5.172 -1.964 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.551 6.699 -1.991 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.690 4.608 -0.561 1.00 0.00 C ATOM 0 H LEU A 36 -5.267 3.869 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.072 4.357 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.215 3.474 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.196 4.954 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.438 4.908 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.857 7.120 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.296 7.062 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.567 7.005 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.994 5.071 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.713 4.821 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.531 3.530 -0.571 1.00 0.00 H new ATOM 574 N TYR A 37 -6.255 6.519 -1.781 1.00 0.00 N ATOM 575 CA TYR A 37 -6.763 7.875 -1.663 1.00 0.00 C ATOM 576 C TYR A 37 -5.846 8.729 -0.784 1.00 0.00 C ATOM 577 O TYR A 37 -5.379 8.274 0.258 1.00 0.00 O ATOM 578 CB TYR A 37 -8.131 7.757 -0.988 1.00 0.00 C ATOM 579 CG TYR A 37 -9.262 7.361 -1.940 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.749 8.277 -2.851 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.795 6.089 -1.887 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.813 7.905 -3.746 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.859 5.717 -2.783 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.316 6.643 -3.668 1.00 0.00 C ATOM 585 OH TYR A 37 -12.321 6.292 -4.514 1.00 0.00 O ATOM 0 H TYR A 37 -6.654 5.855 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.820 8.350 -2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.068 7.019 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.379 8.711 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.332 9.272 -2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.414 5.373 -1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.203 8.612 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.285 4.725 -2.753 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.580 5.362 -4.346 1.00 0.00 H new ATOM 595 N THR A 38 -5.617 9.953 -1.238 1.00 0.00 N ATOM 596 CA THR A 38 -4.765 10.874 -0.506 1.00 0.00 C ATOM 597 C THR A 38 -5.599 11.724 0.454 1.00 0.00 C ATOM 598 O THR A 38 -6.806 11.872 0.269 1.00 0.00 O ATOM 599 CB THR A 38 -3.980 11.703 -1.525 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.908 10.849 -1.915 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.283 12.907 -0.889 1.00 0.00 C ATOM 0 H THR A 38 -6.007 10.328 -2.103 1.00 0.00 H new ATOM 0 HA THR A 38 -4.051 10.339 0.120 1.00 0.00 H new ATOM 0 HB THR A 38 -4.655 12.047 -2.309 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.340 10.662 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.741 13.460 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.027 13.558 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.583 12.562 -0.128 1.00 0.00 H new ATOM 609 N TYR A 39 -4.923 12.261 1.459 1.00 0.00 N ATOM 610 CA TYR A 39 -5.587 13.092 2.449 1.00 0.00 C ATOM 611 C TYR A 39 -4.591 14.028 3.136 1.00 0.00 C ATOM 612 O TYR A 39 -3.423 14.087 2.754 1.00 0.00 O ATOM 613 CB TYR A 39 -6.165 12.130 3.488 1.00 0.00 C ATOM 614 CG TYR A 39 -7.439 11.415 3.034 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.664 12.035 3.168 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.362 10.149 2.489 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.863 11.362 2.741 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.561 9.476 2.062 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.752 10.116 2.208 1.00 0.00 C ATOM 620 OH TYR A 39 -10.885 9.480 1.804 1.00 0.00 O ATOM 0 H TYR A 39 -3.922 12.137 1.609 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.353 13.710 1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.411 11.383 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.378 12.684 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.724 13.026 3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.403 9.664 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.828 11.836 2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.516 8.485 1.635 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.654 8.599 1.443 1.00 0.00 H new ATOM 630 N ALA A 40 -5.088 14.738 4.138 1.00 0.00 N ATOM 631 CA ALA A 40 -4.257 15.668 4.882 1.00 0.00 C ATOM 632 C ALA A 40 -4.408 15.395 6.380 1.00 0.00 C ATOM 633 O ALA A 40 -3.417 15.331 7.106 1.00 0.00 O ATOM 634 CB ALA A 40 -4.636 17.103 4.509 1.00 0.00 C ATOM 0 H ALA A 40 -6.057 14.688 4.452 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.206 15.532 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.012 17.801 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.482 17.254 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.684 17.278 4.753 1.00 0.00 H new ATOM 640 N ALA A 41 -5.656 15.242 6.798 1.00 0.00 N ATOM 641 CA ALA A 41 -5.950 14.977 8.196 1.00 0.00 C ATOM 642 C ALA A 41 -6.530 13.568 8.333 1.00 0.00 C ATOM 643 O ALA A 41 -6.619 12.832 7.352 1.00 0.00 O ATOM 644 CB ALA A 41 -6.898 16.053 8.731 1.00 0.00 C ATOM 0 H ALA A 41 -6.475 15.297 6.193 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.040 15.018 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.119 15.855 9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.427 17.032 8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.824 16.040 8.156 1.00 0.00 H new ATOM 650 N SER A 42 -6.909 13.236 9.558 1.00 0.00 N ATOM 651 CA SER A 42 -7.478 11.928 9.837 1.00 0.00 C ATOM 652 C SER A 42 -8.785 11.750 9.060 1.00 0.00 C ATOM 653 O SER A 42 -8.830 11.017 8.073 1.00 0.00 O ATOM 654 CB SER A 42 -7.722 11.741 11.335 1.00 0.00 C ATOM 655 OG SER A 42 -8.566 10.625 11.604 1.00 0.00 O ATOM 0 H SER A 42 -6.833 13.850 10.369 1.00 0.00 H new ATOM 0 HA SER A 42 -6.765 11.169 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.768 11.604 11.843 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.174 12.644 11.744 1.00 0.00 H new ATOM 0 HG SER A 42 -8.696 10.539 12.572 1.00 0.00 H new ATOM 661 N GLU A 43 -9.816 12.433 9.536 1.00 0.00 N ATOM 662 CA GLU A 43 -11.120 12.360 8.898 1.00 0.00 C ATOM 663 C GLU A 43 -11.367 13.608 8.050 1.00 0.00 C ATOM 664 O GLU A 43 -12.386 14.279 8.208 1.00 0.00 O ATOM 665 CB GLU A 43 -12.228 12.174 9.937 1.00 0.00 C ATOM 666 CG GLU A 43 -12.189 10.766 10.535 1.00 0.00 C ATOM 667 CD GLU A 43 -13.577 10.121 10.507 1.00 0.00 C ATOM 668 OE1 GLU A 43 -14.045 9.829 9.385 1.00 0.00 O ATOM 669 OE2 GLU A 43 -14.137 9.934 11.608 1.00 0.00 O ATOM 0 H GLU A 43 -9.775 13.039 10.355 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.133 11.491 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.115 12.913 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.199 12.349 9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.486 10.149 9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.826 10.813 11.562 1.00 0.00 H new ATOM 676 N ASP A 44 -10.418 13.883 7.167 1.00 0.00 N ATOM 677 CA ASP A 44 -10.520 15.039 6.294 1.00 0.00 C ATOM 678 C ASP A 44 -11.910 15.070 5.656 1.00 0.00 C ATOM 679 O ASP A 44 -12.517 14.024 5.430 1.00 0.00 O ATOM 680 CB ASP A 44 -9.485 14.972 5.168 1.00 0.00 C ATOM 681 CG ASP A 44 -8.967 16.328 4.685 1.00 0.00 C ATOM 682 OD1 ASP A 44 -9.609 17.340 5.040 1.00 0.00 O ATOM 683 OD2 ASP A 44 -7.940 16.322 3.972 1.00 0.00 O ATOM 0 H ASP A 44 -9.574 13.324 7.038 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.343 15.931 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.638 14.377 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.925 14.445 4.321 1.00 0.00 H new ATOM 688 N VAL A 45 -12.375 16.281 5.384 1.00 0.00 N ATOM 689 CA VAL A 45 -13.682 16.461 4.777 1.00 0.00 C ATOM 690 C VAL A 45 -13.749 15.665 3.472 1.00 0.00 C ATOM 691 O VAL A 45 -14.816 15.193 3.082 1.00 0.00 O ATOM 692 CB VAL A 45 -13.967 17.952 4.582 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.524 18.576 5.863 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.714 18.693 4.111 1.00 0.00 C ATOM 0 H VAL A 45 -11.870 17.147 5.573 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.463 16.076 5.433 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.725 18.049 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.718 19.636 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.453 18.076 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.799 18.462 6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.944 19.750 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.925 18.583 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.379 18.275 3.162 1.00 0.00 H new ATOM 704 N ALA A 46 -12.595 15.539 2.834 1.00 0.00 N ATOM 705 CA ALA A 46 -12.509 14.807 1.581 1.00 0.00 C ATOM 706 C ALA A 46 -11.040 14.511 1.268 1.00 0.00 C ATOM 707 O ALA A 46 -10.143 15.108 1.861 1.00 0.00 O ATOM 708 CB ALA A 46 -13.191 15.611 0.472 1.00 0.00 C ATOM 0 H ALA A 46 -11.712 15.931 3.161 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.029 13.852 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.127 15.062 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.238 15.769 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.694 16.575 0.364 1.00 0.00 H new ATOM 714 N ALA A 47 -10.841 13.590 0.338 1.00 0.00 N ATOM 715 CA ALA A 47 -9.497 13.207 -0.061 1.00 0.00 C ATOM 716 C ALA A 47 -8.912 14.290 -0.971 1.00 0.00 C ATOM 717 O ALA A 47 -9.633 14.897 -1.761 1.00 0.00 O ATOM 718 CB ALA A 47 -9.536 11.836 -0.738 1.00 0.00 C ATOM 0 H ALA A 47 -11.588 13.097 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.848 13.122 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.528 11.549 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.932 11.097 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.176 11.883 -1.619 1.00 0.00 H new ATOM 724 N LEU A 48 -7.612 14.499 -0.828 1.00 0.00 N ATOM 725 CA LEU A 48 -6.922 15.497 -1.627 1.00 0.00 C ATOM 726 C LEU A 48 -6.807 15.000 -3.069 1.00 0.00 C ATOM 727 O LEU A 48 -7.065 15.749 -4.010 1.00 0.00 O ATOM 728 CB LEU A 48 -5.577 15.857 -0.991 1.00 0.00 C ATOM 729 CG LEU A 48 -5.615 16.226 0.493 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.207 16.231 1.093 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.334 17.559 0.709 1.00 0.00 C ATOM 0 H LEU A 48 -7.018 13.994 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.494 16.425 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.900 15.012 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.149 16.694 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.187 15.462 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.262 16.496 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.764 15.240 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.590 16.960 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.347 17.797 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.811 18.347 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.358 17.484 0.342 1.00 0.00 H new ATOM 743 N GLU A 49 -6.419 13.740 -3.197 1.00 0.00 N ATOM 744 CA GLU A 49 -6.267 13.133 -4.509 1.00 0.00 C ATOM 745 C GLU A 49 -6.707 11.669 -4.472 1.00 0.00 C ATOM 746 O GLU A 49 -6.923 11.109 -3.398 1.00 0.00 O ATOM 747 CB GLU A 49 -4.826 13.260 -5.007 1.00 0.00 C ATOM 748 CG GLU A 49 -4.489 14.713 -5.348 1.00 0.00 C ATOM 749 CD GLU A 49 -4.946 15.063 -6.766 1.00 0.00 C ATOM 750 OE1 GLU A 49 -4.179 14.754 -7.703 1.00 0.00 O ATOM 751 OE2 GLU A 49 -6.053 15.633 -6.880 1.00 0.00 O ATOM 0 H GLU A 49 -6.205 13.122 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.908 13.666 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.140 12.894 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.686 12.634 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.970 15.379 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.414 14.872 -5.259 1.00 0.00 H new ATOM 758 N SER A 50 -6.828 11.090 -5.657 1.00 0.00 N ATOM 759 CA SER A 50 -7.239 9.701 -5.773 1.00 0.00 C ATOM 760 C SER A 50 -6.454 9.015 -6.893 1.00 0.00 C ATOM 761 O SER A 50 -6.476 9.465 -8.037 1.00 0.00 O ATOM 762 CB SER A 50 -8.743 9.592 -6.035 1.00 0.00 C ATOM 763 OG SER A 50 -9.266 10.770 -6.642 1.00 0.00 O ATOM 0 H SER A 50 -6.649 11.557 -6.546 1.00 0.00 H new ATOM 0 HA SER A 50 -7.025 9.201 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.937 8.735 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.262 9.408 -5.095 1.00 0.00 H new ATOM 0 HG SER A 50 -10.228 10.660 -6.794 1.00 0.00 H new ATOM 769 N GLN A 51 -5.779 7.936 -6.524 1.00 0.00 N ATOM 770 CA GLN A 51 -4.989 7.183 -7.483 1.00 0.00 C ATOM 771 C GLN A 51 -5.049 5.688 -7.163 1.00 0.00 C ATOM 772 O GLN A 51 -4.608 5.259 -6.098 1.00 0.00 O ATOM 773 CB GLN A 51 -3.542 7.680 -7.511 1.00 0.00 C ATOM 774 CG GLN A 51 -2.810 7.165 -8.752 1.00 0.00 C ATOM 775 CD GLN A 51 -3.431 7.731 -10.030 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.557 6.841 -11.010 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -3.773 8.899 -10.120 1.00 0.00 N flip ATOM 0 H GLN A 51 -5.763 7.565 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.412 7.339 -8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.528 8.770 -7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.022 7.347 -6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.758 7.445 -8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.849 6.076 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.648 9.530 -9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.184 9.245 -10.987 1.00 0.00 H new ATOM 786 N PRO A 52 -5.614 4.916 -8.130 1.00 0.00 N ATOM 787 CA PRO A 52 -5.738 3.478 -7.962 1.00 0.00 C ATOM 788 C PRO A 52 -4.386 2.786 -8.150 1.00 0.00 C ATOM 789 O PRO A 52 -3.493 3.325 -8.802 1.00 0.00 O ATOM 790 CB PRO A 52 -6.772 3.050 -8.990 1.00 0.00 C ATOM 791 CG PRO A 52 -6.847 4.181 -10.003 1.00 0.00 C ATOM 792 CD PRO A 52 -6.147 5.390 -9.404 1.00 0.00 C ATOM 0 HA PRO A 52 -6.055 3.197 -6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.482 2.115 -9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.741 2.881 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.370 3.888 -10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.885 4.417 -10.235 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.352 5.751 -10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.841 6.218 -9.259 1.00 0.00 H new ATOM 800 N LEU A 53 -4.278 1.601 -7.567 1.00 0.00 N ATOM 801 CA LEU A 53 -3.051 0.829 -7.662 1.00 0.00 C ATOM 802 C LEU A 53 -3.214 -0.250 -8.734 1.00 0.00 C ATOM 803 O LEU A 53 -2.612 -1.319 -8.640 1.00 0.00 O ATOM 804 CB LEU A 53 -2.657 0.279 -6.290 1.00 0.00 C ATOM 805 CG LEU A 53 -2.894 1.211 -5.100 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.435 0.437 -3.897 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.625 1.993 -4.755 1.00 0.00 C ATOM 0 H LEU A 53 -5.021 1.157 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.223 1.466 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.210 -0.644 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.599 0.017 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.654 1.939 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.595 1.123 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.380 -0.036 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.716 -0.328 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.821 2.648 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.827 1.296 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.322 2.593 -5.613 1.00 0.00 H new ATOM 819 N LEU A 54 -4.030 0.066 -9.728 1.00 0.00 N ATOM 820 CA LEU A 54 -4.280 -0.863 -10.817 1.00 0.00 C ATOM 821 C LEU A 54 -3.010 -1.011 -11.657 1.00 0.00 C ATOM 822 O LEU A 54 -2.663 -0.115 -12.426 1.00 0.00 O ATOM 823 CB LEU A 54 -5.504 -0.427 -11.624 1.00 0.00 C ATOM 824 CG LEU A 54 -6.236 -1.534 -12.385 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.309 -2.205 -13.401 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.856 -2.546 -11.420 1.00 0.00 C ATOM 0 H LEU A 54 -4.527 0.953 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.521 -1.852 -10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.212 0.048 -10.945 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.190 0.332 -12.340 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.054 -1.080 -12.945 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.853 -2.988 -13.929 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.956 -1.463 -14.117 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.456 -2.643 -12.882 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.370 -3.322 -11.987 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.071 -2.999 -10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.569 -2.039 -10.770 1.00 0.00 H new ATOM 838 N GLY A 55 -2.352 -2.147 -11.482 1.00 0.00 N ATOM 839 CA GLY A 55 -1.128 -2.424 -12.215 1.00 0.00 C ATOM 840 C GLY A 55 0.103 -2.054 -11.385 1.00 0.00 C ATOM 841 O GLY A 55 1.178 -2.621 -11.576 1.00 0.00 O ATOM 0 H GLY A 55 -2.643 -2.887 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.089 -3.481 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.124 -1.862 -13.149 1.00 0.00 H new ATOM 845 N PHE A 56 -0.095 -1.106 -10.481 1.00 0.00 N ATOM 846 CA PHE A 56 0.986 -0.654 -9.622 1.00 0.00 C ATOM 847 C PHE A 56 1.560 -1.815 -8.807 1.00 0.00 C ATOM 848 O PHE A 56 1.111 -2.952 -8.939 1.00 0.00 O ATOM 849 CB PHE A 56 0.392 0.381 -8.664 1.00 0.00 C ATOM 850 CG PHE A 56 0.235 1.775 -9.274 1.00 0.00 C ATOM 851 CD1 PHE A 56 -0.839 2.055 -10.062 1.00 0.00 C ATOM 852 CD2 PHE A 56 1.167 2.734 -9.030 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.985 3.349 -10.628 1.00 0.00 C ATOM 854 CE2 PHE A 56 1.021 4.028 -9.596 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.052 4.308 -10.384 1.00 0.00 C ATOM 0 H PHE A 56 -0.988 -0.638 -10.325 1.00 0.00 H new ATOM 0 HA PHE A 56 1.791 -0.235 -10.226 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.584 0.031 -8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.028 0.451 -7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.580 1.293 -10.257 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.019 2.511 -8.405 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.837 3.572 -11.253 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.761 4.790 -9.401 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.163 5.292 -10.816 1.00 0.00 H new ATOM 865 N THR A 57 2.545 -1.487 -7.983 1.00 0.00 N ATOM 866 CA THR A 57 3.185 -2.488 -7.147 1.00 0.00 C ATOM 867 C THR A 57 3.809 -1.833 -5.913 1.00 0.00 C ATOM 868 O THR A 57 3.881 -0.608 -5.826 1.00 0.00 O ATOM 869 CB THR A 57 4.196 -3.247 -8.009 1.00 0.00 C ATOM 870 OG1 THR A 57 3.502 -3.484 -9.231 1.00 0.00 O ATOM 871 CG2 THR A 57 4.490 -4.648 -7.469 1.00 0.00 C ATOM 0 H THR A 57 2.915 -0.542 -7.877 1.00 0.00 H new ATOM 0 HA THR A 57 2.460 -3.205 -6.763 1.00 0.00 H new ATOM 0 HB THR A 57 5.124 -2.678 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.621 -3.866 -9.038 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.213 -5.143 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.899 -4.571 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.568 -5.229 -7.443 1.00 0.00 H new ATOM 879 N VAL A 58 4.244 -2.678 -4.990 1.00 0.00 N ATOM 880 CA VAL A 58 4.859 -2.197 -3.765 1.00 0.00 C ATOM 881 C VAL A 58 6.010 -3.127 -3.378 1.00 0.00 C ATOM 882 O VAL A 58 6.021 -4.298 -3.755 1.00 0.00 O ATOM 883 CB VAL A 58 3.803 -2.063 -2.666 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.325 -2.609 -1.335 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.342 -0.612 -2.521 1.00 0.00 C ATOM 0 H VAL A 58 4.183 -3.693 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 58 5.280 -1.203 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 58 2.939 -2.660 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.555 -2.502 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.579 -3.663 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.213 -2.052 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.592 -0.546 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.195 0.017 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.911 -0.271 -3.462 1.00 0.00 H new ATOM 895 N THR A 59 6.952 -2.571 -2.630 1.00 0.00 N ATOM 896 CA THR A 59 8.106 -3.336 -2.188 1.00 0.00 C ATOM 897 C THR A 59 8.830 -2.603 -1.057 1.00 0.00 C ATOM 898 O THR A 59 8.734 -1.382 -0.942 1.00 0.00 O ATOM 899 CB THR A 59 8.992 -3.601 -3.406 1.00 0.00 C ATOM 900 OG1 THR A 59 9.702 -4.789 -3.066 1.00 0.00 O ATOM 901 CG2 THR A 59 10.089 -2.547 -3.572 1.00 0.00 C ATOM 0 H THR A 59 6.940 -1.600 -2.319 1.00 0.00 H new ATOM 0 HA THR A 59 7.807 -4.298 -1.771 1.00 0.00 H new ATOM 0 HB THR A 59 8.376 -3.629 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.300 -5.035 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.689 -2.782 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.634 -1.564 -3.696 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.726 -2.543 -2.688 1.00 0.00 H new ATOM 909 N LEU A 60 9.538 -3.380 -0.250 1.00 0.00 N ATOM 910 CA LEU A 60 10.278 -2.820 0.868 1.00 0.00 C ATOM 911 C LEU A 60 11.618 -2.278 0.367 1.00 0.00 C ATOM 912 O LEU A 60 12.210 -2.833 -0.558 1.00 0.00 O ATOM 913 CB LEU A 60 10.413 -3.850 1.991 1.00 0.00 C ATOM 914 CG LEU A 60 10.537 -3.285 3.408 1.00 0.00 C ATOM 915 CD1 LEU A 60 11.850 -2.520 3.581 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.322 -2.426 3.763 1.00 0.00 C ATOM 0 H LEU A 60 9.615 -4.392 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 60 9.735 -1.980 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.546 -4.509 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.289 -4.466 1.789 1.00 0.00 H new ATOM 0 HG LEU A 60 10.557 -4.120 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.912 -2.129 4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.689 -3.191 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.886 -1.693 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.435 -2.037 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.246 -1.596 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.418 -3.033 3.707 1.00 0.00 H new ATOM 928 N VAL A 61 12.058 -1.200 0.999 1.00 0.00 N ATOM 929 CA VAL A 61 13.317 -0.576 0.629 1.00 0.00 C ATOM 930 C VAL A 61 14.223 -0.496 1.859 1.00 0.00 C ATOM 931 O VAL A 61 13.740 -0.350 2.981 1.00 0.00 O ATOM 932 CB VAL A 61 13.057 0.788 -0.012 1.00 0.00 C ATOM 933 CG1 VAL A 61 12.123 1.633 0.856 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.370 1.526 -0.284 1.00 0.00 C ATOM 0 H VAL A 61 11.565 -0.742 1.766 1.00 0.00 H new ATOM 0 HA VAL A 61 13.836 -1.177 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 61 12.563 0.619 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.955 2.598 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.171 1.116 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.577 1.788 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.156 2.493 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.904 1.677 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.987 0.934 -0.961 1.00 0.00 H new ATOM 944 N LYS A 62 15.520 -0.594 1.607 1.00 0.00 N ATOM 945 CA LYS A 62 16.498 -0.534 2.681 1.00 0.00 C ATOM 946 C LYS A 62 16.325 0.778 3.449 1.00 0.00 C ATOM 947 O LYS A 62 15.585 0.834 4.430 1.00 0.00 O ATOM 948 CB LYS A 62 17.910 -0.743 2.131 1.00 0.00 C ATOM 949 CG LYS A 62 18.314 -2.217 2.204 1.00 0.00 C ATOM 950 CD LYS A 62 17.580 -3.040 1.144 1.00 0.00 C ATOM 951 CE LYS A 62 18.390 -3.110 -0.153 1.00 0.00 C ATOM 952 NZ LYS A 62 17.646 -2.474 -1.263 1.00 0.00 N ATOM 0 H LYS A 62 15.917 -0.715 0.675 1.00 0.00 H new ATOM 0 HA LYS A 62 16.334 -1.344 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.956 -0.400 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.618 -0.139 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.391 -2.310 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.089 -2.611 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.401 -4.047 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.605 -2.596 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.349 -2.611 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.604 -4.150 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.209 -2.530 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.741 -2.968 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.464 -1.476 -1.032 1.00 0.00 H new ATOM 966 N ASP A 63 17.021 1.801 2.975 1.00 0.00 N ATOM 967 CA ASP A 63 16.953 3.108 3.605 1.00 0.00 C ATOM 968 C ASP A 63 17.916 3.147 4.793 1.00 0.00 C ATOM 969 O ASP A 63 18.057 4.178 5.449 1.00 0.00 O ATOM 970 CB ASP A 63 15.545 3.396 4.128 1.00 0.00 C ATOM 971 CG ASP A 63 15.190 4.879 4.248 1.00 0.00 C ATOM 972 OD1 ASP A 63 15.702 5.654 3.413 1.00 0.00 O ATOM 973 OD2 ASP A 63 14.413 5.204 5.173 1.00 0.00 O ATOM 0 H ASP A 63 17.635 1.751 2.162 1.00 0.00 H new ATOM 0 HA ASP A 63 17.219 3.856 2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.823 2.918 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.436 2.931 5.108 1.00 0.00 H new ATOM 978 N GLU A 64 18.554 2.011 5.034 1.00 0.00 N ATOM 979 CA GLU A 64 19.500 1.902 6.132 1.00 0.00 C ATOM 980 C GLU A 64 18.767 1.973 7.473 1.00 0.00 C ATOM 981 O GLU A 64 18.098 2.962 7.767 1.00 0.00 O ATOM 982 CB GLU A 64 20.577 2.985 6.037 1.00 0.00 C ATOM 983 CG GLU A 64 21.837 2.573 6.801 1.00 0.00 C ATOM 984 CD GLU A 64 23.083 3.219 6.192 1.00 0.00 C ATOM 985 OE1 GLU A 64 23.138 3.280 4.945 1.00 0.00 O ATOM 986 OE2 GLU A 64 23.952 3.637 6.987 1.00 0.00 O ATOM 0 H GLU A 64 18.434 1.158 4.488 1.00 0.00 H new ATOM 0 HA GLU A 64 19.997 0.935 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.824 3.166 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.193 3.922 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.745 2.867 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.939 1.488 6.782 1.00 0.00 H new ATOM 993 N ASN A 65 18.918 0.911 8.251 1.00 0.00 N ATOM 994 CA ASN A 65 18.279 0.840 9.553 1.00 0.00 C ATOM 995 C ASN A 65 16.868 0.270 9.394 1.00 0.00 C ATOM 996 O ASN A 65 16.454 -0.595 10.165 1.00 0.00 O ATOM 997 CB ASN A 65 18.159 2.229 10.184 1.00 0.00 C ATOM 998 CG ASN A 65 18.075 2.134 11.709 1.00 0.00 C ATOM 999 OD1 ASN A 65 17.023 1.915 12.286 1.00 0.00 O ATOM 1000 ND2 ASN A 65 19.240 2.310 12.326 1.00 0.00 N ATOM 0 H ASN A 65 19.474 0.092 8.004 1.00 0.00 H new ATOM 0 HA ASN A 65 18.890 0.204 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 65 19.019 2.836 9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.272 2.732 9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.290 2.265 13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 65 20.083 2.490 11.781 1.00 0.00 H new ATOM 1007 N SER A 66 16.169 0.777 8.390 1.00 0.00 N ATOM 1008 CA SER A 66 14.813 0.329 8.120 1.00 0.00 C ATOM 1009 C SER A 66 14.843 -1.005 7.372 1.00 0.00 C ATOM 1010 O SER A 66 15.165 -1.048 6.185 1.00 0.00 O ATOM 1011 CB SER A 66 14.038 1.373 7.314 1.00 0.00 C ATOM 1012 OG SER A 66 14.565 2.685 7.493 1.00 0.00 O ATOM 0 H SER A 66 16.516 1.494 7.753 1.00 0.00 H new ATOM 0 HA SER A 66 14.301 0.193 9.073 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.069 1.111 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.990 1.359 7.615 1.00 0.00 H new ATOM 0 HG SER A 66 14.044 3.322 6.961 1.00 0.00 H new ATOM 1018 N GLU A 67 14.501 -2.061 8.096 1.00 0.00 N ATOM 1019 CA GLU A 67 14.484 -3.393 7.515 1.00 0.00 C ATOM 1020 C GLU A 67 13.136 -3.662 6.845 1.00 0.00 C ATOM 1021 O GLU A 67 13.058 -4.424 5.882 1.00 0.00 O ATOM 1022 CB GLU A 67 14.794 -4.455 8.571 1.00 0.00 C ATOM 1023 CG GLU A 67 16.290 -4.493 8.889 1.00 0.00 C ATOM 1024 CD GLU A 67 16.911 -5.821 8.452 1.00 0.00 C ATOM 1025 OE1 GLU A 67 16.869 -6.764 9.271 1.00 0.00 O ATOM 1026 OE2 GLU A 67 17.413 -5.863 7.308 1.00 0.00 O ATOM 0 H GLU A 67 14.234 -2.021 9.080 1.00 0.00 H new ATOM 0 HA GLU A 67 15.263 -3.447 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.231 -4.244 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.470 -5.433 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.794 -3.669 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.441 -4.352 9.959 1.00 0.00 H new ATOM 1033 N SER A 68 12.107 -3.022 7.380 1.00 0.00 N ATOM 1034 CA SER A 68 10.765 -3.183 6.846 1.00 0.00 C ATOM 1035 C SER A 68 9.831 -2.133 7.450 1.00 0.00 C ATOM 1036 O SER A 68 8.718 -2.452 7.865 1.00 0.00 O ATOM 1037 CB SER A 68 10.229 -4.590 7.118 1.00 0.00 C ATOM 1038 OG SER A 68 11.268 -5.496 7.480 1.00 0.00 O ATOM 0 H SER A 68 12.175 -2.391 8.178 1.00 0.00 H new ATOM 0 HA SER A 68 10.808 -3.042 5.766 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.490 -4.548 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.717 -4.961 6.230 1.00 0.00 H new ATOM 0 HG SER A 68 10.885 -6.383 7.647 1.00 0.00 H new ATOM 1044 N LYS A 69 10.319 -0.902 7.480 1.00 0.00 N ATOM 1045 CA LYS A 69 9.541 0.198 8.027 1.00 0.00 C ATOM 1046 C LYS A 69 9.144 1.148 6.896 1.00 0.00 C ATOM 1047 O LYS A 69 8.052 1.715 6.912 1.00 0.00 O ATOM 1048 CB LYS A 69 10.305 0.880 9.164 1.00 0.00 C ATOM 1049 CG LYS A 69 9.664 2.222 9.527 1.00 0.00 C ATOM 1050 CD LYS A 69 10.457 2.927 10.629 1.00 0.00 C ATOM 1051 CE LYS A 69 11.263 4.097 10.061 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.710 3.889 10.291 1.00 0.00 N ATOM 0 H LYS A 69 11.243 -0.641 7.135 1.00 0.00 H new ATOM 0 HA LYS A 69 8.617 -0.172 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.318 0.230 10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.342 1.036 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.618 2.858 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.638 2.061 9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.775 3.290 11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.130 2.216 11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.069 4.196 8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.944 5.028 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.243 4.692 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.892 3.817 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.013 3.011 9.823 1.00 0.00 H new ATOM 1066 N VAL A 70 10.051 1.292 5.941 1.00 0.00 N ATOM 1067 CA VAL A 70 9.808 2.163 4.804 1.00 0.00 C ATOM 1068 C VAL A 70 9.696 1.318 3.533 1.00 0.00 C ATOM 1069 O VAL A 70 10.441 0.355 3.357 1.00 0.00 O ATOM 1070 CB VAL A 70 10.903 3.229 4.719 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.287 2.586 4.615 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.651 4.181 3.548 1.00 0.00 C ATOM 0 H VAL A 70 10.955 0.820 5.931 1.00 0.00 H new ATOM 0 HA VAL A 70 8.864 2.694 4.925 1.00 0.00 H new ATOM 0 HB VAL A 70 10.874 3.814 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.047 3.365 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.468 1.968 5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.334 1.965 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.443 4.929 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.640 3.616 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.690 4.677 3.683 1.00 0.00 H new ATOM 1082 N PHE A 71 8.760 1.709 2.682 1.00 0.00 N ATOM 1083 CA PHE A 71 8.541 0.999 1.433 1.00 0.00 C ATOM 1084 C PHE A 71 8.413 1.976 0.262 1.00 0.00 C ATOM 1085 O PHE A 71 8.467 3.190 0.453 1.00 0.00 O ATOM 1086 CB PHE A 71 7.229 0.226 1.582 1.00 0.00 C ATOM 1087 CG PHE A 71 6.141 0.987 2.342 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.274 1.211 3.676 1.00 0.00 C ATOM 1089 CD2 PHE A 71 5.041 1.439 1.682 1.00 0.00 C ATOM 1090 CE1 PHE A 71 5.264 1.917 4.382 1.00 0.00 C ATOM 1091 CE2 PHE A 71 4.031 2.146 2.387 1.00 0.00 C ATOM 1092 CZ PHE A 71 4.164 2.370 3.722 1.00 0.00 C ATOM 0 H PHE A 71 8.144 2.508 2.832 1.00 0.00 H new ATOM 0 HA PHE A 71 9.383 0.337 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.855 -0.029 0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.429 -0.713 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.148 0.852 4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.936 1.260 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.369 2.094 5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.158 2.506 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.396 2.908 4.258 1.00 0.00 H new ATOM 1102 N GLN A 72 8.245 1.410 -0.924 1.00 0.00 N ATOM 1103 CA GLN A 72 8.109 2.215 -2.125 1.00 0.00 C ATOM 1104 C GLN A 72 6.906 1.746 -2.946 1.00 0.00 C ATOM 1105 O GLN A 72 6.524 0.578 -2.882 1.00 0.00 O ATOM 1106 CB GLN A 72 9.391 2.176 -2.960 1.00 0.00 C ATOM 1107 CG GLN A 72 10.473 3.065 -2.344 1.00 0.00 C ATOM 1108 CD GLN A 72 11.740 3.059 -3.202 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.283 4.092 -3.559 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.179 1.843 -3.511 1.00 0.00 N ATOM 0 H GLN A 72 8.200 0.403 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 72 7.940 3.250 -1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.754 1.150 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.178 2.508 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.100 4.084 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.708 2.715 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.676 1.020 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.018 1.733 -4.080 1.00 0.00 H new ATOM 1119 N LEU A 73 6.342 2.680 -3.698 1.00 0.00 N ATOM 1120 CA LEU A 73 5.190 2.376 -4.530 1.00 0.00 C ATOM 1121 C LEU A 73 5.636 2.262 -5.989 1.00 0.00 C ATOM 1122 O LEU A 73 5.765 3.270 -6.683 1.00 0.00 O ATOM 1123 CB LEU A 73 4.080 3.405 -4.304 1.00 0.00 C ATOM 1124 CG LEU A 73 2.854 3.278 -5.211 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.153 1.934 -5.001 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.902 4.459 -5.013 1.00 0.00 C ATOM 0 H LEU A 73 6.661 3.647 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 73 4.762 1.413 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.750 3.333 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.503 4.401 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 73 3.191 3.306 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.285 1.870 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.844 1.123 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.830 1.850 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.039 4.345 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.568 4.487 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.420 5.388 -5.253 1.00 0.00 H new ATOM 1138 N LEU A 74 5.860 1.027 -6.412 1.00 0.00 N ATOM 1139 CA LEU A 74 6.289 0.768 -7.776 1.00 0.00 C ATOM 1140 C LEU A 74 5.082 0.860 -8.711 1.00 0.00 C ATOM 1141 O LEU A 74 3.962 0.536 -8.319 1.00 0.00 O ATOM 1142 CB LEU A 74 7.032 -0.566 -7.860 1.00 0.00 C ATOM 1143 CG LEU A 74 8.461 -0.573 -7.313 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.628 -1.640 -6.230 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.480 -0.739 -8.443 1.00 0.00 C ATOM 0 H LEU A 74 5.752 0.194 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 74 7.003 1.525 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.454 -1.316 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.062 -0.877 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 74 8.653 0.393 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.652 -1.624 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.941 -1.436 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.410 -2.622 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.488 -0.741 -8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.299 -1.681 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.380 0.087 -9.148 1.00 0.00 H new ATOM 1157 N HIS A 75 5.350 1.303 -9.931 1.00 0.00 N ATOM 1158 CA HIS A 75 4.300 1.441 -10.925 1.00 0.00 C ATOM 1159 C HIS A 75 4.800 0.922 -12.275 1.00 0.00 C ATOM 1160 O HIS A 75 5.444 1.654 -13.025 1.00 0.00 O ATOM 1161 CB HIS A 75 3.803 2.886 -10.993 1.00 0.00 C ATOM 1162 CG HIS A 75 2.667 3.100 -11.965 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.505 2.409 -12.144 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 2.658 4.127 -12.893 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 0.823 2.983 -13.127 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 1.536 4.048 -13.593 1.00 0.00 N flip ATOM 0 H HIS A 75 6.280 1.571 -10.253 1.00 0.00 H new ATOM 0 HA HIS A 75 3.440 0.835 -10.638 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.480 3.195 -9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.634 3.533 -11.274 1.00 0.00 H new ATOM 0 HD1 HIS A 75 1.210 1.590 -11.612 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.434 4.867 -13.024 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.139 2.660 -13.497 1.00 0.00 H new ATOM 1174 N LYS A 76 4.485 -0.337 -12.542 1.00 0.00 N ATOM 1175 CA LYS A 76 4.894 -0.962 -13.788 1.00 0.00 C ATOM 1176 C LYS A 76 6.347 -1.424 -13.669 1.00 0.00 C ATOM 1177 O LYS A 76 6.921 -1.933 -14.630 1.00 0.00 O ATOM 1178 CB LYS A 76 4.642 -0.021 -14.968 1.00 0.00 C ATOM 1179 CG LYS A 76 3.290 0.682 -14.830 1.00 0.00 C ATOM 1180 CD LYS A 76 2.803 1.204 -16.183 1.00 0.00 C ATOM 1181 CE LYS A 76 3.340 2.611 -16.454 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.235 2.605 -17.632 1.00 0.00 N ATOM 0 H LYS A 76 3.951 -0.941 -11.917 1.00 0.00 H new ATOM 0 HA LYS A 76 4.292 -1.849 -13.984 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.438 0.722 -15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.669 -0.585 -15.900 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.556 -0.011 -14.418 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.377 1.510 -14.127 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.127 0.529 -16.975 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.713 1.217 -16.201 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.510 3.297 -16.624 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.881 2.975 -15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.591 3.567 -17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.036 1.966 -17.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.708 2.278 -18.467 1.00 0.00 H new ATOM 1196 N GLY A 77 6.901 -1.228 -12.481 1.00 0.00 N ATOM 1197 CA GLY A 77 8.277 -1.618 -12.224 1.00 0.00 C ATOM 1198 C GLY A 77 9.097 -0.432 -11.712 1.00 0.00 C ATOM 1199 O GLY A 77 10.090 -0.616 -11.009 1.00 0.00 O ATOM 0 H GLY A 77 6.422 -0.804 -11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.299 -2.424 -11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.725 -2.007 -13.138 1.00 0.00 H new ATOM 1203 N MET A 78 8.650 0.759 -12.082 1.00 0.00 N ATOM 1204 CA MET A 78 9.329 1.975 -11.669 1.00 0.00 C ATOM 1205 C MET A 78 8.731 2.523 -10.371 1.00 0.00 C ATOM 1206 O MET A 78 7.514 2.524 -10.197 1.00 0.00 O ATOM 1207 CB MET A 78 9.208 3.028 -12.772 1.00 0.00 C ATOM 1208 CG MET A 78 10.427 2.998 -13.695 1.00 0.00 C ATOM 1209 SD MET A 78 10.546 4.532 -14.600 1.00 0.00 S ATOM 1210 CE MET A 78 11.262 3.939 -16.124 1.00 0.00 C ATOM 0 H MET A 78 7.825 0.908 -12.664 1.00 0.00 H new ATOM 0 HA MET A 78 10.379 1.741 -11.493 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.303 2.849 -13.353 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.110 4.018 -12.326 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.333 2.841 -13.110 1.00 0.00 H new ATOM 0 HG3 MET A 78 10.347 2.162 -14.390 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.405 4.775 -16.809 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.225 3.472 -15.916 1.00 0.00 H new ATOM 0 HE3 MET A 78 10.594 3.207 -16.579 1.00 0.00 H new ATOM 1220 N VAL A 79 9.615 2.975 -9.494 1.00 0.00 N ATOM 1221 CA VAL A 79 9.190 3.525 -8.218 1.00 0.00 C ATOM 1222 C VAL A 79 8.407 4.817 -8.460 1.00 0.00 C ATOM 1223 O VAL A 79 8.792 5.633 -9.295 1.00 0.00 O ATOM 1224 CB VAL A 79 10.401 3.721 -7.304 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.038 4.579 -6.090 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.984 2.375 -6.869 1.00 0.00 C ATOM 0 H VAL A 79 10.624 2.972 -9.642 1.00 0.00 H new ATOM 0 HA VAL A 79 8.522 2.832 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 79 11.167 4.250 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.916 4.703 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.692 5.556 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.247 4.089 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.844 2.543 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.226 1.808 -6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.298 1.813 -7.749 1.00 0.00 H new ATOM 1236 N PHE A 80 7.323 4.962 -7.713 1.00 0.00 N ATOM 1237 CA PHE A 80 6.482 6.141 -7.835 1.00 0.00 C ATOM 1238 C PHE A 80 6.702 7.095 -6.660 1.00 0.00 C ATOM 1239 O PHE A 80 6.762 8.310 -6.844 1.00 0.00 O ATOM 1240 CB PHE A 80 5.030 5.659 -7.821 1.00 0.00 C ATOM 1241 CG PHE A 80 4.008 6.754 -8.131 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.188 7.567 -9.206 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.918 6.913 -7.332 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.239 8.584 -9.494 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.969 7.929 -7.621 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.150 8.743 -8.695 1.00 0.00 C ATOM 0 H PHE A 80 7.007 4.283 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 80 6.723 6.677 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.918 4.855 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.808 5.236 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.052 7.440 -9.841 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.775 6.267 -6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.382 9.231 -10.347 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.103 8.055 -6.988 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.429 9.516 -8.914 1.00 0.00 H new ATOM 1256 N TYR A 81 6.816 6.510 -5.477 1.00 0.00 N ATOM 1257 CA TYR A 81 7.027 7.293 -4.271 1.00 0.00 C ATOM 1258 C TYR A 81 7.599 6.426 -3.148 1.00 0.00 C ATOM 1259 O TYR A 81 7.693 5.207 -3.285 1.00 0.00 O ATOM 1260 CB TYR A 81 5.648 7.804 -3.853 1.00 0.00 C ATOM 1261 CG TYR A 81 5.210 9.079 -4.577 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.117 10.097 -4.789 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.909 9.210 -5.018 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.706 11.297 -5.471 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.498 10.410 -5.699 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.416 11.394 -5.892 1.00 0.00 C ATOM 1267 OH TYR A 81 4.027 12.527 -6.536 1.00 0.00 O ATOM 0 H TYR A 81 6.766 5.502 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 81 7.733 8.102 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.911 7.022 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.652 7.991 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.135 9.994 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.199 8.413 -4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.406 12.101 -5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.483 10.526 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 81 3.080 12.456 -6.780 1.00 0.00 H new ATOM 1277 N VAL A 82 7.967 7.088 -2.061 1.00 0.00 N ATOM 1278 CA VAL A 82 8.527 6.393 -0.914 1.00 0.00 C ATOM 1279 C VAL A 82 7.629 6.622 0.304 1.00 0.00 C ATOM 1280 O VAL A 82 7.406 7.762 0.709 1.00 0.00 O ATOM 1281 CB VAL A 82 9.971 6.842 -0.685 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.630 6.022 0.426 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.782 6.763 -1.980 1.00 0.00 C ATOM 0 H VAL A 82 7.888 8.099 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 82 8.560 5.319 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 82 9.951 7.884 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.656 6.361 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.072 6.152 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.632 4.968 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.805 7.088 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.789 5.735 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.330 7.410 -2.732 1.00 0.00 H new ATOM 1293 N PHE A 83 7.139 5.521 0.853 1.00 0.00 N ATOM 1294 CA PHE A 83 6.271 5.587 2.016 1.00 0.00 C ATOM 1295 C PHE A 83 6.976 5.037 3.258 1.00 0.00 C ATOM 1296 O PHE A 83 7.414 3.888 3.270 1.00 0.00 O ATOM 1297 CB PHE A 83 5.049 4.719 1.712 1.00 0.00 C ATOM 1298 CG PHE A 83 4.064 5.353 0.727 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.291 6.401 1.118 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.963 4.868 -0.540 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.378 6.990 0.204 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.049 5.457 -1.454 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.276 6.506 -1.063 1.00 0.00 C ATOM 0 H PHE A 83 7.327 4.577 0.514 1.00 0.00 H new ATOM 0 HA PHE A 83 5.995 6.622 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.386 3.764 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.527 4.505 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.371 6.785 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.577 4.036 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.764 7.823 0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.968 5.072 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.582 6.954 -1.758 1.00 0.00 H new ATOM 1313 N LYS A 84 7.062 5.884 4.274 1.00 0.00 N ATOM 1314 CA LYS A 84 7.706 5.497 5.517 1.00 0.00 C ATOM 1315 C LYS A 84 6.661 5.445 6.633 1.00 0.00 C ATOM 1316 O LYS A 84 5.822 6.338 6.745 1.00 0.00 O ATOM 1317 CB LYS A 84 8.884 6.425 5.822 1.00 0.00 C ATOM 1318 CG LYS A 84 9.436 6.168 7.226 1.00 0.00 C ATOM 1319 CD LYS A 84 10.040 7.443 7.819 1.00 0.00 C ATOM 1320 CE LYS A 84 11.460 7.190 8.330 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.761 8.069 9.482 1.00 0.00 N ATOM 0 H LYS A 84 6.696 6.836 4.261 1.00 0.00 H new ATOM 0 HA LYS A 84 8.131 4.497 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.672 6.273 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.565 7.464 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.638 5.804 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.195 5.387 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.056 8.228 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.414 7.801 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.566 6.146 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.178 7.370 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.728 7.884 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.680 9.064 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.087 7.877 10.250 1.00 0.00 H new ATOM 1335 N ALA A 85 6.744 4.390 7.430 1.00 0.00 N ATOM 1336 CA ALA A 85 5.816 4.210 8.533 1.00 0.00 C ATOM 1337 C ALA A 85 6.554 4.423 9.856 1.00 0.00 C ATOM 1338 O ALA A 85 7.766 4.226 9.934 1.00 0.00 O ATOM 1339 CB ALA A 85 5.176 2.823 8.440 1.00 0.00 C ATOM 0 H ALA A 85 7.440 3.651 7.334 1.00 0.00 H new ATOM 0 HA ALA A 85 5.013 4.945 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.480 2.687 9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.639 2.732 7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.953 2.060 8.491 1.00 0.00 H new ATOM 1345 N ASP A 86 5.793 4.824 10.864 1.00 0.00 N ATOM 1346 CA ASP A 86 6.360 5.067 12.179 1.00 0.00 C ATOM 1347 C ASP A 86 6.894 3.752 12.750 1.00 0.00 C ATOM 1348 O ASP A 86 7.995 3.710 13.298 1.00 0.00 O ATOM 1349 CB ASP A 86 5.302 5.606 13.144 1.00 0.00 C ATOM 1350 CG ASP A 86 4.834 7.034 12.858 1.00 0.00 C ATOM 1351 OD1 ASP A 86 5.596 7.756 12.180 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.724 7.372 13.323 1.00 0.00 O ATOM 0 H ASP A 86 4.788 4.987 10.796 1.00 0.00 H new ATOM 0 HA ASP A 86 7.158 5.802 12.072 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.437 4.944 13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.702 5.567 14.157 1.00 0.00 H new ATOM 1357 N ASP A 87 6.090 2.710 12.603 1.00 0.00 N ATOM 1358 CA ASP A 87 6.468 1.397 13.097 1.00 0.00 C ATOM 1359 C ASP A 87 6.792 0.484 11.912 1.00 0.00 C ATOM 1360 O ASP A 87 6.569 0.854 10.760 1.00 0.00 O ATOM 1361 CB ASP A 87 5.325 0.756 13.888 1.00 0.00 C ATOM 1362 CG ASP A 87 5.102 1.336 15.286 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.036 2.581 15.380 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.004 0.522 16.230 1.00 0.00 O ATOM 0 H ASP A 87 5.178 2.748 12.149 1.00 0.00 H new ATOM 0 HA ASP A 87 7.334 1.518 13.748 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.403 0.862 13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.522 -0.312 13.981 1.00 0.00 H new ATOM 1369 N ALA A 88 7.312 -0.690 12.236 1.00 0.00 N ATOM 1370 CA ALA A 88 7.669 -1.658 11.213 1.00 0.00 C ATOM 1371 C ALA A 88 6.485 -2.596 10.969 1.00 0.00 C ATOM 1372 O ALA A 88 6.060 -2.781 9.830 1.00 0.00 O ATOM 1373 CB ALA A 88 8.931 -2.411 11.640 1.00 0.00 C ATOM 0 H ALA A 88 7.495 -0.993 13.193 1.00 0.00 H new ATOM 0 HA ALA A 88 7.892 -1.156 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.199 -3.137 10.872 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.750 -1.704 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.745 -2.929 12.581 1.00 0.00 H new ATOM 1379 N HIS A 89 5.987 -3.163 12.057 1.00 0.00 N ATOM 1380 CA HIS A 89 4.860 -4.077 11.976 1.00 0.00 C ATOM 1381 C HIS A 89 3.757 -3.456 11.117 1.00 0.00 C ATOM 1382 O HIS A 89 3.116 -4.149 10.328 1.00 0.00 O ATOM 1383 CB HIS A 89 4.375 -4.467 13.374 1.00 0.00 C ATOM 1384 CG HIS A 89 5.273 -5.452 14.083 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.785 -6.473 14.879 1.00 0.00 N ATOM 1386 CD2 HIS A 89 6.633 -5.561 14.107 1.00 0.00 C ATOM 1387 CE1 HIS A 89 5.813 -7.159 15.356 1.00 0.00 C ATOM 1388 NE2 HIS A 89 6.957 -6.592 14.877 1.00 0.00 N ATOM 0 H HIS A 89 6.343 -3.007 13.000 1.00 0.00 H new ATOM 0 HA HIS A 89 5.172 -5.003 11.492 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.289 -3.566 13.982 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.375 -4.894 13.295 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.328 -4.918 13.588 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.755 -8.017 16.010 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.906 -6.908 15.078 1.00 0.00 H new ATOM 1396 N SER A 90 3.569 -2.158 11.300 1.00 0.00 N ATOM 1397 CA SER A 90 2.554 -1.436 10.552 1.00 0.00 C ATOM 1398 C SER A 90 2.861 -1.502 9.054 1.00 0.00 C ATOM 1399 O SER A 90 1.953 -1.631 8.235 1.00 0.00 O ATOM 1400 CB SER A 90 2.462 0.021 11.011 1.00 0.00 C ATOM 1401 OG SER A 90 1.793 0.144 12.263 1.00 0.00 O ATOM 0 H SER A 90 4.102 -1.587 11.956 1.00 0.00 H new ATOM 0 HA SER A 90 1.590 -1.909 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.465 0.439 11.093 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.933 0.606 10.258 1.00 0.00 H new ATOM 0 HG SER A 90 1.756 1.088 12.523 1.00 0.00 H new ATOM 1407 N THR A 91 4.146 -1.409 8.742 1.00 0.00 N ATOM 1408 CA THR A 91 4.585 -1.456 7.358 1.00 0.00 C ATOM 1409 C THR A 91 4.008 -2.688 6.657 1.00 0.00 C ATOM 1410 O THR A 91 3.319 -2.566 5.646 1.00 0.00 O ATOM 1411 CB THR A 91 6.114 -1.410 7.345 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.435 -0.306 8.186 1.00 0.00 O ATOM 1413 CG2 THR A 91 6.677 -1.014 5.979 1.00 0.00 C ATOM 0 H THR A 91 4.897 -1.301 9.424 1.00 0.00 H new ATOM 0 HA THR A 91 4.215 -0.598 6.796 1.00 0.00 H new ATOM 0 HB THR A 91 6.508 -2.385 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.873 0.392 7.656 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.766 -0.997 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.357 -1.738 5.230 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.310 -0.024 5.707 1.00 0.00 H new ATOM 1421 N GLN A 92 4.311 -3.847 7.223 1.00 0.00 N ATOM 1422 CA GLN A 92 3.831 -5.100 6.666 1.00 0.00 C ATOM 1423 C GLN A 92 2.398 -4.940 6.154 1.00 0.00 C ATOM 1424 O GLN A 92 2.104 -5.273 5.008 1.00 0.00 O ATOM 1425 CB GLN A 92 3.923 -6.229 7.694 1.00 0.00 C ATOM 1426 CG GLN A 92 5.331 -6.828 7.728 1.00 0.00 C ATOM 1427 CD GLN A 92 5.627 -7.604 6.443 1.00 0.00 C ATOM 1428 OE1 GLN A 92 6.192 -6.873 5.487 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 5.360 -8.789 6.328 1.00 0.00 N flip ATOM 0 H GLN A 92 4.883 -3.945 8.062 1.00 0.00 H new ATOM 0 HA GLN A 92 4.469 -5.368 5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.662 -5.848 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.199 -7.007 7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.066 -6.033 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.428 -7.491 8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.926 -9.291 7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.571 -9.277 5.458 1.00 0.00 H new ATOM 1438 N ARG A 93 1.545 -4.429 7.030 1.00 0.00 N ATOM 1439 CA ARG A 93 0.150 -4.221 6.682 1.00 0.00 C ATOM 1440 C ARG A 93 0.041 -3.364 5.419 1.00 0.00 C ATOM 1441 O ARG A 93 -0.468 -3.821 4.397 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.606 -3.535 7.822 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.903 -4.521 8.954 1.00 0.00 C ATOM 1444 CD ARG A 93 0.178 -4.456 10.035 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.449 -4.398 11.374 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.013 -3.299 11.893 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -1.032 -2.159 11.188 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.558 -3.339 13.116 1.00 0.00 N ATOM 0 H ARG A 93 1.793 -4.153 7.980 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.296 -5.199 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.016 -2.703 8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.539 -3.117 7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.875 -4.295 9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.962 -5.533 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.827 -5.329 9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.807 -3.579 9.880 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.452 -5.248 11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.617 -2.128 10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.461 -1.322 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.544 -4.206 13.653 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.987 -2.502 13.511 1.00 0.00 H new ATOM 1462 N TRP A 94 0.527 -2.136 5.531 1.00 0.00 N ATOM 1463 CA TRP A 94 0.490 -1.211 4.411 1.00 0.00 C ATOM 1464 C TRP A 94 0.907 -1.976 3.153 1.00 0.00 C ATOM 1465 O TRP A 94 0.212 -1.935 2.139 1.00 0.00 O ATOM 1466 CB TRP A 94 1.364 0.014 4.683 1.00 0.00 C ATOM 1467 CG TRP A 94 0.662 1.115 5.480 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.867 1.469 6.756 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.374 1.997 4.999 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.043 2.511 7.131 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.736 2.842 6.029 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -0.985 2.079 3.735 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.721 3.828 5.901 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -1.968 3.070 3.624 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.344 3.928 4.651 1.00 0.00 C ATOM 0 H TRP A 94 0.949 -1.760 6.380 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.518 -0.822 4.264 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.255 -0.302 5.226 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.700 0.426 3.732 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.587 0.998 7.409 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.012 2.956 8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.717 1.429 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.986 4.477 6.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.469 3.175 2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.113 4.668 4.486 1.00 0.00 H new ATOM 1486 N ILE A 95 2.040 -2.655 3.261 1.00 0.00 N ATOM 1487 CA ILE A 95 2.557 -3.428 2.144 1.00 0.00 C ATOM 1488 C ILE A 95 1.449 -4.327 1.594 1.00 0.00 C ATOM 1489 O ILE A 95 0.944 -4.097 0.496 1.00 0.00 O ATOM 1490 CB ILE A 95 3.818 -4.189 2.558 1.00 0.00 C ATOM 1491 CG1 ILE A 95 4.932 -3.223 2.969 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.269 -5.146 1.453 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.224 -3.978 3.283 1.00 0.00 C ATOM 0 H ILE A 95 2.614 -2.686 4.104 1.00 0.00 H new ATOM 0 HA ILE A 95 2.863 -2.767 1.333 1.00 0.00 H new ATOM 0 HB ILE A 95 3.579 -4.795 3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.111 -2.507 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.619 -2.652 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.167 -5.674 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.477 -5.867 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.485 -4.580 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.999 -3.268 3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.048 -4.676 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.548 -4.529 2.400 1.00 0.00 H new ATOM 1505 N ASP A 96 1.102 -5.334 2.383 1.00 0.00 N ATOM 1506 CA ASP A 96 0.062 -6.269 1.989 1.00 0.00 C ATOM 1507 C ASP A 96 -1.138 -5.492 1.444 1.00 0.00 C ATOM 1508 O ASP A 96 -1.736 -5.887 0.445 1.00 0.00 O ATOM 1509 CB ASP A 96 -0.415 -7.098 3.183 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.377 -8.614 2.975 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.711 -9.110 2.610 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.437 -9.242 3.185 1.00 0.00 O ATOM 0 H ASP A 96 1.523 -5.522 3.293 1.00 0.00 H new ATOM 0 HA ASP A 96 0.477 -6.933 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.201 -6.850 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.437 -6.805 3.424 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.453 -4.400 2.124 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.570 -3.563 1.721 1.00 0.00 C ATOM 1519 C ALA A 97 -2.378 -3.128 0.267 1.00 0.00 C ATOM 1520 O ALA A 97 -3.311 -3.190 -0.532 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.688 -2.373 2.675 1.00 0.00 C ATOM 0 H ALA A 97 -0.954 -4.075 2.952 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.506 -4.120 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.526 -1.746 2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.854 -2.735 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.768 -1.789 2.644 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.160 -2.699 -0.033 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.833 -2.254 -1.377 1.00 0.00 C ATOM 1529 C PHE A 98 -0.719 -3.441 -2.335 1.00 0.00 C ATOM 1530 O PHE A 98 -1.242 -3.398 -3.447 1.00 0.00 O ATOM 1531 CB PHE A 98 0.521 -1.546 -1.296 1.00 0.00 C ATOM 1532 CG PHE A 98 0.431 -0.072 -0.897 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.102 0.835 -1.759 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.882 0.331 0.321 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.186 2.203 -1.388 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.798 1.699 0.692 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.266 2.606 -0.171 1.00 0.00 C ATOM 0 H PHE A 98 -0.388 -2.650 0.632 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.615 -1.594 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.150 -2.069 -0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.016 -1.620 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.461 0.515 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.304 -0.389 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.609 2.923 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.156 2.019 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.203 3.647 0.111 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.032 -4.473 -1.868 1.00 0.00 N ATOM 1548 CA GLN A 99 0.157 -5.670 -2.669 1.00 0.00 C ATOM 1549 C GLN A 99 -1.194 -6.313 -2.991 1.00 0.00 C ATOM 1550 O GLN A 99 -1.528 -6.510 -4.158 1.00 0.00 O ATOM 1551 CB GLN A 99 1.081 -6.663 -1.962 1.00 0.00 C ATOM 1552 CG GLN A 99 2.527 -6.499 -2.434 1.00 0.00 C ATOM 1553 CD GLN A 99 2.670 -6.881 -3.909 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.062 -7.821 -4.394 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.503 -6.101 -4.592 1.00 0.00 N ATOM 0 H GLN A 99 0.401 -4.505 -0.945 1.00 0.00 H new ATOM 0 HA GLN A 99 0.634 -5.384 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.027 -6.511 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.744 -7.681 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.845 -5.467 -2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.184 -7.123 -1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.980 -5.331 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.665 -6.273 -5.584 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.933 -6.620 -1.936 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.240 -7.236 -2.092 1.00 0.00 C ATOM 1566 C GLU A 100 -4.098 -6.422 -3.063 1.00 0.00 C ATOM 1567 O GLU A 100 -4.925 -6.979 -3.783 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.939 -7.390 -0.740 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.417 -8.617 0.011 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.423 -9.084 1.065 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.619 -9.167 0.711 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -3.973 -9.347 2.201 1.00 0.00 O ATOM 0 H GLU A 100 -1.652 -6.454 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.102 -8.234 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.777 -6.495 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.015 -7.482 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.223 -9.425 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.468 -8.378 0.490 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.872 -5.117 -3.051 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.614 -4.220 -3.921 1.00 0.00 C ATOM 1581 C GLY A 101 -4.299 -4.500 -5.392 1.00 0.00 C ATOM 1582 O GLY A 101 -5.180 -4.893 -6.156 1.00 0.00 O ATOM 0 H GLY A 101 -3.185 -4.659 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.683 -4.338 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.364 -3.186 -3.682 1.00 0.00 H new ATOM 1586 N THR A 102 -3.040 -4.285 -5.746 1.00 0.00 N ATOM 1587 CA THR A 102 -2.598 -4.509 -7.112 1.00 0.00 C ATOM 1588 C THR A 102 -3.012 -5.904 -7.585 1.00 0.00 C ATOM 1589 O THR A 102 -3.428 -6.077 -8.729 1.00 0.00 O ATOM 1590 CB THR A 102 -1.087 -4.273 -7.165 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.545 -5.310 -6.351 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.671 -2.984 -6.453 1.00 0.00 C ATOM 0 H THR A 102 -2.312 -3.958 -5.110 1.00 0.00 H new ATOM 0 HA THR A 102 -3.075 -3.812 -7.801 1.00 0.00 H new ATOM 0 HB THR A 102 -0.762 -4.235 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.075 -5.393 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.410 -2.864 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.161 -2.133 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.966 -3.036 -5.405 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.883 -6.863 -6.680 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.238 -8.237 -6.990 1.00 0.00 C ATOM 1602 C VAL A 103 -4.728 -8.449 -6.714 1.00 0.00 C ATOM 1603 O VAL A 103 -5.485 -7.486 -6.600 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.343 -9.199 -6.206 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.865 -8.933 -6.497 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.630 -9.115 -4.706 1.00 0.00 C ATOM 0 H VAL A 103 -2.537 -6.715 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.070 -8.445 -8.047 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.572 -10.213 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.251 -9.630 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.674 -9.067 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.616 -7.912 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.981 -9.809 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.443 -8.100 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.672 -9.377 -4.520 1.00 0.00 H new ATOM 1616 N SER A 104 -5.106 -9.715 -6.616 1.00 0.00 N ATOM 1617 CA SER A 104 -6.492 -10.065 -6.356 1.00 0.00 C ATOM 1618 C SER A 104 -6.616 -10.725 -4.982 1.00 0.00 C ATOM 1619 O SER A 104 -7.609 -11.393 -4.698 1.00 0.00 O ATOM 1620 CB SER A 104 -7.038 -10.994 -7.443 1.00 0.00 C ATOM 1621 OG SER A 104 -8.440 -11.209 -7.306 1.00 0.00 O ATOM 0 H SER A 104 -4.476 -10.511 -6.712 1.00 0.00 H new ATOM 0 HA SER A 104 -7.084 -9.150 -6.367 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.831 -10.566 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.518 -11.951 -7.397 1.00 0.00 H new ATOM 0 HG SER A 104 -8.654 -11.383 -6.366 1.00 0.00 H new ATOM 1627 N GLY A 105 -5.594 -10.515 -4.165 1.00 0.00 N ATOM 1628 CA GLY A 105 -5.576 -11.082 -2.828 1.00 0.00 C ATOM 1629 C GLY A 105 -4.700 -12.336 -2.774 1.00 0.00 C ATOM 1630 O GLY A 105 -3.820 -12.519 -3.614 1.00 0.00 O ATOM 0 H GLY A 105 -4.772 -9.960 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.201 -10.342 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.592 -11.331 -2.521 1.00 0.00 H new ATOM 1634 N PRO A 106 -4.979 -13.189 -1.753 1.00 0.00 N ATOM 1635 CA PRO A 106 -4.227 -14.420 -1.579 1.00 0.00 C ATOM 1636 C PRO A 106 -4.644 -15.467 -2.614 1.00 0.00 C ATOM 1637 O PRO A 106 -3.799 -16.169 -3.167 1.00 0.00 O ATOM 1638 CB PRO A 106 -4.507 -14.853 -0.149 1.00 0.00 C ATOM 1639 CG PRO A 106 -5.763 -14.109 0.274 1.00 0.00 C ATOM 1640 CD PRO A 106 -6.014 -13.005 -0.740 1.00 0.00 C ATOM 0 HA PRO A 106 -3.157 -14.286 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.653 -15.931 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.669 -14.608 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.614 -14.789 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -5.640 -13.690 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.011 -13.085 -1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.945 -12.020 -0.278 1.00 0.00 H new ATOM 1648 N SER A 107 -5.947 -15.540 -2.844 1.00 0.00 N ATOM 1649 CA SER A 107 -6.486 -16.490 -3.802 1.00 0.00 C ATOM 1650 C SER A 107 -7.995 -16.285 -3.949 1.00 0.00 C ATOM 1651 O SER A 107 -8.783 -16.933 -3.262 1.00 0.00 O ATOM 1652 CB SER A 107 -6.184 -17.929 -3.380 1.00 0.00 C ATOM 1653 OG SER A 107 -6.817 -18.268 -2.149 1.00 0.00 O ATOM 0 H SER A 107 -6.645 -14.956 -2.383 1.00 0.00 H new ATOM 0 HA SER A 107 -6.006 -16.315 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.518 -18.613 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.106 -18.059 -3.282 1.00 0.00 H new ATOM 0 HG SER A 107 -7.767 -18.031 -2.193 1.00 0.00 H new ATOM 1659 N SER A 108 -8.353 -15.382 -4.850 1.00 0.00 N ATOM 1660 CA SER A 108 -9.753 -15.084 -5.096 1.00 0.00 C ATOM 1661 C SER A 108 -10.389 -14.485 -3.840 1.00 0.00 C ATOM 1662 O SER A 108 -9.796 -14.517 -2.763 1.00 0.00 O ATOM 1663 CB SER A 108 -10.515 -16.337 -5.531 1.00 0.00 C ATOM 1664 OG SER A 108 -10.549 -16.476 -6.948 1.00 0.00 O ATOM 0 H SER A 108 -7.697 -14.847 -5.419 1.00 0.00 H new ATOM 0 HA SER A 108 -9.811 -14.357 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.046 -17.217 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.534 -16.293 -5.146 1.00 0.00 H new ATOM 0 HG SER A 108 -11.043 -17.289 -7.185 1.00 0.00 H new ATOM 1670 N GLY A 109 -11.589 -13.952 -4.020 1.00 0.00 N ATOM 1671 CA GLY A 109 -12.312 -13.346 -2.915 1.00 0.00 C ATOM 1672 C GLY A 109 -13.782 -13.770 -2.924 1.00 0.00 C ATOM 1673 O GLY A 109 -14.508 -13.526 -1.961 1.00 0.00 O ATOM 0 H GLY A 109 -12.078 -13.927 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.851 -13.637 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.242 -12.260 -2.982 1.00 0.00 H new TER 1677 GLY A 109