USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 69 SER OG : rot 74:sc= 0.49 USER MOD Set 1.2: A 82 GLN : amide:sc= 0.307 X(o=0.8,f=0.92) USER MOD Set 2.1: A 59 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.87) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -160:sc= -1.65 USER MOD Single : A 33 SER OG : rot 180:sc= -0.688 USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -0.913 (180deg=-2.22!) USER MOD Single : A 36 ASN :FLIP amide:sc= -6.27! C(o=-8!,f=-6.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 38:sc= 0.298! USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0292) USER MOD Single : A 54 ASN : amide:sc= -2.28 K(o=-2.3,f=-5.6!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 1:sc= -0.643 USER MOD Single : A 63 ASN : amide:sc= 0.449 X(o=0.45,f=-0.0014) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -133:sc= -0.032 (180deg=-0.231) USER MOD Single : A 74 SER OG : rot 180:sc= 0.114 USER MOD Single : A 75 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=0) USER MOD Single : A 76 ASN : amide:sc=-0.00329 K(o=-0.0033,f=-0.89) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 80 HIS : no HE2:sc= -0.522 X(o=-0.52,f=-0.13) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -170:sc= 0.258 USER MOD Single : A 97 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 98 ASN : amide:sc= -3.19! C(o=-3.2!,f=-4.8!) USER MOD Single : A 99 SER OG : rot 160:sc= -0.931 USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0594) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -14.025 -3.268 3.577 1.00 0.00 N ATOM 67 CA TYR A 8 -13.129 -4.306 4.072 1.00 0.00 C ATOM 68 C TYR A 8 -12.142 -3.735 5.087 1.00 0.00 C ATOM 69 O TYR A 8 -11.821 -4.377 6.086 1.00 0.00 O ATOM 70 CB TYR A 8 -12.369 -4.949 2.911 1.00 0.00 C ATOM 71 CG TYR A 8 -13.237 -5.813 2.024 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.252 -5.256 1.257 1.00 0.00 C ATOM 73 CD2 TYR A 8 -13.041 -7.187 1.953 1.00 0.00 C ATOM 74 CE1 TYR A 8 -15.048 -6.041 0.446 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.831 -7.980 1.144 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.834 -7.403 0.393 1.00 0.00 C ATOM 77 OH TYR A 8 -15.624 -8.189 -0.415 1.00 0.00 O ATOM 0 HA TYR A 8 -13.733 -5.066 4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.914 -4.164 2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.556 -5.555 3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.422 -4.190 1.295 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.258 -7.642 2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.833 -5.591 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.664 -9.046 1.100 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.342 -9.124 -0.338 1.00 0.00 H new ATOM 87 N GLY A 9 -11.664 -2.523 4.821 1.00 0.00 N ATOM 88 CA GLY A 9 -10.719 -1.885 5.718 1.00 0.00 C ATOM 89 C GLY A 9 -9.400 -1.568 5.042 1.00 0.00 C ATOM 90 O GLY A 9 -8.953 -2.304 4.162 1.00 0.00 O ATOM 0 H GLY A 9 -11.915 -1.972 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.155 -0.964 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.538 -2.536 6.573 1.00 0.00 H new ATOM 94 N SER A 10 -8.776 -0.468 5.451 1.00 0.00 N ATOM 95 CA SER A 10 -7.503 -0.052 4.874 1.00 0.00 C ATOM 96 C SER A 10 -6.363 -0.926 5.387 1.00 0.00 C ATOM 97 O SER A 10 -5.460 -1.291 4.634 1.00 0.00 O ATOM 98 CB SER A 10 -7.224 1.416 5.205 1.00 0.00 C ATOM 99 OG SER A 10 -7.220 1.630 6.606 1.00 0.00 O ATOM 0 H SER A 10 -9.131 0.151 6.180 1.00 0.00 H new ATOM 0 HA SER A 10 -7.568 -0.167 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.262 1.710 4.786 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.981 2.047 4.739 1.00 0.00 H new ATOM 0 HG SER A 10 -7.038 2.575 6.792 1.00 0.00 H new ATOM 105 N GLU A 11 -6.413 -1.258 6.673 1.00 0.00 N ATOM 106 CA GLU A 11 -5.384 -2.089 7.287 1.00 0.00 C ATOM 107 C GLU A 11 -5.928 -3.477 7.614 1.00 0.00 C ATOM 108 O GLU A 11 -7.140 -3.676 7.702 1.00 0.00 O ATOM 109 CB GLU A 11 -4.853 -1.425 8.559 1.00 0.00 C ATOM 110 CG GLU A 11 -5.945 -1.009 9.530 1.00 0.00 C ATOM 111 CD GLU A 11 -6.976 -2.099 9.750 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.591 -3.196 10.206 1.00 0.00 O ATOM 113 OE2 GLU A 11 -8.167 -1.855 9.466 1.00 0.00 O ATOM 0 H GLU A 11 -7.154 -0.965 7.309 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.567 -2.197 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.174 -2.114 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.269 -0.547 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.494 -0.742 10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.441 -0.115 9.152 1.00 0.00 H new ATOM 120 N LYS A 12 -5.023 -4.434 7.792 1.00 0.00 N ATOM 121 CA LYS A 12 -5.410 -5.803 8.110 1.00 0.00 C ATOM 122 C LYS A 12 -4.195 -6.631 8.515 1.00 0.00 C ATOM 123 O LYS A 12 -3.062 -6.308 8.157 1.00 0.00 O ATOM 124 CB LYS A 12 -6.104 -6.450 6.909 1.00 0.00 C ATOM 125 CG LYS A 12 -6.066 -7.969 6.930 1.00 0.00 C ATOM 126 CD LYS A 12 -6.828 -8.562 5.757 1.00 0.00 C ATOM 127 CE LYS A 12 -6.658 -10.072 5.688 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.683 -10.783 6.501 1.00 0.00 N ATOM 0 H LYS A 12 -4.016 -4.286 7.721 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.104 -5.773 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.143 -6.121 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.632 -6.096 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.031 -8.308 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.495 -8.332 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.886 -8.318 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.476 -8.112 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.727 -10.398 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.663 -10.342 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.533 -11.810 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.601 -10.491 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.632 -10.546 6.148 1.00 0.00 H new ATOM 142 N LYS A 13 -4.438 -7.703 9.262 1.00 0.00 N ATOM 143 CA LYS A 13 -3.364 -8.580 9.714 1.00 0.00 C ATOM 144 C LYS A 13 -3.699 -10.041 9.429 1.00 0.00 C ATOM 145 O LYS A 13 -4.865 -10.433 9.435 1.00 0.00 O ATOM 146 CB LYS A 13 -3.115 -8.386 11.212 1.00 0.00 C ATOM 147 CG LYS A 13 -2.118 -9.372 11.795 1.00 0.00 C ATOM 148 CD LYS A 13 -2.183 -9.398 13.313 1.00 0.00 C ATOM 149 CE LYS A 13 -1.620 -8.121 13.917 1.00 0.00 C ATOM 150 NZ LYS A 13 -2.091 -7.914 15.315 1.00 0.00 N ATOM 0 H LYS A 13 -5.369 -7.985 9.567 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.460 -8.318 9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.753 -7.372 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.061 -8.481 11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.320 -10.369 11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.111 -9.103 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.217 -9.527 13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.624 -10.256 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.531 -8.162 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.915 -7.269 13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.685 -7.033 15.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.129 -7.849 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.788 -8.715 15.906 1.00 0.00 H new ATOM 164 N GLY A 14 -2.667 -10.842 9.181 1.00 0.00 N ATOM 165 CA GLY A 14 -2.873 -12.251 8.898 1.00 0.00 C ATOM 166 C GLY A 14 -1.614 -12.932 8.400 1.00 0.00 C ATOM 167 O GLY A 14 -0.518 -12.664 8.893 1.00 0.00 O ATOM 0 H GLY A 14 -1.693 -10.541 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.221 -12.753 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.660 -12.357 8.151 1.00 0.00 H new ATOM 171 N TYR A 15 -1.770 -13.818 7.422 1.00 0.00 N ATOM 172 CA TYR A 15 -0.637 -14.543 6.860 1.00 0.00 C ATOM 173 C TYR A 15 -0.754 -14.645 5.342 1.00 0.00 C ATOM 174 O TYR A 15 -1.855 -14.739 4.797 1.00 0.00 O ATOM 175 CB TYR A 15 -0.547 -15.942 7.471 1.00 0.00 C ATOM 176 CG TYR A 15 0.153 -15.974 8.811 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.417 -15.379 9.929 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.386 -16.599 8.958 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.220 -15.405 11.155 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.029 -16.631 10.180 1.00 0.00 C ATOM 181 CZ TYR A 15 1.442 -16.032 11.275 1.00 0.00 C ATOM 182 OH TYR A 15 2.080 -16.061 12.494 1.00 0.00 O ATOM 0 H TYR A 15 -2.670 -14.051 7.002 1.00 0.00 H new ATOM 0 HA TYR A 15 0.271 -13.990 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.553 -16.344 7.587 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.019 -16.598 6.779 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.374 -14.888 9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.849 -17.068 8.102 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.237 -14.937 12.014 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.986 -17.122 10.278 1.00 0.00 H new ATOM 0 HH TYR A 15 2.929 -16.542 12.407 1.00 0.00 H new ATOM 192 N LEU A 16 0.388 -14.626 4.665 1.00 0.00 N ATOM 193 CA LEU A 16 0.416 -14.717 3.209 1.00 0.00 C ATOM 194 C LEU A 16 1.660 -15.462 2.734 1.00 0.00 C ATOM 195 O LEU A 16 2.616 -15.641 3.490 1.00 0.00 O ATOM 196 CB LEU A 16 0.377 -13.319 2.590 1.00 0.00 C ATOM 197 CG LEU A 16 -1.006 -12.679 2.465 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.888 -11.250 1.957 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.894 -13.503 1.545 1.00 0.00 C ATOM 0 H LEU A 16 1.307 -14.548 5.100 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.464 -15.274 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.007 -12.661 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.823 -13.371 1.597 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.465 -12.655 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.882 -10.810 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.289 -10.664 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.409 -11.250 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.874 -13.032 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.440 -13.560 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.005 -14.508 1.951 1.00 0.00 H new ATOM 211 N LEU A 17 1.641 -15.892 1.477 1.00 0.00 N ATOM 212 CA LEU A 17 2.769 -16.615 0.900 1.00 0.00 C ATOM 213 C LEU A 17 3.654 -15.680 0.082 1.00 0.00 C ATOM 214 O LEU A 17 3.179 -14.696 -0.486 1.00 0.00 O ATOM 215 CB LEU A 17 2.267 -17.762 0.019 1.00 0.00 C ATOM 216 CG LEU A 17 1.446 -18.840 0.726 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.750 -19.733 -0.291 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.331 -19.667 1.647 1.00 0.00 C ATOM 0 H LEU A 17 0.858 -15.753 0.839 1.00 0.00 H new ATOM 0 HA LEU A 17 3.363 -17.025 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.661 -17.340 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.129 -18.238 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 17 0.684 -18.350 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.170 -20.495 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.085 -19.130 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.496 -20.214 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.729 -20.429 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.116 -20.147 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.783 -19.018 2.397 1.00 0.00 H new ATOM 230 N LYS A 18 4.943 -15.996 0.023 1.00 0.00 N ATOM 231 CA LYS A 18 5.896 -15.187 -0.728 1.00 0.00 C ATOM 232 C LYS A 18 6.957 -16.065 -1.384 1.00 0.00 C ATOM 233 O LYS A 18 7.425 -17.038 -0.792 1.00 0.00 O ATOM 234 CB LYS A 18 6.564 -14.163 0.192 1.00 0.00 C ATOM 235 CG LYS A 18 7.324 -13.080 -0.554 1.00 0.00 C ATOM 236 CD LYS A 18 7.586 -11.872 0.331 1.00 0.00 C ATOM 237 CE LYS A 18 8.860 -11.148 -0.078 1.00 0.00 C ATOM 238 NZ LYS A 18 10.054 -11.682 0.634 1.00 0.00 N ATOM 0 H LYS A 18 5.352 -16.807 0.487 1.00 0.00 H new ATOM 0 HA LYS A 18 5.350 -14.661 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.802 -13.696 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.250 -14.682 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.272 -13.481 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.754 -12.773 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.741 -11.186 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.665 -12.191 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.004 -11.247 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.757 -10.084 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.902 -11.163 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.928 -11.565 1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.168 -12.692 0.412 1.00 0.00 H new ATOM 252 N LYS A 19 7.334 -15.715 -2.609 1.00 0.00 N ATOM 253 CA LYS A 19 8.342 -16.469 -3.345 1.00 0.00 C ATOM 254 C LYS A 19 9.747 -16.074 -2.903 1.00 0.00 C ATOM 255 O LYS A 19 10.085 -14.891 -2.860 1.00 0.00 O ATOM 256 CB LYS A 19 8.184 -16.236 -4.849 1.00 0.00 C ATOM 257 CG LYS A 19 8.994 -17.198 -5.701 1.00 0.00 C ATOM 258 CD LYS A 19 8.653 -17.060 -7.176 1.00 0.00 C ATOM 259 CE LYS A 19 7.273 -17.622 -7.484 1.00 0.00 C ATOM 260 NZ LYS A 19 7.048 -17.767 -8.948 1.00 0.00 N ATOM 0 H LYS A 19 6.956 -14.913 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 19 8.197 -17.528 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.131 -16.328 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.484 -15.215 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.057 -17.009 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.804 -18.221 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.691 -16.009 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.401 -17.581 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.160 -18.593 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.511 -16.966 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.097 -18.153 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.131 -16.837 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.759 -18.413 -9.346 1.00 0.00 H new ATOM 385 N TRP A 27 7.784 -21.099 -2.603 1.00 0.00 N ATOM 386 CA TRP A 27 6.962 -20.202 -1.799 1.00 0.00 C ATOM 387 C TRP A 27 7.076 -20.540 -0.316 1.00 0.00 C ATOM 388 O TRP A 27 7.113 -21.711 0.060 1.00 0.00 O ATOM 389 CB TRP A 27 5.500 -20.282 -2.241 1.00 0.00 C ATOM 390 CG TRP A 27 5.286 -19.863 -3.664 1.00 0.00 C ATOM 391 CD1 TRP A 27 5.495 -20.619 -4.782 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.824 -18.587 -4.121 1.00 0.00 C ATOM 393 NE1 TRP A 27 5.190 -19.890 -5.906 1.00 0.00 N ATOM 394 CE2 TRP A 27 4.775 -18.641 -5.528 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.444 -17.405 -3.479 1.00 0.00 C ATOM 396 CZ2 TRP A 27 4.364 -17.558 -6.300 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.036 -16.331 -4.247 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.998 -16.413 -5.645 1.00 0.00 C ATOM 0 HA TRP A 27 7.325 -19.185 -1.950 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.145 -21.305 -2.114 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.896 -19.651 -1.589 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.848 -21.640 -4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.261 -20.225 -6.867 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.469 -17.332 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.335 -17.619 -7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.741 -15.413 -3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.674 -15.556 -6.217 1.00 0.00 H new ATOM 409 N GLN A 28 7.132 -19.508 0.519 1.00 0.00 N ATOM 410 CA GLN A 28 7.243 -19.699 1.961 1.00 0.00 C ATOM 411 C GLN A 28 6.122 -18.970 2.694 1.00 0.00 C ATOM 412 O GLN A 28 5.716 -17.877 2.298 1.00 0.00 O ATOM 413 CB GLN A 28 8.602 -19.202 2.459 1.00 0.00 C ATOM 414 CG GLN A 28 9.779 -19.768 1.682 1.00 0.00 C ATOM 415 CD GLN A 28 10.991 -18.858 1.713 1.00 0.00 C ATOM 416 OE1 GLN A 28 10.966 -17.793 2.331 1.00 0.00 O ATOM 417 NE2 GLN A 28 12.061 -19.274 1.046 1.00 0.00 N ATOM 0 H GLN A 28 7.102 -18.532 0.223 1.00 0.00 H new ATOM 0 HA GLN A 28 7.155 -20.765 2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.626 -18.114 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.712 -19.464 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.049 -20.740 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.480 -19.934 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.037 -20.164 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.907 -18.704 1.032 1.00 0.00 H new ATOM 426 N ARG A 29 5.625 -19.583 3.764 1.00 0.00 N ATOM 427 CA ARG A 29 4.549 -18.993 4.551 1.00 0.00 C ATOM 428 C ARG A 29 5.109 -18.200 5.728 1.00 0.00 C ATOM 429 O ARG A 29 5.993 -18.672 6.444 1.00 0.00 O ATOM 430 CB ARG A 29 3.604 -20.083 5.060 1.00 0.00 C ATOM 431 CG ARG A 29 2.882 -19.711 6.345 1.00 0.00 C ATOM 432 CD ARG A 29 2.149 -20.905 6.937 1.00 0.00 C ATOM 433 NE ARG A 29 0.769 -20.989 6.465 1.00 0.00 N ATOM 434 CZ ARG A 29 -0.162 -21.736 7.047 1.00 0.00 C ATOM 435 NH1 ARG A 29 0.137 -22.460 8.117 1.00 0.00 N ATOM 436 NH2 ARG A 29 -1.396 -21.760 6.559 1.00 0.00 N ATOM 0 H ARG A 29 5.950 -20.487 4.105 1.00 0.00 H new ATOM 0 HA ARG A 29 3.993 -18.311 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.866 -20.301 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.173 -20.998 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.600 -19.328 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.172 -18.909 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.678 -21.821 6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.156 -20.832 8.025 1.00 0.00 H new ATOM 0 HE ARG A 29 0.506 -20.444 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.084 -22.444 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.580 -23.033 8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.630 -21.204 5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.110 -22.334 7.007 1.00 0.00 H new ATOM 450 N ARG A 30 4.590 -16.992 5.922 1.00 0.00 N ATOM 451 CA ARG A 30 5.039 -16.133 7.011 1.00 0.00 C ATOM 452 C ARG A 30 3.913 -15.214 7.478 1.00 0.00 C ATOM 453 O ARG A 30 2.855 -15.142 6.853 1.00 0.00 O ATOM 454 CB ARG A 30 6.241 -15.298 6.568 1.00 0.00 C ATOM 455 CG ARG A 30 6.056 -14.633 5.214 1.00 0.00 C ATOM 456 CD ARG A 30 5.030 -13.512 5.279 1.00 0.00 C ATOM 457 NE ARG A 30 5.196 -12.554 4.190 1.00 0.00 N ATOM 458 CZ ARG A 30 4.814 -12.790 2.939 1.00 0.00 C ATOM 459 NH1 ARG A 30 4.246 -13.945 2.623 1.00 0.00 N ATOM 460 NH2 ARG A 30 4.998 -11.868 2.003 1.00 0.00 N ATOM 0 H ARG A 30 3.858 -16.586 5.339 1.00 0.00 H new ATOM 0 HA ARG A 30 5.335 -16.770 7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.435 -14.530 7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.123 -15.937 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.010 -14.235 4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.738 -15.376 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.027 -13.936 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.119 -12.994 6.234 1.00 0.00 H new ATOM 0 HE ARG A 30 5.629 -11.655 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.101 -14.655 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.954 -14.124 1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.433 -10.977 2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.705 -12.050 1.043 1.00 0.00 H new ATOM 474 N LYS A 31 4.148 -14.514 8.583 1.00 0.00 N ATOM 475 CA LYS A 31 3.156 -13.599 9.135 1.00 0.00 C ATOM 476 C LYS A 31 3.215 -12.245 8.434 1.00 0.00 C ATOM 477 O LYS A 31 4.292 -11.676 8.253 1.00 0.00 O ATOM 478 CB LYS A 31 3.380 -13.418 10.638 1.00 0.00 C ATOM 479 CG LYS A 31 2.217 -12.750 11.350 1.00 0.00 C ATOM 480 CD LYS A 31 2.356 -11.237 11.349 1.00 0.00 C ATOM 481 CE LYS A 31 1.374 -10.586 12.310 1.00 0.00 C ATOM 482 NZ LYS A 31 1.878 -10.596 13.711 1.00 0.00 N ATOM 0 H LYS A 31 5.017 -14.563 9.114 1.00 0.00 H new ATOM 0 HA LYS A 31 2.169 -14.030 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.560 -14.393 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.280 -12.824 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.282 -13.031 10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.163 -13.110 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.374 -10.964 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.188 -10.856 10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.189 -9.558 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.419 -11.110 12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.180 -10.143 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.031 -11.578 14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.776 -10.074 13.761 1.00 0.00 H new ATOM 496 N CYS A 32 2.052 -11.735 8.045 1.00 0.00 N ATOM 497 CA CYS A 32 1.971 -10.447 7.365 1.00 0.00 C ATOM 498 C CYS A 32 1.182 -9.442 8.197 1.00 0.00 C ATOM 499 O CYS A 32 0.380 -9.821 9.051 1.00 0.00 O ATOM 500 CB CYS A 32 1.321 -10.613 5.991 1.00 0.00 C ATOM 501 SG CYS A 32 2.482 -11.038 4.671 1.00 0.00 S ATOM 0 H CYS A 32 1.152 -12.193 8.189 1.00 0.00 H new ATOM 0 HA CYS A 32 2.984 -10.067 7.236 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.558 -11.389 6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.812 -9.686 5.728 1.00 0.00 H new ATOM 0 HG CYS A 32 1.953 -10.751 3.519 1.00 0.00 H new ATOM 507 N SER A 33 1.416 -8.158 7.943 1.00 0.00 N ATOM 508 CA SER A 33 0.731 -7.097 8.672 1.00 0.00 C ATOM 509 C SER A 33 0.734 -5.798 7.872 1.00 0.00 C ATOM 510 O SER A 33 1.756 -5.404 7.311 1.00 0.00 O ATOM 511 CB SER A 33 1.396 -6.873 10.032 1.00 0.00 C ATOM 512 OG SER A 33 2.726 -6.409 9.879 1.00 0.00 O ATOM 0 H SER A 33 2.075 -7.828 7.238 1.00 0.00 H new ATOM 0 HA SER A 33 -0.303 -7.405 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.819 -6.149 10.608 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.395 -7.804 10.598 1.00 0.00 H new ATOM 0 HG SER A 33 3.128 -6.272 10.762 1.00 0.00 H new ATOM 518 N VAL A 34 -0.418 -5.138 7.823 1.00 0.00 N ATOM 519 CA VAL A 34 -0.550 -3.883 7.093 1.00 0.00 C ATOM 520 C VAL A 34 -1.162 -2.797 7.972 1.00 0.00 C ATOM 521 O VAL A 34 -2.241 -2.975 8.537 1.00 0.00 O ATOM 522 CB VAL A 34 -1.417 -4.056 5.832 1.00 0.00 C ATOM 523 CG1 VAL A 34 -1.981 -2.716 5.384 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.610 -4.703 4.716 1.00 0.00 C ATOM 0 H VAL A 34 -1.274 -5.452 8.280 1.00 0.00 H new ATOM 0 HA VAL A 34 0.455 -3.583 6.796 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.253 -4.713 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.591 -2.858 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.595 -2.295 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.162 -2.033 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.238 -4.818 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.246 -4.073 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.259 -5.682 5.041 1.00 0.00 H new ATOM 534 N LYS A 35 -0.465 -1.671 8.082 1.00 0.00 N ATOM 535 CA LYS A 35 -0.939 -0.554 8.891 1.00 0.00 C ATOM 536 C LYS A 35 -0.325 0.759 8.417 1.00 0.00 C ATOM 537 O LYS A 35 0.813 0.791 7.952 1.00 0.00 O ATOM 538 CB LYS A 35 -0.601 -0.785 10.365 1.00 0.00 C ATOM 539 CG LYS A 35 -1.607 -0.171 11.323 1.00 0.00 C ATOM 540 CD LYS A 35 -1.697 -0.960 12.619 1.00 0.00 C ATOM 541 CE LYS A 35 -2.610 -2.168 12.473 1.00 0.00 C ATOM 542 NZ LYS A 35 -1.897 -3.333 11.878 1.00 0.00 N ATOM 0 H LYS A 35 0.430 -1.508 7.621 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.021 -0.490 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.542 -1.857 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.385 -0.370 10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.321 0.858 11.542 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.588 -0.136 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.701 -1.289 12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.070 -0.315 13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.006 -2.445 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.463 -1.905 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.281 -4.214 12.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.029 -3.331 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.882 -3.268 12.097 1.00 0.00 H new ATOM 556 N ASN A 36 -1.087 1.842 8.540 1.00 0.00 N ATOM 557 CA ASN A 36 -0.617 3.158 8.125 1.00 0.00 C ATOM 558 C ASN A 36 -0.052 3.113 6.708 1.00 0.00 C ATOM 559 O ASN A 36 0.817 3.906 6.350 1.00 0.00 O ATOM 560 CB ASN A 36 0.450 3.671 9.095 1.00 0.00 C ATOM 561 CG ASN A 36 1.218 2.544 9.758 1.00 0.00 C ATOM 562 OD1 ASN A 36 0.652 1.988 10.822 1.00 0.00 O flip ATOM 563 ND2 ASN A 36 2.308 2.177 9.317 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.032 1.833 8.924 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.467 3.840 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.146 4.315 8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.024 4.284 9.861 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.706 2.633 8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.813 1.417 9.773 1.00 0.00 H new ATOM 570 N GLY A 37 -0.555 2.179 5.907 1.00 0.00 N ATOM 571 CA GLY A 37 -0.090 2.047 4.538 1.00 0.00 C ATOM 572 C GLY A 37 1.284 1.413 4.451 1.00 0.00 C ATOM 573 O GLY A 37 2.057 1.713 3.541 1.00 0.00 O ATOM 0 H GLY A 37 -1.276 1.511 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.801 1.445 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.063 3.031 4.070 1.00 0.00 H new ATOM 577 N ILE A 38 1.589 0.534 5.400 1.00 0.00 N ATOM 578 CA ILE A 38 2.879 -0.144 5.426 1.00 0.00 C ATOM 579 C ILE A 38 2.710 -1.638 5.677 1.00 0.00 C ATOM 580 O ILE A 38 2.017 -2.048 6.609 1.00 0.00 O ATOM 581 CB ILE A 38 3.803 0.446 6.509 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.913 1.963 6.345 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.178 -0.201 6.442 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.657 2.383 5.097 1.00 0.00 C ATOM 0 H ILE A 38 0.961 0.275 6.161 1.00 0.00 H new ATOM 0 HA ILE A 38 3.335 0.008 4.448 1.00 0.00 H new ATOM 0 HB ILE A 38 3.372 0.236 7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.911 2.392 6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.418 2.379 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.819 0.226 7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.083 -1.275 6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.619 -0.019 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.696 3.471 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.671 1.984 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.140 1.997 4.218 1.00 0.00 H new ATOM 596 N LEU A 39 3.349 -2.449 4.841 1.00 0.00 N ATOM 597 CA LEU A 39 3.272 -3.900 4.973 1.00 0.00 C ATOM 598 C LEU A 39 4.579 -4.468 5.516 1.00 0.00 C ATOM 599 O LEU A 39 5.631 -4.345 4.887 1.00 0.00 O ATOM 600 CB LEU A 39 2.948 -4.538 3.621 1.00 0.00 C ATOM 601 CG LEU A 39 3.251 -6.031 3.493 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.267 -6.848 4.316 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.213 -6.460 2.034 1.00 0.00 C ATOM 0 H LEU A 39 3.926 -2.127 4.064 1.00 0.00 H new ATOM 0 HA LEU A 39 2.475 -4.134 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.889 -4.384 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.505 -4.007 2.849 1.00 0.00 H new ATOM 0 HG LEU A 39 4.254 -6.212 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.498 -7.908 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.343 -6.561 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.253 -6.662 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.431 -7.526 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.223 -6.264 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.958 -5.899 1.470 1.00 0.00 H new ATOM 615 N THR A 40 4.506 -5.092 6.687 1.00 0.00 N ATOM 616 CA THR A 40 5.682 -5.681 7.314 1.00 0.00 C ATOM 617 C THR A 40 5.761 -7.178 7.040 1.00 0.00 C ATOM 618 O THR A 40 4.874 -7.938 7.431 1.00 0.00 O ATOM 619 CB THR A 40 5.682 -5.449 8.837 1.00 0.00 C ATOM 620 OG1 THR A 40 5.388 -4.077 9.124 1.00 0.00 O ATOM 621 CG2 THR A 40 7.028 -5.822 9.441 1.00 0.00 C ATOM 0 H THR A 40 3.644 -5.203 7.221 1.00 0.00 H new ATOM 0 HA THR A 40 6.551 -5.189 6.878 1.00 0.00 H new ATOM 0 HB THR A 40 4.915 -6.084 9.279 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.388 -3.938 10.094 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.004 -5.650 10.517 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.235 -6.874 9.246 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.810 -5.209 8.993 1.00 0.00 H new ATOM 629 N ILE A 41 6.827 -7.596 6.366 1.00 0.00 N ATOM 630 CA ILE A 41 7.022 -9.004 6.042 1.00 0.00 C ATOM 631 C ILE A 41 7.915 -9.687 7.072 1.00 0.00 C ATOM 632 O ILE A 41 9.135 -9.526 7.055 1.00 0.00 O ATOM 633 CB ILE A 41 7.644 -9.178 4.644 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.746 -8.544 3.579 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.868 -10.653 4.344 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.491 -8.123 2.332 1.00 0.00 C ATOM 0 H ILE A 41 7.569 -6.980 6.034 1.00 0.00 H new ATOM 0 HA ILE A 41 6.037 -9.470 6.054 1.00 0.00 H new ATOM 0 HB ILE A 41 8.609 -8.672 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.966 -9.254 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.249 -7.673 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.308 -10.760 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.542 -11.077 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.914 -11.180 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.792 -7.682 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.253 -7.389 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.966 -8.994 1.880 1.00 0.00 H new ATOM 648 N SER A 42 7.298 -10.453 7.967 1.00 0.00 N ATOM 649 CA SER A 42 8.036 -11.160 9.006 1.00 0.00 C ATOM 650 C SER A 42 9.076 -12.094 8.394 1.00 0.00 C ATOM 651 O SER A 42 8.734 -13.071 7.728 1.00 0.00 O ATOM 652 CB SER A 42 7.076 -11.958 9.890 1.00 0.00 C ATOM 653 OG SER A 42 6.660 -13.150 9.247 1.00 0.00 O ATOM 0 H SER A 42 6.289 -10.599 7.993 1.00 0.00 H new ATOM 0 HA SER A 42 8.552 -10.420 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.564 -12.202 10.834 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.205 -11.348 10.130 1.00 0.00 H new ATOM 0 HG SER A 42 7.411 -13.530 8.746 1.00 0.00 H new ATOM 767 N PRO A 50 12.089 -6.435 10.532 1.00 0.00 N ATOM 768 CA PRO A 50 11.502 -6.986 9.307 1.00 0.00 C ATOM 769 C PRO A 50 11.630 -6.034 8.123 1.00 0.00 C ATOM 770 O PRO A 50 12.303 -5.007 8.211 1.00 0.00 O ATOM 771 CB PRO A 50 10.030 -7.185 9.677 1.00 0.00 C ATOM 772 CG PRO A 50 9.777 -6.200 10.765 1.00 0.00 C ATOM 773 CD PRO A 50 11.065 -6.090 11.533 1.00 0.00 C ATOM 0 HA PRO A 50 12.004 -7.901 8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.379 -7.006 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.841 -8.204 10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.483 -5.233 10.356 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.965 -6.533 11.411 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.212 -5.085 11.929 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.086 -6.773 12.382 1.00 0.00 H new ATOM 781 N ALA A 51 10.980 -6.381 7.017 1.00 0.00 N ATOM 782 CA ALA A 51 11.019 -5.555 5.817 1.00 0.00 C ATOM 783 C ALA A 51 9.774 -4.680 5.711 1.00 0.00 C ATOM 784 O ALA A 51 8.650 -5.182 5.698 1.00 0.00 O ATOM 785 CB ALA A 51 11.160 -6.428 4.579 1.00 0.00 C ATOM 0 H ALA A 51 10.420 -7.229 6.927 1.00 0.00 H new ATOM 0 HA ALA A 51 11.887 -4.899 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.188 -5.797 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.083 -7.005 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.311 -7.108 4.515 1.00 0.00 H new ATOM 791 N LYS A 52 9.982 -3.370 5.636 1.00 0.00 N ATOM 792 CA LYS A 52 8.877 -2.425 5.531 1.00 0.00 C ATOM 793 C LYS A 52 8.688 -1.968 4.088 1.00 0.00 C ATOM 794 O LYS A 52 9.600 -1.407 3.479 1.00 0.00 O ATOM 795 CB LYS A 52 9.126 -1.214 6.432 1.00 0.00 C ATOM 796 CG LYS A 52 9.137 -1.550 7.913 1.00 0.00 C ATOM 797 CD LYS A 52 7.741 -1.480 8.511 1.00 0.00 C ATOM 798 CE LYS A 52 7.789 -1.293 10.019 1.00 0.00 C ATOM 799 NZ LYS A 52 8.474 -2.428 10.698 1.00 0.00 N ATOM 0 H LYS A 52 10.906 -2.938 5.646 1.00 0.00 H new ATOM 0 HA LYS A 52 7.968 -2.930 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.081 -0.762 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.355 -0.467 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.546 -2.550 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.794 -0.858 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.191 -0.655 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.196 -2.394 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.308 -0.363 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.774 -1.198 10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.441 -2.287 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.995 -3.318 10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.465 -2.472 10.386 1.00 0.00 H new ATOM 813 N LEU A 53 7.499 -2.209 3.546 1.00 0.00 N ATOM 814 CA LEU A 53 7.189 -1.820 2.175 1.00 0.00 C ATOM 815 C LEU A 53 6.164 -0.691 2.147 1.00 0.00 C ATOM 816 O LEU A 53 5.121 -0.771 2.796 1.00 0.00 O ATOM 817 CB LEU A 53 6.663 -3.022 1.389 1.00 0.00 C ATOM 818 CG LEU A 53 7.722 -3.947 0.789 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.202 -5.374 0.710 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.141 -3.454 -0.589 1.00 0.00 C ATOM 0 H LEU A 53 6.734 -2.672 4.036 1.00 0.00 H new ATOM 0 HA LEU A 53 8.107 -1.463 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.026 -3.611 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.031 -2.654 0.581 1.00 0.00 H new ATOM 0 HG LEU A 53 8.597 -3.936 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.970 -6.018 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.952 -5.726 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.311 -5.403 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.895 -4.124 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.273 -3.435 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.555 -2.449 -0.506 1.00 0.00 H new ATOM 832 N ASN A 54 6.466 0.358 1.389 1.00 0.00 N ATOM 833 CA ASN A 54 5.570 1.502 1.275 1.00 0.00 C ATOM 834 C ASN A 54 4.427 1.204 0.308 1.00 0.00 C ATOM 835 O ASN A 54 4.638 1.074 -0.898 1.00 0.00 O ATOM 836 CB ASN A 54 6.342 2.737 0.805 1.00 0.00 C ATOM 837 CG ASN A 54 5.731 4.029 1.313 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.073 4.050 2.353 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.947 5.114 0.578 1.00 0.00 N ATOM 0 H ASN A 54 7.325 0.439 0.845 1.00 0.00 H new ATOM 0 HA ASN A 54 5.147 1.700 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.375 2.668 1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.367 2.754 -0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.561 6.012 0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.499 5.049 -0.277 1.00 0.00 H new ATOM 846 N LEU A 55 3.218 1.098 0.846 1.00 0.00 N ATOM 847 CA LEU A 55 2.040 0.816 0.032 1.00 0.00 C ATOM 848 C LEU A 55 1.629 2.043 -0.774 1.00 0.00 C ATOM 849 O LEU A 55 0.777 1.961 -1.660 1.00 0.00 O ATOM 850 CB LEU A 55 0.880 0.361 0.918 1.00 0.00 C ATOM 851 CG LEU A 55 0.867 -1.119 1.301 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.165 -1.503 1.994 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.328 -1.430 2.191 1.00 0.00 C ATOM 0 H LEU A 55 3.027 1.203 1.842 1.00 0.00 H new ATOM 0 HA LEU A 55 2.293 0.016 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.895 0.952 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.054 0.591 0.405 1.00 0.00 H new ATOM 0 HG LEU A 55 0.778 -1.709 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.137 -2.560 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.004 -1.319 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.286 -0.905 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.321 -2.488 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.271 -0.830 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.249 -1.195 1.658 1.00 0.00 H new ATOM 865 N LEU A 56 2.241 3.181 -0.464 1.00 0.00 N ATOM 866 CA LEU A 56 1.941 4.426 -1.161 1.00 0.00 C ATOM 867 C LEU A 56 2.402 4.362 -2.613 1.00 0.00 C ATOM 868 O LEU A 56 2.005 5.185 -3.440 1.00 0.00 O ATOM 869 CB LEU A 56 2.611 5.605 -0.453 1.00 0.00 C ATOM 870 CG LEU A 56 2.565 5.584 1.076 1.00 0.00 C ATOM 871 CD1 LEU A 56 3.056 6.906 1.643 1.00 0.00 C ATOM 872 CD2 LEU A 56 1.155 5.283 1.563 1.00 0.00 C ATOM 0 H LEU A 56 2.948 3.267 0.266 1.00 0.00 H new ATOM 0 HA LEU A 56 0.860 4.569 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.655 5.645 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.140 6.525 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 56 3.226 4.793 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.016 6.872 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.083 7.080 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.421 7.715 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.141 5.272 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.473 6.051 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.840 4.310 1.186 1.00 0.00 H new ATOM 884 N THR A 57 3.242 3.378 -2.920 1.00 0.00 N ATOM 885 CA THR A 57 3.756 3.206 -4.272 1.00 0.00 C ATOM 886 C THR A 57 3.549 1.777 -4.761 1.00 0.00 C ATOM 887 O THR A 57 3.416 1.535 -5.962 1.00 0.00 O ATOM 888 CB THR A 57 5.256 3.550 -4.351 1.00 0.00 C ATOM 889 OG1 THR A 57 5.822 3.002 -5.547 1.00 0.00 O ATOM 890 CG2 THR A 57 5.999 3.012 -3.138 1.00 0.00 C ATOM 0 H THR A 57 3.580 2.688 -2.249 1.00 0.00 H new ATOM 0 HA THR A 57 3.199 3.891 -4.911 1.00 0.00 H new ATOM 0 HB THR A 57 5.357 4.635 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.775 3.226 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.056 3.267 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.585 3.454 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.889 1.928 -3.095 1.00 0.00 H new ATOM 898 N CYS A 58 3.521 0.835 -3.826 1.00 0.00 N ATOM 899 CA CYS A 58 3.329 -0.572 -4.162 1.00 0.00 C ATOM 900 C CYS A 58 2.206 -0.739 -5.181 1.00 0.00 C ATOM 901 O CYS A 58 1.148 -0.123 -5.058 1.00 0.00 O ATOM 902 CB CYS A 58 3.016 -1.381 -2.903 1.00 0.00 C ATOM 903 SG CYS A 58 1.254 -1.474 -2.505 1.00 0.00 S ATOM 0 H CYS A 58 3.629 1.019 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 58 4.254 -0.944 -4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.403 -2.392 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.545 -0.939 -2.059 1.00 0.00 H new ATOM 0 HG CYS A 58 0.571 -0.832 -3.406 1.00 0.00 H new ATOM 909 N GLN A 59 2.447 -1.573 -6.187 1.00 0.00 N ATOM 910 CA GLN A 59 1.456 -1.818 -7.229 1.00 0.00 C ATOM 911 C GLN A 59 0.903 -3.236 -7.131 1.00 0.00 C ATOM 912 O GLN A 59 1.569 -4.201 -7.508 1.00 0.00 O ATOM 913 CB GLN A 59 2.072 -1.593 -8.611 1.00 0.00 C ATOM 914 CG GLN A 59 1.061 -1.170 -9.665 1.00 0.00 C ATOM 915 CD GLN A 59 1.713 -0.526 -10.873 1.00 0.00 C ATOM 916 OE1 GLN A 59 2.903 -0.717 -11.127 1.00 0.00 O ATOM 917 NE2 GLN A 59 0.935 0.244 -11.625 1.00 0.00 N ATOM 0 H GLN A 59 3.319 -2.090 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 59 0.634 -1.116 -7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.846 -0.830 -8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.561 -2.511 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.490 -2.041 -9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.352 -0.470 -9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.046 0.374 -11.377 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.318 0.705 -12.450 1.00 0.00 H new ATOM 926 N VAL A 60 -0.319 -3.356 -6.621 1.00 0.00 N ATOM 927 CA VAL A 60 -0.962 -4.656 -6.474 1.00 0.00 C ATOM 928 C VAL A 60 -1.464 -5.176 -7.817 1.00 0.00 C ATOM 929 O VAL A 60 -2.462 -4.691 -8.350 1.00 0.00 O ATOM 930 CB VAL A 60 -2.144 -4.589 -5.488 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.909 -5.903 -5.483 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.652 -4.243 -4.091 1.00 0.00 C ATOM 0 H VAL A 60 -0.883 -2.568 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.209 -5.339 -6.081 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.824 -3.802 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.740 -5.837 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.294 -6.104 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.242 -6.711 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.500 -4.200 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.951 -5.006 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.152 -3.275 -4.111 1.00 0.00 H new ATOM 942 N LYS A 61 -0.765 -6.167 -8.360 1.00 0.00 N ATOM 943 CA LYS A 61 -1.139 -6.756 -9.640 1.00 0.00 C ATOM 944 C LYS A 61 -1.776 -8.127 -9.443 1.00 0.00 C ATOM 945 O LYS A 61 -1.099 -9.155 -9.417 1.00 0.00 O ATOM 946 CB LYS A 61 0.088 -6.878 -10.547 1.00 0.00 C ATOM 947 CG LYS A 61 0.799 -5.557 -10.789 1.00 0.00 C ATOM 948 CD LYS A 61 -0.066 -4.597 -11.588 1.00 0.00 C ATOM 949 CE LYS A 61 0.781 -3.626 -12.397 1.00 0.00 C ATOM 950 NZ LYS A 61 -0.058 -2.702 -13.209 1.00 0.00 N ATOM 0 H LYS A 61 0.064 -6.579 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.870 -6.100 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.790 -7.583 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.219 -7.297 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.061 -5.103 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.732 -5.737 -11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.715 -5.161 -12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.714 -4.040 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.412 -3.046 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.446 -4.185 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.556 -2.056 -13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.642 -3.253 -13.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.675 -2.150 -12.580 1.00 0.00 H new ATOM 964 N PRO A 62 -3.110 -8.146 -9.301 1.00 0.00 N ATOM 965 CA PRO A 62 -3.868 -9.385 -9.105 1.00 0.00 C ATOM 966 C PRO A 62 -3.891 -10.254 -10.358 1.00 0.00 C ATOM 967 O PRO A 62 -4.327 -9.815 -11.421 1.00 0.00 O ATOM 968 CB PRO A 62 -5.278 -8.890 -8.772 1.00 0.00 C ATOM 969 CG PRO A 62 -5.364 -7.542 -9.400 1.00 0.00 C ATOM 970 CD PRO A 62 -3.981 -6.958 -9.321 1.00 0.00 C ATOM 0 HA PRO A 62 -3.428 -10.014 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.038 -9.562 -9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.434 -8.836 -7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.698 -7.615 -10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.084 -6.913 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.766 -6.316 -10.176 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.852 -6.350 -8.426 1.00 0.00 H new ATOM 978 N ASN A 63 -3.419 -11.489 -10.224 1.00 0.00 N ATOM 979 CA ASN A 63 -3.386 -12.420 -11.346 1.00 0.00 C ATOM 980 C ASN A 63 -4.795 -12.719 -11.848 1.00 0.00 C ATOM 981 O ASN A 63 -5.748 -12.751 -11.070 1.00 0.00 O ATOM 982 CB ASN A 63 -2.692 -13.721 -10.936 1.00 0.00 C ATOM 983 CG ASN A 63 -1.181 -13.620 -11.013 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.572 -14.005 -12.011 1.00 0.00 O ATOM 985 ND2 ASN A 63 -0.569 -13.100 -9.955 1.00 0.00 N ATOM 0 H ASN A 63 -3.054 -11.868 -9.350 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.823 -11.954 -12.155 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.985 -13.980 -9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.033 -14.530 -11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.447 -13.007 -9.948 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.115 -12.794 -9.149 1.00 0.00 H new ATOM 992 N ALA A 64 -4.919 -12.936 -13.153 1.00 0.00 N ATOM 993 CA ALA A 64 -6.211 -13.234 -13.758 1.00 0.00 C ATOM 994 C ALA A 64 -6.332 -14.717 -14.092 1.00 0.00 C ATOM 995 O ALA A 64 -7.279 -15.381 -13.673 1.00 0.00 O ATOM 996 CB ALA A 64 -6.416 -12.391 -15.008 1.00 0.00 C ATOM 0 H ALA A 64 -4.140 -12.911 -13.812 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.988 -12.987 -13.035 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.385 -12.624 -15.449 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.383 -11.334 -14.744 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.627 -12.610 -15.728 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.367 -15.229 -14.849 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.367 -16.634 -15.240 1.00 0.00 C ATOM 1004 C GLU A 65 -5.714 -17.528 -14.054 1.00 0.00 C ATOM 1005 O GLU A 65 -6.515 -18.456 -14.176 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.002 -17.028 -15.808 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.667 -16.340 -17.121 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.223 -16.547 -17.536 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -1.330 -16.389 -16.678 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -1.988 -16.867 -18.720 1.00 0.00 O ATOM 0 H GLU A 65 -4.575 -14.692 -15.204 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.126 -16.771 -16.010 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.231 -16.790 -15.076 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.978 -18.108 -15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.324 -16.719 -17.904 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.865 -15.272 -17.028 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.106 -17.244 -12.908 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.350 -18.022 -11.699 1.00 0.00 C ATOM 1019 C ASP A 66 -5.796 -17.119 -10.553 1.00 0.00 C ATOM 1020 O ASP A 66 -5.502 -15.923 -10.540 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.091 -18.791 -11.298 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.860 -20.014 -12.164 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -3.509 -19.845 -13.350 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -4.030 -21.142 -11.654 1.00 0.00 O ATOM 0 H ASP A 66 -4.440 -16.480 -12.791 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.148 -18.733 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.227 -18.130 -11.369 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.173 -19.098 -10.255 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.507 -17.698 -9.592 1.00 0.00 N ATOM 1030 CA LYS A 67 -6.994 -16.947 -8.441 1.00 0.00 C ATOM 1031 C LYS A 67 -6.052 -17.104 -7.251 1.00 0.00 C ATOM 1032 O LYS A 67 -5.022 -17.771 -7.346 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.399 -17.416 -8.057 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.412 -17.288 -9.182 1.00 0.00 C ATOM 1035 CD LYS A 67 -9.936 -15.866 -9.300 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.009 -15.755 -10.372 1.00 0.00 C ATOM 1037 NZ LYS A 67 -12.365 -16.047 -9.832 1.00 0.00 N ATOM 0 H LYS A 67 -6.759 -18.686 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.032 -15.893 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.351 -18.458 -7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.745 -16.837 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.951 -17.587 -10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.244 -17.970 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.344 -15.547 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.113 -15.192 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.996 -14.751 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.785 -16.447 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.068 -15.961 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.386 -17.014 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.590 -15.371 -9.075 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.412 -16.486 -6.132 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.601 -16.558 -4.922 1.00 0.00 C ATOM 1053 C LYS A 68 -4.135 -16.275 -5.233 1.00 0.00 C ATOM 1054 O LYS A 68 -3.239 -16.891 -4.657 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.739 -17.937 -4.273 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.981 -18.081 -3.410 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.079 -19.470 -2.802 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.611 -20.481 -3.807 1.00 0.00 C ATOM 1059 NZ LYS A 68 -9.054 -20.263 -4.103 1.00 0.00 N ATOM 0 H LYS A 68 -7.261 -15.929 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.960 -15.799 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.759 -18.697 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.858 -18.132 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.961 -17.335 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.868 -17.883 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.096 -19.786 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.734 -19.442 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.036 -20.412 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.468 -21.489 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.559 -21.171 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.457 -19.607 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.156 -19.858 -5.055 1.00 0.00 H new ATOM 1073 N SER A 69 -3.898 -15.338 -6.146 1.00 0.00 N ATOM 1074 CA SER A 69 -2.540 -14.975 -6.534 1.00 0.00 C ATOM 1075 C SER A 69 -2.459 -13.498 -6.908 1.00 0.00 C ATOM 1076 O SER A 69 -3.342 -12.967 -7.582 1.00 0.00 O ATOM 1077 CB SER A 69 -2.076 -15.837 -7.709 1.00 0.00 C ATOM 1078 OG SER A 69 -2.092 -17.213 -7.370 1.00 0.00 O ATOM 0 H SER A 69 -4.629 -14.817 -6.631 1.00 0.00 H new ATOM 0 HA SER A 69 -1.884 -15.152 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.723 -15.664 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.068 -15.544 -8.004 1.00 0.00 H new ATOM 0 HG SER A 69 -3.018 -17.532 -7.342 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.392 -12.840 -6.466 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.194 -11.424 -6.753 1.00 0.00 C ATOM 1086 C PHE A 70 0.285 -11.058 -6.688 1.00 0.00 C ATOM 1087 O PHE A 70 1.006 -11.497 -5.792 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.988 -10.566 -5.765 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.365 -10.494 -4.400 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.621 -11.474 -3.455 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.525 -9.445 -4.062 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -1.050 -11.410 -2.198 1.00 0.00 C ATOM 1093 CE2 PHE A 70 0.050 -9.377 -2.807 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.214 -10.360 -1.873 1.00 0.00 C ATOM 0 H PHE A 70 -0.651 -13.265 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.554 -11.229 -7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.083 -9.557 -6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.997 -10.969 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.274 -12.297 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.317 -8.672 -4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.257 -12.181 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.705 -8.556 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.232 -10.307 -0.891 1.00 0.00 H new ATOM 1104 N ASP A 71 0.731 -10.251 -7.645 1.00 0.00 N ATOM 1105 CA ASP A 71 2.125 -9.825 -7.697 1.00 0.00 C ATOM 1106 C ASP A 71 2.286 -8.421 -7.122 1.00 0.00 C ATOM 1107 O ASP A 71 1.589 -7.489 -7.526 1.00 0.00 O ATOM 1108 CB ASP A 71 2.637 -9.860 -9.138 1.00 0.00 C ATOM 1109 CG ASP A 71 2.588 -11.252 -9.736 1.00 0.00 C ATOM 1110 OD1 ASP A 71 3.474 -12.069 -9.411 1.00 0.00 O ATOM 1111 OD2 ASP A 71 1.663 -11.525 -10.530 1.00 0.00 O ATOM 0 H ASP A 71 0.148 -9.879 -8.395 1.00 0.00 H new ATOM 0 HA ASP A 71 2.713 -10.516 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.039 -9.184 -9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.663 -9.492 -9.165 1.00 0.00 H new ATOM 1116 N LEU A 72 3.206 -8.277 -6.175 1.00 0.00 N ATOM 1117 CA LEU A 72 3.458 -6.987 -5.542 1.00 0.00 C ATOM 1118 C LEU A 72 4.700 -6.325 -6.131 1.00 0.00 C ATOM 1119 O LEU A 72 5.816 -6.821 -5.968 1.00 0.00 O ATOM 1120 CB LEU A 72 3.627 -7.162 -4.032 1.00 0.00 C ATOM 1121 CG LEU A 72 3.335 -5.929 -3.177 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.877 -5.517 -3.314 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.680 -6.197 -1.719 1.00 0.00 C ATOM 0 H LEU A 72 3.790 -9.038 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 72 2.600 -6.342 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.973 -7.970 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.650 -7.482 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 72 3.958 -5.108 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.688 -4.638 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.661 -5.283 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.235 -6.335 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.466 -5.308 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.083 -7.032 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.739 -6.443 -1.635 1.00 0.00 H new ATOM 1135 N ILE A 73 4.499 -5.203 -6.813 1.00 0.00 N ATOM 1136 CA ILE A 73 5.603 -4.472 -7.422 1.00 0.00 C ATOM 1137 C ILE A 73 6.043 -3.307 -6.542 1.00 0.00 C ATOM 1138 O ILE A 73 5.269 -2.386 -6.280 1.00 0.00 O ATOM 1139 CB ILE A 73 5.222 -3.933 -8.814 1.00 0.00 C ATOM 1140 CG1 ILE A 73 4.859 -5.088 -9.749 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.363 -3.112 -9.395 1.00 0.00 C ATOM 1142 CD1 ILE A 73 3.837 -4.716 -10.801 1.00 0.00 C ATOM 0 H ILE A 73 3.582 -4.780 -6.958 1.00 0.00 H new ATOM 0 HA ILE A 73 6.428 -5.177 -7.527 1.00 0.00 H new ATOM 0 HB ILE A 73 4.351 -3.286 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.764 -5.443 -10.243 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.473 -5.917 -9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.078 -2.738 -10.379 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.579 -2.271 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.251 -3.737 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.628 -5.583 -11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.918 -4.389 -10.315 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.228 -3.908 -11.419 1.00 0.00 H new ATOM 1154 N SER A 74 7.292 -3.352 -6.090 1.00 0.00 N ATOM 1155 CA SER A 74 7.835 -2.302 -5.237 1.00 0.00 C ATOM 1156 C SER A 74 8.480 -1.201 -6.075 1.00 0.00 C ATOM 1157 O SER A 74 8.441 -1.239 -7.305 1.00 0.00 O ATOM 1158 CB SER A 74 8.862 -2.885 -4.264 1.00 0.00 C ATOM 1159 OG SER A 74 9.069 -2.019 -3.162 1.00 0.00 O ATOM 0 H SER A 74 7.947 -4.105 -6.301 1.00 0.00 H new ATOM 0 HA SER A 74 7.012 -1.868 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.519 -3.857 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.806 -3.051 -4.783 1.00 0.00 H new ATOM 0 HG SER A 74 9.728 -2.415 -2.554 1.00 0.00 H new ATOM 1165 N HIS A 75 9.072 -0.222 -5.399 1.00 0.00 N ATOM 1166 CA HIS A 75 9.726 0.890 -6.080 1.00 0.00 C ATOM 1167 C HIS A 75 10.550 0.393 -7.264 1.00 0.00 C ATOM 1168 O HIS A 75 10.229 0.676 -8.418 1.00 0.00 O ATOM 1169 CB HIS A 75 10.622 1.656 -5.106 1.00 0.00 C ATOM 1170 CG HIS A 75 10.868 3.077 -5.511 1.00 0.00 C ATOM 1171 ND1 HIS A 75 10.779 4.136 -4.632 1.00 0.00 N ATOM 1172 CD2 HIS A 75 11.205 3.611 -6.708 1.00 0.00 C ATOM 1173 CE1 HIS A 75 11.048 5.260 -5.272 1.00 0.00 C ATOM 1174 NE2 HIS A 75 11.311 4.969 -6.533 1.00 0.00 N ATOM 0 H HIS A 75 9.112 -0.176 -4.381 1.00 0.00 H new ATOM 0 HA HIS A 75 8.952 1.560 -6.454 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.164 1.643 -4.117 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.578 1.140 -5.022 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.361 3.070 -7.629 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.052 6.249 -4.838 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.553 5.643 -7.259 1.00 0.00 H new ATOM 1183 N ASN A 76 11.613 -0.347 -6.969 1.00 0.00 N ATOM 1184 CA ASN A 76 12.484 -0.882 -8.010 1.00 0.00 C ATOM 1185 C ASN A 76 12.771 -2.362 -7.771 1.00 0.00 C ATOM 1186 O ASN A 76 13.914 -2.807 -7.876 1.00 0.00 O ATOM 1187 CB ASN A 76 13.797 -0.098 -8.059 1.00 0.00 C ATOM 1188 CG ASN A 76 13.585 1.362 -8.410 1.00 0.00 C ATOM 1189 OD1 ASN A 76 12.703 1.701 -9.198 1.00 0.00 O ATOM 1190 ND2 ASN A 76 14.397 2.235 -7.824 1.00 0.00 N ATOM 0 H ASN A 76 11.893 -0.590 -6.019 1.00 0.00 H new ATOM 0 HA ASN A 76 11.971 -0.779 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.295 -0.168 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.462 -0.553 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.303 3.231 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.115 1.909 -7.177 1.00 0.00 H new ATOM 1197 N ARG A 77 11.726 -3.118 -7.452 1.00 0.00 N ATOM 1198 CA ARG A 77 11.865 -4.547 -7.198 1.00 0.00 C ATOM 1199 C ARG A 77 10.511 -5.245 -7.265 1.00 0.00 C ATOM 1200 O ARG A 77 9.536 -4.794 -6.662 1.00 0.00 O ATOM 1201 CB ARG A 77 12.506 -4.783 -5.829 1.00 0.00 C ATOM 1202 CG ARG A 77 12.511 -6.242 -5.403 1.00 0.00 C ATOM 1203 CD ARG A 77 13.744 -6.968 -5.917 1.00 0.00 C ATOM 1204 NE ARG A 77 14.980 -6.362 -5.428 1.00 0.00 N ATOM 1205 CZ ARG A 77 16.191 -6.764 -5.797 1.00 0.00 C ATOM 1206 NH1 ARG A 77 16.329 -7.765 -6.655 1.00 0.00 N ATOM 1207 NH2 ARG A 77 17.268 -6.162 -5.308 1.00 0.00 N ATOM 0 H ARG A 77 10.773 -2.765 -7.363 1.00 0.00 H new ATOM 0 HA ARG A 77 12.509 -4.967 -7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.532 -4.416 -5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.972 -4.197 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.478 -6.305 -4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 77 11.614 -6.735 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.705 -8.012 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.742 -6.959 -7.007 1.00 0.00 H new ATOM 0 HE ARG A 77 14.909 -5.588 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.504 -8.229 -7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.261 -8.071 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.166 -5.390 -4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.198 -6.471 -5.591 1.00 0.00 H new ATOM 1221 N THR A 78 10.456 -6.351 -8.002 1.00 0.00 N ATOM 1222 CA THR A 78 9.222 -7.111 -8.149 1.00 0.00 C ATOM 1223 C THR A 78 9.153 -8.249 -7.137 1.00 0.00 C ATOM 1224 O THR A 78 10.162 -8.886 -6.835 1.00 0.00 O ATOM 1225 CB THR A 78 9.086 -7.693 -9.569 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.565 -6.749 -10.533 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.639 -8.047 -9.873 1.00 0.00 C ATOM 0 H THR A 78 11.253 -6.740 -8.506 1.00 0.00 H new ATOM 0 HA THR A 78 8.401 -6.418 -7.968 1.00 0.00 H new ATOM 0 HB THR A 78 9.684 -8.603 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.477 -7.127 -11.433 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.568 -8.456 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.287 -8.788 -9.155 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.022 -7.151 -9.801 1.00 0.00 H new ATOM 1235 N TYR A 79 7.956 -8.500 -6.617 1.00 0.00 N ATOM 1236 CA TYR A 79 7.756 -9.560 -5.637 1.00 0.00 C ATOM 1237 C TYR A 79 6.628 -10.493 -6.066 1.00 0.00 C ATOM 1238 O TYR A 79 5.852 -10.174 -6.968 1.00 0.00 O ATOM 1239 CB TYR A 79 7.445 -8.963 -4.264 1.00 0.00 C ATOM 1240 CG TYR A 79 8.584 -8.156 -3.682 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.045 -7.010 -4.318 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.199 -8.541 -2.497 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.086 -6.271 -3.790 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.240 -7.807 -1.961 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.680 -6.673 -2.612 1.00 0.00 C ATOM 1246 OH TYR A 79 11.717 -5.940 -2.082 1.00 0.00 O ATOM 0 H TYR A 79 7.110 -7.984 -6.858 1.00 0.00 H new ATOM 0 HA TYR A 79 8.677 -10.139 -5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.564 -8.326 -4.345 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.193 -9.769 -3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.582 -6.692 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.858 -9.429 -1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.433 -5.383 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.706 -8.119 -1.038 1.00 0.00 H new ATOM 0 HH TYR A 79 12.022 -6.358 -1.250 1.00 0.00 H new ATOM 1256 N HIS A 80 6.541 -11.647 -5.412 1.00 0.00 N ATOM 1257 CA HIS A 80 5.506 -12.627 -5.723 1.00 0.00 C ATOM 1258 C HIS A 80 4.815 -13.110 -4.452 1.00 0.00 C ATOM 1259 O HIS A 80 5.446 -13.705 -3.578 1.00 0.00 O ATOM 1260 CB HIS A 80 6.109 -13.815 -6.473 1.00 0.00 C ATOM 1261 CG HIS A 80 7.061 -13.417 -7.559 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.647 -12.985 -8.802 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.414 -13.387 -7.583 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.705 -12.708 -9.543 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.789 -12.943 -8.827 1.00 0.00 N ATOM 0 H HIS A 80 7.175 -11.927 -4.663 1.00 0.00 H new ATOM 0 HA HIS A 80 4.763 -12.145 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.629 -14.457 -5.762 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.303 -14.407 -6.907 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.676 -12.894 -9.102 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.075 -13.661 -6.774 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.686 -12.350 -10.562 1.00 0.00 H new ATOM 1274 N PHE A 81 3.516 -12.849 -4.355 1.00 0.00 N ATOM 1275 CA PHE A 81 2.739 -13.256 -3.190 1.00 0.00 C ATOM 1276 C PHE A 81 1.680 -14.285 -3.574 1.00 0.00 C ATOM 1277 O PHE A 81 1.477 -14.570 -4.754 1.00 0.00 O ATOM 1278 CB PHE A 81 2.073 -12.039 -2.545 1.00 0.00 C ATOM 1279 CG PHE A 81 3.046 -11.093 -1.902 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.920 -10.346 -2.676 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.088 -10.951 -0.524 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.817 -9.474 -2.087 1.00 0.00 C ATOM 1283 CE2 PHE A 81 3.983 -10.081 0.069 1.00 0.00 C ATOM 1284 CZ PHE A 81 4.849 -9.342 -0.713 1.00 0.00 C ATOM 0 H PHE A 81 2.979 -12.357 -5.069 1.00 0.00 H new ATOM 0 HA PHE A 81 3.420 -13.713 -2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.504 -11.502 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.360 -12.380 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.900 -10.446 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.414 -11.527 0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.492 -8.897 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.005 -9.979 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.550 -8.662 -0.251 1.00 0.00 H new ATOM 1294 N GLN A 82 1.009 -14.839 -2.569 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.027 -15.837 -2.802 1.00 0.00 C ATOM 1296 C GLN A 82 -0.880 -16.037 -1.554 1.00 0.00 C ATOM 1297 O GLN A 82 -0.365 -16.075 -0.437 1.00 0.00 O ATOM 1298 CB GLN A 82 0.601 -17.167 -3.223 1.00 0.00 C ATOM 1299 CG GLN A 82 0.776 -17.308 -4.726 1.00 0.00 C ATOM 1300 CD GLN A 82 0.785 -18.755 -5.180 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.062 -19.176 -5.968 1.00 0.00 O ATOM 1302 NE2 GLN A 82 1.746 -19.525 -4.683 1.00 0.00 N ATOM 0 H GLN A 82 1.165 -14.613 -1.586 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.669 -15.476 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.573 -17.269 -2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.022 -17.984 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.030 -16.777 -5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.709 -16.832 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.427 -19.134 -4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.803 -20.507 -4.952 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.189 -16.163 -1.751 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.113 -16.361 -0.641 1.00 0.00 C ATOM 1313 C ALA A 83 -3.440 -17.839 -0.456 1.00 0.00 C ATOM 1314 O ALA A 83 -3.277 -18.639 -1.376 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.387 -15.560 -0.867 1.00 0.00 C ATOM 0 H ALA A 83 -2.633 -16.131 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.631 -16.006 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.068 -15.717 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.142 -14.500 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.864 -15.888 -1.790 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.902 -18.192 0.739 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.251 -19.575 1.045 1.00 0.00 C ATOM 1323 C GLU A 84 -5.730 -19.835 0.775 1.00 0.00 C ATOM 1324 O GLU A 84 -6.089 -20.806 0.108 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.923 -19.897 2.504 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.481 -19.604 2.882 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.278 -18.174 3.346 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -3.255 -17.563 3.828 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.143 -17.667 3.227 1.00 0.00 O ATOM 0 H GLU A 84 -4.043 -17.540 1.511 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.661 -20.223 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.584 -19.321 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.132 -20.950 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.171 -20.286 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.838 -19.798 2.024 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.583 -18.962 1.299 1.00 0.00 N ATOM 1337 CA ASP A 85 -8.024 -19.096 1.115 1.00 0.00 C ATOM 1338 C ASP A 85 -8.554 -18.020 0.172 1.00 0.00 C ATOM 1339 O ASP A 85 -8.069 -16.889 0.172 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.742 -19.010 2.463 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.425 -20.187 3.364 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -7.407 -20.126 4.084 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -9.195 -21.171 3.348 1.00 0.00 O ATOM 0 H ASP A 85 -6.302 -18.154 1.855 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.220 -20.072 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.457 -18.085 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.818 -18.964 2.296 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.551 -18.382 -0.630 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.144 -17.447 -1.578 1.00 0.00 C ATOM 1350 C GLU A 86 -10.533 -16.143 -0.887 1.00 0.00 C ATOM 1351 O GLU A 86 -10.281 -15.056 -1.404 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.374 -18.071 -2.242 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.637 -17.553 -3.646 1.00 0.00 C ATOM 1354 CD GLU A 86 -12.962 -18.032 -4.206 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.245 -19.244 -4.105 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.715 -17.195 -4.745 1.00 0.00 O ATOM 0 H GLU A 86 -9.964 -19.315 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.400 -17.225 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.246 -19.153 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.249 -17.876 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.624 -16.463 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.831 -17.875 -4.305 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.149 -16.263 0.285 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.573 -15.094 1.047 1.00 0.00 C ATOM 1365 C GLN A 87 -10.379 -14.218 1.411 1.00 0.00 C ATOM 1366 O GLN A 87 -10.414 -13.000 1.234 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.309 -15.527 2.317 1.00 0.00 C ATOM 1368 CG GLN A 87 -11.398 -15.688 3.523 1.00 0.00 C ATOM 1369 CD GLN A 87 -12.164 -15.974 4.799 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -13.205 -16.632 4.778 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -11.652 -15.481 5.921 1.00 0.00 N ATOM 0 H GLN A 87 -11.365 -17.156 0.727 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.250 -14.511 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.079 -14.791 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.818 -16.472 2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.695 -16.500 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.810 -14.780 3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.787 -14.941 5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.124 -15.642 6.811 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.325 -14.845 1.919 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.119 -14.123 2.307 1.00 0.00 C ATOM 1382 C ASP A 88 -7.606 -13.263 1.156 1.00 0.00 C ATOM 1383 O ASP A 88 -7.277 -12.091 1.342 1.00 0.00 O ATOM 1384 CB ASP A 88 -7.032 -15.103 2.751 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.060 -14.483 3.737 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.483 -13.597 4.508 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.877 -14.883 3.736 1.00 0.00 O ATOM 0 H ASP A 88 -9.281 -15.852 2.072 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.370 -13.469 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.499 -15.977 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.484 -15.453 1.877 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.541 -13.853 -0.032 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.065 -13.142 -1.213 1.00 0.00 C ATOM 1394 C TYR A 89 -7.945 -11.932 -1.512 1.00 0.00 C ATOM 1395 O TYR A 89 -7.473 -10.795 -1.529 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.039 -14.078 -2.422 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.999 -13.354 -3.748 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.829 -12.754 -4.199 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.130 -13.268 -4.550 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.788 -12.090 -5.410 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.097 -12.608 -5.763 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.924 -12.021 -6.189 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.888 -11.361 -7.396 1.00 0.00 O ATOM 0 H TYR A 89 -7.812 -14.821 -0.203 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.053 -12.792 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.169 -14.730 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.920 -14.719 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.937 -12.808 -3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.051 -13.725 -4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.871 -11.627 -5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.985 -12.552 -6.375 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.770 -11.406 -7.820 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.229 -12.186 -1.746 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.177 -11.119 -2.043 1.00 0.00 C ATOM 1415 C VAL A 90 -10.035 -9.967 -1.055 1.00 0.00 C ATOM 1416 O VAL A 90 -9.998 -8.801 -1.446 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.629 -11.633 -2.010 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.597 -10.523 -2.389 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.790 -12.831 -2.933 1.00 0.00 C ATOM 0 H VAL A 90 -9.636 -13.121 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.948 -10.763 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.861 -11.952 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.618 -10.905 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.498 -9.698 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.370 -10.170 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.821 -13.182 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.540 -12.540 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.124 -13.631 -2.610 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.955 -10.302 0.229 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.814 -9.295 1.274 1.00 0.00 C ATOM 1431 C ALA A 91 -8.475 -8.573 1.164 1.00 0.00 C ATOM 1432 O ALA A 91 -8.428 -7.352 1.019 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.959 -9.936 2.646 1.00 0.00 C ATOM 0 H ALA A 91 -9.985 -11.263 0.570 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.606 -8.558 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.852 -9.173 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.942 -10.400 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.188 -10.695 2.776 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.390 -9.336 1.234 1.00 0.00 N ATOM 1440 CA TRP A 92 -6.050 -8.768 1.143 1.00 0.00 C ATOM 1441 C TRP A 92 -5.984 -7.699 0.057 1.00 0.00 C ATOM 1442 O TRP A 92 -5.604 -6.558 0.319 1.00 0.00 O ATOM 1443 CB TRP A 92 -5.026 -9.867 0.856 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.454 -10.484 2.097 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.530 -11.795 2.470 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.720 -9.813 3.127 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.888 -11.980 3.671 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.382 -10.780 4.094 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.314 -8.491 3.326 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.658 -10.464 5.241 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.597 -8.179 4.465 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -2.274 -9.162 5.410 1.00 0.00 C ATOM 0 H TRP A 92 -7.412 -10.349 1.353 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.814 -8.302 2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.497 -10.645 0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.215 -9.451 0.258 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -5.022 -12.572 1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.802 -12.867 4.167 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.556 -7.727 2.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.409 -11.220 5.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.280 -7.160 4.630 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.711 -8.886 6.289 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.357 -8.076 -1.161 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.341 -7.149 -2.286 1.00 0.00 C ATOM 1465 C ILE A 93 -7.076 -5.858 -1.944 1.00 0.00 C ATOM 1466 O ILE A 93 -6.561 -4.761 -2.163 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.980 -7.774 -3.540 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.184 -9.001 -3.988 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.059 -6.748 -4.661 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.854 -8.660 -4.622 1.00 0.00 C ATOM 0 H ILE A 93 -6.674 -9.017 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.295 -6.925 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.993 -8.093 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.012 -9.647 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.781 -9.571 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.513 -7.204 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.665 -5.902 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.056 -6.402 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.345 -9.578 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.019 -8.040 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.238 -8.116 -3.906 1.00 0.00 H new ATOM 1482 N SER A 94 -8.283 -5.995 -1.403 1.00 0.00 N ATOM 1483 CA SER A 94 -9.091 -4.839 -1.032 1.00 0.00 C ATOM 1484 C SER A 94 -8.324 -3.922 -0.084 1.00 0.00 C ATOM 1485 O SER A 94 -8.381 -2.698 -0.204 1.00 0.00 O ATOM 1486 CB SER A 94 -10.396 -5.293 -0.376 1.00 0.00 C ATOM 1487 OG SER A 94 -11.423 -4.335 -0.568 1.00 0.00 O ATOM 0 H SER A 94 -8.723 -6.895 -1.212 1.00 0.00 H new ATOM 0 HA SER A 94 -9.323 -4.282 -1.940 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.704 -6.250 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.235 -5.450 0.691 1.00 0.00 H new ATOM 0 HG SER A 94 -12.193 -4.563 -0.006 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.605 -4.524 0.859 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.825 -3.763 1.827 1.00 0.00 C ATOM 1495 C VAL A 95 -5.609 -3.120 1.170 1.00 0.00 C ATOM 1496 O VAL A 95 -5.554 -1.901 1.000 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.354 -4.654 2.992 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.267 -3.848 4.279 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.284 -5.845 3.161 1.00 0.00 C ATOM 0 H VAL A 95 -7.547 -5.536 0.973 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.479 -2.983 2.217 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.358 -5.030 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.933 -4.494 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.557 -3.031 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.249 -3.441 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.936 -6.464 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.293 -5.491 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.290 -6.435 2.244 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.636 -3.946 0.802 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.420 -3.458 0.162 1.00 0.00 C ATOM 1511 C LEU A 96 -3.716 -2.249 -0.721 1.00 0.00 C ATOM 1512 O LEU A 96 -3.055 -1.215 -0.619 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.778 -4.568 -0.673 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.456 -5.865 0.070 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.422 -7.039 -0.896 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.131 -5.741 0.809 1.00 0.00 C ATOM 0 H LEU A 96 -4.666 -4.957 0.936 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.726 -3.152 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.445 -4.804 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.855 -4.182 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.242 -6.047 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.191 -7.953 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.394 -7.141 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.657 -6.866 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.918 -6.673 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.334 -5.535 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.191 -4.926 1.530 1.00 0.00 H new ATOM 1528 N THR A 97 -4.716 -2.386 -1.586 1.00 0.00 N ATOM 1529 CA THR A 97 -5.100 -1.305 -2.486 1.00 0.00 C ATOM 1530 C THR A 97 -5.727 -0.147 -1.718 1.00 0.00 C ATOM 1531 O THR A 97 -5.423 1.017 -1.975 1.00 0.00 O ATOM 1532 CB THR A 97 -6.094 -1.793 -3.557 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.693 -3.077 -4.049 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.174 -0.805 -4.711 1.00 0.00 C ATOM 0 H THR A 97 -5.274 -3.234 -1.682 1.00 0.00 H new ATOM 0 HA THR A 97 -4.188 -0.962 -2.975 1.00 0.00 H new ATOM 0 HB THR A 97 -7.079 -1.872 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.011 -3.775 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.882 -1.171 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.507 0.164 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.190 -0.699 -5.168 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.603 -0.475 -0.773 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.272 0.540 0.033 1.00 0.00 C ATOM 1544 C ASN A 98 -6.256 1.422 0.752 1.00 0.00 C ATOM 1545 O ASN A 98 -6.121 2.607 0.447 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.202 -0.122 1.053 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.546 -0.492 0.455 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.945 0.041 -0.581 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.251 -1.408 1.108 1.00 0.00 N ATOM 0 H ASN A 98 -6.866 -1.434 -0.547 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.862 1.168 -0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.724 -1.018 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.355 0.555 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.163 -1.697 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.880 -1.823 1.963 1.00 0.00 H new ATOM 1556 N SER A 99 -5.542 0.835 1.707 1.00 0.00 N ATOM 1557 CA SER A 99 -4.540 1.568 2.472 1.00 0.00 C ATOM 1558 C SER A 99 -3.822 2.586 1.591 1.00 0.00 C ATOM 1559 O SER A 99 -3.507 3.692 2.031 1.00 0.00 O ATOM 1560 CB SER A 99 -3.525 0.599 3.082 1.00 0.00 C ATOM 1561 OG SER A 99 -2.997 1.110 4.294 1.00 0.00 O ATOM 0 H SER A 99 -5.639 -0.146 1.969 1.00 0.00 H new ATOM 0 HA SER A 99 -5.049 2.102 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.002 -0.364 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.715 0.423 2.374 1.00 0.00 H new ATOM 0 HG SER A 99 -2.616 0.376 4.820 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.567 2.205 0.344 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.888 3.083 -0.601 1.00 0.00 C ATOM 1569 C LYS A 100 -3.690 4.360 -0.830 1.00 0.00 C ATOM 1570 O LYS A 100 -3.234 5.456 -0.504 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.668 2.361 -1.933 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.772 3.120 -2.896 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.565 2.351 -4.189 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.256 2.734 -4.863 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.417 3.914 -5.757 1.00 0.00 N ATOM 0 H LYS A 100 -3.821 1.293 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.921 3.353 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.230 1.382 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.634 2.189 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.214 4.092 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.807 3.308 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.569 1.281 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.396 2.547 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.493 2.954 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.116 1.888 -5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.520 4.258 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.964 3.640 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.919 4.669 -5.248 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.886 4.211 -1.390 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.751 5.353 -1.661 1.00 0.00 C ATOM 1591 C GLU A 101 -6.069 6.111 -0.375 1.00 0.00 C ATOM 1592 O GLU A 101 -6.186 7.336 -0.378 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.048 4.893 -2.328 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.829 4.157 -3.640 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.729 5.097 -4.826 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -7.740 5.754 -5.150 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -5.638 5.175 -5.429 1.00 0.00 O ATOM 0 H GLU A 101 -5.278 3.310 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.222 6.024 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.589 4.242 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.681 5.761 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.916 3.565 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.650 3.459 -3.802 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.208 5.373 0.722 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.514 5.975 2.014 1.00 0.00 C ATOM 1606 C GLU A 102 -5.303 6.721 2.567 1.00 0.00 C ATOM 1607 O GLU A 102 -5.441 7.623 3.393 1.00 0.00 O ATOM 1608 CB GLU A 102 -6.963 4.902 3.008 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.316 4.295 2.677 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.453 5.287 2.824 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.664 5.784 3.950 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.131 5.567 1.813 1.00 0.00 O ATOM 0 H GLU A 102 -6.114 4.358 0.742 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.325 6.689 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.216 4.109 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.004 5.338 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.300 3.916 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.497 3.442 3.331 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.117 6.337 2.106 1.00 0.00 N ATOM 1620 CA ALA A 103 -2.883 6.969 2.552 1.00 0.00 C ATOM 1621 C ALA A 103 -2.464 8.088 1.603 1.00 0.00 C ATOM 1622 O ALA A 103 -1.680 8.964 1.968 1.00 0.00 O ATOM 1623 CB ALA A 103 -1.773 5.935 2.674 1.00 0.00 C ATOM 0 H ALA A 103 -3.986 5.591 1.423 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.064 7.409 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.857 6.422 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.063 5.173 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.602 5.468 1.704 1.00 0.00 H new ATOM 1629 N LEU A 104 -2.991 8.051 0.385 1.00 0.00 N ATOM 1630 CA LEU A 104 -2.672 9.061 -0.618 1.00 0.00 C ATOM 1631 C LEU A 104 -3.679 10.207 -0.577 1.00 0.00 C ATOM 1632 O LEU A 104 -3.302 11.379 -0.553 1.00 0.00 O ATOM 1633 CB LEU A 104 -2.651 8.435 -2.013 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.376 7.681 -2.392 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.575 6.913 -3.689 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.204 8.644 -2.514 1.00 0.00 C ATOM 0 H LEU A 104 -3.641 7.332 0.067 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.684 9.462 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.493 7.748 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.813 9.225 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.152 6.965 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.657 6.383 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.386 6.196 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.825 7.609 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.695 8.090 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.420 9.384 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.047 9.148 -1.561 1.00 0.00 H new ATOM 1648 N THR A 105 -4.962 9.860 -0.566 1.00 0.00 N ATOM 1649 CA THR A 105 -6.023 10.858 -0.527 1.00 0.00 C ATOM 1650 C THR A 105 -5.642 12.031 0.368 1.00 0.00 C ATOM 1651 O THR A 105 -6.101 13.154 0.164 1.00 0.00 O ATOM 1652 CB THR A 105 -7.346 10.251 -0.022 1.00 0.00 C ATOM 1653 OG1 THR A 105 -8.361 11.261 0.027 1.00 0.00 O ATOM 1654 CG2 THR A 105 -7.168 9.636 1.358 1.00 0.00 C ATOM 0 H THR A 105 -5.291 8.895 -0.584 1.00 0.00 H new ATOM 0 HA THR A 105 -6.160 11.213 -1.548 1.00 0.00 H new ATOM 0 HB THR A 105 -7.648 9.466 -0.715 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.199 10.867 0.347 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.115 9.214 1.693 1.00 0.00 H new ATOM 0 HG22 THR A 105 -6.416 8.848 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 105 -6.845 10.405 2.060 1.00 0.00 H new