USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 849 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 Single : A 1 GLY N :NH3+ -116:sc= 0.0877 (180deg=0) USER MOD Single : A 2 SER OG : rot 65:sc= 1.21 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.03 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0379 K(o=-0.038,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 0.384 (180deg=0.32) USER MOD Single : A 21 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 30:sc= 0.0161 USER MOD Single : A 31 ASN : amide:sc= -2.82 K(o=-2.8,f=-6.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) USER MOD Single : A 40 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.5) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -6.55! C(o=-7.4!,f=-6.6!) USER MOD Single : A 56 SER OG : rot 144:sc= 0.726 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.63 F(o=-2.5,f=-1.6) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-3.4!) USER MOD Single : A 64 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.42) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0595 X(o=-0.059,f=-0.32) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= -0.898 (180deg=-1.19) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0771 K(o=-0.077,f=-0.75) USER MOD Single : A 103 LYS NZ :NH3+ 156:sc= -0.0349 (180deg=-0.233) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.863 12.065 -10.565 1.00 0.00 N ATOM 2 CA GLY A 1 21.014 11.733 -11.696 1.00 0.00 C ATOM 3 C GLY A 1 20.878 12.923 -12.648 1.00 0.00 C ATOM 4 O GLY A 1 21.197 14.054 -12.283 1.00 0.00 O ATOM 0 H1 GLY A 1 22.716 11.471 -10.585 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.137 13.067 -10.619 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.344 11.896 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.432 10.881 -12.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.028 11.433 -11.340 1.00 0.00 H new ATOM 8 N SER A 2 20.405 12.628 -13.850 1.00 0.00 N ATOM 9 CA SER A 2 20.224 13.659 -14.857 1.00 0.00 C ATOM 10 C SER A 2 19.674 13.043 -16.144 1.00 0.00 C ATOM 11 O SER A 2 20.365 12.278 -16.815 1.00 0.00 O ATOM 12 CB SER A 2 21.538 14.392 -15.138 1.00 0.00 C ATOM 13 OG SER A 2 21.705 15.530 -14.298 1.00 0.00 O ATOM 0 H SER A 2 20.142 11.689 -14.149 1.00 0.00 H new ATOM 0 HA SER A 2 19.508 14.387 -14.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.373 13.707 -14.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.562 14.705 -16.182 1.00 0.00 H new ATOM 0 HG SER A 2 21.783 15.240 -13.365 1.00 0.00 H new ATOM 19 N SER A 3 18.435 13.399 -16.450 1.00 0.00 N ATOM 20 CA SER A 3 17.784 12.890 -17.645 1.00 0.00 C ATOM 21 C SER A 3 17.542 11.385 -17.510 1.00 0.00 C ATOM 22 O SER A 3 18.136 10.732 -16.653 1.00 0.00 O ATOM 23 CB SER A 3 18.618 13.183 -18.894 1.00 0.00 C ATOM 24 OG SER A 3 18.007 14.166 -19.725 1.00 0.00 O ATOM 0 H SER A 3 17.865 14.034 -15.891 1.00 0.00 H new ATOM 0 HA SER A 3 16.825 13.397 -17.753 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.609 13.525 -18.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.756 12.263 -19.462 1.00 0.00 H new ATOM 0 HG SER A 3 18.571 14.326 -20.511 1.00 0.00 H new ATOM 30 N GLY A 4 16.669 10.879 -18.367 1.00 0.00 N ATOM 31 CA GLY A 4 16.341 9.463 -18.354 1.00 0.00 C ATOM 32 C GLY A 4 15.039 9.209 -17.592 1.00 0.00 C ATOM 33 O GLY A 4 14.814 9.787 -16.530 1.00 0.00 O ATOM 0 H GLY A 4 16.178 11.424 -19.076 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.245 9.099 -19.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.153 8.902 -17.891 1.00 0.00 H new ATOM 37 N SER A 5 14.216 8.343 -18.165 1.00 0.00 N ATOM 38 CA SER A 5 12.942 8.005 -17.553 1.00 0.00 C ATOM 39 C SER A 5 12.541 6.578 -17.933 1.00 0.00 C ATOM 40 O SER A 5 12.234 6.303 -19.092 1.00 0.00 O ATOM 41 CB SER A 5 11.851 8.992 -17.972 1.00 0.00 C ATOM 42 OG SER A 5 10.740 8.970 -17.079 1.00 0.00 O ATOM 0 H SER A 5 14.406 7.865 -19.046 1.00 0.00 H new ATOM 0 HA SER A 5 13.055 8.068 -16.471 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.267 9.999 -18.008 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.511 8.751 -18.979 1.00 0.00 H new ATOM 0 HG SER A 5 10.066 9.615 -17.380 1.00 0.00 H new ATOM 48 N SER A 6 12.556 5.707 -16.935 1.00 0.00 N ATOM 49 CA SER A 6 12.198 4.315 -17.150 1.00 0.00 C ATOM 50 C SER A 6 11.093 3.903 -16.176 1.00 0.00 C ATOM 51 O SER A 6 10.838 4.594 -15.191 1.00 0.00 O ATOM 52 CB SER A 6 13.415 3.402 -16.989 1.00 0.00 C ATOM 53 OG SER A 6 13.648 2.613 -18.152 1.00 0.00 O ATOM 0 H SER A 6 12.811 5.938 -15.975 1.00 0.00 H new ATOM 0 HA SER A 6 11.832 4.210 -18.171 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.297 4.007 -16.779 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.266 2.747 -16.131 1.00 0.00 H new ATOM 0 HG SER A 6 14.434 2.045 -18.010 1.00 0.00 H new ATOM 59 N GLY A 7 10.466 2.777 -16.485 1.00 0.00 N ATOM 60 CA GLY A 7 9.393 2.265 -15.649 1.00 0.00 C ATOM 61 C GLY A 7 9.950 1.606 -14.386 1.00 0.00 C ATOM 62 O GLY A 7 9.724 0.420 -14.148 1.00 0.00 O ATOM 0 H GLY A 7 10.680 2.205 -17.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.722 3.079 -15.373 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.803 1.541 -16.211 1.00 0.00 H new ATOM 66 N LYS A 8 10.668 2.404 -13.608 1.00 0.00 N ATOM 67 CA LYS A 8 11.259 1.913 -12.375 1.00 0.00 C ATOM 68 C LYS A 8 10.720 2.727 -11.197 1.00 0.00 C ATOM 69 O LYS A 8 10.938 3.936 -11.122 1.00 0.00 O ATOM 70 CB LYS A 8 12.785 1.912 -12.475 1.00 0.00 C ATOM 71 CG LYS A 8 13.426 1.799 -11.091 1.00 0.00 C ATOM 72 CD LYS A 8 13.232 0.398 -10.509 1.00 0.00 C ATOM 73 CE LYS A 8 14.023 0.228 -9.211 1.00 0.00 C ATOM 74 NZ LYS A 8 13.253 -0.576 -8.236 1.00 0.00 N ATOM 0 H LYS A 8 10.853 3.387 -13.808 1.00 0.00 H new ATOM 0 HA LYS A 8 10.974 0.875 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.111 1.080 -13.100 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.122 2.827 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.490 2.024 -11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.987 2.539 -10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.173 0.223 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.553 -0.349 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.976 -0.258 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.250 1.206 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.805 -0.682 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.355 -0.097 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.058 -1.515 -8.638 1.00 0.00 H new ATOM 88 N LEU A 9 10.028 2.033 -10.306 1.00 0.00 N ATOM 89 CA LEU A 9 9.457 2.677 -9.135 1.00 0.00 C ATOM 90 C LEU A 9 10.578 3.037 -8.159 1.00 0.00 C ATOM 91 O LEU A 9 11.501 2.251 -7.950 1.00 0.00 O ATOM 92 CB LEU A 9 8.365 1.799 -8.521 1.00 0.00 C ATOM 93 CG LEU A 9 7.208 1.420 -9.448 1.00 0.00 C ATOM 94 CD1 LEU A 9 6.965 -0.091 -9.430 1.00 0.00 C ATOM 95 CD2 LEU A 9 5.944 2.208 -9.099 1.00 0.00 C ATOM 0 H LEU A 9 9.850 1.031 -10.371 1.00 0.00 H new ATOM 0 HA LEU A 9 8.966 3.609 -9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.827 0.882 -8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.955 2.317 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 9 7.484 1.691 -10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.138 -0.334 -10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.865 -0.608 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.719 -0.408 -8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.138 1.919 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.653 1.992 -8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.140 3.275 -9.204 1.00 0.00 H new ATOM 107 N HIS A 10 10.462 4.227 -7.587 1.00 0.00 N ATOM 108 CA HIS A 10 11.454 4.701 -6.637 1.00 0.00 C ATOM 109 C HIS A 10 10.853 4.716 -5.231 1.00 0.00 C ATOM 110 O HIS A 10 9.635 4.785 -5.073 1.00 0.00 O ATOM 111 CB HIS A 10 12.004 6.064 -7.062 1.00 0.00 C ATOM 112 CG HIS A 10 13.313 5.993 -7.811 1.00 0.00 C ATOM 113 ND1 HIS A 10 14.260 7.001 -7.763 1.00 0.00 N ATOM 114 CD2 HIS A 10 13.823 5.023 -8.624 1.00 0.00 C ATOM 115 CE1 HIS A 10 15.289 6.644 -8.519 1.00 0.00 C ATOM 116 NE2 HIS A 10 15.015 5.419 -9.051 1.00 0.00 N ATOM 0 H HIS A 10 9.696 4.877 -7.763 1.00 0.00 H new ATOM 0 HA HIS A 10 12.304 4.019 -6.623 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.265 6.563 -7.689 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.138 6.683 -6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.339 4.091 -8.877 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.186 7.222 -8.684 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.627 4.893 -9.675 1.00 0.00 H new ATOM 124 N TYR A 11 11.734 4.651 -4.244 1.00 0.00 N ATOM 125 CA TYR A 11 11.306 4.656 -2.856 1.00 0.00 C ATOM 126 C TYR A 11 10.441 5.881 -2.554 1.00 0.00 C ATOM 127 O TYR A 11 10.299 6.768 -3.394 1.00 0.00 O ATOM 128 CB TYR A 11 12.585 4.731 -2.020 1.00 0.00 C ATOM 129 CG TYR A 11 13.439 3.463 -2.074 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.853 2.227 -1.890 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.796 3.555 -2.308 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.657 1.034 -1.941 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.600 2.361 -2.359 1.00 0.00 C ATOM 134 CZ TYR A 11 14.991 1.160 -2.173 1.00 0.00 C ATOM 135 OH TYR A 11 15.750 0.033 -2.222 1.00 0.00 O ATOM 0 H TYR A 11 12.744 4.595 -4.378 1.00 0.00 H new ATOM 0 HA TYR A 11 10.713 3.769 -2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.183 5.574 -2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.318 4.933 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.791 2.155 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.255 4.522 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.211 0.061 -1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.663 2.419 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 11 16.684 0.275 -2.396 1.00 0.00 H new ATOM 145 N LYS A 12 9.884 5.891 -1.351 1.00 0.00 N ATOM 146 CA LYS A 12 9.037 6.993 -0.928 1.00 0.00 C ATOM 147 C LYS A 12 8.155 7.431 -2.098 1.00 0.00 C ATOM 148 O LYS A 12 8.258 8.564 -2.568 1.00 0.00 O ATOM 149 CB LYS A 12 9.882 8.123 -0.337 1.00 0.00 C ATOM 150 CG LYS A 12 9.384 8.510 1.056 1.00 0.00 C ATOM 151 CD LYS A 12 10.335 7.998 2.140 1.00 0.00 C ATOM 152 CE LYS A 12 11.635 8.803 2.155 1.00 0.00 C ATOM 153 NZ LYS A 12 12.496 8.377 3.280 1.00 0.00 N ATOM 0 H LYS A 12 10.003 5.153 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 12 8.369 6.674 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.925 7.810 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.845 8.992 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.296 9.594 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.388 8.098 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.851 8.065 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.557 6.945 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.165 8.667 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.410 9.866 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.374 8.934 3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.994 8.530 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.725 7.368 3.179 1.00 0.00 H new ATOM 167 N GLN A 13 7.307 6.512 -2.536 1.00 0.00 N ATOM 168 CA GLN A 13 6.408 6.789 -3.643 1.00 0.00 C ATOM 169 C GLN A 13 5.063 6.094 -3.422 1.00 0.00 C ATOM 170 O GLN A 13 5.016 4.888 -3.183 1.00 0.00 O ATOM 171 CB GLN A 13 7.031 6.367 -4.975 1.00 0.00 C ATOM 172 CG GLN A 13 6.027 6.510 -6.120 1.00 0.00 C ATOM 173 CD GLN A 13 6.725 6.413 -7.478 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.930 6.567 -7.597 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.905 6.151 -8.491 1.00 0.00 N ATOM 0 H GLN A 13 7.224 5.574 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 13 6.236 7.865 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.910 6.978 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.370 5.333 -4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.267 5.732 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.512 7.467 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.906 6.034 -8.321 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.275 6.067 -9.438 1.00 0.00 H new ATOM 184 N ILE A 14 4.003 6.884 -3.510 1.00 0.00 N ATOM 185 CA ILE A 14 2.661 6.359 -3.322 1.00 0.00 C ATOM 186 C ILE A 14 2.221 5.630 -4.593 1.00 0.00 C ATOM 187 O ILE A 14 2.241 6.204 -5.681 1.00 0.00 O ATOM 188 CB ILE A 14 1.706 7.473 -2.890 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.331 8.336 -1.792 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.352 6.900 -2.467 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.084 7.729 -0.410 1.00 0.00 C ATOM 0 H ILE A 14 4.046 7.883 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 14 2.647 5.628 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 14 1.528 8.122 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.403 8.431 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.912 9.341 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.308 7.713 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.093 6.363 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.492 6.216 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.539 8.362 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.011 7.658 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.526 6.734 -0.366 1.00 0.00 H new ATOM 203 N VAL A 15 1.833 4.376 -4.414 1.00 0.00 N ATOM 204 CA VAL A 15 1.389 3.563 -5.533 1.00 0.00 C ATOM 205 C VAL A 15 0.236 2.665 -5.079 1.00 0.00 C ATOM 206 O VAL A 15 -0.020 2.535 -3.884 1.00 0.00 O ATOM 207 CB VAL A 15 2.568 2.776 -6.110 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.365 3.630 -7.098 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.469 2.244 -4.994 1.00 0.00 C ATOM 0 H VAL A 15 1.817 3.903 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 15 1.013 4.194 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 15 2.167 1.921 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.197 3.048 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.716 3.939 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.750 4.513 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.299 1.688 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.858 3.079 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.893 1.585 -4.344 1.00 0.00 H new ATOM 219 N TRP A 16 -0.428 2.068 -6.059 1.00 0.00 N ATOM 220 CA TRP A 16 -1.547 1.186 -5.775 1.00 0.00 C ATOM 221 C TRP A 16 -1.015 -0.247 -5.712 1.00 0.00 C ATOM 222 O TRP A 16 0.029 -0.551 -6.285 1.00 0.00 O ATOM 223 CB TRP A 16 -2.662 1.365 -6.808 1.00 0.00 C ATOM 224 CG TRP A 16 -3.437 2.676 -6.666 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.245 3.824 -7.331 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.541 2.930 -5.772 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.142 4.795 -6.933 1.00 0.00 N ATOM 228 CE2 TRP A 16 -4.955 4.234 -5.955 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.170 2.086 -4.840 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.013 4.810 -5.242 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.225 2.677 -4.135 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.654 3.987 -4.307 1.00 0.00 C ATOM 0 H TRP A 16 -0.212 2.178 -7.050 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.998 1.432 -4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.229 1.317 -7.807 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.359 0.532 -6.723 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.484 3.971 -8.083 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.198 5.749 -7.291 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.863 1.063 -4.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.318 5.833 -5.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.742 2.071 -3.405 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.478 4.369 -3.723 1.00 0.00 H new ATOM 243 N VAL A 17 -1.758 -1.090 -5.009 1.00 0.00 N ATOM 244 CA VAL A 17 -1.375 -2.483 -4.863 1.00 0.00 C ATOM 245 C VAL A 17 -2.475 -3.374 -5.443 1.00 0.00 C ATOM 246 O VAL A 17 -3.660 -3.130 -5.217 1.00 0.00 O ATOM 247 CB VAL A 17 -1.068 -2.791 -3.396 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.339 -3.184 -2.641 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.001 -3.880 -3.276 1.00 0.00 C ATOM 0 H VAL A 17 -2.624 -0.834 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.462 -2.688 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.674 -1.884 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.093 -3.398 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.056 -2.364 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.775 -4.071 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.200 -4.080 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.353 -4.792 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.918 -3.545 -3.762 1.00 0.00 H new ATOM 259 N LYS A 18 -2.045 -4.388 -6.179 1.00 0.00 N ATOM 260 CA LYS A 18 -2.979 -5.316 -6.793 1.00 0.00 C ATOM 261 C LYS A 18 -3.186 -6.514 -5.864 1.00 0.00 C ATOM 262 O LYS A 18 -2.225 -7.179 -5.479 1.00 0.00 O ATOM 263 CB LYS A 18 -2.507 -5.701 -8.197 1.00 0.00 C ATOM 264 CG LYS A 18 -3.463 -6.709 -8.840 1.00 0.00 C ATOM 265 CD LYS A 18 -3.650 -6.413 -10.329 1.00 0.00 C ATOM 266 CE LYS A 18 -2.975 -7.483 -11.190 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.790 -8.719 -11.214 1.00 0.00 N ATOM 0 H LYS A 18 -1.062 -4.587 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.952 -4.844 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.441 -4.809 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.505 -6.127 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.073 -7.719 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.428 -6.674 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.713 -6.370 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.231 -5.434 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.840 -7.110 -12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.983 -7.702 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.216 -9.506 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.111 -8.942 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.616 -8.578 -11.830 1.00 0.00 H new ATOM 281 N LEU A 19 -4.446 -6.753 -5.531 1.00 0.00 N ATOM 282 CA LEU A 19 -4.791 -7.860 -4.655 1.00 0.00 C ATOM 283 C LEU A 19 -5.684 -8.845 -5.412 1.00 0.00 C ATOM 284 O LEU A 19 -6.908 -8.718 -5.396 1.00 0.00 O ATOM 285 CB LEU A 19 -5.411 -7.340 -3.356 1.00 0.00 C ATOM 286 CG LEU A 19 -4.661 -6.201 -2.663 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.276 -5.890 -1.297 1.00 0.00 C ATOM 288 CD2 LEU A 19 -3.166 -6.511 -2.561 1.00 0.00 C ATOM 0 H LEU A 19 -5.240 -6.199 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.895 -8.406 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.425 -7.003 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.493 -8.173 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.763 -5.304 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.724 -5.077 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.317 -5.595 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.226 -6.777 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.656 -5.685 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.022 -7.425 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.753 -6.644 -3.561 1.00 0.00 H new ATOM 300 N GLY A 20 -5.038 -9.805 -6.056 1.00 0.00 N ATOM 301 CA GLY A 20 -5.758 -10.812 -6.817 1.00 0.00 C ATOM 302 C GLY A 20 -6.064 -10.314 -8.232 1.00 0.00 C ATOM 303 O GLY A 20 -5.174 -10.256 -9.079 1.00 0.00 O ATOM 0 H GLY A 20 -4.023 -9.907 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.166 -11.726 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.688 -11.063 -6.307 1.00 0.00 H new ATOM 307 N ASN A 21 -7.325 -9.969 -8.443 1.00 0.00 N ATOM 308 CA ASN A 21 -7.760 -9.479 -9.740 1.00 0.00 C ATOM 309 C ASN A 21 -8.426 -8.112 -9.567 1.00 0.00 C ATOM 310 O ASN A 21 -7.949 -7.113 -10.102 1.00 0.00 O ATOM 311 CB ASN A 21 -8.781 -10.426 -10.373 1.00 0.00 C ATOM 312 CG ASN A 21 -8.131 -11.290 -11.455 1.00 0.00 C ATOM 313 OD1 ASN A 21 -6.920 -11.385 -11.566 1.00 0.00 O ATOM 314 ND2 ASN A 21 -9.001 -11.914 -12.245 1.00 0.00 N ATOM 0 H ASN A 21 -8.060 -10.019 -7.738 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.884 -9.410 -10.385 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.215 -11.065 -9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.598 -9.849 -10.806 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.666 -12.515 -12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.003 -11.791 -12.098 1.00 0.00 H new ATOM 321 N TYR A 22 -9.518 -8.113 -8.817 1.00 0.00 N ATOM 322 CA TYR A 22 -10.255 -6.885 -8.567 1.00 0.00 C ATOM 323 C TYR A 22 -9.835 -6.256 -7.237 1.00 0.00 C ATOM 324 O TYR A 22 -8.990 -6.800 -6.528 1.00 0.00 O ATOM 325 CB TYR A 22 -11.729 -7.287 -8.485 1.00 0.00 C ATOM 326 CG TYR A 22 -12.104 -8.018 -7.194 1.00 0.00 C ATOM 327 CD1 TYR A 22 -12.484 -7.299 -6.080 1.00 0.00 C ATOM 328 CD2 TYR A 22 -12.061 -9.397 -7.144 1.00 0.00 C ATOM 329 CE1 TYR A 22 -12.837 -7.986 -4.865 1.00 0.00 C ATOM 330 CE2 TYR A 22 -12.414 -10.085 -5.930 1.00 0.00 C ATOM 331 CZ TYR A 22 -12.785 -9.345 -4.850 1.00 0.00 C ATOM 332 OH TYR A 22 -13.118 -9.995 -3.702 1.00 0.00 O ATOM 0 H TYR A 22 -9.910 -8.944 -8.374 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.064 -6.155 -9.354 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.345 -6.392 -8.576 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.969 -7.926 -9.335 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.517 -6.220 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.762 -9.960 -8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.136 -7.435 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.385 -11.163 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 22 -13.036 -10.962 -3.838 1.00 0.00 H new ATOM 342 N ARG A 23 -10.446 -5.119 -6.939 1.00 0.00 N ATOM 343 CA ARG A 23 -10.147 -4.409 -5.706 1.00 0.00 C ATOM 344 C ARG A 23 -8.673 -3.999 -5.674 1.00 0.00 C ATOM 345 O ARG A 23 -7.804 -4.759 -6.100 1.00 0.00 O ATOM 346 CB ARG A 23 -10.455 -5.276 -4.484 1.00 0.00 C ATOM 347 CG ARG A 23 -11.588 -4.670 -3.654 1.00 0.00 C ATOM 348 CD ARG A 23 -11.854 -5.502 -2.397 1.00 0.00 C ATOM 349 NE ARG A 23 -11.264 -4.835 -1.215 1.00 0.00 N ATOM 350 CZ ARG A 23 -11.162 -5.403 -0.005 1.00 0.00 C ATOM 351 NH1 ARG A 23 -11.611 -6.650 0.189 1.00 0.00 N ATOM 352 NH2 ARG A 23 -10.613 -4.723 1.010 1.00 0.00 N ATOM 0 H ARG A 23 -11.147 -4.671 -7.530 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.776 -3.519 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.732 -6.280 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.561 -5.374 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.330 -3.649 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.495 -4.614 -4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.927 -5.629 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.428 -6.498 -2.513 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.913 -3.884 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.030 -7.167 -0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.534 -7.083 1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.273 -3.773 0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.535 -5.155 1.931 1.00 0.00 H new ATOM 366 N TRP A 24 -8.436 -2.799 -5.166 1.00 0.00 N ATOM 367 CA TRP A 24 -7.083 -2.279 -5.073 1.00 0.00 C ATOM 368 C TRP A 24 -6.901 -1.682 -3.676 1.00 0.00 C ATOM 369 O TRP A 24 -7.879 -1.371 -2.997 1.00 0.00 O ATOM 370 CB TRP A 24 -6.803 -1.276 -6.193 1.00 0.00 C ATOM 371 CG TRP A 24 -6.788 -1.893 -7.593 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.836 -2.257 -8.345 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.622 -2.207 -8.382 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.432 -2.780 -9.556 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.043 -2.749 -9.580 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.256 -2.039 -8.094 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.161 -3.166 -10.584 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.388 -2.461 -9.108 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.795 -3.008 -10.319 1.00 0.00 C ATOM 0 H TRP A 24 -9.159 -2.171 -4.814 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.353 -3.077 -5.208 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.559 -0.491 -6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.841 -0.799 -6.007 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.867 -2.154 -8.041 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.041 -3.126 -10.298 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.904 -1.618 -7.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.515 -3.587 -11.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.327 -2.354 -8.937 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.062 -3.310 -11.052 1.00 0.00 H new ATOM 390 N TRP A 25 -5.642 -1.539 -3.288 1.00 0.00 N ATOM 391 CA TRP A 25 -5.319 -0.984 -1.984 1.00 0.00 C ATOM 392 C TRP A 25 -4.127 -0.040 -2.154 1.00 0.00 C ATOM 393 O TRP A 25 -3.181 -0.353 -2.875 1.00 0.00 O ATOM 394 CB TRP A 25 -5.062 -2.095 -0.964 1.00 0.00 C ATOM 395 CG TRP A 25 -5.139 -1.633 0.492 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.170 -1.082 1.236 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.293 -1.705 1.357 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.612 -0.794 2.511 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.944 -1.185 2.587 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.587 -2.193 1.108 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.834 -1.104 3.665 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.465 -2.105 2.195 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.130 -1.584 3.440 1.00 0.00 C ATOM 0 H TRP A 25 -4.834 -1.798 -3.854 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.160 -0.415 -1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.788 -2.893 -1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.076 -2.521 -1.147 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.168 -0.888 0.882 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -4.063 -0.372 3.260 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.881 -2.604 0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.537 -0.693 4.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.473 -2.467 2.057 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.866 -1.550 4.230 1.00 0.00 H new ATOM 414 N PRO A 26 -4.214 1.125 -1.459 1.00 0.00 N ATOM 415 CA PRO A 26 -3.154 2.117 -1.526 1.00 0.00 C ATOM 416 C PRO A 26 -1.940 1.677 -0.705 1.00 0.00 C ATOM 417 O PRO A 26 -2.089 1.093 0.367 1.00 0.00 O ATOM 418 CB PRO A 26 -3.784 3.402 -1.013 1.00 0.00 C ATOM 419 CG PRO A 26 -5.026 2.979 -0.246 1.00 0.00 C ATOM 420 CD PRO A 26 -5.319 1.529 -0.594 1.00 0.00 C ATOM 0 HA PRO A 26 -2.769 2.254 -2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.093 3.946 -0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.041 4.067 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.868 3.089 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.872 3.613 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.368 0.909 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.277 1.430 -1.104 1.00 0.00 H new ATOM 428 N ALA A 27 -0.765 1.976 -1.239 1.00 0.00 N ATOM 429 CA ALA A 27 0.475 1.619 -0.570 1.00 0.00 C ATOM 430 C ALA A 27 1.598 2.531 -1.066 1.00 0.00 C ATOM 431 O ALA A 27 1.491 3.130 -2.135 1.00 0.00 O ATOM 432 CB ALA A 27 0.777 0.139 -0.809 1.00 0.00 C ATOM 0 H ALA A 27 -0.645 2.462 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 27 0.385 1.763 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.707 -0.128 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.037 -0.467 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.877 -0.044 -1.879 1.00 0.00 H new ATOM 438 N GLU A 28 2.651 2.609 -0.265 1.00 0.00 N ATOM 439 CA GLU A 28 3.794 3.438 -0.609 1.00 0.00 C ATOM 440 C GLU A 28 5.084 2.617 -0.545 1.00 0.00 C ATOM 441 O GLU A 28 5.294 1.858 0.399 1.00 0.00 O ATOM 442 CB GLU A 28 3.877 4.663 0.303 1.00 0.00 C ATOM 443 CG GLU A 28 5.120 5.498 -0.012 1.00 0.00 C ATOM 444 CD GLU A 28 5.608 6.246 1.231 1.00 0.00 C ATOM 445 OE1 GLU A 28 6.358 5.621 2.011 1.00 0.00 O ATOM 446 OE2 GLU A 28 5.220 7.426 1.372 1.00 0.00 O ATOM 0 H GLU A 28 2.736 2.112 0.621 1.00 0.00 H new ATOM 0 HA GLU A 28 3.665 3.795 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.983 5.274 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.903 4.344 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.913 4.850 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.892 6.211 -0.804 1.00 0.00 H new ATOM 453 N ILE A 29 5.914 2.799 -1.562 1.00 0.00 N ATOM 454 CA ILE A 29 7.177 2.085 -1.633 1.00 0.00 C ATOM 455 C ILE A 29 8.133 2.642 -0.576 1.00 0.00 C ATOM 456 O ILE A 29 8.386 3.845 -0.535 1.00 0.00 O ATOM 457 CB ILE A 29 7.739 2.130 -3.055 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.801 1.427 -4.038 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.156 1.554 -3.103 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.305 1.570 -5.475 1.00 0.00 C ATOM 0 H ILE A 29 5.736 3.430 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 29 7.031 1.029 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 29 7.805 3.173 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.723 0.371 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.800 1.850 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.532 1.598 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.808 2.136 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.139 0.517 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.620 1.061 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.359 2.626 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.296 1.124 -5.559 1.00 0.00 H new ATOM 472 N CYS A 30 8.638 1.740 0.253 1.00 0.00 N ATOM 473 CA CYS A 30 9.560 2.127 1.308 1.00 0.00 C ATOM 474 C CYS A 30 10.943 1.570 0.964 1.00 0.00 C ATOM 475 O CYS A 30 11.104 0.871 -0.035 1.00 0.00 O ATOM 476 CB CYS A 30 9.080 1.654 2.681 1.00 0.00 C ATOM 477 SG CYS A 30 8.216 3.016 3.545 1.00 0.00 S ATOM 0 H CYS A 30 8.426 0.743 0.216 1.00 0.00 H new ATOM 0 HA CYS A 30 9.611 3.214 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.410 0.802 2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.929 1.316 3.275 1.00 0.00 H new ATOM 0 HG CYS A 30 7.659 3.800 2.671 1.00 0.00 H new ATOM 483 N ASN A 31 11.907 1.902 1.811 1.00 0.00 N ATOM 484 CA ASN A 31 13.271 1.444 1.609 1.00 0.00 C ATOM 485 C ASN A 31 13.543 0.247 2.523 1.00 0.00 C ATOM 486 O ASN A 31 12.880 0.079 3.544 1.00 0.00 O ATOM 487 CB ASN A 31 14.278 2.542 1.956 1.00 0.00 C ATOM 488 CG ASN A 31 13.990 3.820 1.164 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.860 4.263 1.040 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.072 4.384 0.637 1.00 0.00 N ATOM 0 H ASN A 31 11.770 2.483 2.638 1.00 0.00 H new ATOM 0 HA ASN A 31 13.383 1.171 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.236 2.755 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.288 2.195 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.986 5.241 0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.989 3.960 0.780 1.00 0.00 H new ATOM 497 N PRO A 32 14.546 -0.574 2.111 1.00 0.00 N ATOM 498 CA PRO A 32 14.914 -1.750 2.881 1.00 0.00 C ATOM 499 C PRO A 32 15.701 -1.360 4.135 1.00 0.00 C ATOM 500 O PRO A 32 15.804 -2.145 5.076 1.00 0.00 O ATOM 501 CB PRO A 32 15.717 -2.613 1.922 1.00 0.00 C ATOM 502 CG PRO A 32 16.163 -1.688 0.801 1.00 0.00 C ATOM 503 CD PRO A 32 15.354 -0.405 0.907 1.00 0.00 C ATOM 0 HA PRO A 32 14.048 -2.295 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.575 -3.060 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.112 -3.433 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.229 -1.475 0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.006 -2.160 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.003 0.467 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.728 -0.258 0.027 1.00 0.00 H new ATOM 511 N ARG A 33 16.234 -0.147 4.107 1.00 0.00 N ATOM 512 CA ARG A 33 17.007 0.356 5.229 1.00 0.00 C ATOM 513 C ARG A 33 16.077 0.915 6.307 1.00 0.00 C ATOM 514 O ARG A 33 16.440 0.963 7.482 1.00 0.00 O ATOM 515 CB ARG A 33 17.976 1.453 4.783 1.00 0.00 C ATOM 516 CG ARG A 33 19.025 0.898 3.817 1.00 0.00 C ATOM 517 CD ARG A 33 20.153 0.196 4.577 1.00 0.00 C ATOM 518 NE ARG A 33 21.456 0.800 4.221 1.00 0.00 N ATOM 519 CZ ARG A 33 21.966 1.890 4.811 1.00 0.00 C ATOM 520 NH1 ARG A 33 21.285 2.502 5.790 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.156 2.368 4.423 1.00 0.00 N ATOM 0 H ARG A 33 16.145 0.502 3.325 1.00 0.00 H new ATOM 0 HA ARG A 33 17.581 -0.477 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.422 2.258 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.470 1.883 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.555 0.197 3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.436 1.709 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.986 0.279 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.158 -0.867 4.337 1.00 0.00 H new ATOM 0 HE ARG A 33 22.000 0.359 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 33 20.379 2.138 6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.673 3.332 6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.674 1.902 3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.544 3.198 4.872 1.00 0.00 H new ATOM 535 N SER A 34 14.894 1.322 5.870 1.00 0.00 N ATOM 536 CA SER A 34 13.909 1.875 6.783 1.00 0.00 C ATOM 537 C SER A 34 13.176 0.746 7.509 1.00 0.00 C ATOM 538 O SER A 34 13.270 0.624 8.730 1.00 0.00 O ATOM 539 CB SER A 34 12.910 2.766 6.042 1.00 0.00 C ATOM 540 OG SER A 34 11.721 2.979 6.798 1.00 0.00 O ATOM 0 H SER A 34 14.596 1.280 4.895 1.00 0.00 H new ATOM 0 HA SER A 34 14.430 2.491 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.376 3.726 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.655 2.308 5.087 1.00 0.00 H new ATOM 0 HG SER A 34 11.110 3.554 6.291 1.00 0.00 H new ATOM 546 N VAL A 35 12.462 -0.051 6.728 1.00 0.00 N ATOM 547 CA VAL A 35 11.713 -1.167 7.281 1.00 0.00 C ATOM 548 C VAL A 35 12.574 -1.888 8.320 1.00 0.00 C ATOM 549 O VAL A 35 13.800 -1.789 8.293 1.00 0.00 O ATOM 550 CB VAL A 35 11.238 -2.088 6.156 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.455 -1.304 5.100 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.415 -2.834 5.524 1.00 0.00 C ATOM 0 H VAL A 35 12.386 0.054 5.716 1.00 0.00 H new ATOM 0 HA VAL A 35 10.818 -0.811 7.791 1.00 0.00 H new ATOM 0 HB VAL A 35 10.567 -2.829 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.129 -1.982 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.584 -0.840 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.094 -0.531 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.050 -3.482 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.122 -2.115 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.913 -3.438 6.283 1.00 0.00 H new ATOM 562 N PRO A 36 11.881 -2.616 9.236 1.00 0.00 N ATOM 563 CA PRO A 36 12.569 -3.354 10.282 1.00 0.00 C ATOM 564 C PRO A 36 13.224 -4.618 9.722 1.00 0.00 C ATOM 565 O PRO A 36 12.773 -5.161 8.714 1.00 0.00 O ATOM 566 CB PRO A 36 11.500 -3.650 11.322 1.00 0.00 C ATOM 567 CG PRO A 36 10.168 -3.477 10.612 1.00 0.00 C ATOM 568 CD PRO A 36 10.429 -2.756 9.299 1.00 0.00 C ATOM 0 HA PRO A 36 13.391 -2.790 10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.605 -4.662 11.713 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.582 -2.970 12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.704 -4.446 10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.477 -2.905 11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.049 -3.326 8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.936 -1.784 9.276 1.00 0.00 H new ATOM 576 N LEU A 37 14.277 -5.050 10.399 1.00 0.00 N ATOM 577 CA LEU A 37 14.999 -6.240 9.982 1.00 0.00 C ATOM 578 C LEU A 37 14.000 -7.363 9.697 1.00 0.00 C ATOM 579 O LEU A 37 14.189 -8.147 8.767 1.00 0.00 O ATOM 580 CB LEU A 37 16.063 -6.612 11.016 1.00 0.00 C ATOM 581 CG LEU A 37 17.516 -6.376 10.597 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.880 -7.226 9.378 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.784 -4.889 10.360 1.00 0.00 C ATOM 0 H LEU A 37 14.648 -4.597 11.234 1.00 0.00 H new ATOM 0 HA LEU A 37 15.541 -6.051 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.871 -6.044 11.926 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.945 -7.666 11.267 1.00 0.00 H new ATOM 0 HG LEU A 37 18.163 -6.693 11.415 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.918 -7.039 9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.753 -8.281 9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.229 -6.964 8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.824 -4.749 10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.129 -4.523 9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.591 -4.334 11.278 1.00 0.00 H new ATOM 595 N ASN A 38 12.958 -7.407 10.514 1.00 0.00 N ATOM 596 CA ASN A 38 11.928 -8.421 10.361 1.00 0.00 C ATOM 597 C ASN A 38 11.589 -8.578 8.878 1.00 0.00 C ATOM 598 O ASN A 38 11.603 -9.688 8.348 1.00 0.00 O ATOM 599 CB ASN A 38 10.649 -8.023 11.099 1.00 0.00 C ATOM 600 CG ASN A 38 9.960 -9.249 11.702 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.388 -10.379 11.536 1.00 0.00 O ATOM 602 ND2 ASN A 38 8.871 -8.963 12.411 1.00 0.00 N ATOM 0 H ASN A 38 12.805 -6.757 11.285 1.00 0.00 H new ATOM 0 HA ASN A 38 12.309 -9.354 10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.887 -7.310 11.888 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.969 -7.521 10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.340 -9.712 12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.567 -7.994 12.511 1.00 0.00 H new ATOM 609 N ILE A 39 11.292 -7.450 8.249 1.00 0.00 N ATOM 610 CA ILE A 39 10.950 -7.448 6.837 1.00 0.00 C ATOM 611 C ILE A 39 12.181 -7.840 6.017 1.00 0.00 C ATOM 612 O ILE A 39 12.131 -8.779 5.225 1.00 0.00 O ATOM 613 CB ILE A 39 10.345 -6.102 6.434 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.292 -5.649 7.446 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.786 -6.156 5.010 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.325 -6.787 7.779 1.00 0.00 C ATOM 0 H ILE A 39 11.281 -6.531 8.692 1.00 0.00 H new ATOM 0 HA ILE A 39 10.180 -8.192 6.631 1.00 0.00 H new ATOM 0 HB ILE A 39 11.139 -5.355 6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.782 -5.306 8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.737 -4.802 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.362 -5.187 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.588 -6.401 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.010 -6.919 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.587 -6.438 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.819 -7.112 6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.880 -7.623 8.204 1.00 0.00 H new ATOM 628 N GLN A 40 13.258 -7.099 6.237 1.00 0.00 N ATOM 629 CA GLN A 40 14.500 -7.357 5.528 1.00 0.00 C ATOM 630 C GLN A 40 14.762 -8.862 5.446 1.00 0.00 C ATOM 631 O GLN A 40 15.063 -9.386 4.375 1.00 0.00 O ATOM 632 CB GLN A 40 15.672 -6.633 6.195 1.00 0.00 C ATOM 633 CG GLN A 40 15.553 -5.118 6.015 1.00 0.00 C ATOM 634 CD GLN A 40 16.841 -4.412 6.444 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.942 -4.819 6.112 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.642 -3.335 7.198 1.00 0.00 N ATOM 0 H GLN A 40 13.296 -6.321 6.895 1.00 0.00 H new ATOM 0 HA GLN A 40 14.404 -6.969 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.697 -6.876 7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.611 -6.981 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.338 -4.888 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.715 -4.743 6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.693 -3.049 7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.438 -2.794 7.535 1.00 0.00 H new ATOM 645 N GLY A 41 14.638 -9.516 6.592 1.00 0.00 N ATOM 646 CA GLY A 41 14.857 -10.950 6.663 1.00 0.00 C ATOM 647 C GLY A 41 14.131 -11.673 5.527 1.00 0.00 C ATOM 648 O GLY A 41 14.633 -12.661 4.993 1.00 0.00 O ATOM 0 H GLY A 41 14.389 -9.078 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.925 -11.161 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.505 -11.328 7.623 1.00 0.00 H new ATOM 652 N LEU A 42 12.960 -11.152 5.191 1.00 0.00 N ATOM 653 CA LEU A 42 12.159 -11.736 4.128 1.00 0.00 C ATOM 654 C LEU A 42 13.058 -12.049 2.931 1.00 0.00 C ATOM 655 O LEU A 42 14.137 -11.474 2.793 1.00 0.00 O ATOM 656 CB LEU A 42 10.976 -10.826 3.788 1.00 0.00 C ATOM 657 CG LEU A 42 10.008 -10.527 4.934 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.158 -9.294 4.626 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.148 -11.751 5.258 1.00 0.00 C ATOM 0 H LEU A 42 12.547 -10.332 5.636 1.00 0.00 H new ATOM 0 HA LEU A 42 11.722 -12.680 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.367 -9.880 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.414 -11.283 2.974 1.00 0.00 H new ATOM 0 HG LEU A 42 10.593 -10.299 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.479 -9.104 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.808 -8.431 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.581 -9.468 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.468 -11.512 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.571 -12.033 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.791 -12.580 5.551 1.00 0.00 H new ATOM 671 N LYS A 43 12.581 -12.959 2.095 1.00 0.00 N ATOM 672 CA LYS A 43 13.329 -13.356 0.914 1.00 0.00 C ATOM 673 C LYS A 43 12.757 -12.639 -0.311 1.00 0.00 C ATOM 674 O LYS A 43 11.553 -12.687 -0.556 1.00 0.00 O ATOM 675 CB LYS A 43 13.351 -14.880 0.780 1.00 0.00 C ATOM 676 CG LYS A 43 14.634 -15.352 0.094 1.00 0.00 C ATOM 677 CD LYS A 43 15.103 -16.690 0.669 1.00 0.00 C ATOM 678 CE LYS A 43 14.318 -17.853 0.061 1.00 0.00 C ATOM 679 NZ LYS A 43 14.879 -18.224 -1.258 1.00 0.00 N ATOM 0 H LYS A 43 11.685 -13.433 2.212 1.00 0.00 H new ATOM 0 HA LYS A 43 14.372 -13.053 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.273 -15.336 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.485 -15.211 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.462 -15.453 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.416 -14.603 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.167 -16.822 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.978 -16.689 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.351 -18.712 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.270 -17.574 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.334 -19.015 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.825 -17.408 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.872 -18.510 -1.145 1.00 0.00 H new ATOM 693 N HIS A 44 13.648 -11.991 -1.047 1.00 0.00 N ATOM 694 CA HIS A 44 13.247 -11.265 -2.240 1.00 0.00 C ATOM 695 C HIS A 44 14.366 -11.330 -3.281 1.00 0.00 C ATOM 696 O HIS A 44 15.447 -11.848 -3.004 1.00 0.00 O ATOM 697 CB HIS A 44 12.843 -9.831 -1.893 1.00 0.00 C ATOM 698 CG HIS A 44 13.961 -8.826 -2.035 1.00 0.00 C ATOM 699 ND1 HIS A 44 14.109 -7.772 -2.888 1.00 0.00 N flip ATOM 700 CD2 HIS A 44 15.094 -8.848 -1.241 1.00 0.00 C flip ATOM 701 CE1 HIS A 44 15.269 -7.181 -2.627 1.00 0.00 C flip ATOM 702 NE2 HIS A 44 15.881 -7.847 -1.606 1.00 0.00 N flip ATOM 0 H HIS A 44 14.646 -11.954 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 44 12.365 -11.734 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.016 -9.532 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.474 -9.806 -0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 44 15.302 -9.561 -0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 44 15.663 -6.315 -3.139 1.00 0.00 H new ATOM 0 HE2 HIS A 44 16.786 -7.615 -1.196 1.00 0.00 H new ATOM 710 N ASP A 45 14.068 -10.798 -4.457 1.00 0.00 N ATOM 711 CA ASP A 45 15.036 -10.790 -5.541 1.00 0.00 C ATOM 712 C ASP A 45 15.087 -9.392 -6.163 1.00 0.00 C ATOM 713 O ASP A 45 14.230 -8.554 -5.885 1.00 0.00 O ATOM 714 CB ASP A 45 14.643 -11.781 -6.639 1.00 0.00 C ATOM 715 CG ASP A 45 15.643 -11.901 -7.790 1.00 0.00 C ATOM 716 OD1 ASP A 45 16.842 -12.077 -7.484 1.00 0.00 O ATOM 717 OD2 ASP A 45 15.186 -11.815 -8.950 1.00 0.00 O ATOM 0 H ASP A 45 13.170 -10.370 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 45 16.005 -11.073 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.510 -12.765 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.677 -11.484 -7.047 1.00 0.00 H new ATOM 722 N LEU A 46 16.100 -9.185 -6.991 1.00 0.00 N ATOM 723 CA LEU A 46 16.274 -7.903 -7.654 1.00 0.00 C ATOM 724 C LEU A 46 14.913 -7.389 -8.125 1.00 0.00 C ATOM 725 O LEU A 46 13.976 -8.168 -8.297 1.00 0.00 O ATOM 726 CB LEU A 46 17.310 -8.016 -8.774 1.00 0.00 C ATOM 727 CG LEU A 46 18.587 -7.193 -8.591 1.00 0.00 C ATOM 728 CD1 LEU A 46 19.726 -7.751 -9.447 1.00 0.00 C ATOM 729 CD2 LEU A 46 18.330 -5.711 -8.873 1.00 0.00 C ATOM 0 H LEU A 46 16.809 -9.883 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 46 16.671 -7.164 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.589 -9.064 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.839 -7.716 -9.710 1.00 0.00 H new ATOM 0 HG LEU A 46 18.898 -7.273 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.622 -7.148 -9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.929 -8.781 -9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.439 -7.722 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.254 -5.149 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.981 -5.591 -9.899 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.572 -5.336 -8.186 1.00 0.00 H new ATOM 741 N GLY A 47 14.846 -6.080 -8.322 1.00 0.00 N ATOM 742 CA GLY A 47 13.614 -5.453 -8.770 1.00 0.00 C ATOM 743 C GLY A 47 12.662 -5.215 -7.596 1.00 0.00 C ATOM 744 O GLY A 47 12.559 -4.097 -7.092 1.00 0.00 O ATOM 0 H GLY A 47 15.625 -5.437 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.841 -4.505 -9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.129 -6.086 -9.514 1.00 0.00 H new ATOM 748 N ASP A 48 11.989 -6.283 -7.196 1.00 0.00 N ATOM 749 CA ASP A 48 11.048 -6.205 -6.091 1.00 0.00 C ATOM 750 C ASP A 48 11.627 -5.306 -4.997 1.00 0.00 C ATOM 751 O ASP A 48 12.841 -5.259 -4.805 1.00 0.00 O ATOM 752 CB ASP A 48 10.795 -7.586 -5.484 1.00 0.00 C ATOM 753 CG ASP A 48 10.683 -8.727 -6.497 1.00 0.00 C ATOM 754 OD1 ASP A 48 11.725 -9.047 -7.109 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.559 -9.254 -6.636 1.00 0.00 O ATOM 0 H ASP A 48 12.076 -7.208 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 48 10.110 -5.803 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.604 -7.815 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.875 -7.547 -4.900 1.00 0.00 H new ATOM 760 N PHE A 49 10.731 -4.615 -4.308 1.00 0.00 N ATOM 761 CA PHE A 49 11.137 -3.720 -3.238 1.00 0.00 C ATOM 762 C PHE A 49 10.130 -3.750 -2.086 1.00 0.00 C ATOM 763 O PHE A 49 8.990 -4.176 -2.264 1.00 0.00 O ATOM 764 CB PHE A 49 11.179 -2.309 -3.827 1.00 0.00 C ATOM 765 CG PHE A 49 10.043 -2.009 -4.807 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.789 -1.768 -4.341 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.289 -1.985 -6.145 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.735 -1.490 -5.251 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.235 -1.707 -7.055 1.00 0.00 C ATOM 770 CZ PHE A 49 7.980 -1.465 -6.589 1.00 0.00 C ATOM 0 H PHE A 49 9.725 -4.657 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 49 12.107 -4.026 -2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.143 -1.585 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.132 -2.168 -4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.594 -1.788 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.285 -2.177 -6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.739 -1.298 -4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.430 -1.688 -8.117 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.178 -1.253 -7.281 1.00 0.00 H new ATOM 780 N PRO A 50 10.600 -3.279 -0.900 1.00 0.00 N ATOM 781 CA PRO A 50 9.753 -3.247 0.281 1.00 0.00 C ATOM 782 C PRO A 50 8.733 -2.110 0.194 1.00 0.00 C ATOM 783 O PRO A 50 9.098 -0.962 -0.053 1.00 0.00 O ATOM 784 CB PRO A 50 10.714 -3.095 1.449 1.00 0.00 C ATOM 785 CG PRO A 50 12.015 -2.582 0.855 1.00 0.00 C ATOM 786 CD PRO A 50 11.944 -2.765 -0.652 1.00 0.00 C ATOM 0 HA PRO A 50 9.151 -4.149 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.321 -2.398 2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.865 -4.048 1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.161 -1.531 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.864 -3.128 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.110 -1.822 -1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.705 -3.462 -1.003 1.00 0.00 H new ATOM 794 N VAL A 51 7.475 -2.470 0.401 1.00 0.00 N ATOM 795 CA VAL A 51 6.400 -1.494 0.349 1.00 0.00 C ATOM 796 C VAL A 51 5.557 -1.603 1.622 1.00 0.00 C ATOM 797 O VAL A 51 5.472 -2.671 2.225 1.00 0.00 O ATOM 798 CB VAL A 51 5.580 -1.686 -0.929 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.473 -1.609 -2.169 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.807 -3.005 -0.891 1.00 0.00 C ATOM 0 H VAL A 51 7.176 -3.424 0.605 1.00 0.00 H new ATOM 0 HA VAL A 51 6.804 -0.482 0.311 1.00 0.00 H new ATOM 0 HB VAL A 51 4.855 -0.875 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.866 -1.749 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.958 -0.634 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.232 -2.390 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.233 -3.117 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.508 -3.835 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.129 -3.005 -0.038 1.00 0.00 H new ATOM 810 N PHE A 52 4.955 -0.482 1.992 1.00 0.00 N ATOM 811 CA PHE A 52 4.122 -0.437 3.181 1.00 0.00 C ATOM 812 C PHE A 52 2.648 -0.251 2.812 1.00 0.00 C ATOM 813 O PHE A 52 2.292 0.709 2.132 1.00 0.00 O ATOM 814 CB PHE A 52 4.584 0.765 4.007 1.00 0.00 C ATOM 815 CG PHE A 52 3.826 0.944 5.324 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.814 -0.058 6.243 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.165 2.106 5.575 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.111 0.108 7.465 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.461 2.272 6.798 1.00 0.00 C ATOM 820 CZ PHE A 52 2.449 1.270 7.717 1.00 0.00 C ATOM 0 H PHE A 52 5.028 0.402 1.489 1.00 0.00 H new ATOM 0 HA PHE A 52 4.215 -1.371 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.647 0.657 4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.471 1.669 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.339 -0.980 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.175 2.902 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.102 -0.688 8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.935 3.194 6.998 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.914 1.396 8.647 1.00 0.00 H new ATOM 830 N PHE A 53 1.832 -1.186 3.277 1.00 0.00 N ATOM 831 CA PHE A 53 0.406 -1.137 3.005 1.00 0.00 C ATOM 832 C PHE A 53 -0.333 -0.353 4.090 1.00 0.00 C ATOM 833 O PHE A 53 -0.246 -0.686 5.271 1.00 0.00 O ATOM 834 CB PHE A 53 -0.099 -2.582 3.003 1.00 0.00 C ATOM 835 CG PHE A 53 0.285 -3.373 1.751 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.592 -3.486 1.392 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.680 -3.965 0.998 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.948 -4.221 0.230 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.324 -4.699 -0.164 1.00 0.00 C ATOM 840 CZ PHE A 53 0.983 -4.812 -0.523 1.00 0.00 C ATOM 0 H PHE A 53 2.132 -1.982 3.840 1.00 0.00 H new ATOM 0 HA PHE A 53 0.226 -0.642 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.296 -3.095 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.185 -2.577 3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.359 -3.017 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.718 -3.877 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.986 -4.310 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.091 -5.168 -0.763 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.254 -5.371 -1.406 1.00 0.00 H new ATOM 850 N PHE A 54 -1.045 0.675 3.652 1.00 0.00 N ATOM 851 CA PHE A 54 -1.799 1.510 4.572 1.00 0.00 C ATOM 852 C PHE A 54 -2.974 0.738 5.176 1.00 0.00 C ATOM 853 O PHE A 54 -3.353 -0.317 4.670 1.00 0.00 O ATOM 854 CB PHE A 54 -2.342 2.690 3.762 1.00 0.00 C ATOM 855 CG PHE A 54 -1.257 3.540 3.097 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.303 4.141 3.857 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.247 3.693 1.746 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.703 4.930 3.240 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.241 4.482 1.128 1.00 0.00 C ATOM 860 CZ PHE A 54 0.713 5.084 1.888 1.00 0.00 C ATOM 0 H PHE A 54 -1.116 0.949 2.672 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.156 1.838 5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.014 2.311 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.936 3.326 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.311 4.018 4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.004 3.214 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.460 5.408 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.233 4.604 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.478 5.684 1.418 1.00 0.00 H new ATOM 870 N GLY A 55 -3.517 1.294 6.249 1.00 0.00 N ATOM 871 CA GLY A 55 -4.640 0.671 6.927 1.00 0.00 C ATOM 872 C GLY A 55 -4.173 -0.484 7.815 1.00 0.00 C ATOM 873 O GLY A 55 -4.364 -0.455 9.030 1.00 0.00 O ATOM 0 H GLY A 55 -3.200 2.169 6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.160 1.413 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.355 0.303 6.191 1.00 0.00 H new ATOM 877 N SER A 56 -3.568 -1.474 7.174 1.00 0.00 N ATOM 878 CA SER A 56 -3.071 -2.636 7.891 1.00 0.00 C ATOM 879 C SER A 56 -1.712 -2.323 8.518 1.00 0.00 C ATOM 880 O SER A 56 -1.504 -2.557 9.708 1.00 0.00 O ATOM 881 CB SER A 56 -2.962 -3.849 6.964 1.00 0.00 C ATOM 882 OG SER A 56 -1.895 -3.712 6.030 1.00 0.00 O ATOM 0 H SER A 56 -3.411 -1.495 6.166 1.00 0.00 H new ATOM 0 HA SER A 56 -3.780 -2.879 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.809 -4.748 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.901 -3.980 6.426 1.00 0.00 H new ATOM 0 HG SER A 56 -1.477 -4.586 5.880 1.00 0.00 H new ATOM 888 N HIS A 57 -0.821 -1.798 7.690 1.00 0.00 N ATOM 889 CA HIS A 57 0.514 -1.451 8.149 1.00 0.00 C ATOM 890 C HIS A 57 1.392 -2.703 8.168 1.00 0.00 C ATOM 891 O HIS A 57 1.834 -3.139 9.229 1.00 0.00 O ATOM 892 CB HIS A 57 0.455 -0.747 9.506 1.00 0.00 C ATOM 893 CG HIS A 57 -0.656 0.269 9.623 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.422 0.867 8.666 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -1.083 0.776 10.839 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -2.272 1.693 9.264 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -2.063 1.638 10.611 1.00 0.00 N flip ATOM 0 H HIS A 57 -0.997 -1.604 6.704 1.00 0.00 H new ATOM 0 HA HIS A 57 0.968 -0.742 7.456 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.332 -1.497 10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.408 -0.251 9.688 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.685 0.513 11.808 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.008 2.307 8.766 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.572 2.168 11.319 1.00 0.00 H new ATOM 905 N ASP A 58 1.620 -3.245 6.981 1.00 0.00 N ATOM 906 CA ASP A 58 2.438 -4.438 6.847 1.00 0.00 C ATOM 907 C ASP A 58 3.335 -4.302 5.615 1.00 0.00 C ATOM 908 O ASP A 58 2.906 -3.785 4.585 1.00 0.00 O ATOM 909 CB ASP A 58 1.569 -5.684 6.664 1.00 0.00 C ATOM 910 CG ASP A 58 0.267 -5.689 7.466 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.368 -5.671 8.712 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.801 -5.710 6.816 1.00 0.00 O ATOM 0 H ASP A 58 1.252 -2.880 6.103 1.00 0.00 H new ATOM 0 HA ASP A 58 3.032 -4.542 7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.327 -5.787 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.154 -6.560 6.944 1.00 0.00 H new ATOM 917 N TYR A 59 4.564 -4.774 5.763 1.00 0.00 N ATOM 918 CA TYR A 59 5.525 -4.711 4.675 1.00 0.00 C ATOM 919 C TYR A 59 5.564 -6.029 3.900 1.00 0.00 C ATOM 920 O TYR A 59 5.420 -7.102 4.485 1.00 0.00 O ATOM 921 CB TYR A 59 6.889 -4.478 5.329 1.00 0.00 C ATOM 922 CG TYR A 59 6.940 -3.249 6.239 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.990 -1.985 5.689 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.937 -3.405 7.611 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.038 -0.828 6.545 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.985 -2.249 8.467 1.00 0.00 C ATOM 927 CZ TYR A 59 7.034 -1.017 7.892 1.00 0.00 C ATOM 928 OH TYR A 59 7.080 0.075 8.701 1.00 0.00 O ATOM 0 H TYR A 59 4.916 -5.202 6.619 1.00 0.00 H new ATOM 0 HA TYR A 59 5.257 -3.921 3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.157 -5.360 5.911 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.642 -4.371 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.993 -1.863 4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.899 -4.395 8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.076 0.167 6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.982 -2.357 9.542 1.00 0.00 H new ATOM 0 HH TYR A 59 7.070 -0.211 9.638 1.00 0.00 H new ATOM 938 N TYR A 60 5.758 -5.907 2.595 1.00 0.00 N ATOM 939 CA TYR A 60 5.817 -7.075 1.734 1.00 0.00 C ATOM 940 C TYR A 60 6.751 -6.835 0.546 1.00 0.00 C ATOM 941 O TYR A 60 6.925 -5.699 0.109 1.00 0.00 O ATOM 942 CB TYR A 60 4.394 -7.287 1.213 1.00 0.00 C ATOM 943 CG TYR A 60 3.369 -7.589 2.308 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.495 -8.729 3.076 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.318 -6.722 2.527 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.530 -9.012 4.107 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.353 -7.006 3.557 1.00 0.00 C ATOM 948 CZ TYR A 60 1.507 -8.137 4.296 1.00 0.00 C ATOM 949 OH TYR A 60 0.595 -8.405 5.270 1.00 0.00 O ATOM 0 H TYR A 60 5.876 -5.016 2.113 1.00 0.00 H new ATOM 0 HA TYR A 60 6.195 -7.937 2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.080 -6.395 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.399 -8.109 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.317 -9.408 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.219 -5.830 1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.617 -9.899 4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.526 -6.336 3.739 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.079 -7.693 5.292 1.00 0.00 H new ATOM 959 N TRP A 61 7.328 -7.924 0.059 1.00 0.00 N ATOM 960 CA TRP A 61 8.241 -7.845 -1.069 1.00 0.00 C ATOM 961 C TRP A 61 7.464 -8.221 -2.333 1.00 0.00 C ATOM 962 O TRP A 61 7.302 -9.402 -2.637 1.00 0.00 O ATOM 963 CB TRP A 61 9.472 -8.725 -0.841 1.00 0.00 C ATOM 964 CG TRP A 61 10.392 -8.229 0.278 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.318 -8.502 1.588 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.533 -7.359 0.130 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.325 -7.873 2.292 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.087 -7.156 1.377 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.079 -6.762 -1.020 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.215 -6.356 1.594 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.207 -5.965 -0.787 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.777 -5.751 0.463 1.00 0.00 C ATOM 0 H TRP A 61 7.181 -8.865 0.424 1.00 0.00 H new ATOM 0 HA TRP A 61 8.625 -6.831 -1.184 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.144 -9.738 -0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.042 -8.782 -1.768 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.566 -9.134 2.036 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.481 -7.925 3.299 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.661 -6.907 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.630 -6.213 2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.666 -5.483 -1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.649 -5.121 0.561 1.00 0.00 H new ATOM 983 N VAL A 62 7.005 -7.195 -3.034 1.00 0.00 N ATOM 984 CA VAL A 62 6.249 -7.403 -4.257 1.00 0.00 C ATOM 985 C VAL A 62 7.028 -6.821 -5.438 1.00 0.00 C ATOM 986 O VAL A 62 7.531 -5.701 -5.363 1.00 0.00 O ATOM 987 CB VAL A 62 4.847 -6.808 -4.114 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.093 -7.453 -2.949 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.911 -5.288 -3.950 1.00 0.00 C ATOM 0 H VAL A 62 7.142 -6.217 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 62 6.117 -8.468 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 62 4.297 -7.024 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.099 -7.012 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.001 -8.525 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.641 -7.282 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.901 -4.890 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.488 -5.042 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.390 -4.848 -4.824 1.00 0.00 H new ATOM 999 N HIS A 63 7.104 -7.607 -6.501 1.00 0.00 N ATOM 1000 CA HIS A 63 7.813 -7.184 -7.697 1.00 0.00 C ATOM 1001 C HIS A 63 7.253 -5.844 -8.178 1.00 0.00 C ATOM 1002 O HIS A 63 6.399 -5.251 -7.520 1.00 0.00 O ATOM 1003 CB HIS A 63 7.761 -8.270 -8.773 1.00 0.00 C ATOM 1004 CG HIS A 63 6.427 -8.971 -8.873 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.204 -10.235 -8.354 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.251 -8.573 -9.436 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.947 -10.572 -8.601 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.358 -9.541 -9.272 1.00 0.00 N ATOM 0 H HIS A 63 6.686 -8.536 -6.559 1.00 0.00 H new ATOM 0 HA HIS A 63 8.868 -7.035 -7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.998 -7.823 -9.738 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.534 -9.010 -8.566 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.891 -10.809 -7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.076 -7.630 -9.932 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.472 -11.500 -8.320 1.00 0.00 H new ATOM 1016 N GLN A 64 7.756 -5.406 -9.323 1.00 0.00 N ATOM 1017 CA GLN A 64 7.316 -4.147 -9.900 1.00 0.00 C ATOM 1018 C GLN A 64 6.450 -4.403 -11.135 1.00 0.00 C ATOM 1019 O GLN A 64 6.588 -5.434 -11.792 1.00 0.00 O ATOM 1020 CB GLN A 64 8.510 -3.254 -10.244 1.00 0.00 C ATOM 1021 CG GLN A 64 9.185 -3.715 -11.537 1.00 0.00 C ATOM 1022 CD GLN A 64 10.582 -3.107 -11.674 1.00 0.00 C ATOM 1023 OE1 GLN A 64 11.373 -3.088 -10.744 1.00 0.00 O ATOM 1024 NE2 GLN A 64 10.842 -2.613 -12.881 1.00 0.00 N ATOM 0 H GLN A 64 8.464 -5.900 -9.866 1.00 0.00 H new ATOM 0 HA GLN A 64 6.713 -3.622 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.177 -2.222 -10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.231 -3.273 -9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.256 -4.803 -11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.574 -3.428 -12.393 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.135 -2.661 -13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.748 -2.186 -13.073 1.00 0.00 H new ATOM 1033 N GLY A 65 5.576 -3.447 -11.414 1.00 0.00 N ATOM 1034 CA GLY A 65 4.687 -3.557 -12.559 1.00 0.00 C ATOM 1035 C GLY A 65 3.259 -3.879 -12.115 1.00 0.00 C ATOM 1036 O GLY A 65 2.316 -3.733 -12.892 1.00 0.00 O ATOM 0 H GLY A 65 5.464 -2.593 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.695 -2.623 -13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.047 -4.336 -13.230 1.00 0.00 H new ATOM 1040 N ARG A 66 3.144 -4.312 -10.868 1.00 0.00 N ATOM 1041 CA ARG A 66 1.847 -4.657 -10.312 1.00 0.00 C ATOM 1042 C ARG A 66 1.253 -3.459 -9.569 1.00 0.00 C ATOM 1043 O ARG A 66 0.075 -3.466 -9.213 1.00 0.00 O ATOM 1044 CB ARG A 66 1.957 -5.841 -9.350 1.00 0.00 C ATOM 1045 CG ARG A 66 2.152 -7.152 -10.115 1.00 0.00 C ATOM 1046 CD ARG A 66 0.891 -8.017 -10.051 1.00 0.00 C ATOM 1047 NE ARG A 66 1.144 -9.328 -10.690 1.00 0.00 N ATOM 1048 CZ ARG A 66 1.279 -9.506 -12.011 1.00 0.00 C ATOM 1049 NH1 ARG A 66 1.188 -8.459 -12.841 1.00 0.00 N ATOM 1050 NH2 ARG A 66 1.507 -10.732 -12.501 1.00 0.00 N ATOM 0 H ARG A 66 3.928 -4.432 -10.227 1.00 0.00 H new ATOM 0 HA ARG A 66 1.195 -4.936 -11.140 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.794 -5.685 -8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.057 -5.903 -8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.398 -6.937 -11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.995 -7.700 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.591 -8.161 -9.013 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.067 -7.511 -10.554 1.00 0.00 H new ATOM 0 HE ARG A 66 1.220 -10.147 -10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.016 -7.526 -12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.291 -8.595 -13.847 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.578 -11.529 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.610 -10.868 -13.507 1.00 0.00 H new ATOM 1064 N VAL A 67 2.095 -2.458 -9.356 1.00 0.00 N ATOM 1065 CA VAL A 67 1.668 -1.255 -8.662 1.00 0.00 C ATOM 1066 C VAL A 67 1.457 -0.132 -9.679 1.00 0.00 C ATOM 1067 O VAL A 67 2.107 -0.105 -10.723 1.00 0.00 O ATOM 1068 CB VAL A 67 2.679 -0.893 -7.572 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.265 -2.151 -6.929 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.786 0.005 -8.128 1.00 0.00 C ATOM 0 H VAL A 67 3.071 -2.456 -9.652 1.00 0.00 H new ATOM 0 HA VAL A 67 0.715 -1.422 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 67 2.152 -0.335 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.981 -1.866 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.463 -2.738 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.769 -2.747 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.491 0.248 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.309 -0.516 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.348 0.924 -8.517 1.00 0.00 H new ATOM 1080 N PHE A 68 0.546 0.768 -9.338 1.00 0.00 N ATOM 1081 CA PHE A 68 0.242 1.891 -10.209 1.00 0.00 C ATOM 1082 C PHE A 68 0.584 3.219 -9.531 1.00 0.00 C ATOM 1083 O PHE A 68 0.576 3.315 -8.304 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.262 1.847 -10.487 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.622 1.326 -11.880 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.639 -0.012 -12.122 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -1.926 2.201 -12.875 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.973 -0.495 -13.415 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.260 1.718 -14.168 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.277 0.380 -14.410 1.00 0.00 C ATOM 0 H PHE A 68 0.009 0.742 -8.471 1.00 0.00 H new ATOM 0 HA PHE A 68 0.828 1.820 -11.125 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.741 1.215 -9.739 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.673 2.850 -10.368 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.399 -0.707 -11.331 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.914 3.264 -12.682 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.985 -1.558 -13.608 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.500 2.413 -14.959 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.532 0.012 -15.393 1.00 0.00 H new ATOM 1100 N PRO A 69 0.885 4.238 -10.380 1.00 0.00 N ATOM 1101 CA PRO A 69 1.230 5.556 -9.876 1.00 0.00 C ATOM 1102 C PRO A 69 -0.014 6.294 -9.376 1.00 0.00 C ATOM 1103 O PRO A 69 -0.981 6.461 -10.118 1.00 0.00 O ATOM 1104 CB PRO A 69 1.909 6.258 -11.041 1.00 0.00 C ATOM 1105 CG PRO A 69 1.506 5.484 -12.285 1.00 0.00 C ATOM 1106 CD PRO A 69 0.905 4.162 -11.838 1.00 0.00 C ATOM 0 HA PRO A 69 1.893 5.516 -9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.592 7.299 -11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.992 6.262 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.784 6.053 -12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.372 5.313 -12.925 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.099 4.027 -12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.503 3.318 -12.182 1.00 0.00 H new ATOM 1114 N TYR A 70 0.052 6.717 -8.122 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.057 7.433 -7.515 1.00 0.00 C ATOM 1116 C TYR A 70 -0.966 8.933 -7.806 1.00 0.00 C ATOM 1117 O TYR A 70 0.119 9.511 -7.773 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.927 7.210 -6.007 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.800 8.141 -5.163 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.502 9.487 -5.088 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -2.885 7.635 -4.476 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.324 10.363 -4.293 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -3.707 8.511 -3.682 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.386 9.832 -3.630 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.161 10.659 -2.879 1.00 0.00 O ATOM 0 H TYR A 70 0.856 6.578 -7.510 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.008 7.075 -7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.189 6.177 -5.779 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.115 7.345 -5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.653 9.883 -5.625 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.117 6.582 -4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.102 11.418 -4.225 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.559 8.128 -3.140 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.883 10.143 -2.464 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.121 9.519 -8.085 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.185 10.940 -8.382 1.00 0.00 C ATOM 1137 C VAL A 71 -3.089 11.630 -7.358 1.00 0.00 C ATOM 1138 O VAL A 71 -3.570 10.995 -6.421 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.646 11.153 -9.825 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -1.481 10.983 -10.803 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -3.799 10.211 -10.177 1.00 0.00 C ATOM 0 H VAL A 71 -3.019 9.036 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.196 11.392 -8.301 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.011 12.176 -9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.835 11.140 -11.822 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.704 11.712 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.073 9.976 -10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.108 10.383 -11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.472 9.177 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.640 10.400 -9.510 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.293 12.922 -7.572 1.00 0.00 N ATOM 1152 CA GLU A 72 -4.131 13.705 -6.679 1.00 0.00 C ATOM 1153 C GLU A 72 -5.325 14.281 -7.442 1.00 0.00 C ATOM 1154 O GLU A 72 -5.153 14.934 -8.470 1.00 0.00 O ATOM 1155 CB GLU A 72 -3.324 14.815 -6.004 1.00 0.00 C ATOM 1156 CG GLU A 72 -3.959 15.222 -4.672 1.00 0.00 C ATOM 1157 CD GLU A 72 -4.764 16.514 -4.820 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.130 17.589 -4.748 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -5.995 16.399 -5.002 1.00 0.00 O ATOM 0 H GLU A 72 -2.893 13.446 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.508 13.048 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.302 14.475 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.267 15.681 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.609 14.423 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.181 15.358 -3.921 1.00 0.00 H new ATOM 1166 N GLY A 73 -6.510 14.019 -6.909 1.00 0.00 N ATOM 1167 CA GLY A 73 -7.732 14.504 -7.526 1.00 0.00 C ATOM 1168 C GLY A 73 -7.763 14.168 -9.019 1.00 0.00 C ATOM 1169 O GLY A 73 -7.293 14.948 -9.845 1.00 0.00 O ATOM 0 H GLY A 73 -6.649 13.477 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.595 14.059 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.809 15.583 -7.391 1.00 0.00 H new ATOM 1173 N ASP A 74 -8.322 13.004 -9.319 1.00 0.00 N ATOM 1174 CA ASP A 74 -8.420 12.555 -10.697 1.00 0.00 C ATOM 1175 C ASP A 74 -9.604 11.595 -10.833 1.00 0.00 C ATOM 1176 O ASP A 74 -9.460 10.392 -10.621 1.00 0.00 O ATOM 1177 CB ASP A 74 -7.155 11.808 -11.125 1.00 0.00 C ATOM 1178 CG ASP A 74 -7.345 10.823 -12.280 1.00 0.00 C ATOM 1179 OD1 ASP A 74 -7.543 11.309 -13.414 1.00 0.00 O ATOM 1180 OD2 ASP A 74 -7.289 9.605 -12.002 1.00 0.00 O ATOM 0 H ASP A 74 -8.711 12.359 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.551 13.433 -11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.399 12.539 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.763 11.265 -10.265 1.00 0.00 H new ATOM 1185 N LYS A 75 -10.748 12.164 -11.185 1.00 0.00 N ATOM 1186 CA LYS A 75 -11.956 11.374 -11.351 1.00 0.00 C ATOM 1187 C LYS A 75 -12.180 10.522 -10.100 1.00 0.00 C ATOM 1188 O LYS A 75 -12.287 9.300 -10.188 1.00 0.00 O ATOM 1189 CB LYS A 75 -11.891 10.560 -12.645 1.00 0.00 C ATOM 1190 CG LYS A 75 -13.148 10.772 -13.490 1.00 0.00 C ATOM 1191 CD LYS A 75 -13.686 9.440 -14.017 1.00 0.00 C ATOM 1192 CE LYS A 75 -15.107 9.598 -14.561 1.00 0.00 C ATOM 1193 NZ LYS A 75 -15.621 8.301 -15.053 1.00 0.00 N ATOM 0 H LYS A 75 -10.864 13.162 -11.360 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.824 12.025 -11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.010 10.851 -13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.782 9.502 -12.408 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.913 11.266 -12.892 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.921 11.433 -14.326 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.031 9.065 -14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.679 8.699 -13.217 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.762 9.982 -13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.114 10.329 -15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.586 8.426 -15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.005 7.950 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.633 7.614 -14.273 1.00 0.00 H new ATOM 1207 N SER A 76 -12.243 11.201 -8.964 1.00 0.00 N ATOM 1208 CA SER A 76 -12.452 10.522 -7.696 1.00 0.00 C ATOM 1209 C SER A 76 -11.261 9.612 -7.388 1.00 0.00 C ATOM 1210 O SER A 76 -10.479 9.283 -8.279 1.00 0.00 O ATOM 1211 CB SER A 76 -13.749 9.710 -7.713 1.00 0.00 C ATOM 1212 OG SER A 76 -14.681 10.173 -6.740 1.00 0.00 O ATOM 0 H SER A 76 -12.153 12.215 -8.895 1.00 0.00 H new ATOM 0 HA SER A 76 -12.538 11.276 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.200 9.768 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.522 8.660 -7.527 1.00 0.00 H new ATOM 0 HG SER A 76 -15.496 9.631 -6.784 1.00 0.00 H new ATOM 1218 N PHE A 77 -11.160 9.231 -6.123 1.00 0.00 N ATOM 1219 CA PHE A 77 -10.077 8.366 -5.686 1.00 0.00 C ATOM 1220 C PHE A 77 -10.536 6.909 -5.611 1.00 0.00 C ATOM 1221 O PHE A 77 -9.896 6.023 -6.175 1.00 0.00 O ATOM 1222 CB PHE A 77 -9.669 8.833 -4.287 1.00 0.00 C ATOM 1223 CG PHE A 77 -9.302 10.316 -4.208 1.00 0.00 C ATOM 1224 CD1 PHE A 77 -10.282 11.257 -4.160 1.00 0.00 C ATOM 1225 CD2 PHE A 77 -7.995 10.693 -4.186 1.00 0.00 C ATOM 1226 CE1 PHE A 77 -9.941 12.634 -4.086 1.00 0.00 C ATOM 1227 CE2 PHE A 77 -7.654 12.069 -4.112 1.00 0.00 C ATOM 1228 CZ PHE A 77 -8.635 13.011 -4.064 1.00 0.00 C ATOM 0 H PHE A 77 -11.810 9.505 -5.387 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.248 8.422 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.488 8.635 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -8.818 8.240 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.320 10.958 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.217 9.945 -4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -10.719 13.382 -4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.616 12.368 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.376 14.058 -4.008 1.00 0.00 H new ATOM 1238 N ALA A 78 -11.642 6.705 -4.909 1.00 0.00 N ATOM 1239 CA ALA A 78 -12.194 5.371 -4.753 1.00 0.00 C ATOM 1240 C ALA A 78 -13.638 5.475 -4.257 1.00 0.00 C ATOM 1241 O ALA A 78 -14.552 4.936 -4.878 1.00 0.00 O ATOM 1242 CB ALA A 78 -11.309 4.559 -3.805 1.00 0.00 C ATOM 0 H ALA A 78 -12.170 7.442 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.211 4.849 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.724 3.558 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.302 4.489 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.270 5.051 -2.833 1.00 0.00 H new ATOM 1248 N GLU A 79 -13.797 6.173 -3.142 1.00 0.00 N ATOM 1249 CA GLU A 79 -15.114 6.356 -2.555 1.00 0.00 C ATOM 1250 C GLU A 79 -15.241 7.761 -1.964 1.00 0.00 C ATOM 1251 O GLU A 79 -14.610 8.074 -0.956 1.00 0.00 O ATOM 1252 CB GLU A 79 -15.394 5.288 -1.496 1.00 0.00 C ATOM 1253 CG GLU A 79 -15.461 3.895 -2.125 1.00 0.00 C ATOM 1254 CD GLU A 79 -16.466 3.008 -1.388 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -17.614 3.473 -1.215 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -16.064 1.885 -1.014 1.00 0.00 O ATOM 0 H GLU A 79 -13.036 6.619 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.860 6.246 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.613 5.311 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.335 5.509 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.746 3.979 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.474 3.432 -2.098 1.00 0.00 H new ATOM 1263 N GLY A 80 -16.062 8.571 -2.617 1.00 0.00 N ATOM 1264 CA GLY A 80 -16.281 9.935 -2.169 1.00 0.00 C ATOM 1265 C GLY A 80 -17.651 10.082 -1.505 1.00 0.00 C ATOM 1266 O GLY A 80 -18.469 9.164 -1.551 1.00 0.00 O ATOM 0 H GLY A 80 -16.584 8.308 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.499 10.220 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.209 10.616 -3.017 1.00 0.00 H new ATOM 1270 N GLN A 81 -17.860 11.243 -0.901 1.00 0.00 N ATOM 1271 CA GLN A 81 -19.117 11.521 -0.228 1.00 0.00 C ATOM 1272 C GLN A 81 -19.616 10.273 0.503 1.00 0.00 C ATOM 1273 O GLN A 81 -20.581 9.642 0.074 1.00 0.00 O ATOM 1274 CB GLN A 81 -20.167 12.033 -1.217 1.00 0.00 C ATOM 1275 CG GLN A 81 -20.117 13.558 -1.329 1.00 0.00 C ATOM 1276 CD GLN A 81 -21.455 14.181 -0.928 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -22.113 13.754 0.007 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -21.820 15.213 -1.684 1.00 0.00 N ATOM 0 H GLN A 81 -17.180 12.002 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.946 12.306 0.509 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.997 11.587 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.160 11.721 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.324 13.947 -0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -19.871 13.843 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.222 15.520 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.698 15.698 -1.496 1.00 0.00 H new ATOM 1287 N THR A 82 -18.935 9.954 1.594 1.00 0.00 N ATOM 1288 CA THR A 82 -19.296 8.792 2.388 1.00 0.00 C ATOM 1289 C THR A 82 -18.554 8.810 3.726 1.00 0.00 C ATOM 1290 O THR A 82 -17.481 9.401 3.838 1.00 0.00 O ATOM 1291 CB THR A 82 -19.014 7.541 1.554 1.00 0.00 C ATOM 1292 OG1 THR A 82 -19.116 6.470 2.487 1.00 0.00 O ATOM 1293 CG2 THR A 82 -17.564 7.476 1.069 1.00 0.00 C ATOM 0 H THR A 82 -18.135 10.480 1.947 1.00 0.00 H new ATOM 0 HA THR A 82 -20.357 8.799 2.639 1.00 0.00 H new ATOM 0 HB THR A 82 -19.686 7.518 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.949 5.620 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.417 6.569 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.348 8.347 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 82 -16.893 7.465 1.928 1.00 0.00 H new ATOM 1301 N SER A 83 -19.155 8.154 4.708 1.00 0.00 N ATOM 1302 CA SER A 83 -18.565 8.087 6.034 1.00 0.00 C ATOM 1303 C SER A 83 -17.310 7.212 6.005 1.00 0.00 C ATOM 1304 O SER A 83 -17.248 6.234 5.261 1.00 0.00 O ATOM 1305 CB SER A 83 -19.566 7.544 7.056 1.00 0.00 C ATOM 1306 OG SER A 83 -19.924 8.525 8.026 1.00 0.00 O ATOM 0 H SER A 83 -20.045 7.664 4.612 1.00 0.00 H new ATOM 0 HA SER A 83 -18.290 9.097 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 83 -20.462 7.202 6.539 1.00 0.00 H new ATOM 0 HB3 SER A 83 -19.137 6.677 7.558 1.00 0.00 H new ATOM 0 HG SER A 83 -20.566 8.140 8.659 1.00 0.00 H new ATOM 1312 N ILE A 84 -16.341 7.595 6.823 1.00 0.00 N ATOM 1313 CA ILE A 84 -15.091 6.858 6.900 1.00 0.00 C ATOM 1314 C ILE A 84 -15.101 5.974 8.148 1.00 0.00 C ATOM 1315 O ILE A 84 -15.447 6.433 9.236 1.00 0.00 O ATOM 1316 CB ILE A 84 -13.899 7.815 6.834 1.00 0.00 C ATOM 1317 CG1 ILE A 84 -13.894 8.767 8.032 1.00 0.00 C ATOM 1318 CG2 ILE A 84 -13.874 8.569 5.503 1.00 0.00 C ATOM 1319 CD1 ILE A 84 -12.622 8.595 8.864 1.00 0.00 C ATOM 0 H ILE A 84 -16.396 8.406 7.439 1.00 0.00 H new ATOM 0 HA ILE A 84 -14.986 6.196 6.041 1.00 0.00 H new ATOM 0 HB ILE A 84 -12.984 7.225 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.968 9.797 7.683 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -14.768 8.578 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -13.017 9.242 5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -13.795 7.856 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -14.792 9.147 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -12.644 9.283 9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.564 7.571 9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.751 8.808 8.245 1.00 0.00 H new ATOM 1331 N ASN A 85 -14.719 4.721 7.950 1.00 0.00 N ATOM 1332 CA ASN A 85 -14.680 3.768 9.046 1.00 0.00 C ATOM 1333 C ASN A 85 -13.866 2.543 8.623 1.00 0.00 C ATOM 1334 O ASN A 85 -12.922 2.154 9.309 1.00 0.00 O ATOM 1335 CB ASN A 85 -16.088 3.296 9.416 1.00 0.00 C ATOM 1336 CG ASN A 85 -16.181 2.964 10.907 1.00 0.00 C ATOM 1337 OD1 ASN A 85 -15.204 2.989 11.637 1.00 0.00 O ATOM 1338 ND2 ASN A 85 -17.407 2.652 11.316 1.00 0.00 N ATOM 0 H ASN A 85 -14.434 4.344 7.046 1.00 0.00 H new ATOM 0 HA ASN A 85 -14.228 4.262 9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.813 4.071 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.347 2.416 8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -17.573 2.414 12.294 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.181 2.650 10.652 1.00 0.00 H new ATOM 1345 N LYS A 86 -14.262 1.970 7.497 1.00 0.00 N ATOM 1346 CA LYS A 86 -13.582 0.797 6.974 1.00 0.00 C ATOM 1347 C LYS A 86 -12.075 1.060 6.941 1.00 0.00 C ATOM 1348 O LYS A 86 -11.643 2.212 6.907 1.00 0.00 O ATOM 1349 CB LYS A 86 -14.166 0.398 5.618 1.00 0.00 C ATOM 1350 CG LYS A 86 -14.126 -1.120 5.428 1.00 0.00 C ATOM 1351 CD LYS A 86 -15.534 -1.716 5.479 1.00 0.00 C ATOM 1352 CE LYS A 86 -15.615 -2.844 6.510 1.00 0.00 C ATOM 1353 NZ LYS A 86 -17.018 -3.280 6.692 1.00 0.00 N ATOM 0 H LYS A 86 -15.046 2.296 6.931 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.743 -0.060 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.195 0.750 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.604 0.883 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.661 -1.358 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.508 -1.571 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.254 -0.937 5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.807 -2.097 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.005 -3.687 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.207 -2.505 7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.055 -4.046 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.591 -2.478 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.395 -3.623 5.786 1.00 0.00 H new ATOM 1367 N THR A 87 -11.316 -0.026 6.951 1.00 0.00 N ATOM 1368 CA THR A 87 -9.867 0.073 6.923 1.00 0.00 C ATOM 1369 C THR A 87 -9.407 0.804 5.660 1.00 0.00 C ATOM 1370 O THR A 87 -8.541 1.676 5.723 1.00 0.00 O ATOM 1371 CB THR A 87 -9.294 -1.340 7.050 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.455 -1.657 8.429 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.780 -1.380 6.832 1.00 0.00 C ATOM 0 H THR A 87 -11.678 -0.979 6.978 1.00 0.00 H new ATOM 0 HA THR A 87 -9.495 0.666 7.758 1.00 0.00 H new ATOM 0 HB THR A 87 -9.782 -1.995 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.111 -2.558 8.600 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.425 -2.406 6.933 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.546 -1.012 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.289 -0.751 7.574 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.007 0.422 4.542 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.670 1.031 3.266 1.00 0.00 C ATOM 1383 C PHE A 88 -9.607 2.555 3.385 1.00 0.00 C ATOM 1384 O PHE A 88 -8.560 3.156 3.152 1.00 0.00 O ATOM 1385 CB PHE A 88 -10.780 0.653 2.284 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.367 0.743 0.813 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.320 1.531 0.448 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.046 0.035 -0.129 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -8.936 1.615 -0.916 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -10.662 0.118 -1.493 1.00 0.00 C ATOM 1391 CZ PHE A 88 -9.615 0.907 -1.858 1.00 0.00 C ATOM 0 H PHE A 88 -10.724 -0.301 4.493 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.694 0.679 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.108 -0.364 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.637 1.306 2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.781 2.093 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.877 -0.590 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.105 2.241 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.201 -0.445 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.323 0.971 -2.896 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.741 3.135 3.748 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.828 4.578 3.901 1.00 0.00 C ATOM 1403 C LYS A 89 -9.662 5.066 4.762 1.00 0.00 C ATOM 1404 O LYS A 89 -9.030 6.073 4.445 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.202 4.977 4.443 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.074 5.576 3.338 1.00 0.00 C ATOM 1407 CD LYS A 89 -14.022 4.525 2.757 1.00 0.00 C ATOM 1408 CE LYS A 89 -15.225 5.185 2.080 1.00 0.00 C ATOM 1409 NZ LYS A 89 -16.069 4.167 1.416 1.00 0.00 N ATOM 0 H LYS A 89 -11.607 2.633 3.941 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.738 5.070 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.697 4.104 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.083 5.700 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.651 6.410 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.440 5.976 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.487 3.908 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.366 3.862 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.814 5.728 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.882 5.916 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.748 4.637 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.467 3.525 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.586 3.622 2.135 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.411 4.331 5.835 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.332 4.676 6.744 1.00 0.00 C ATOM 1425 C LYS A 90 -7.004 4.656 5.984 1.00 0.00 C ATOM 1426 O LYS A 90 -6.126 5.478 6.239 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.352 3.763 7.972 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.162 4.052 8.890 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.524 3.792 10.354 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.267 3.705 11.222 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.442 4.484 12.468 1.00 0.00 N ATOM 0 H LYS A 90 -9.937 3.497 6.095 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.466 5.688 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.283 3.906 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.326 2.720 7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.317 3.426 8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.847 5.088 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.169 4.591 10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.090 2.864 10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.057 2.663 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.408 4.083 10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.580 4.414 13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.621 5.481 12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.249 4.105 13.004 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.900 3.707 5.065 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.694 3.568 4.266 1.00 0.00 C ATOM 1447 C ALA A 91 -5.636 4.700 3.238 1.00 0.00 C ATOM 1448 O ALA A 91 -4.579 5.289 3.017 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.671 2.185 3.613 1.00 0.00 C ATOM 0 H ALA A 91 -7.631 3.027 4.856 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.806 3.647 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.767 2.081 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.684 1.417 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.546 2.070 2.973 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.786 4.970 2.637 1.00 0.00 N ATOM 1456 CA LEU A 92 -6.879 6.020 1.637 1.00 0.00 C ATOM 1457 C LEU A 92 -6.366 7.333 2.233 1.00 0.00 C ATOM 1458 O LEU A 92 -5.575 8.036 1.606 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.303 6.111 1.086 1.00 0.00 C ATOM 1460 CG LEU A 92 -8.815 4.875 0.344 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.322 4.701 0.541 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.433 4.928 -1.137 1.00 0.00 C ATOM 0 H LEU A 92 -7.661 4.480 2.823 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.245 5.788 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.980 6.319 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.356 6.964 0.410 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.332 3.996 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.659 3.815 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.539 4.585 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.843 5.579 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.809 4.038 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.870 5.816 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.348 4.968 -1.232 1.00 0.00 H new ATOM 1474 N GLU A 93 -6.836 7.622 3.438 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.435 8.838 4.125 1.00 0.00 C ATOM 1476 C GLU A 93 -4.917 8.861 4.319 1.00 0.00 C ATOM 1477 O GLU A 93 -4.243 9.783 3.861 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.161 8.975 5.465 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.672 9.093 5.260 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.306 9.970 6.341 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -8.805 9.912 7.485 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.277 10.679 6.000 1.00 0.00 O ATOM 0 H GLU A 93 -7.490 7.035 3.956 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.716 9.691 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.942 8.110 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.792 9.854 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.877 9.517 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.124 8.101 5.280 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.424 7.837 5.000 1.00 0.00 N ATOM 1490 CA GLU A 94 -2.998 7.729 5.260 1.00 0.00 C ATOM 1491 C GLU A 94 -2.206 7.924 3.965 1.00 0.00 C ATOM 1492 O GLU A 94 -1.319 8.773 3.898 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.660 6.387 5.912 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.644 6.508 7.438 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.363 5.908 8.021 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.298 6.142 7.410 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.478 5.231 9.065 1.00 0.00 O ATOM 0 H GLU A 94 -4.986 7.075 5.380 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.715 8.517 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.392 5.637 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.687 6.042 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.722 7.557 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.512 5.998 7.856 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.555 7.123 2.969 1.00 0.00 N ATOM 1505 CA ALA A 95 -1.888 7.197 1.681 1.00 0.00 C ATOM 1506 C ALA A 95 -1.800 8.659 1.240 1.00 0.00 C ATOM 1507 O ALA A 95 -0.777 9.092 0.712 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.635 6.327 0.668 1.00 0.00 C ATOM 0 H ALA A 95 -3.291 6.420 3.028 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.871 6.813 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.134 6.383 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.644 5.293 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.660 6.685 0.567 1.00 0.00 H new ATOM 1514 N ALA A 96 -2.887 9.381 1.473 1.00 0.00 N ATOM 1515 CA ALA A 96 -2.945 10.786 1.106 1.00 0.00 C ATOM 1516 C ALA A 96 -1.861 11.552 1.866 1.00 0.00 C ATOM 1517 O ALA A 96 -0.979 12.155 1.256 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.348 11.328 1.386 1.00 0.00 C ATOM 0 H ALA A 96 -3.734 9.019 1.911 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.753 10.914 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.393 12.382 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.078 10.769 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.575 11.220 2.447 1.00 0.00 H new ATOM 1524 N LYS A 97 -1.962 11.504 3.186 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.001 12.186 4.036 1.00 0.00 C ATOM 1526 C LYS A 97 0.396 12.053 3.427 1.00 0.00 C ATOM 1527 O LYS A 97 0.966 13.033 2.950 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.097 11.672 5.474 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.332 12.823 6.453 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.762 12.795 6.999 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.923 13.775 8.163 1.00 0.00 C ATOM 1532 NZ LYS A 97 -2.705 13.086 9.454 1.00 0.00 N ATOM 0 H LYS A 97 -2.695 11.003 3.688 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.227 13.251 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.911 10.951 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.179 11.147 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.623 12.754 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.148 13.774 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.464 13.050 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.009 11.787 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.212 14.595 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.921 14.213 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.818 13.765 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.399 12.319 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.744 12.689 9.478 1.00 0.00 H new ATOM 1546 N ARG A 98 0.909 10.831 3.463 1.00 0.00 N ATOM 1547 CA ARG A 98 2.228 10.557 2.920 1.00 0.00 C ATOM 1548 C ARG A 98 2.444 11.343 1.625 1.00 0.00 C ATOM 1549 O ARG A 98 3.342 12.179 1.544 1.00 0.00 O ATOM 1550 CB ARG A 98 2.409 9.064 2.639 1.00 0.00 C ATOM 1551 CG ARG A 98 2.572 8.277 3.941 1.00 0.00 C ATOM 1552 CD ARG A 98 4.036 8.248 4.385 1.00 0.00 C ATOM 1553 NE ARG A 98 4.212 7.274 5.485 1.00 0.00 N ATOM 1554 CZ ARG A 98 5.288 7.229 6.284 1.00 0.00 C ATOM 1555 NH1 ARG A 98 6.289 8.102 6.109 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.362 6.311 7.257 1.00 0.00 N ATOM 0 H ARG A 98 0.434 10.020 3.860 1.00 0.00 H new ATOM 0 HA ARG A 98 2.963 10.867 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.548 8.687 2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.284 8.913 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.960 8.729 4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.210 7.258 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.674 7.978 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.345 9.240 4.714 1.00 0.00 H new ATOM 0 HE ARG A 98 3.468 6.594 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.233 8.801 5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.108 8.068 6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.600 5.646 7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.180 6.277 7.865 1.00 0.00 H new ATOM 1570 N PHE A 99 1.605 11.045 0.644 1.00 0.00 N ATOM 1571 CA PHE A 99 1.692 11.713 -0.644 1.00 0.00 C ATOM 1572 C PHE A 99 1.831 13.227 -0.468 1.00 0.00 C ATOM 1573 O PHE A 99 2.565 13.877 -1.210 1.00 0.00 O ATOM 1574 CB PHE A 99 0.390 11.416 -1.391 1.00 0.00 C ATOM 1575 CG PHE A 99 0.385 11.891 -2.845 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.933 11.113 -3.817 1.00 0.00 C ATOM 1577 CD2 PHE A 99 -0.168 13.092 -3.166 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.928 11.554 -5.166 1.00 0.00 C ATOM 1579 CE2 PHE A 99 -0.172 13.533 -4.516 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.376 12.755 -5.487 1.00 0.00 C ATOM 0 H PHE A 99 0.862 10.350 0.715 1.00 0.00 H new ATOM 0 HA PHE A 99 2.565 11.356 -1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.208 10.342 -1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.437 11.890 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.372 10.160 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.604 13.710 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.363 10.936 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.610 14.486 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.373 13.091 -6.514 1.00 0.00 H new ATOM 1590 N GLN A 100 1.114 13.744 0.519 1.00 0.00 N ATOM 1591 CA GLN A 100 1.148 15.169 0.802 1.00 0.00 C ATOM 1592 C GLN A 100 2.451 15.537 1.515 1.00 0.00 C ATOM 1593 O GLN A 100 2.973 16.636 1.332 1.00 0.00 O ATOM 1594 CB GLN A 100 -0.068 15.593 1.627 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.355 14.995 1.055 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.275 16.090 0.512 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.836 17.110 0.005 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.571 15.824 0.645 1.00 0.00 N ATOM 0 H GLN A 100 0.506 13.202 1.133 1.00 0.00 H new ATOM 0 HA GLN A 100 1.109 15.709 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.059 15.270 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.142 16.680 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.111 14.292 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.874 14.431 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.871 14.951 1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.266 16.493 0.313 1.00 0.00 H new ATOM 1607 N GLU A 101 2.937 14.598 2.313 1.00 0.00 N ATOM 1608 CA GLU A 101 4.169 14.810 3.055 1.00 0.00 C ATOM 1609 C GLU A 101 5.369 14.798 2.105 1.00 0.00 C ATOM 1610 O GLU A 101 6.170 15.731 2.099 1.00 0.00 O ATOM 1611 CB GLU A 101 4.331 13.763 4.158 1.00 0.00 C ATOM 1612 CG GLU A 101 3.006 13.519 4.882 1.00 0.00 C ATOM 1613 CD GLU A 101 3.234 13.271 6.375 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.683 12.152 6.702 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.954 14.207 7.154 1.00 0.00 O ATOM 0 H GLU A 101 2.500 13.688 2.462 1.00 0.00 H new ATOM 0 HA GLU A 101 4.119 15.788 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.691 12.829 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.084 14.096 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.351 14.380 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.499 12.661 4.441 1.00 0.00 H new ATOM 1622 N LEU A 102 5.455 13.730 1.326 1.00 0.00 N ATOM 1623 CA LEU A 102 6.544 13.583 0.375 1.00 0.00 C ATOM 1624 C LEU A 102 6.742 14.902 -0.374 1.00 0.00 C ATOM 1625 O LEU A 102 7.785 15.541 -0.249 1.00 0.00 O ATOM 1626 CB LEU A 102 6.295 12.385 -0.544 1.00 0.00 C ATOM 1627 CG LEU A 102 7.052 11.102 -0.193 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.996 10.827 1.311 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.533 9.919 -1.011 1.00 0.00 C ATOM 0 H LEU A 102 4.788 12.958 1.334 1.00 0.00 H new ATOM 0 HA LEU A 102 7.478 13.368 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.227 12.166 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.559 12.672 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 102 8.101 11.241 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.541 9.910 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.449 11.659 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.957 10.716 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.088 9.020 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.474 9.768 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.667 10.124 -2.073 1.00 0.00 H new ATOM 1641 N LYS A 103 5.723 15.271 -1.137 1.00 0.00 N ATOM 1642 CA LYS A 103 5.772 16.502 -1.907 1.00 0.00 C ATOM 1643 C LYS A 103 6.116 17.667 -0.976 1.00 0.00 C ATOM 1644 O LYS A 103 7.065 18.408 -1.228 1.00 0.00 O ATOM 1645 CB LYS A 103 4.469 16.701 -2.684 1.00 0.00 C ATOM 1646 CG LYS A 103 3.271 16.778 -1.736 1.00 0.00 C ATOM 1647 CD LYS A 103 1.962 16.521 -2.484 1.00 0.00 C ATOM 1648 CE LYS A 103 0.939 17.620 -2.193 1.00 0.00 C ATOM 1649 NZ LYS A 103 1.393 18.913 -2.752 1.00 0.00 N ATOM 0 H LYS A 103 4.859 14.739 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 103 6.560 16.450 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.530 17.615 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.330 15.878 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.387 16.045 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.238 17.761 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.155 16.473 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.555 15.553 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.026 17.350 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.793 17.714 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.571 19.528 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.040 19.373 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.888 18.748 -3.652 1.00 0.00 H new ATOM 1663 N ALA A 104 5.326 17.792 0.080 1.00 0.00 N ATOM 1664 CA ALA A 104 5.535 18.854 1.050 1.00 0.00 C ATOM 1665 C ALA A 104 6.310 18.300 2.247 1.00 0.00 C ATOM 1666 O ALA A 104 5.727 18.028 3.296 1.00 0.00 O ATOM 1667 CB ALA A 104 4.185 19.449 1.454 1.00 0.00 C ATOM 0 H ALA A 104 4.540 17.175 0.285 1.00 0.00 H new ATOM 0 HA ALA A 104 6.129 19.659 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.341 20.245 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.688 19.855 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.562 18.671 1.896 1.00 0.00 H new ATOM 1673 N SER A 105 7.611 18.149 2.051 1.00 0.00 N ATOM 1674 CA SER A 105 8.472 17.633 3.101 1.00 0.00 C ATOM 1675 C SER A 105 9.686 18.547 3.280 1.00 0.00 C ATOM 1676 O SER A 105 9.892 19.108 4.355 1.00 0.00 O ATOM 1677 CB SER A 105 8.924 16.205 2.790 1.00 0.00 C ATOM 1678 OG SER A 105 10.146 15.877 3.447 1.00 0.00 O ATOM 0 H SER A 105 8.090 18.375 1.180 1.00 0.00 H new ATOM 0 HA SER A 105 7.902 17.611 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.148 15.504 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.049 16.091 1.713 1.00 0.00 H new ATOM 0 HG SER A 105 10.400 14.957 3.225 1.00 0.00 H new ATOM 1684 N GLY A 106 10.458 18.668 2.210 1.00 0.00 N ATOM 1685 CA GLY A 106 11.645 19.505 2.236 1.00 0.00 C ATOM 1686 C GLY A 106 12.912 18.664 2.059 1.00 0.00 C ATOM 1687 O GLY A 106 12.975 17.526 2.522 1.00 0.00 O ATOM 0 H GLY A 106 10.285 18.201 1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.586 20.251 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.692 20.046 3.181 1.00 0.00 H new ATOM 1691 N PRO A 107 13.914 19.274 1.371 1.00 0.00 N ATOM 1692 CA PRO A 107 15.175 18.594 1.128 1.00 0.00 C ATOM 1693 C PRO A 107 16.028 18.548 2.398 1.00 0.00 C ATOM 1694 O PRO A 107 17.024 19.261 2.507 1.00 0.00 O ATOM 1695 CB PRO A 107 15.832 19.374 0.000 1.00 0.00 C ATOM 1696 CG PRO A 107 15.137 20.725 -0.031 1.00 0.00 C ATOM 1697 CD PRO A 107 13.875 20.620 0.809 1.00 0.00 C ATOM 0 HA PRO A 107 15.041 17.549 0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.902 19.489 0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.719 18.855 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.794 21.501 0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.891 21.004 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 107 13.858 21.376 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.982 20.770 0.202 1.00 0.00 H new ATOM 1705 N SER A 108 15.604 17.703 3.326 1.00 0.00 N ATOM 1706 CA SER A 108 16.316 17.555 4.584 1.00 0.00 C ATOM 1707 C SER A 108 16.826 16.120 4.731 1.00 0.00 C ATOM 1708 O SER A 108 16.042 15.199 4.960 1.00 0.00 O ATOM 1709 CB SER A 108 15.422 17.925 5.769 1.00 0.00 C ATOM 1710 OG SER A 108 15.336 19.335 5.953 1.00 0.00 O ATOM 0 H SER A 108 14.777 17.114 3.232 1.00 0.00 H new ATOM 0 HA SER A 108 17.166 18.237 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 108 14.423 17.519 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 108 15.813 17.464 6.676 1.00 0.00 H new ATOM 0 HG SER A 108 14.755 19.530 6.718 1.00 0.00 H new ATOM 1716 N SER A 109 18.136 15.974 4.594 1.00 0.00 N ATOM 1717 CA SER A 109 18.759 14.666 4.709 1.00 0.00 C ATOM 1718 C SER A 109 20.171 14.808 5.280 1.00 0.00 C ATOM 1719 O SER A 109 20.970 15.600 4.781 1.00 0.00 O ATOM 1720 CB SER A 109 18.803 13.956 3.354 1.00 0.00 C ATOM 1721 OG SER A 109 19.743 12.885 3.343 1.00 0.00 O ATOM 0 H SER A 109 18.783 16.740 4.405 1.00 0.00 H new ATOM 0 HA SER A 109 18.159 14.059 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.812 13.571 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 109 19.063 14.674 2.576 1.00 0.00 H new ATOM 0 HG SER A 109 19.740 12.456 2.462 1.00 0.00 H new ATOM 1727 N GLY A 110 20.437 14.029 6.318 1.00 0.00 N ATOM 1728 CA GLY A 110 21.739 14.058 6.962 1.00 0.00 C ATOM 1729 C GLY A 110 22.424 12.693 6.874 1.00 0.00 C ATOM 1730 O GLY A 110 22.501 11.968 7.865 1.00 0.00 O ATOM 0 H GLY A 110 19.773 13.373 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.366 14.815 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.625 14.345 8.007 1.00 0.00 H new TER 1734 GLY A 110